#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2avo s GLN 2 N 0.00 1.92 -0.13 -0.52 0.74 -1.26 -5.11 119.66 115.31 2avo s GLN 2 Ca 0.00 -0.75 0.01 0.00 0.05 0.00 0.00 55.36 54.67 2avo s GLN 2 Cb 0.00 -1.75 0.02 0.00 1.10 0.00 0.00 33.01 32.38 2avo s GLN 2 CO 0.00 0.39 -0.15 0.42 -0.55 0.00 0.00 175.29 175.39 2avo s ILE 3 N -0.28 1.58 0.82 -2.34 1.01 -1.26 -5.13 121.20 115.60 2avo s ILE 3 Ca 0.02 -0.67 -0.12 0.00 0.00 0.00 0.00 60.65 59.89 2avo s ILE 3 Cb -0.10 -1.46 0.10 0.00 0.01 0.00 0.00 42.46 41.01 2avo s ILE 3 CO 0.01 0.46 1.18 0.42 0.00 0.00 0.00 174.94 177.01 2avo s THR 4 N 1.18 2.04 -0.17 2.92 -4.23 -1.26 -5.03 115.64 111.09 2avo s THR 4 Ca -0.02 -0.04 0.14 0.00 -1.18 0.00 0.00 61.69 60.59 2avo s THR 4 Cb -0.14 -2.99 0.28 0.00 1.34 0.00 0.00 72.50 70.99 2avo s THR 4 CO -0.06 0.00 1.18 0.18 -0.54 0.00 0.00 174.62 175.39 2avo n LEU 5 N -3.34 2.63 -0.12 4.79 4.77 -1.26 -4.61 117.00 119.87 2avo n LEU 5 Ca 0.09 -2.78 0.03 0.00 -0.03 0.00 0.00 56.01 53.33 2avo n LEU 5 Cb 0.61 -0.35 0.34 0.00 -2.33 0.00 0.00 43.42 41.69 2avo n LEU 5 CO 0.54 0.66 1.20 -0.50 -1.33 0.00 0.00 177.39 177.97 2avo h TRP 6 N 0.51 0.73 -2.62 -1.77 4.06 -2.07 -3.43 115.95 111.36 2avo h TRP 6 Ca 0.00 0.02 -0.50 0.00 2.06 0.00 0.00 58.89 60.47 2avo h TRP 6 Cb 0.97 -0.25 -0.14 0.00 -1.00 0.00 0.00 29.16 28.74 2avo h TRP 6 CO 0.12 0.44 -0.65 -1.59 -3.56 0.00 0.00 178.44 173.20 2avo s LYS 7 N -5.67 1.61 0.19 0.49 -2.85 -1.26 -5.11 119.74 107.14 2avo s LYS 7 Ca -0.10 -1.84 -0.33 0.00 -1.00 0.00 0.00 55.97 52.71 2avo s LYS 7 Cb 0.18 -1.12 -0.14 0.00 -2.06 0.00 0.00 37.83 34.69 2avo s LYS 7 CO 0.76 -0.02 1.42 0.54 0.10 0.00 0.00 175.35 178.14 2avo n ARG 8 N -0.64 1.85 -2.64 1.78 1.74 -1.26 -4.85 116.66 112.64 2avo n ARG 8 Ca -0.05 0.66 -0.43 0.00 -0.77 0.00 0.00 57.85 57.27 2avo n ARG 8 Cb 0.64 -2.33 -0.01 0.00 -1.02 0.00 0.00 32.46 29.74 2avo n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2avo s PRO 9 N 0.09 3.86 -0.08 5.56 0.04 -1.26 -4.96 135.00 138.24 2avo s PRO 9 Ca 0.74 -1.79 -0.12 0.00 0.04 0.00 0.00 61.00 59.87 2avo s PRO 9 Cb -0.72 -5.39 -0.05 0.00 0.04 0.00 0.00 34.50 28.38 2avo s PRO 9 CO 0.46 -2.15 0.28 -0.51 0.04 0.00 0.00 177.00 175.12 2avo s LEU 10 N 4.04 4.40 0.19 -3.56 1.43 -1.26 -1.31 118.68 122.60 2avo s LEU 10 Ca 0.49 0.68 0.03 0.00 -1.03 0.00 0.00 54.13 54.30 2avo s LEU 10 Cb 0.01 -2.34 -0.05 0.00 0.03 0.00 0.00 46.19 43.84 2avo s LEU 10 CO 0.01 0.31 -0.02 0.68 0.23 0.00 0.00 176.35 177.56 2avo s VAL 11 N -0.76 0.89 0.07 -1.59 -7.23 0.07 -4.93 120.40 106.92 2avo s VAL 11 Ca 0.19 -2.01 -0.24 0.00 -1.81 0.00 0.00 61.98 58.11 2avo s VAL 11 Cb -0.14 -2.15 -0.06 0.00 0.56 0.00 0.00 36.38 34.59 2avo s VAL 11 CO 0.08 -0.47 0.72 -0.89 -0.31 0.00 0.00 175.10 174.22 2avo s THR 12 N -3.51 4.68 0.27 5.32 2.01 -1.26 -0.76 115.64 122.39 2avo s THR 12 Ca 0.24 1.54 0.10 0.00 0.31 0.00 0.00 61.69 63.87 2avo s THR 12 Cb 0.05 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.44 2avo s THR 12 CO 0.05 0.43 -0.15 0.27 -0.69 0.00 0.00 174.62 174.53 2avo s ILE 13 N -0.45 2.13 -0.09 1.82 -4.36 0.72 -1.12 121.20 119.85 2avo s ILE 13 Ca 0.36 -2.28 0.02 0.00 -0.26 0.00 0.00 60.65 58.48 2avo s ILE 13 Cb -0.21 -2.33 0.01 0.00 1.25 0.00 0.00 42.46 41.19 2avo s ILE 13 CO 0.22 -0.39 -0.14 -0.75 0.24 0.00 0.00 174.94 174.12 2avo s LYS 14 N -3.59 2.01 -0.13 0.37 2.20 -0.02 -1.24 119.74 119.33 2avo s LYS 14 Ca 0.29 -0.49 -0.08 0.00 -0.36 0.00 0.00 55.97 55.32 2avo s LYS 14 Cb -0.01 -1.70 0.05 0.00 -1.51 0.00 0.00 37.83 34.65 2avo s LYS 14 CO 0.13 -0.03 0.33 -1.50 -0.36 0.00 0.00 175.35 173.91 2avo s ILE 15 N 0.89 -0.03 -1.88 5.43 2.07 -0.43 -1.28 121.20 125.98 2avo s ILE 15 Ca -0.09 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 2avo s ILE 15 Cb -0.15 -0.49 0.00 0.00 0.13 0.00 0.00 42.46 41.95 2avo s ILE 15 CO 0.00 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.68 2avo n GLY 16 N 3.93 0.19 2.00 1.50 0.00 -1.26 -1.19 105.19 110.37 2avo n GLY 16 Ca -0.22 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.80 2avo n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2avo n GLY 17 N -0.83 0.48 3.29 -0.02 0.00 -1.26 -5.04 105.19 101.81 2avo n GLY 17 Ca -0.23 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 2avo n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2avo s GLN 18 N -0.32 1.77 -0.00 1.61 -0.21 -0.33 -5.13 119.66 117.04 2avo s GLN 18 Ca 0.00 -0.96 -0.19 0.00 0.02 0.00 0.00 55.36 54.23 2avo s GLN 18 Cb 0.00 -1.83 -0.06 0.00 1.00 0.00 0.00 33.01 32.12 2avo s GLN 18 CO 0.00 0.48 0.53 -0.51 -2.12 0.00 0.00 175.29 173.68 2avo s LEU 19 N -0.94 4.43 0.13 2.90 1.43 -1.26 -1.31 118.68 124.07 2avo s LEU 19 Ca 0.10 1.09 -0.03 0.00 -1.03 0.00 0.00 54.13 54.26 2avo s LEU 19 Cb -0.09 -2.81 -0.03 0.00 0.03 0.00 0.00 46.19 43.28 2avo s LEU 19 CO 0.01 0.17 0.11 -0.54 0.23 0.00 0.00 176.35 176.33 2avo s LYS 20 N -0.47 0.96 -0.11 1.70 1.02 -0.37 -4.99 119.74 117.47 2avo s LYS 20 Ca 0.28 -1.35 -0.07 0.00 0.02 0.00 0.00 55.97 54.85 2avo s LYS 20 Cb -0.18 0.28 -0.04 0.00 -0.52 0.00 0.00 37.83 37.37 2avo s LYS 20 CO 0.16 -0.29 0.16 -1.21 -0.92 0.00 0.00 175.35 173.24 2avo s GLU 21 N -4.02 3.47 0.03 1.68 0.41 -1.26 -0.20 118.70 118.82 2avo s GLU 21 Ca 0.21 -0.10 -0.07 0.00 -0.41 0.00 0.00 54.97 54.60 2avo s GLU 21 Cb 0.06 -3.19 -0.00 0.00 -1.78 0.00 0.00 34.13 29.22 2avo s GLU 21 CO 0.00 0.77 0.13 0.00 -0.49 0.00 0.00 175.26 175.68 2avo s ALA 22 N -1.02 -0.21 -0.14 5.21 0.00 0.06 -4.37 121.76 121.29 2avo s ALA 22 Ca 0.15 -0.39 -0.17 0.00 0.00 0.00 0.00 51.96 51.55 2avo s ALA 22 Cb -0.12 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 2avo s ALA 22 CO 0.05 -0.31 0.45 -1.17 0.00 0.00 0.00 175.76 174.77 2avo s LEU 23 N -1.97 4.25 -0.46 0.00 2.96 0.30 -0.75 118.68 123.02 2avo s LEU 23 Ca -0.07 0.74 -0.29 0.00 -0.22 0.00 0.00 54.13 54.29 2avo s LEU 23 Cb -0.02 -2.64 0.03 0.00 0.50 0.00 0.00 46.19 44.06 2avo s LEU 23 CO -0.03 -0.00 1.16 -0.63 -1.32 0.00 0.00 176.35 175.52 2avo s ILE 24 N 0.72 4.21 -0.36 6.68 -1.09 -0.43 -0.63 121.20 130.30 2avo s ILE 24 Ca 0.24 1.25 0.02 0.00 -2.23 0.00 0.00 60.65 59.93 2avo s ILE 24 Cb -0.15 -4.55 0.11 0.00 -1.58 0.00 0.00 42.46 36.29 2avo s ILE 24 CO 0.09 -0.94 0.12 -0.62 -1.23 0.00 0.00 174.94 172.36 2avo s ASP 25 N 2.51 4.28 0.59 3.58 -1.08 -0.36 -4.78 116.67 121.41 2avo s ASP 25 Ca 0.49 -2.11 0.38 0.00 -0.52 0.00 0.00 52.55 50.79 2avo s ASP 25 Cb -0.08 -1.25 1.75 0.00 -1.46 0.00 0.00 42.92 41.88 2avo s ASP 25 CO 0.30 -0.36 2.12 0.71 0.52 0.00 0.00 175.17 178.46 2avo h THR 26 N 6.26 0.00 0.00 1.71 1.35 -1.94 -2.52 112.91 117.77 2avo h THR 26 Ca -0.08 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2avo h THR 26 Cb 0.99 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 2avo h THR 26 CO 0.51 0.00 -0.09 0.61 -0.25 0.00 0.00 175.52 176.31 2avo n GLY 27 N -0.36 -1.60 3.67 5.82 0.00 -1.26 -4.82 105.19 106.65 2avo n GLY 27 Ca -0.01 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 2avo n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2avo s ALA 28 N -3.07 3.53 0.25 4.61 0.00 -0.95 -4.96 121.76 121.17 2avo s ALA 28 Ca 0.11 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 51.77 2avo s ALA 28 Cb 0.15 -2.81 0.31 0.00 0.00 0.00 0.00 23.12 20.76 2avo s ALA 28 CO 0.59 -0.38 1.61 -0.44 0.00 0.00 0.00 175.76 177.15 2avo h ASP 29 N 7.33 0.35 -2.25 0.00 3.32 -1.87 0.29 116.42 123.59 2avo h ASP 29 Ca -0.35 -0.17 -0.58 0.00 0.02 0.00 0.00 57.03 55.95 2avo h ASP 29 Cb 1.16 -0.10 -0.14 0.00 0.22 0.00 0.00 39.33 40.47 2avo h ASP 29 CO 0.75 0.79 -0.68 -1.81 -1.72 0.00 0.00 179.24 176.57 2avo s ASP 30 N -6.88 3.43 -0.19 6.45 1.01 -1.26 -2.90 116.67 116.32 2avo s ASP 30 Ca -0.05 -1.19 -0.07 0.00 0.71 0.00 0.00 52.55 51.95 2avo s ASP 30 Cb 0.12 -0.29 -0.04 0.00 1.01 0.00 0.00 42.92 43.73 2avo s ASP 30 CO 0.80 -0.24 0.05 -0.89 0.21 0.00 0.00 175.17 175.09 2avo s THR 31 N -2.73 4.53 -0.13 -1.27 2.01 -1.26 -3.32 115.64 113.47 2avo s THR 31 Ca 0.32 -0.12 -0.00 0.00 0.31 0.00 0.00 61.69 62.19 2avo s THR 31 Cb 0.03 -3.05 0.03 0.00 0.01 0.00 0.00 72.50 69.52 2avo s THR 31 CO 0.15 0.44 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.74 2avo s VAL 32 N 0.64 1.17 -0.05 3.82 1.01 -0.26 -0.90 120.40 125.82 2avo s VAL 32 Ca 0.02 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.63 2avo s VAL 32 Cb -0.13 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 2avo s VAL 32 CO 0.02 0.37 -0.14 -0.63 0.00 0.00 0.00 175.10 174.71 2avo s ILE 33 N 1.65 3.07 0.63 2.22 -1.09 0.50 -0.34 121.20 127.84 2avo s ILE 33 Ca 0.05 -0.72 -0.18 0.00 -2.23 0.00 0.00 60.65 57.57 2avo s ILE 33 Cb -0.13 -2.21 -0.04 0.00 -1.58 0.00 0.00 42.46 38.50 2avo s ILE 33 CO -0.09 0.59 0.89 -0.62 -1.23 0.00 0.00 174.94 174.48 2avo n GLU 34 N 2.36 0.73 -1.64 2.79 1.02 -1.26 -1.86 120.64 122.79 2avo n GLU 34 Ca -0.17 0.29 -0.60 0.00 -0.02 0.00 0.00 57.16 56.66 2avo n GLU 34 Cb 0.52 -2.11 -0.08 0.00 -0.02 0.00 0.00 31.44 29.75 2avo n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2avo n GLU 35 N -1.09 0.52 -3.57 3.49 4.07 -0.93 -4.65 120.64 118.49 2avo n GLU 35 Ca 0.13 0.19 -0.16 0.00 -0.06 0.00 0.00 57.16 57.27 2avo n GLU 35 Cb 0.48 -1.76 -0.06 0.00 -0.06 0.00 0.00 31.44 30.04 2avo n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2avo s MET 36 N 1.72 1.00 -1.30 5.31 0.23 -1.26 -5.02 119.30 119.98 2avo s MET 36 Ca 0.95 -0.01 -0.10 0.00 -1.03 0.00 0.00 55.69 55.51 2avo s MET 36 Cb -1.22 0.46 0.16 0.00 -1.53 0.00 0.00 34.83 32.70 2avo s MET 36 CO 0.63 -0.33 1.91 0.43 -2.03 0.00 0.00 175.02 175.63 2avo n SER 37 N 0.75 4.98 -4.76 -1.18 7.64 -1.26 -5.00 113.62 114.78 2avo n SER 37 Ca -0.19 -3.09 -0.40 0.00 1.01 0.00 0.00 58.87 56.21 2avo n SER 37 Cb 0.58 -1.49 -0.04 0.00 -1.01 0.00 0.00 64.21 62.25 2avo n SER 37 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2avo s LEU 38 N 0.08 4.44 0.51 -3.43 1.43 -1.26 -5.02 118.68 115.43 2avo s LEU 38 Ca 0.40 2.29 -0.17 0.00 -1.03 0.00 0.00 54.13 55.63 2avo s LEU 38 Cb 0.10 -3.75 -0.08 0.00 0.03 0.00 0.00 46.19 42.49 2avo s LEU 38 CO -0.00 -0.29 0.99 -2.16 0.23 0.00 0.00 176.35 175.11 2avo s PRO 39 N -1.72 3.94 0.00 1.29 0.04 -1.26 -4.97 135.00 132.32 2avo s PRO 39 Ca 0.48 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.51 2avo s PRO 39 Cb -0.31 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.09 2avo s PRO 39 CO 0.40 -0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.57 2avo n GLY 40 N -1.45 -2.62 3.78 0.56 0.00 -1.26 -5.04 105.19 99.15 2avo n GLY 40 Ca 0.07 -2.15 -0.37 0.00 0.00 0.00 0.00 46.02 43.57 2avo n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2avo s ARG 41 N -0.68 4.23 0.14 1.61 1.81 -1.26 -5.04 118.95 119.76 2avo s ARG 41 Ca 0.00 1.56 -0.02 0.00 -1.72 0.00 0.00 55.73 55.55 2avo s ARG 41 Cb 0.00 -2.63 -0.04 0.00 -0.45 0.00 0.00 34.95 31.83 2avo s ARG 41 CO 0.00 -0.10 0.09 1.67 -0.68 0.00 0.00 175.30 176.28 2avo s TRP 42 N -1.58 0.79 -0.03 -0.53 1.48 -1.26 -4.50 118.94 113.31 2avo s TRP 42 Ca 0.56 -1.16 0.05 0.00 -1.06 0.00 0.00 56.10 54.49 2avo s TRP 42 Cb -0.24 -0.42 -0.01 0.00 -1.16 0.00 0.00 33.47 31.65 2avo s TRP 42 CO 0.30 -0.55 -0.18 0.21 -4.06 0.00 0.00 176.95 172.66 2avo s LYS 43 N -4.04 1.66 0.49 3.25 2.20 -0.39 -4.91 119.74 117.99 2avo s LYS 43 Ca 0.23 -0.66 -0.23 0.00 -0.36 0.00 0.00 55.97 54.95 2avo s LYS 43 Cb 0.07 -1.53 -0.07 0.00 -1.51 0.00 0.00 37.83 34.79 2avo s LYS 43 CO 0.02 0.35 1.29 -2.14 -0.36 0.00 0.00 175.35 174.50 2avo s PRO 44 N -0.26 3.53 0.03 4.03 0.02 -1.26 -0.66 135.00 140.43 2avo s PRO 44 Ca 0.03 2.09 -0.12 0.00 0.02 0.00 0.00 61.00 63.02 2avo s PRO 44 Cb -0.09 -2.43 0.01 0.00 0.02 0.00 0.00 34.50 32.02 2avo s PRO 44 CO 0.00 -0.83 0.26 0.21 -0.33 0.00 0.00 177.00 176.32 2avo s LYS 45 N -2.68 0.75 -0.05 5.54 2.20 -0.67 -4.84 119.74 119.98 2avo s LYS 45 Ca 0.65 -0.51 0.06 0.00 -0.36 0.00 0.00 55.97 55.82 2avo s LYS 45 Cb -0.36 0.32 -0.01 0.00 -1.51 0.00 0.00 37.83 36.26 2avo s LYS 45 CO 0.44 -0.23 -0.24 -1.64 -0.36 0.00 0.00 175.35 173.33 2avo s MET 46 N -2.39 2.36 0.04 4.03 -1.94 -1.26 -1.26 119.30 118.88 2avo s MET 46 Ca -0.06 -0.87 0.05 0.00 -1.71 0.00 0.00 55.69 53.10 2avo s MET 46 Cb -0.02 -2.05 -0.02 0.00 2.01 0.00 0.00 34.83 34.75 2avo s MET 46 CO -0.03 0.39 -0.13 0.96 -0.01 0.00 0.00 175.02 176.21 2avo s ILE 47 N -0.22 1.05 -0.17 2.53 -4.36 -0.54 -4.95 121.20 114.53 2avo s ILE 47 Ca -0.01 -1.03 -0.05 0.00 -0.26 0.00 0.00 60.65 59.30 2avo s ILE 47 Cb -0.13 -0.97 -0.03 0.00 1.25 0.00 0.00 42.46 42.58 2avo s ILE 47 CO 0.03 -0.06 0.01 -0.83 0.24 0.00 0.00 174.94 174.33 2avo s GLY 48 N -1.23 1.80 0.00 6.27 0.00 -1.26 -1.22 107.32 111.67 2avo s GLY 48 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 43.92 2avo s GLY 48 CO 0.01 0.01 0.00 0.61 0.00 0.00 0.00 173.10 173.74 2avo n GLY 49 N 3.60 3.27 0.25 0.20 0.00 0.16 -4.98 105.19 107.68 2avo n GLY 49 Ca -0.17 -2.13 0.09 0.00 0.00 0.00 0.00 46.02 43.82 2avo n GLY 49 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2avo h ILE 50 N 0.29 0.81 -0.00 -0.61 3.07 -2.04 -3.10 117.51 115.93 2avo h ILE 50 Ca 0.00 -0.57 0.00 0.00 1.55 0.00 0.00 64.86 65.84 2avo h ILE 50 Cb 0.00 1.34 0.00 0.00 -0.27 0.00 0.00 36.82 37.89 2avo h ILE 50 CO 0.00 0.15 -0.74 0.61 -1.05 0.00 0.00 178.15 177.12 2avo n GLY 51 N -0.84 -0.82 0.00 0.16 0.00 -1.26 -5.08 105.19 97.35 2avo n GLY 51 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2avo n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2avo n GLY 52 N 1.47 0.84 3.87 -0.02 0.00 -1.17 -5.12 105.19 105.06 2avo n GLY 52 Ca 0.06 -1.99 -0.29 0.00 0.00 0.00 0.00 46.02 43.79 2avo n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2avo s PHE 53 N -1.86 3.38 0.14 1.61 0.40 -1.26 -0.67 117.98 119.73 2avo s PHE 53 Ca 0.00 0.15 0.06 0.00 -0.60 0.00 0.00 56.93 56.53 2avo s PHE 53 Cb 0.00 -1.67 -0.04 0.00 0.51 0.00 0.00 43.02 41.81 2avo s PHE 53 CO 0.00 0.55 -0.13 0.96 0.70 0.00 0.00 175.22 177.30 2avo s ILE 54 N -1.56 1.32 -0.03 0.64 -4.36 -0.36 -4.96 121.20 111.90 2avo s ILE 54 Ca 0.33 -1.90 -0.21 0.00 -0.26 0.00 0.00 60.65 58.61 2avo s ILE 54 Cb -0.12 -1.70 -0.05 0.00 1.25 0.00 0.00 42.46 41.84 2avo s ILE 54 CO 0.26 -0.55 0.62 -0.54 0.24 0.00 0.00 174.94 174.96 2avo s LYS 55 N -3.16 4.36 0.12 0.37 1.02 -1.26 -1.47 119.74 119.72 2avo s LYS 55 Ca 0.13 0.75 -0.00 0.00 0.02 0.00 0.00 55.97 56.87 2avo s LYS 55 Cb -0.02 -3.38 -0.04 0.00 -0.52 0.00 0.00 37.83 33.87 2avo s LYS 55 CO 0.03 0.26 0.02 0.14 -0.92 0.00 0.00 175.35 174.88 2avo s VAL 56 N 0.16 0.29 -0.23 3.17 -7.23 -0.39 -4.50 120.40 111.68 2avo s VAL 56 Ca 0.32 -1.90 -0.10 0.00 -1.81 0.00 0.00 61.98 58.49 2avo s VAL 56 Cb -0.18 -1.92 -0.05 0.00 0.56 0.00 0.00 36.38 34.80 2avo s VAL 56 CO 0.17 -0.62 0.14 -0.13 -0.31 0.00 0.00 175.10 174.35 2avo s ARG 57 N -3.98 4.06 -0.28 4.82 0.52 -0.09 -1.67 118.95 122.33 2avo s ARG 57 Ca 0.19 -0.28 -0.16 0.00 -0.52 0.00 0.00 55.73 54.96 2avo s ARG 57 Cb 0.07 -3.48 -0.03 0.00 0.52 0.00 0.00 34.95 32.04 2avo s ARG 57 CO -0.01 0.11 0.44 -1.14 0.02 0.00 0.00 175.30 174.72 2avo s GLN 58 N 0.90 3.94 -0.15 3.54 0.74 0.16 -0.90 119.66 127.90 2avo s GLN 58 Ca 0.07 0.08 -0.02 0.00 0.05 0.00 0.00 55.36 55.53 2avo s GLN 58 Cb -0.13 -3.69 -0.02 0.00 1.10 0.00 0.00 33.01 30.27 2avo s GLN 58 CO 0.03 -0.38 -0.07 0.71 -0.55 0.00 0.00 175.29 175.03 2avo s TYR 59 N 2.20 2.94 0.16 1.67 1.51 -0.24 -1.26 117.35 124.34 2avo s TYR 59 Ca 0.17 -0.43 0.03 0.00 -1.01 0.00 0.00 57.07 55.83 2avo s TYR 59 Cb -0.16 -1.92 -0.03 0.00 -0.11 0.00 0.00 41.96 39.74 2avo s TYR 59 CO 0.10 -0.11 0.29 -0.51 -1.11 0.00 0.00 175.55 174.21 2avo s ASP 60 N 0.37 6.28 -1.32 2.29 -0.00 -1.26 -0.91 116.67 122.11 2avo s ASP 60 Ca -0.07 0.13 -0.05 0.00 -0.00 0.00 0.00 52.55 52.56 2avo s ASP 60 Cb -0.15 -1.87 0.02 0.00 -0.00 0.00 0.00 42.92 40.92 2avo s ASP 60 CO 0.04 0.03 1.04 0.00 -0.00 0.00 0.00 175.17 176.28 2avo n GLN 61 N -0.67 -6.83 -3.55 8.23 1.13 -1.12 -4.92 117.38 109.65 2avo n GLN 61 Ca -0.07 0.78 -0.37 0.00 -1.94 0.00 0.00 57.00 55.40 2avo n GLN 61 Cb 0.55 -5.74 -0.07 0.00 0.11 0.00 0.00 30.24 25.09 2avo n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2avo s ILE 62 N -3.38 5.27 -0.06 5.09 -1.09 -0.02 -4.76 121.20 122.26 2avo s ILE 62 Ca 0.32 0.59 -0.19 0.00 -2.23 0.00 0.00 60.65 59.14 2avo s ILE 62 Cb -0.15 -3.63 -0.05 0.00 -1.58 0.00 0.00 42.46 37.05 2avo s ILE 62 CO 0.75 0.44 0.53 -0.63 -1.23 0.00 0.00 174.94 174.80 2avo s ILE 63 N 0.09 5.06 -0.04 2.92 1.01 -1.26 -1.26 121.20 127.71 2avo s ILE 63 Ca 0.18 1.08 -0.00 0.00 0.00 0.00 0.00 60.65 61.91 2avo s ILE 63 Cb -0.14 -3.86 0.03 0.00 0.01 0.00 0.00 42.46 38.50 2avo s ILE 63 CO 0.06 0.38 0.00 -0.63 0.00 0.00 0.00 174.94 174.76 2avo s ILE 64 N 0.15 0.22 -0.18 2.92 1.01 -1.14 -4.42 121.20 119.76 2avo s ILE 64 Ca 0.28 0.12 -0.17 0.00 0.00 0.00 0.00 60.65 60.88 2avo s ILE 64 Cb -0.17 -0.34 -0.04 0.00 0.01 0.00 0.00 42.46 41.93 2avo s ILE 64 CO 0.14 0.18 0.45 -0.70 0.00 0.00 0.00 174.94 175.01 2avo s GLU 65 N 1.38 4.22 -0.29 2.79 2.12 -0.41 -1.58 118.70 126.93 2avo s GLU 65 Ca -0.05 0.32 0.02 0.00 0.36 0.00 0.00 54.97 55.61 2avo s GLU 65 Cb -0.13 -3.51 0.06 0.00 0.26 0.00 0.00 34.13 30.81 2avo s GLU 65 CO -0.02 -0.01 -0.05 0.42 -0.54 0.00 0.00 175.26 175.06 2avo s ILE 66 N 1.20 2.46 -1.58 -3.70 1.01 0.65 -0.84 121.20 120.39 2avo s ILE 66 Ca 0.22 -1.68 -0.11 0.00 0.00 0.00 0.00 60.65 59.08 2avo s ILE 66 Cb -0.15 -2.50 0.10 0.00 0.01 0.00 0.00 42.46 39.92 2avo s ILE 66 CO 0.09 -0.15 0.67 0.00 0.00 0.00 0.00 174.94 175.54 2avo n ALA 67 N 4.47 -1.53 -0.45 9.38 0.00 -0.27 -0.96 120.51 131.15 2avo n ALA 67 Ca -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2avo n ALA 67 Cb 0.42 -2.86 0.00 0.00 0.00 0.00 0.00 19.45 17.01 2avo n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2avo n GLY 68 N -1.65 1.16 3.39 0.00 0.00 -1.26 -5.03 105.19 101.80 2avo n GLY 68 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 2avo n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2avo s HIS 69 N -3.09 3.01 0.37 1.61 4.02 -0.13 -5.09 115.29 115.99 2avo s HIS 69 Ca 0.00 -0.65 -0.20 0.00 1.02 0.00 0.00 55.06 55.22 2avo s HIS 69 Cb 0.00 -2.12 -0.10 0.00 -1.02 0.00 0.00 32.58 29.34 2avo s HIS 69 CO 0.00 -0.39 0.89 0.15 1.02 0.00 0.00 174.74 176.40 2avo s LYS 70 N 1.33 4.24 0.25 1.40 1.02 -1.26 -0.25 119.74 126.47 2avo s LYS 70 Ca 0.04 1.04 0.04 0.00 0.02 0.00 0.00 55.97 57.12 2avo s LYS 70 Cb -0.15 -2.39 -0.02 0.00 -0.52 0.00 0.00 37.83 34.76 2avo s LYS 70 CO 0.00 0.09 0.16 0.00 -0.92 0.00 0.00 175.35 174.68 2avo n ALA 71 N -0.28 0.46 -3.65 5.17 0.00 -0.61 -4.80 120.51 116.79 2avo n ALA 71 Ca 0.05 -1.40 -0.08 0.00 0.00 0.00 0.00 53.44 52.01 2avo n ALA 71 Cb 0.53 1.06 -0.08 0.00 0.00 0.00 0.00 19.45 20.96 2avo n ALA 71 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2avo s ILE 72 N -2.82 -0.02 -1.24 0.00 2.07 -1.26 -2.88 121.20 115.05 2avo s ILE 72 Ca 0.23 0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.49 2avo s ILE 72 Cb 0.01 -0.91 0.00 0.00 0.13 0.00 0.00 42.46 41.70 2avo s ILE 72 CO 0.16 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.81 2avo n GLY 73 N 4.32 -0.55 3.73 1.50 0.00 -0.39 -4.89 105.19 108.91 2avo n GLY 73 Ca -0.21 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 2avo n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2avo s THR 74 N -3.06 4.67 -0.06 2.61 2.01 -1.26 -0.84 115.64 119.72 2avo s THR 74 Ca 0.00 1.84 0.03 0.00 0.31 0.00 0.00 61.69 63.87 2avo s THR 74 Cb 0.00 -4.21 0.00 0.00 0.01 0.00 0.00 72.50 68.30 2avo s THR 74 CO 0.00 0.32 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.40 2avo s VAL 75 N 0.12 1.34 -0.17 3.82 1.01 -0.09 -4.48 120.40 121.96 2avo s VAL 75 Ca 0.43 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.69 2avo s VAL 75 Cb -0.21 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 2avo s VAL 75 CO 0.26 0.40 0.12 -0.76 0.00 0.00 0.00 175.10 175.11 2avo s LEU 76 N 0.34 4.19 -0.11 3.92 1.43 -0.08 -1.08 118.68 127.29 2avo s LEU 76 Ca -0.10 0.28 0.03 0.00 -1.03 0.00 0.00 54.13 53.32 2avo s LEU 76 Cb -0.14 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.02 2avo s LEU 76 CO 0.03 0.26 -0.23 -0.69 0.23 0.00 0.00 176.35 175.96 2avo s VAL 77 N -0.12 2.14 -0.13 -1.59 1.01 -0.08 -0.37 120.40 121.26 2avo s VAL 77 Ca 0.10 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.09 2avo s VAL 77 Cb -0.11 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.44 2avo s VAL 77 CO 0.00 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2avo n GLY 78 N 3.62 -1.04 2.56 4.51 0.00 -0.77 -0.91 105.19 113.15 2avo n GLY 78 Ca -0.19 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 2avo n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2avo n PRO 79 N 0.00 3.33 -3.36 1.61 -0.04 -1.26 -2.19 135.00 133.09 2avo n PRO 79 Ca 0.00 -2.55 -0.33 0.00 -0.04 0.00 0.00 63.50 60.58 2avo n PRO 79 Cb 0.00 -3.04 -0.06 0.00 -0.04 0.00 0.00 33.50 30.37 2avo n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2avo s THR 80 N 2.38 4.88 -0.97 0.52 -1.32 -1.26 -4.99 115.64 114.86 2avo s THR 80 Ca 0.56 0.63 0.28 0.00 -1.21 0.00 0.00 61.69 61.95 2avo s THR 80 Cb 0.16 -3.65 0.20 0.00 -1.51 0.00 0.00 72.50 67.69 2avo s THR 80 CO -0.07 -0.00 1.81 -0.81 -2.21 0.00 0.00 174.62 173.34 2avo n PRO 81 N 0.08 0.02 -3.82 7.08 -0.04 -1.26 -4.67 135.00 132.39 2avo n PRO 81 Ca -0.01 0.02 -0.12 0.00 -0.04 0.00 0.00 63.50 63.35 2avo n PRO 81 Cb 0.52 -1.52 -0.11 0.00 -0.04 0.00 0.00 33.50 32.35 2avo n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2avo s VAL 82 N -3.01 0.04 0.05 0.52 0.11 -1.26 -5.10 120.40 111.75 2avo s VAL 82 Ca 0.13 -0.32 -0.31 0.00 -2.93 0.00 0.00 61.98 58.55 2avo s VAL 82 Cb 0.18 -0.40 -0.05 0.00 -1.53 0.00 0.00 36.38 34.58 2avo s VAL 82 CO 0.57 -0.18 1.20 0.20 -3.33 0.00 0.00 175.10 173.56 2avo s ASN 83 N -0.64 7.08 -0.17 3.54 0.01 -1.26 -4.65 114.94 118.85 2avo s ASN 83 Ca -0.07 1.99 0.01 0.00 -0.71 0.00 0.00 52.86 54.08 2avo s ASN 83 Cb -0.04 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.06 2avo s ASN 83 CO 0.01 -0.48 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.30 2avo s ILE 84 N 1.16 2.00 -0.37 0.60 1.01 0.53 -0.53 121.20 125.61 2avo s ILE 84 Ca 0.58 -0.92 -0.15 0.00 0.00 0.00 0.00 60.65 60.17 2avo s ILE 84 Cb -0.29 -1.80 -0.00 0.00 0.01 0.00 0.00 42.46 40.38 2avo s ILE 84 CO 0.29 0.53 0.35 -0.63 0.00 0.00 0.00 174.94 175.48 2avo s ILE 85 N 1.19 5.18 0.34 2.92 -1.09 0.20 -1.10 121.20 128.84 2avo s ILE 85 Ca 0.02 -0.19 0.05 0.00 -2.23 0.00 0.00 60.65 58.30 2avo s ILE 85 Cb -0.14 -3.87 0.05 0.00 -1.58 0.00 0.00 42.46 36.93 2avo s ILE 85 CO -0.10 -0.19 0.45 0.61 -1.23 0.00 0.00 174.94 174.49 2avo n GLY 86 N 5.05 2.04 0.23 6.18 0.00 -1.21 -1.23 105.19 116.25 2avo n GLY 86 Ca -0.10 -2.19 0.07 0.00 0.00 0.00 0.00 46.02 43.80 2avo n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2avo h ARG 87 N 0.00 0.00 -0.41 1.61 3.08 -0.99 -1.20 114.38 116.48 2avo h ARG 87 Ca -0.16 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.94 2avo h ARG 87 Cb 0.74 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 2avo h ARG 87 CO 0.24 0.18 0.28 -2.95 -1.07 0.00 0.00 179.97 176.64 2avo h ASN 88 N 0.00 0.30 0.03 7.04 -1.07 -1.79 -2.19 115.58 117.90 2avo h ASN 88 Ca -0.00 -0.00 -0.37 0.00 0.07 0.00 0.00 56.30 56.00 2avo h ASN 88 Cb 0.34 -0.07 -0.07 0.00 -2.07 0.00 0.00 38.32 36.46 2avo h ASN 88 CO 0.02 0.20 -2.37 0.18 0.07 0.00 0.00 177.43 175.53 2avo n LEU 89 N -4.48 1.02 -0.05 6.14 4.77 -0.80 -4.49 117.00 119.12 2avo n LEU 89 Ca 0.05 -0.02 0.05 0.00 -0.03 0.00 0.00 56.01 56.06 2avo n LEU 89 Cb 0.23 0.01 0.41 0.00 -2.33 0.00 0.00 43.42 41.74 2avo n LEU 89 CO 0.35 0.64 1.18 -0.07 -1.33 0.00 0.00 177.39 178.15 2avo h LEU 90 N 0.00 0.52 -1.36 2.23 3.38 -1.05 -0.97 115.31 118.05 2avo h LEU 90 Ca -0.54 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.40 2avo h LEU 90 Cb 2.13 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.73 2avo h LEU 90 CO -0.00 0.36 0.23 0.71 0.09 0.00 0.00 178.44 179.83 2avo h THR 91 N 0.60 1.16 0.00 0.22 1.35 -1.62 -2.44 112.91 112.18 2avo h THR 91 Ca 0.20 -0.46 -0.04 0.00 -0.55 0.00 0.00 66.41 65.56 2avo h THR 91 Cb 0.04 0.56 -0.01 0.00 -1.73 0.00 0.00 68.15 67.01 2avo h THR 91 CO -0.05 0.19 -0.18 1.56 -0.25 0.00 0.00 175.52 176.79 2avo h GLN 92 N 0.66 0.00 -0.59 4.72 4.20 -1.40 -2.38 115.11 120.33 2avo h GLN 92 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2avo h GLN 92 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2avo h GLN 92 CO -0.02 0.18 0.00 0.44 -0.67 0.00 0.00 178.83 178.75 2avo n ILE 93 N -3.33 0.77 -2.15 2.54 -5.35 -1.00 -4.93 119.36 105.91 2avo n ILE 93 Ca 0.00 -0.86 -0.09 0.00 -0.27 0.00 0.00 62.75 61.53 2avo n ILE 93 Cb 0.41 0.65 -0.01 0.00 -1.74 0.00 0.00 39.64 38.95 2avo n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2avo n GLY 94 N 1.58 0.03 3.76 3.28 0.00 -0.90 -5.00 105.19 107.94 2avo n GLY 94 Ca 0.22 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 2avo n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2avo s ALA 95 N -2.45 3.30 0.12 4.61 0.00 -0.95 -5.06 121.76 121.33 2avo s ALA 95 Ca 0.00 0.61 0.04 0.00 0.00 0.00 0.00 51.96 52.61 2avo s ALA 95 Cb 0.00 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 2avo s ALA 95 CO 0.00 0.16 -0.10 0.95 0.00 0.00 0.00 175.76 176.78 2avo s THR 96 N -1.32 1.00 -0.22 0.00 -4.23 -1.26 -4.78 115.64 104.82 2avo s THR 96 Ca 0.44 -1.84 -0.07 0.00 -1.18 0.00 0.00 61.69 59.05 2avo s THR 96 Cb -0.24 -1.59 -0.03 0.00 1.34 0.00 0.00 72.50 71.98 2avo s THR 96 CO 0.30 -0.67 0.06 -0.22 -0.54 0.00 0.00 174.62 173.55 2avo s LEU 97 N -2.79 3.51 -0.07 4.79 1.98 -1.26 -5.09 118.68 119.75 2avo s LEU 97 Ca 0.10 -0.13 0.04 0.00 -2.89 0.00 0.00 54.13 51.26 2avo s LEU 97 Cb 0.00 -1.92 -0.00 0.00 0.66 0.00 0.00 46.19 44.93 2avo s LEU 97 CO -0.00 0.04 -0.21 0.20 -1.89 0.00 0.00 176.35 174.49 2avo s ASN 98 N 1.17 2.66 0.00 3.68 -0.87 -1.26 -5.30 114.94 115.02 2avo s ASN 98 Ca 0.04 -0.46 0.00 0.00 -1.57 0.00 0.00 52.86 50.88 2avo s ASN 98 Cb -0.14 -0.95 0.00 0.00 -0.02 0.00 0.00 41.25 40.14 2avo s ASN 98 CO 0.03 0.17 0.00 2.22 -2.57 0.00 0.00 177.10 176.95