#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h5b s GLN 2 N 0.00 3.13 -0.23 0.54 0.74 -1.26 -5.10 119.66 117.47 3h5b s GLN 2 Ca 0.00 -0.79 -0.06 0.00 0.05 0.00 0.00 55.36 54.55 3h5b s GLN 2 Cb 0.00 -3.05 -0.02 0.00 1.10 0.00 0.00 33.01 31.04 3h5b s GLN 2 CO 0.00 -0.31 0.03 0.42 -0.55 0.00 0.00 175.29 174.88 3h5b s ILE 3 N 1.42 4.05 0.83 -2.34 1.01 -1.26 -5.10 121.20 119.82 3h5b s ILE 3 Ca 0.03 -0.26 -0.12 0.00 0.00 0.00 0.00 60.65 60.30 3h5b s ILE 3 Cb -0.15 -2.87 0.11 0.00 0.01 0.00 0.00 42.46 39.55 3h5b s ILE 3 CO -0.03 0.37 1.18 0.42 0.00 0.00 0.00 174.94 176.89 3h5b s THR 4 N 1.47 2.05 -0.15 2.92 -4.23 -1.26 -5.01 115.64 111.44 3h5b s THR 4 Ca 0.05 -0.07 0.18 0.00 -1.18 0.00 0.00 61.69 60.67 3h5b s THR 4 Cb -0.15 -2.98 0.34 0.00 1.34 0.00 0.00 72.50 71.05 3h5b s THR 4 CO 0.02 0.00 1.21 0.18 -0.54 0.00 0.00 174.62 175.49 3h5b n LEU 5 N -3.36 2.72 0.16 4.79 4.77 -1.26 -4.55 117.00 120.27 3h5b n LEU 5 Ca 0.10 -3.03 0.06 0.00 -0.03 0.00 0.00 56.01 53.11 3h5b n LEU 5 Cb 0.60 -0.44 0.56 0.00 -2.33 0.00 0.00 43.42 41.81 3h5b n LEU 5 CO 0.52 0.70 1.10 -0.50 -1.33 0.00 0.00 177.39 177.89 3h5b h TRP 6 N 0.46 0.20 -2.36 -1.77 4.06 -2.06 -3.44 115.95 111.04 3h5b h TRP 6 Ca 0.00 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.41 3h5b h TRP 6 Cb 1.09 -0.07 -0.14 0.00 -1.00 0.00 0.00 29.16 29.05 3h5b h TRP 6 CO 0.12 0.12 -0.66 0.15 -3.56 0.00 0.00 178.44 174.61 3h5b s LYS 7 N -5.23 1.68 0.27 0.49 -0.14 -1.26 -5.11 119.74 110.43 3h5b s LYS 7 Ca -0.06 -1.87 -0.31 0.00 -1.36 0.00 0.00 55.97 52.37 3h5b s LYS 7 Cb 0.17 -1.34 -0.12 0.00 -1.68 0.00 0.00 37.83 34.86 3h5b s LYS 7 CO 0.69 0.04 1.56 0.54 -0.76 0.00 0.00 175.35 177.42 3h5b n ARG 8 N -0.69 2.51 -2.10 1.68 1.74 -1.26 -4.86 116.66 113.67 3h5b n ARG 8 Ca -0.05 0.89 -0.42 0.00 -0.77 0.00 0.00 57.85 57.50 3h5b n ARG 8 Cb 0.64 -2.65 0.00 0.00 -1.02 0.00 0.00 32.46 29.43 3h5b n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3h5b n PRO 9 N 2.34 3.03 -3.13 5.56 -0.04 -1.26 -4.95 135.00 136.56 3h5b n PRO 9 Ca 0.10 -2.93 -0.39 0.00 -0.04 0.00 0.00 63.50 60.24 3h5b n PRO 9 Cb 0.35 -3.33 -0.06 0.00 -0.04 0.00 0.00 33.50 30.42 3h5b n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3h5b s LEU 10 N 2.76 4.46 0.15 1.53 1.43 -1.26 -1.14 118.68 126.62 3h5b s LEU 10 Ca 0.49 1.31 0.02 0.00 -1.03 0.00 0.00 54.13 54.92 3h5b s LEU 10 Cb 0.10 -3.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.22 3h5b s LEU 10 CO -0.02 0.12 -0.03 0.68 0.23 0.00 0.00 176.35 177.32 3h5b s VAL 11 N -0.40 0.79 0.03 -1.59 -7.23 0.10 -4.94 120.40 107.16 3h5b s VAL 11 Ca 0.33 -1.99 -0.25 0.00 -1.81 0.00 0.00 61.98 58.27 3h5b s VAL 11 Cb -0.20 -1.98 -0.05 0.00 0.56 0.00 0.00 36.38 34.71 3h5b s VAL 11 CO 0.20 -0.61 0.77 -0.89 -0.31 0.00 0.00 175.10 174.26 3h5b s THR 12 N -3.58 4.77 0.20 5.32 2.01 -1.26 -0.55 115.64 122.56 3h5b s THR 12 Ca 0.20 1.63 0.09 0.00 0.31 0.00 0.00 61.69 63.93 3h5b s THR 12 Cb 0.05 -4.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.40 3h5b s THR 12 CO 0.02 0.34 -0.18 0.27 -0.69 0.00 0.00 174.62 174.38 3h5b s ILE 13 N 0.08 1.99 -0.12 1.82 -4.36 0.57 -0.88 121.20 120.29 3h5b s ILE 13 Ca 0.39 -2.12 0.02 0.00 -0.26 0.00 0.00 60.65 58.67 3h5b s ILE 13 Cb -0.20 -2.03 0.02 0.00 1.25 0.00 0.00 42.46 41.50 3h5b s ILE 13 CO 0.23 -0.40 -0.16 -0.75 0.24 0.00 0.00 174.94 174.09 3h5b s LYS 14 N -3.19 2.41 -0.08 0.37 2.20 0.19 -1.17 119.74 120.47 3h5b s LYS 14 Ca 0.21 -0.62 -0.05 0.00 -0.36 0.00 0.00 55.97 55.15 3h5b s LYS 14 Cb -0.04 -2.05 0.03 0.00 -1.51 0.00 0.00 37.83 34.25 3h5b s LYS 14 CO 0.09 -0.09 0.18 -1.50 -0.36 0.00 0.00 175.35 173.67 3h5b s ILE 15 N 1.07 -0.03 -1.63 5.43 2.07 -0.37 -1.29 121.20 126.45 3h5b s ILE 15 Ca -0.04 0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.30 3h5b s ILE 15 Cb -0.15 -0.28 0.00 0.00 0.13 0.00 0.00 42.46 42.17 3h5b s ILE 15 CO -0.04 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 3h5b n GLY 16 N 3.71 -0.35 2.58 1.50 0.00 -1.26 -0.74 105.19 110.63 3h5b n GLY 16 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3h5b n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5b n GLY 17 N -0.92 0.69 3.39 -0.02 0.00 -1.26 -5.02 105.19 102.04 3h5b n GLY 17 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 3h5b n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h5b s GLN 18 N -0.12 3.12 0.01 1.61 -0.21 0.08 -5.11 119.66 119.04 3h5b s GLN 18 Ca 0.00 -0.70 -0.25 0.00 0.02 0.00 0.00 55.36 54.43 3h5b s GLN 18 Cb 0.00 -2.54 -0.05 0.00 1.00 0.00 0.00 33.01 31.42 3h5b s GLN 18 CO 0.00 0.32 0.77 -0.51 -2.12 0.00 0.00 175.29 173.76 3h5b s LEU 19 N 0.06 4.40 0.07 2.90 1.43 -1.26 -1.24 118.68 125.04 3h5b s LEU 19 Ca -0.05 1.40 -0.03 0.00 -1.03 0.00 0.00 54.13 54.42 3h5b s LEU 19 Cb -0.15 -3.23 -0.03 0.00 0.03 0.00 0.00 46.19 42.81 3h5b s LEU 19 CO 0.04 -0.05 0.03 -0.54 0.23 0.00 0.00 176.35 176.06 3h5b s LYS 20 N 0.31 0.70 -0.06 1.70 1.02 -0.32 -4.99 119.74 118.09 3h5b s LYS 20 Ca 0.40 -1.18 -0.12 0.00 0.02 0.00 0.00 55.97 55.08 3h5b s LYS 20 Cb -0.20 0.24 -0.05 0.00 -0.52 0.00 0.00 37.83 37.31 3h5b s LYS 20 CO 0.22 -0.16 0.31 -1.21 -0.92 0.00 0.00 175.35 173.59 3h5b s GLU 21 N -3.92 3.84 0.04 1.68 0.41 -1.26 -0.32 118.70 119.17 3h5b s GLU 21 Ca 0.08 0.20 -0.08 0.00 -0.41 0.00 0.00 54.97 54.76 3h5b s GLU 21 Cb 0.07 -3.25 -0.00 0.00 -1.78 0.00 0.00 34.13 29.17 3h5b s GLU 21 CO -0.09 0.63 0.16 0.00 -0.49 0.00 0.00 175.26 175.47 3h5b s ALA 22 N -0.78 -0.26 -0.08 5.21 0.00 0.29 -4.46 121.76 121.69 3h5b s ALA 22 Ca 0.20 -0.36 -0.23 0.00 0.00 0.00 0.00 51.96 51.57 3h5b s ALA 22 Cb -0.15 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 3h5b s ALA 22 CO 0.09 -0.33 0.68 -1.17 0.00 0.00 0.00 175.76 175.03 3h5b s LEU 23 N -2.03 4.30 -0.48 0.00 2.96 -0.08 -0.73 118.68 122.63 3h5b s LEU 23 Ca -0.06 1.14 -0.29 0.00 -0.22 0.00 0.00 54.13 54.71 3h5b s LEU 23 Cb -0.02 -3.05 0.03 0.00 0.50 0.00 0.00 46.19 43.65 3h5b s LEU 23 CO -0.04 -0.12 1.20 -0.76 -1.32 0.00 0.00 176.35 175.31 3h5b s LEU 24 N 0.87 3.60 -0.31 -0.68 1.43 -0.29 -0.46 118.68 122.84 3h5b s LEU 24 Ca 0.36 0.49 0.01 0.00 -1.03 0.00 0.00 54.13 53.96 3h5b s LEU 24 Cb -0.17 -3.51 0.10 0.00 0.03 0.00 0.00 46.19 42.64 3h5b s LEU 24 CO 0.17 -1.32 0.07 -0.62 0.23 0.00 0.00 176.35 174.88 3h5b s ASP 25 N 2.81 4.21 0.46 2.29 -1.08 -0.30 -4.81 116.67 120.26 3h5b s ASP 25 Ca 0.50 -1.74 0.31 0.00 -0.52 0.00 0.00 52.55 51.10 3h5b s ASP 25 Cb -0.08 -1.12 1.35 0.00 -1.46 0.00 0.00 42.92 41.61 3h5b s ASP 25 CO 0.31 -0.39 1.93 0.71 0.52 0.00 0.00 175.17 178.25 3h5b h THR 26 N 6.54 0.00 -0.01 1.71 1.35 -1.94 -2.49 112.91 118.08 3h5b h THR 26 Ca -0.11 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 3h5b h THR 26 Cb 1.02 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 3h5b h THR 26 CO 0.48 0.00 -0.02 0.61 -0.25 0.00 0.00 175.52 176.34 3h5b n GLY 27 N -0.15 -0.39 3.53 5.82 0.00 -1.26 -4.82 105.19 107.93 3h5b n GLY 27 Ca 0.01 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 3h5b n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h5b s ALA 28 N -2.05 3.28 0.18 4.61 0.00 -0.94 -4.99 121.76 121.85 3h5b s ALA 28 Ca 0.40 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 51.30 3h5b s ALA 28 Cb 0.21 -2.04 0.08 0.00 0.00 0.00 0.00 23.12 21.37 3h5b s ALA 28 CO 0.36 -0.22 1.66 -0.44 0.00 0.00 0.00 175.76 177.12 3h5b h ASP 29 N 7.61 1.06 -2.62 0.00 3.32 -1.87 0.12 116.42 124.04 3h5b h ASP 29 Ca -0.37 -0.29 -0.56 0.00 0.02 0.00 0.00 57.03 55.83 3h5b h ASP 29 Cb 1.18 -0.28 -0.15 0.00 0.22 0.00 0.00 39.33 40.30 3h5b h ASP 29 CO 0.62 1.09 -0.76 -1.81 -1.72 0.00 0.00 179.24 176.66 3h5b s ASP 30 N -6.54 3.25 -0.06 6.45 1.01 -1.26 -2.54 116.67 116.98 3h5b s ASP 30 Ca -0.12 -1.01 -0.22 0.00 0.71 0.00 0.00 52.55 51.91 3h5b s ASP 30 Cb 0.14 -0.24 -0.04 0.00 1.01 0.00 0.00 42.92 43.78 3h5b s ASP 30 CO 0.86 -0.02 0.63 -0.89 0.21 0.00 0.00 175.17 175.96 3h5b s THR 31 N -2.57 5.03 -0.07 -1.27 2.01 -1.26 -3.60 115.64 113.91 3h5b s THR 31 Ca 0.27 1.30 -0.00 0.00 0.31 0.00 0.00 61.69 63.56 3h5b s THR 31 Cb -0.04 -3.97 0.02 0.00 0.01 0.00 0.00 72.50 68.52 3h5b s THR 31 CO 0.12 0.31 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.64 3h5b s VAL 32 N 0.51 0.58 -0.01 3.82 1.01 -0.29 -0.94 120.40 125.09 3h5b s VAL 32 Ca 0.34 -0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.35 3h5b s VAL 32 Cb -0.17 -0.66 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 3h5b s VAL 32 CO 0.16 0.28 -0.26 -0.63 0.00 0.00 0.00 175.10 174.65 3h5b s ILE 33 N 1.57 2.03 0.79 2.22 -1.09 0.03 -0.53 121.20 126.23 3h5b s ILE 33 Ca -0.00 -1.15 -0.14 0.00 -2.23 0.00 0.00 60.65 57.13 3h5b s ILE 33 Cb -0.13 -1.70 0.05 0.00 -1.58 0.00 0.00 42.46 39.10 3h5b s ILE 33 CO -0.04 0.53 1.05 -0.62 -1.23 0.00 0.00 174.94 174.63 3h5b n GLU 34 N 2.32 0.25 -1.63 2.79 1.02 -1.26 -1.60 120.64 122.53 3h5b n GLU 34 Ca -0.16 0.15 -0.57 0.00 -0.02 0.00 0.00 57.16 56.56 3h5b n GLU 34 Cb 0.51 -2.31 -0.07 0.00 -0.02 0.00 0.00 31.44 29.55 3h5b n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3h5b n GLU 35 N -2.65 0.83 -3.50 3.49 -0.58 -1.17 -4.62 120.64 112.44 3h5b n GLU 35 Ca 0.13 0.30 -0.10 0.00 -0.42 0.00 0.00 57.16 57.07 3h5b n GLU 35 Cb 0.50 -1.92 -0.02 0.00 -0.57 0.00 0.00 31.44 29.44 3h5b n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h5b s MET 36 N 1.69 1.19 0.14 3.49 0.23 -1.26 -5.03 119.30 119.74 3h5b s MET 36 Ca 0.92 -0.48 -0.21 0.00 -1.03 0.00 0.00 55.69 54.90 3h5b s MET 36 Cb -1.11 0.52 -0.07 0.00 -1.53 0.00 0.00 34.83 32.64 3h5b s MET 36 CO 0.59 -0.52 0.66 0.45 -2.03 0.00 0.00 175.02 174.16 3h5b s SER 37 N -2.70 7.13 0.06 -1.18 0.15 -1.26 -5.01 113.70 110.89 3h5b s SER 37 Ca 0.04 1.39 0.05 0.00 0.70 0.00 0.00 55.95 58.12 3h5b s SER 37 Cb -0.01 -2.40 -0.03 0.00 -1.71 0.00 0.00 66.02 61.86 3h5b s SER 37 CO -0.09 0.19 -0.13 -0.76 1.20 0.00 0.00 173.24 173.65 3h5b s LEU 38 N -1.38 2.25 0.67 3.45 1.43 -1.26 -4.95 118.68 118.89 3h5b s LEU 38 Ca 0.35 -0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 52.77 3h5b s LEU 38 Cb -0.19 -0.48 -0.01 0.00 0.03 0.00 0.00 46.19 45.53 3h5b s LEU 38 CO 0.21 -0.07 1.06 -2.16 0.23 0.00 0.00 176.35 175.62 3h5b s PRO 39 N -1.58 3.16 0.35 1.29 0.04 -1.26 -4.95 135.00 132.05 3h5b s PRO 39 Ca -0.02 0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.73 3h5b s PRO 39 Cb -0.09 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.41 3h5b s PRO 39 CO 0.02 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 176.59 3h5b n GLY 40 N -2.59 -2.34 3.83 0.56 0.00 -1.26 -4.97 105.19 98.42 3h5b n GLY 40 Ca 0.07 -1.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.00 3h5b n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h5b s ARG 41 N -0.31 3.71 0.12 1.61 0.52 -1.26 -5.08 118.95 118.25 3h5b s ARG 41 Ca 0.00 1.00 -0.06 0.00 -0.52 0.00 0.00 55.73 56.15 3h5b s ARG 41 Cb 0.00 -2.10 -0.02 0.00 0.52 0.00 0.00 34.95 33.36 3h5b s ARG 41 CO 0.00 -0.47 0.16 1.67 0.02 0.00 0.00 175.30 176.68 3h5b s TRP 42 N -2.64 0.43 0.04 -0.53 1.48 -1.26 -4.42 118.94 112.03 3h5b s TRP 42 Ca 0.60 -0.85 0.01 0.00 -1.06 0.00 0.00 56.10 54.81 3h5b s TRP 42 Cb -0.12 -0.19 -0.02 0.00 -1.16 0.00 0.00 33.47 31.98 3h5b s TRP 42 CO 0.36 -0.57 -0.06 -1.59 -4.06 0.00 0.00 176.95 171.02 3h5b s LYS 43 N -3.94 0.49 0.50 3.25 -2.85 -0.82 -4.92 119.74 111.45 3h5b s LYS 43 Ca 0.13 -0.77 -0.20 0.00 -1.00 0.00 0.00 55.97 54.14 3h5b s LYS 43 Cb 0.05 -0.16 -0.08 0.00 -2.06 0.00 0.00 37.83 35.59 3h5b s LYS 43 CO -0.05 0.01 1.04 -1.25 0.10 0.00 0.00 175.35 175.21 3h5b s PRO 44 N -1.76 3.74 0.02 1.78 0.04 -1.26 -0.30 135.00 137.26 3h5b s PRO 44 Ca -0.10 1.33 -0.13 0.00 0.04 0.00 0.00 61.00 62.15 3h5b s PRO 44 Cb -0.08 -2.09 0.02 0.00 0.04 0.00 0.00 34.50 32.38 3h5b s PRO 44 CO -0.01 -0.48 0.27 0.21 0.04 0.00 0.00 177.00 177.04 3h5b s LYS 45 N -3.36 0.71 -0.06 4.56 2.20 -0.52 -4.85 119.74 118.42 3h5b s LYS 45 Ca 0.67 -0.41 0.05 0.00 -0.36 0.00 0.00 55.97 55.92 3h5b s LYS 45 Cb -0.16 0.31 -0.02 0.00 -1.51 0.00 0.00 37.83 36.45 3h5b s LYS 45 CO 0.22 -0.21 -0.21 -1.64 -0.36 0.00 0.00 175.35 173.16 3h5b s MET 46 N -2.02 2.61 0.05 4.03 -1.94 -1.26 -0.63 119.30 120.15 3h5b s MET 46 Ca -0.09 -0.83 0.06 0.00 -1.71 0.00 0.00 55.69 53.13 3h5b s MET 46 Cb -0.03 -2.27 -0.03 0.00 2.01 0.00 0.00 34.83 34.52 3h5b s MET 46 CO -0.00 0.44 -0.18 0.96 -0.01 0.00 0.00 175.02 176.22 3h5b s ILE 47 N -0.28 1.45 0.07 2.53 -4.36 -0.67 -4.97 121.20 114.96 3h5b s ILE 47 Ca 0.00 -1.20 0.05 0.00 -0.26 0.00 0.00 60.65 59.25 3h5b s ILE 47 Cb -0.13 -1.29 -0.03 0.00 1.25 0.00 0.00 42.46 42.26 3h5b s ILE 47 CO 0.03 0.06 -0.13 -0.83 0.24 0.00 0.00 174.94 174.31 3h5b s GLY 48 N -1.32 0.82 0.00 6.27 0.00 -1.26 -0.92 107.32 110.90 3h5b s GLY 48 Ca 0.05 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.79 3h5b s GLY 48 CO 0.02 -1.01 0.00 0.61 0.00 0.00 0.00 173.10 172.72 3h5b n GLY 49 N 1.26 3.55 3.74 0.20 0.00 -0.37 -4.97 105.19 108.61 3h5b n GLY 49 Ca -0.21 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 3h5b n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h5b s ILE 50 N -1.40 2.49 0.00 -0.61 1.01 -1.26 -1.49 121.20 119.94 3h5b s ILE 50 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.06 3h5b s ILE 50 Cb 0.00 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.21 3h5b s ILE 50 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.61 3h5b n GLY 51 N 2.30 1.18 0.00 6.18 0.00 -1.26 -4.93 105.19 108.66 3h5b n GLY 51 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3h5b n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5b n GLY 52 N -2.00 -0.19 3.73 -0.02 0.00 -0.56 -5.05 105.19 101.10 3h5b n GLY 52 Ca 0.00 -2.10 -0.28 0.00 0.00 0.00 0.00 46.02 43.64 3h5b n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h5b s PHE 53 N 0.00 3.04 0.11 1.61 0.40 -1.26 -1.24 117.98 120.65 3h5b s PHE 53 Ca 0.00 -0.03 0.07 0.00 -0.60 0.00 0.00 56.93 56.37 3h5b s PHE 53 Cb 0.00 -1.51 -0.04 0.00 0.51 0.00 0.00 43.02 41.98 3h5b s PHE 53 CO 0.00 0.51 -0.18 0.96 0.70 0.00 0.00 175.22 177.21 3h5b s ILE 54 N -1.53 1.56 -0.04 0.64 -4.36 -0.10 -4.97 121.20 112.40 3h5b s ILE 54 Ca 0.28 -1.62 -0.20 0.00 -0.26 0.00 0.00 60.65 58.86 3h5b s ILE 54 Cb -0.11 -1.53 -0.05 0.00 1.25 0.00 0.00 42.46 42.02 3h5b s ILE 54 CO 0.20 -0.21 0.57 -0.75 0.24 0.00 0.00 174.94 174.99 3h5b s LYS 55 N -2.22 4.31 0.23 0.37 2.20 -1.26 -1.68 119.74 121.70 3h5b s LYS 55 Ca 0.07 0.66 0.04 0.00 -0.36 0.00 0.00 55.97 56.38 3h5b s LYS 55 Cb -0.08 -3.37 -0.05 0.00 -1.51 0.00 0.00 37.83 32.82 3h5b s LYS 55 CO 0.04 0.31 -0.01 0.14 -0.36 0.00 0.00 175.35 175.47 3h5b s VAL 56 N 0.04 1.07 -0.22 4.02 -7.23 0.20 -4.42 120.40 113.86 3h5b s VAL 56 Ca 0.30 -2.04 -0.10 0.00 -1.81 0.00 0.00 61.98 58.34 3h5b s VAL 56 Cb -0.17 -2.33 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 3h5b s VAL 56 CO 0.15 -0.34 0.13 -0.13 -0.31 0.00 0.00 175.10 174.61 3h5b s ARG 57 N -3.85 4.04 -0.32 4.82 0.52 0.24 -1.43 118.95 122.96 3h5b s ARG 57 Ca 0.28 -0.29 -0.16 0.00 -0.52 0.00 0.00 55.73 55.04 3h5b s ARG 57 Cb 0.05 -3.43 -0.02 0.00 0.52 0.00 0.00 34.95 32.08 3h5b s ARG 57 CO 0.09 0.14 0.40 -1.14 0.02 0.00 0.00 175.30 174.81 3h5b s GLN 58 N 0.81 3.71 -0.16 3.54 0.74 0.59 -0.69 119.66 128.20 3h5b s GLN 58 Ca 0.07 -0.22 -0.03 0.00 0.05 0.00 0.00 55.36 55.23 3h5b s GLN 58 Cb -0.13 -3.76 -0.02 0.00 1.10 0.00 0.00 33.01 30.20 3h5b s GLN 58 CO 0.02 -0.48 -0.06 0.71 -0.55 0.00 0.00 175.29 174.93 3h5b s TYR 59 N 2.13 2.96 0.24 1.67 1.51 -0.32 -1.94 117.35 123.61 3h5b s TYR 59 Ca 0.14 -0.45 0.03 0.00 -1.01 0.00 0.00 57.07 55.79 3h5b s TYR 59 Cb -0.16 -1.94 -0.03 0.00 -0.11 0.00 0.00 41.96 39.71 3h5b s TYR 59 CO 0.12 -0.13 0.39 -0.51 -1.11 0.00 0.00 175.55 174.30 3h5b s ASP 60 N 0.47 6.33 -1.22 2.29 1.01 -1.26 -1.09 116.67 123.20 3h5b s ASP 60 Ca -0.05 0.19 -0.04 0.00 0.71 0.00 0.00 52.55 53.36 3h5b s ASP 60 Cb -0.15 -1.92 -0.01 0.00 1.01 0.00 0.00 42.92 41.85 3h5b s ASP 60 CO 0.03 -0.09 0.81 0.00 0.21 0.00 0.00 175.17 176.13 3h5b n GLN 61 N -1.27 -4.26 -4.18 8.23 6.02 -1.14 -4.92 117.38 115.87 3h5b n GLN 61 Ca -0.07 0.69 -0.35 0.00 -0.01 0.00 0.00 57.00 57.26 3h5b n GLN 61 Cb 0.56 -5.28 -0.10 0.00 1.02 0.00 0.00 30.24 26.44 3h5b n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3h5b s ILE 62 N -3.53 4.51 -0.08 5.09 -1.09 -0.00 -4.83 121.20 121.26 3h5b s ILE 62 Ca 0.15 -0.15 -0.18 0.00 -2.23 0.00 0.00 60.65 58.24 3h5b s ILE 62 Cb -0.03 -2.98 -0.05 0.00 -1.58 0.00 0.00 42.46 37.82 3h5b s ILE 62 CO 0.79 0.51 0.50 -0.63 -1.23 0.00 0.00 174.94 174.88 3h5b s ILE 63 N -0.00 5.11 -0.03 2.92 1.01 -1.26 -1.50 121.20 127.45 3h5b s ILE 63 Ca 0.04 1.01 0.04 0.00 0.00 0.00 0.00 60.65 61.74 3h5b s ILE 63 Cb -0.13 -3.83 -0.00 0.00 0.01 0.00 0.00 42.46 38.51 3h5b s ILE 63 CO 0.01 0.37 -0.14 -0.63 0.00 0.00 0.00 174.94 174.56 3h5b s ILE 64 N 0.27 1.13 -0.26 2.92 1.01 -0.21 -4.50 121.20 121.56 3h5b s ILE 64 Ca 0.27 -0.57 -0.14 0.00 0.00 0.00 0.00 60.65 60.21 3h5b s ILE 64 Cb -0.16 -0.97 -0.04 0.00 0.01 0.00 0.00 42.46 41.30 3h5b s ILE 64 CO 0.12 0.33 0.32 -0.70 0.00 0.00 0.00 174.94 175.02 3h5b s GLU 65 N -0.03 4.02 -0.25 2.79 2.12 -0.41 -0.99 118.70 125.95 3h5b s GLU 65 Ca -0.01 -0.04 0.02 0.00 0.36 0.00 0.00 54.97 55.31 3h5b s GLU 65 Cb -0.09 -3.64 0.05 0.00 0.26 0.00 0.00 34.13 30.72 3h5b s GLU 65 CO 0.01 -0.21 -0.11 0.42 -0.54 0.00 0.00 175.26 174.82 3h5b s ILE 66 N 1.86 2.22 -1.67 -3.70 1.01 0.42 -0.64 121.20 120.71 3h5b s ILE 66 Ca 0.13 -1.54 -0.14 0.00 0.00 0.00 0.00 60.65 59.10 3h5b s ILE 66 Cb -0.16 -2.26 0.13 0.00 0.01 0.00 0.00 42.46 40.18 3h5b s ILE 66 CO 0.10 0.03 0.63 0.00 0.00 0.00 0.00 174.94 175.69 3h5b n ALA 67 N 4.47 -1.45 -0.84 9.38 0.00 -0.06 -0.79 120.51 131.21 3h5b n ALA 67 Ca -0.15 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3h5b n ALA 67 Cb 0.43 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 17.12 3h5b n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h5b n GLY 68 N -1.56 0.69 3.29 0.00 0.00 -1.26 -5.04 105.19 101.32 3h5b n GLY 68 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3h5b n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h5b s HIS 69 N -2.56 2.85 0.21 1.61 4.02 0.03 -5.10 115.29 116.35 3h5b s HIS 69 Ca 0.00 -0.97 -0.25 0.00 1.02 0.00 0.00 55.06 54.85 3h5b s HIS 69 Cb 0.00 -1.96 -0.08 0.00 -1.02 0.00 0.00 32.58 29.52 3h5b s HIS 69 CO 0.00 -0.47 0.82 0.15 1.02 0.00 0.00 174.74 176.26 3h5b s LYS 70 N 0.99 4.57 0.04 1.40 1.02 -1.26 -0.44 119.74 126.06 3h5b s LYS 70 Ca -0.01 1.19 -0.01 0.00 0.02 0.00 0.00 55.97 57.16 3h5b s LYS 70 Cb -0.15 -3.13 -0.03 0.00 -0.52 0.00 0.00 37.83 34.00 3h5b s LYS 70 CO -0.01 0.49 -0.02 0.00 -0.92 0.00 0.00 175.35 174.89 3h5b s ALA 71 N -1.29 0.36 0.02 5.17 0.00 -0.16 -4.85 121.76 121.00 3h5b s ALA 71 Ca 0.40 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.41 3h5b s ALA 71 Cb -0.22 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 3h5b s ALA 71 CO 0.26 -0.31 -0.13 -1.50 0.00 0.00 0.00 175.76 174.08 3h5b s ILE 72 N -3.17 1.01 -0.97 0.00 2.07 -1.26 -1.04 121.20 117.83 3h5b s ILE 72 Ca -0.00 -0.76 0.00 0.00 -1.41 0.00 0.00 60.65 58.48 3h5b s ILE 72 Cb 0.02 -0.88 0.00 0.00 0.13 0.00 0.00 42.46 41.73 3h5b s ILE 72 CO -0.07 0.12 0.00 0.61 -1.91 0.00 0.00 174.94 173.68 3h5b n GLY 73 N 2.31 -1.05 3.75 1.50 0.00 -0.56 -4.92 105.19 106.21 3h5b n GLY 73 Ca -0.16 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.63 3h5b n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h5b s THR 74 N -3.00 4.26 -0.08 2.61 2.01 -1.26 -0.82 115.64 119.36 3h5b s THR 74 Ca 0.00 2.02 0.03 0.00 0.31 0.00 0.00 61.69 64.05 3h5b s THR 74 Cb 0.00 -4.30 0.01 0.00 0.01 0.00 0.00 72.50 68.22 3h5b s THR 74 CO 0.00 0.44 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.51 3h5b s VAL 75 N -0.77 1.55 -0.09 3.82 1.01 -0.25 -4.48 120.40 121.19 3h5b s VAL 75 Ca 0.42 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 3h5b s VAL 75 Cb -0.25 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 3h5b s VAL 75 CO 0.30 0.45 0.29 -0.76 0.00 0.00 0.00 175.10 175.37 3h5b s LEU 76 N 0.47 4.37 -0.11 3.92 1.43 -0.11 -1.17 118.68 127.47 3h5b s LEU 76 Ca -0.15 0.66 0.02 0.00 -1.03 0.00 0.00 54.13 53.63 3h5b s LEU 76 Cb -0.16 -2.35 0.01 0.00 0.03 0.00 0.00 46.19 43.71 3h5b s LEU 76 CO 0.06 0.28 -0.18 -0.69 0.23 0.00 0.00 176.35 176.04 3h5b s VAL 77 N -0.55 1.70 -0.17 -1.59 1.01 0.13 -0.79 120.40 120.14 3h5b s VAL 77 Ca 0.19 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.39 3h5b s VAL 77 Cb -0.14 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.71 3h5b s VAL 77 CO 0.07 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.26 3h5b n GLY 78 N 4.06 -1.23 2.26 4.51 0.00 -0.62 -0.59 105.19 113.57 3h5b n GLY 78 Ca -0.20 -0.84 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 3h5b n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h5b n PRO 79 N -0.00 3.36 -2.66 1.61 -0.04 -1.26 -3.04 135.00 132.96 3h5b n PRO 79 Ca 0.00 -2.05 -0.39 0.00 -0.04 0.00 0.00 63.50 61.02 3h5b n PRO 79 Cb 0.00 -2.58 -0.05 0.00 -0.04 0.00 0.00 33.50 30.83 3h5b n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3h5b s THR 80 N 1.46 3.91 -0.28 0.52 -1.32 -1.26 -4.96 115.64 113.70 3h5b s THR 80 Ca 0.68 1.80 0.27 0.00 -1.21 0.00 0.00 61.69 63.22 3h5b s THR 80 Cb 0.22 -4.10 0.29 0.00 -1.51 0.00 0.00 72.50 67.40 3h5b s THR 80 CO -0.05 0.34 1.80 -0.65 -2.21 0.00 0.00 174.62 173.84 3h5b h PRO 81 N 3.68 0.00 -3.20 7.08 0.11 -1.99 -3.43 132.00 134.25 3h5b h PRO 81 Ca -0.46 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.52 3h5b h PRO 81 Cb 1.20 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.10 3h5b h PRO 81 CO 0.66 0.00 -0.37 0.14 -0.21 0.00 0.00 178.00 178.23 3h5b s VAL 82 N -3.45 0.06 0.11 3.15 -7.23 -1.26 -5.10 120.40 106.68 3h5b s VAL 82 Ca 0.03 -0.48 -0.30 0.00 -1.81 0.00 0.00 61.98 59.42 3h5b s VAL 82 Cb 0.09 -0.52 -0.06 0.00 0.56 0.00 0.00 36.38 36.45 3h5b s VAL 82 CO 0.42 -0.26 1.09 0.20 -0.31 0.00 0.00 175.10 176.24 3h5b s ASN 83 N -1.12 7.26 -0.15 4.85 0.01 -1.26 -4.71 114.94 119.82 3h5b s ASN 83 Ca -0.12 1.97 0.00 0.00 -0.71 0.00 0.00 52.86 54.00 3h5b s ASN 83 Cb -0.06 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.04 3h5b s ASN 83 CO 0.03 -0.27 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.56 3h5b s ILE 84 N 0.33 1.62 -0.38 0.60 1.01 0.32 -0.90 121.20 123.79 3h5b s ILE 84 Ca 0.52 -0.66 -0.18 0.00 0.00 0.00 0.00 60.65 60.32 3h5b s ILE 84 Cb -0.27 -1.51 0.01 0.00 0.01 0.00 0.00 42.46 40.69 3h5b s ILE 84 CO 0.32 0.47 0.53 -0.63 0.00 0.00 0.00 174.94 175.62 3h5b s ILE 85 N 1.44 4.99 0.45 2.92 -1.09 0.39 -1.13 121.20 129.16 3h5b s ILE 85 Ca 0.04 0.19 0.05 0.00 -2.23 0.00 0.00 60.65 58.70 3h5b s ILE 85 Cb -0.13 -4.03 0.08 0.00 -1.58 0.00 0.00 42.46 36.80 3h5b s ILE 85 CO -0.10 -0.33 0.62 0.61 -1.23 0.00 0.00 174.94 174.51 3h5b n GLY 86 N 4.89 1.66 0.30 6.18 0.00 -1.24 -1.14 105.19 115.85 3h5b n GLY 86 Ca -0.04 -2.16 0.07 0.00 0.00 0.00 0.00 46.02 43.89 3h5b n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3h5b h ARG 87 N 0.00 0.32 -0.04 1.61 3.08 -0.75 -1.07 114.38 117.53 3h5b h ARG 87 Ca -0.21 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 59.84 3h5b h ARG 87 Cb 0.90 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.88 3h5b h ARG 87 CO 0.28 0.21 0.04 -2.95 -1.07 0.00 0.00 179.97 176.48 3h5b h ASN 88 N 0.33 0.00 0.00 7.04 -1.07 -1.75 -1.58 115.58 118.55 3h5b h ASN 88 Ca 0.12 0.00 -0.26 0.00 0.07 0.00 0.00 56.30 56.24 3h5b h ASN 88 Cb 0.08 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.28 3h5b h ASN 88 CO -0.03 0.00 -2.10 0.18 0.07 0.00 0.00 177.43 175.55 3h5b n LEU 89 N -4.08 0.00 -0.20 6.14 4.77 -0.67 -4.46 117.00 118.49 3h5b n LEU 89 Ca -0.02 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.97 3h5b n LEU 89 Cb 0.13 0.35 0.26 0.00 -2.33 0.00 0.00 43.42 41.83 3h5b n LEU 89 CO 0.30 0.35 1.24 -0.07 -1.33 0.00 0.00 177.39 177.87 3h5b h LEU 90 N 0.00 0.83 -1.45 2.23 3.38 -0.84 -1.58 115.31 117.88 3h5b h LEU 90 Ca -0.38 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3h5b h LEU 90 Cb 1.84 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.35 3h5b h LEU 90 CO 0.02 0.60 0.34 0.71 0.09 0.00 0.00 178.44 180.20 3h5b h THR 91 N 0.98 1.14 0.00 0.22 1.35 -1.52 -1.84 112.91 113.24 3h5b h THR 91 Ca 0.27 -0.28 -0.06 0.00 -0.55 0.00 0.00 66.41 65.79 3h5b h THR 91 Cb -0.09 0.37 -0.01 0.00 -1.73 0.00 0.00 68.15 66.68 3h5b h THR 91 CO -0.06 0.14 -0.30 1.56 -0.25 0.00 0.00 175.52 176.61 3h5b h GLN 92 N 0.73 0.00 -0.26 4.72 1.08 -1.50 -1.70 115.11 118.18 3h5b h GLN 92 Ca 0.20 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 3h5b h GLN 92 Cb -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 3h5b h GLN 92 CO -0.04 0.30 0.00 0.44 -0.95 0.00 0.00 178.83 178.58 3h5b n ILE 93 N -3.40 0.32 -2.20 2.54 -5.35 -1.08 -4.96 119.36 105.24 3h5b n ILE 93 Ca 0.00 -0.54 -0.06 0.00 -0.27 0.00 0.00 62.75 61.88 3h5b n ILE 93 Cb 0.50 0.75 0.00 0.00 -1.74 0.00 0.00 39.64 39.15 3h5b n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h5b n GLY 94 N 1.33 0.15 3.74 3.28 0.00 -0.64 -5.01 105.19 108.04 3h5b n GLY 94 Ca 0.18 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 3h5b n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h5b s ALA 95 N -2.41 3.33 0.11 4.61 0.00 -0.71 -5.04 121.76 121.65 3h5b s ALA 95 Ca 0.02 0.71 0.03 0.00 0.00 0.00 0.00 51.96 52.73 3h5b s ALA 95 Cb -0.01 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 3h5b s ALA 95 CO 0.03 -0.05 -0.09 0.95 0.00 0.00 0.00 175.76 176.59 3h5b s THR 96 N -0.53 0.94 -0.21 0.00 -4.23 -1.26 -4.73 115.64 105.62 3h5b s THR 96 Ca 0.46 -1.79 -0.10 0.00 -1.18 0.00 0.00 61.69 59.08 3h5b s THR 96 Cb -0.27 -1.52 -0.05 0.00 1.34 0.00 0.00 72.50 71.99 3h5b s THR 96 CO 0.34 -0.66 0.13 -0.76 -0.54 0.00 0.00 174.62 173.13 3h5b s LEU 97 N -2.71 4.17 -0.07 4.79 1.43 -1.26 -5.09 118.68 119.94 3h5b s LEU 97 Ca 0.09 0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 3h5b s LEU 97 Cb -0.00 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 44.14 3h5b s LEU 97 CO -0.01 0.16 -0.13 0.20 0.23 0.00 0.00 176.35 176.80 3h5b s ASN 98 N 0.51 1.89 0.00 2.29 0.01 -1.26 -5.30 114.94 113.08 3h5b s ASN 98 Ca 0.08 -0.32 0.00 0.00 -0.71 0.00 0.00 52.86 51.91 3h5b s ASN 98 Cb -0.12 -0.86 0.00 0.00 0.41 0.00 0.00 41.25 40.68 3h5b s ASN 98 CO -0.01 0.05 0.00 2.22 -1.51 0.00 0.00 177.10 177.85