#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 3.70 -0.21 0.54 0.74 -1.26 -5.09 119.66 118.08 2avo s GLN 2 Ca 0.00 -0.46 -0.03 0.00 0.05 0.00 0.00 55.36 54.93 2avo s GLN 2 Cb 0.00 -3.32 -0.00 0.00 1.10 0.00 0.00 33.01 30.79 2avo s GLN 2 CO 0.00 -0.13 -0.08 0.42 -0.55 0.00 0.00 175.29 174.95 2avo s ILE 3 N 1.46 3.08 0.80 -2.34 1.01 -1.26 -5.12 121.20 118.83 2avo s ILE 3 Ca 0.06 -0.59 -0.09 0.00 0.00 0.00 0.00 60.65 60.03 2avo s ILE 3 Cb -0.15 -2.38 0.12 0.00 0.01 0.00 0.00 42.46 40.06 2avo s ILE 3 CO 0.04 0.45 1.12 0.42 0.00 0.00 0.00 174.94 176.97 2avo s THR 4 N 1.44 2.13 -0.10 2.92 -4.23 -1.26 -5.04 115.64 111.50 2avo s THR 4 Ca 0.06 -0.24 0.15 0.00 -1.18 0.00 0.00 61.69 60.47 2avo s THR 4 Cb -0.14 -2.89 0.22 0.00 1.34 0.00 0.00 72.50 71.03 2avo s THR 4 CO -0.05 0.00 1.11 0.18 -0.54 0.00 0.00 174.62 175.32 2avo n LEU 5 N -3.21 2.22 0.21 4.79 4.77 -1.26 -4.63 117.00 119.88 2avo n LEU 5 Ca 0.12 -2.81 0.06 0.00 -0.03 0.00 0.00 56.01 53.35 2avo n LEU 5 Cb 0.60 -0.33 0.46 0.00 -2.33 0.00 0.00 43.42 41.81 2avo n LEU 5 CO 0.48 0.65 0.79 -0.50 -1.33 0.00 0.00 177.39 177.48 2avo h TRP 6 N 0.00 0.00 -1.92 -1.77 4.06 -2.06 -3.43 115.95 110.83 2avo h TRP 6 Ca 0.00 0.00 -0.62 0.00 2.06 0.00 0.00 58.89 60.33 2avo h TRP 6 Cb 0.91 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 28.93 2avo h TRP 6 CO 0.00 0.30 -0.66 0.15 -3.56 0.00 0.00 178.44 174.67 2avo s LYS 7 N -4.06 1.84 0.31 0.49 1.02 -1.26 -5.10 119.74 112.97 2avo s LYS 7 Ca -0.02 -1.97 -0.30 0.00 0.02 0.00 0.00 55.97 53.70 2avo s LYS 7 Cb 0.13 -1.66 -0.12 0.00 -0.52 0.00 0.00 37.83 35.67 2avo s LYS 7 CO 0.68 0.09 1.50 0.54 -0.92 0.00 0.00 175.35 177.24 2avo n ARG 8 N -0.82 2.50 -2.39 1.68 1.74 -1.26 -4.86 116.66 113.25 2avo n ARG 8 Ca -0.05 0.89 -0.43 0.00 -0.77 0.00 0.00 57.85 57.49 2avo n ARG 8 Cb 0.64 -2.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.47 2avo n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2avo n PRO 9 N 1.55 3.13 -3.40 5.56 -0.04 -1.26 -4.95 135.00 135.59 2avo n PRO 9 Ca 0.07 -3.14 -0.38 0.00 -0.04 0.00 0.00 63.50 60.01 2avo n PRO 9 Cb 0.36 -3.44 -0.06 0.00 -0.04 0.00 0.00 33.50 30.32 2avo n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2avo s LEU 10 N 3.67 4.44 0.18 1.53 1.43 -1.26 -1.10 118.68 127.56 2avo s LEU 10 Ca 0.52 1.00 0.03 0.00 -1.03 0.00 0.00 54.13 54.64 2avo s LEU 10 Cb 0.06 -2.68 -0.05 0.00 0.03 0.00 0.00 46.19 43.55 2avo s LEU 10 CO 0.04 0.23 -0.02 0.68 0.23 0.00 0.00 176.35 177.51 2avo s VAL 11 N -0.66 0.83 0.02 -1.59 -7.23 0.01 -4.95 120.40 106.84 2avo s VAL 11 Ca 0.25 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.22 2avo s VAL 11 Cb -0.17 -2.11 -0.06 0.00 0.56 0.00 0.00 36.38 34.60 2avo s VAL 11 CO 0.14 -0.50 0.57 -0.89 -0.31 0.00 0.00 175.10 174.11 2avo s THR 12 N -3.55 4.87 0.29 5.32 2.01 -1.26 -0.80 115.64 122.52 2avo s THR 12 Ca 0.23 1.21 0.11 0.00 0.31 0.00 0.00 61.69 63.56 2avo s THR 12 Cb 0.05 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 2avo s THR 12 CO 0.04 0.46 -0.17 0.27 -0.69 0.00 0.00 174.62 174.54 2avo s ILE 13 N -0.48 2.52 -0.12 1.82 -4.36 0.35 -1.13 121.20 119.80 2avo s ILE 13 Ca 0.30 -2.34 0.01 0.00 -0.26 0.00 0.00 60.65 58.36 2avo s ILE 13 Cb -0.18 -2.40 0.02 0.00 1.25 0.00 0.00 42.46 41.15 2avo s ILE 13 CO 0.17 -0.37 -0.14 -0.75 0.24 0.00 0.00 174.94 174.10 2avo s LYS 14 N -3.54 2.10 -0.06 0.37 2.20 -0.18 -1.23 119.74 119.40 2avo s LYS 14 Ca 0.31 -0.51 -0.03 0.00 -0.36 0.00 0.00 55.97 55.38 2avo s LYS 14 Cb -0.04 -1.87 0.04 0.00 -1.51 0.00 0.00 37.83 34.45 2avo s LYS 14 CO 0.16 -0.13 0.14 -1.50 -0.36 0.00 0.00 175.35 173.65 2avo s ILE 15 N 1.20 -0.05 -1.79 5.43 2.07 -0.34 -1.37 121.20 126.35 2avo s ILE 15 Ca -0.02 0.18 0.00 0.00 -1.41 0.00 0.00 60.65 59.39 2avo s ILE 15 Cb -0.14 -0.23 0.00 0.00 0.13 0.00 0.00 42.46 42.22 2avo s ILE 15 CO -0.05 0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.67 2avo n GLY 16 N 4.18 1.63 1.86 1.50 0.00 -1.26 -1.24 105.19 111.86 2avo n GLY 16 Ca -0.26 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.38 0.98 3.63 -0.02 0.00 -1.26 -4.99 105.19 103.14 2avo n GLY 17 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 2avo n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2avo s GLN 18 N -0.38 2.81 0.14 1.61 0.74 -0.37 -5.08 119.66 119.13 2avo s GLN 18 Ca 0.00 -0.52 -0.26 0.00 0.05 0.00 0.00 55.36 54.63 2avo s GLN 18 Cb 0.00 -2.66 -0.07 0.00 1.10 0.00 0.00 33.01 31.38 2avo s GLN 18 CO 0.00 0.67 0.80 -0.51 -0.55 0.00 0.00 175.29 175.70 2avo s LEU 19 N -0.95 4.56 0.13 3.68 1.43 -1.26 -1.20 118.68 125.07 2avo s LEU 19 Ca 0.14 1.63 -0.06 0.00 -1.03 0.00 0.00 54.13 54.80 2avo s LEU 19 Cb -0.11 -3.32 -0.02 0.00 0.03 0.00 0.00 46.19 42.77 2avo s LEU 19 CO 0.03 0.14 0.18 -0.54 0.23 0.00 0.00 176.35 176.39 2avo s LYS 20 N -0.80 0.99 -0.08 1.70 1.02 -0.36 -5.00 119.74 117.22 2avo s LYS 20 Ca 0.38 -1.21 -0.04 0.00 0.02 0.00 0.00 55.97 55.12 2avo s LYS 20 Cb -0.23 0.32 -0.04 0.00 -0.52 0.00 0.00 37.83 37.37 2avo s LYS 20 CO 0.26 -0.33 0.10 -2.00 -0.92 0.00 0.00 175.35 172.46 2avo s GLU 21 N -3.97 3.25 0.05 1.68 2.12 -1.26 -0.50 118.70 120.08 2avo s GLU 21 Ca 0.16 -0.28 -0.10 0.00 0.36 0.00 0.00 54.97 55.11 2avo s GLU 21 Cb 0.05 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.43 2avo s GLU 21 CO -0.02 0.73 0.20 0.00 -0.54 0.00 0.00 175.26 175.63 2avo s ALA 22 N -1.05 -0.36 -0.20 6.30 0.00 0.02 -4.53 121.76 121.95 2avo s ALA 22 Ca 0.17 -0.33 -0.16 0.00 0.00 0.00 0.00 51.96 51.64 2avo s ALA 22 Cb -0.12 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 2avo s ALA 22 CO 0.07 -0.40 0.41 -1.17 0.00 0.00 0.00 175.76 174.67 2avo s LEU 23 N -2.24 4.16 -0.27 0.00 2.96 0.14 -0.81 118.68 122.62 2avo s LEU 23 Ca -0.03 0.54 -0.29 0.00 -0.22 0.00 0.00 54.13 54.13 2avo s LEU 23 Cb 0.00 -2.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.15 2avo s LEU 23 CO -0.05 -0.09 1.36 -0.63 -1.32 0.00 0.00 176.35 175.62 2avo s ILE 24 N 1.34 4.07 -0.38 6.68 -1.09 -0.26 -0.66 121.20 130.91 2avo s ILE 24 Ca 0.20 1.22 0.01 0.00 -2.23 0.00 0.00 60.65 59.84 2avo s ILE 24 Cb -0.15 -4.05 0.12 0.00 -1.58 0.00 0.00 42.46 36.80 2avo s ILE 24 CO 0.08 -0.40 0.17 -0.62 -1.23 0.00 0.00 174.94 172.95 2avo s ASP 25 N 2.97 3.79 0.39 3.58 -1.08 -0.38 -4.77 116.67 121.17 2avo s ASP 25 Ca 0.59 -2.18 0.28 0.00 -0.52 0.00 0.00 52.55 50.72 2avo s ASP 25 Cb -0.19 -0.94 1.21 0.00 -1.46 0.00 0.00 42.92 41.54 2avo s ASP 25 CO 0.23 -0.33 1.84 0.71 0.52 0.00 0.00 175.17 178.14 2avo h THR 26 N 5.77 0.00 -0.00 1.71 1.35 -1.93 -2.12 112.91 117.68 2avo h THR 26 Ca -0.06 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 2avo h THR 26 Cb 0.97 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 2avo h THR 26 CO 0.46 0.00 -0.06 0.61 -0.25 0.00 0.00 175.52 176.28 2avo n GLY 27 N -0.14 -0.81 3.65 5.82 0.00 -1.26 -4.82 105.19 107.64 2avo n GLY 27 Ca 0.01 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.28 3.59 0.23 4.61 0.00 -0.80 -4.98 121.76 122.13 2avo s ALA 28 Ca 0.35 -0.81 -0.03 0.00 0.00 0.00 0.00 51.96 51.48 2avo s ALA 28 Cb 0.21 -2.44 0.22 0.00 0.00 0.00 0.00 23.12 21.11 2avo s ALA 28 CO 0.42 -0.27 1.64 -0.44 0.00 0.00 0.00 175.76 177.11 2avo h ASP 29 N 7.57 0.72 -1.73 0.00 3.32 -1.87 0.09 116.42 124.53 2avo h ASP 29 Ca -0.37 -0.26 -0.61 0.00 0.02 0.00 0.00 57.03 55.81 2avo h ASP 29 Cb 1.17 -0.20 -0.13 0.00 0.22 0.00 0.00 39.33 40.39 2avo h ASP 29 CO 0.66 0.94 -0.58 -1.81 -1.72 0.00 0.00 179.24 176.73 2avo s ASP 30 N -6.77 3.64 -0.18 6.45 1.01 -1.26 -2.71 116.67 116.85 2avo s ASP 30 Ca -0.09 -1.44 -0.05 0.00 0.71 0.00 0.00 52.55 51.68 2avo s ASP 30 Cb 0.13 -0.12 -0.03 0.00 1.01 0.00 0.00 42.92 43.91 2avo s ASP 30 CO 0.83 -0.58 -0.01 -0.89 0.21 0.00 0.00 175.17 174.73 2avo s THR 31 N -2.86 4.08 -0.04 -1.27 2.01 -1.26 -3.10 115.64 113.20 2avo s THR 31 Ca 0.29 -0.28 0.01 0.00 0.31 0.00 0.00 61.69 62.01 2avo s THR 31 Cb 0.08 -2.82 0.02 0.00 0.01 0.00 0.00 72.50 69.79 2avo s THR 31 CO 0.14 0.46 -0.03 0.54 -0.69 0.00 0.00 174.62 175.05 2avo s VAL 32 N 0.59 0.38 0.04 3.82 0.11 -0.55 -1.12 120.40 123.67 2avo s VAL 32 Ca -0.01 -0.03 0.06 0.00 -2.93 0.00 0.00 61.98 59.07 2avo s VAL 32 Cb -0.14 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.24 2avo s VAL 32 CO 0.02 0.19 -0.16 -0.63 -3.33 0.00 0.00 175.10 171.19 2avo s ILE 33 N 0.97 2.95 0.84 7.04 -1.09 0.37 -0.57 121.20 131.70 2avo s ILE 33 Ca -0.10 -1.11 -0.13 0.00 -2.23 0.00 0.00 60.65 57.07 2avo s ILE 33 Cb -0.14 -2.25 0.08 0.00 -1.58 0.00 0.00 42.46 38.57 2avo s ILE 33 CO -0.01 0.34 1.02 -0.62 -1.23 0.00 0.00 174.94 174.45 2avo n GLU 34 N 1.54 0.01 -1.62 2.79 1.02 -1.25 -1.38 120.64 121.75 2avo n GLU 34 Ca -0.16 0.08 -0.49 0.00 -0.02 0.00 0.00 57.16 56.57 2avo n GLU 34 Cb 0.52 -2.29 -0.05 0.00 -0.02 0.00 0.00 31.44 29.60 2avo n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2avo n GLU 35 N -3.01 1.58 -3.55 3.49 1.02 -1.14 -4.53 120.64 114.51 2avo n GLU 35 Ca 0.12 0.57 -0.10 0.00 -0.02 0.00 0.00 57.16 57.73 2avo n GLU 35 Cb 0.51 -2.25 -0.02 0.00 -0.02 0.00 0.00 31.44 29.66 2avo n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2avo s MET 36 N 0.57 1.40 -0.02 3.49 0.23 -1.26 -5.02 119.30 118.69 2avo s MET 36 Ca 0.81 -0.61 -0.29 0.00 -1.03 0.00 0.00 55.69 54.58 2avo s MET 36 Cb -0.83 0.58 -0.03 0.00 -1.53 0.00 0.00 34.83 33.02 2avo s MET 36 CO 0.44 -0.62 0.92 -1.12 -2.03 0.00 0.00 175.02 172.61 2avo s SER 37 N -2.79 7.29 -0.03 -1.18 0.01 -1.26 -5.04 113.70 110.69 2avo s SER 37 Ca 0.04 1.56 0.01 0.00 1.31 0.00 0.00 55.95 58.87 2avo s SER 37 Cb -0.02 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.69 2avo s SER 37 CO -0.07 -0.24 -0.02 -0.22 0.41 0.00 0.00 173.24 173.10 2avo s LEU 38 N 0.99 1.34 0.14 2.44 2.96 -1.26 -4.99 118.68 120.30 2avo s LEU 38 Ca 0.49 -0.06 -0.31 0.00 -0.22 0.00 0.00 54.13 54.03 2avo s LEU 38 Cb -0.20 -0.29 -0.08 0.00 0.50 0.00 0.00 46.19 46.13 2avo s LEU 38 CO 0.26 -0.06 1.28 -2.84 -1.32 0.00 0.00 176.35 173.67 2avo s PRO 39 N 0.82 4.40 0.00 0.98 0.02 -1.26 -4.92 135.00 135.04 2avo s PRO 39 Ca -0.09 1.95 0.00 0.00 0.02 0.00 0.00 61.00 62.88 2avo s PRO 39 Cb -0.12 -3.26 0.00 0.00 0.02 0.00 0.00 34.50 31.14 2avo s PRO 39 CO -0.01 -0.28 0.00 0.41 -0.33 0.00 0.00 177.00 176.80 2avo n GLY 40 N 2.89 3.20 3.86 0.52 0.00 -1.26 -5.06 105.19 109.33 2avo n GLY 40 Ca 0.08 -1.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.04 3.81 0.13 1.61 0.52 -1.26 -5.08 118.95 116.65 2avo s ARG 41 Ca 0.00 0.82 -0.03 0.00 -0.52 0.00 0.00 55.73 56.00 2avo s ARG 41 Cb 0.00 -2.15 -0.03 0.00 0.52 0.00 0.00 34.95 33.29 2avo s ARG 41 CO 0.00 -0.34 0.11 1.67 0.02 0.00 0.00 175.30 176.75 2avo s TRP 42 N -2.78 0.73 0.04 -0.53 1.48 -1.26 -4.50 118.94 112.12 2avo s TRP 42 Ca 0.57 -1.11 0.03 0.00 -1.06 0.00 0.00 56.10 54.53 2avo s TRP 42 Cb -0.10 -0.38 -0.02 0.00 -1.16 0.00 0.00 33.47 31.81 2avo s TRP 42 CO 0.39 -0.56 -0.11 -1.59 -4.06 0.00 0.00 176.95 171.02 2avo s LYS 43 N -4.02 0.70 0.42 3.25 -2.85 -0.53 -4.91 119.74 111.80 2avo s LYS 43 Ca 0.22 -0.70 -0.25 0.00 -1.00 0.00 0.00 55.97 54.24 2avo s LYS 43 Cb 0.07 -0.62 -0.08 0.00 -2.06 0.00 0.00 37.83 35.13 2avo s LYS 43 CO 0.01 0.15 1.20 -1.25 0.10 0.00 0.00 175.35 175.55 2avo s PRO 44 N -1.21 3.95 0.09 1.78 0.05 -1.26 -0.35 135.00 138.05 2avo s PRO 44 Ca -0.03 1.90 -0.10 0.00 0.05 0.00 0.00 61.00 62.82 2avo s PRO 44 Cb -0.08 -2.63 0.01 0.00 0.05 0.00 0.00 34.50 31.85 2avo s PRO 44 CO 0.01 -0.43 0.24 0.15 0.05 0.00 0.00 177.00 177.02 2avo s LYS 45 N -2.38 0.89 0.01 4.56 -0.14 -0.56 -4.84 119.74 117.28 2avo s LYS 45 Ca 0.59 -0.88 0.08 0.00 -1.36 0.00 0.00 55.97 54.40 2avo s LYS 45 Cb -0.32 0.37 -0.02 0.00 -1.68 0.00 0.00 37.83 36.18 2avo s LYS 45 CO 0.40 -0.30 -0.25 -1.64 -0.76 0.00 0.00 175.35 172.81 2avo s MET 46 N -3.78 1.88 0.07 1.68 -1.94 -1.26 -0.91 119.30 115.04 2avo s MET 46 Ca 0.04 -0.96 0.05 0.00 -1.71 0.00 0.00 55.69 53.11 2avo s MET 46 Cb 0.04 -1.90 -0.03 0.00 2.01 0.00 0.00 34.83 34.95 2avo s MET 46 CO -0.11 0.51 -0.14 0.96 -0.01 0.00 0.00 175.02 176.23 2avo s ILE 47 N -0.67 1.08 0.07 2.53 -4.36 -0.72 -4.98 121.20 114.15 2avo s ILE 47 Ca 0.10 -1.29 0.07 0.00 -0.26 0.00 0.00 60.65 59.27 2avo s ILE 47 Cb -0.10 -1.04 -0.03 0.00 1.25 0.00 0.00 42.46 42.54 2avo s ILE 47 CO 0.00 -0.23 -0.19 -0.83 0.24 0.00 0.00 174.94 173.94 2avo s GLY 48 N -1.72 1.07 0.00 6.27 0.00 -1.26 -1.09 107.32 110.59 2avo s GLY 48 Ca -0.02 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.61 2avo s GLY 48 CO 0.02 -1.07 0.00 0.61 0.00 0.00 0.00 173.10 172.66 2avo n GLY 49 N 1.45 4.27 3.74 0.20 0.00 -0.60 -4.99 105.19 109.26 2avo n GLY 49 Ca -0.19 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 2avo n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2avo s ILE 50 N -0.83 2.29 0.00 -0.61 -1.09 -1.26 -2.20 121.20 117.50 2avo s ILE 50 Ca 0.00 0.23 0.00 0.00 -2.23 0.00 0.00 60.65 58.65 2avo s ILE 50 Cb 0.00 -3.15 0.00 0.00 -1.58 0.00 0.00 42.46 37.73 2avo s ILE 50 CO 0.00 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.35 2avo n GLY 51 N 2.65 2.13 0.00 6.18 0.00 -1.26 -4.94 105.19 109.96 2avo n GLY 51 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.00 0.54 3.76 -0.02 0.00 -0.93 -5.10 105.19 101.44 2avo n GLY 52 Ca 0.00 -2.07 -0.28 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.89 3.11 0.08 1.61 0.40 -1.26 -1.56 117.98 119.47 2avo s PHE 53 Ca 0.00 0.00 0.06 0.00 -0.60 0.00 0.00 56.93 56.39 2avo s PHE 53 Cb 0.00 -1.54 -0.03 0.00 0.51 0.00 0.00 43.02 41.96 2avo s PHE 53 CO 0.00 0.51 -0.16 0.96 0.70 0.00 0.00 175.22 177.23 2avo s ILE 54 N -1.57 1.29 -0.02 0.64 -4.36 -0.25 -4.98 121.20 111.95 2avo s ILE 54 Ca 0.29 -1.39 -0.20 0.00 -0.26 0.00 0.00 60.65 59.10 2avo s ILE 54 Cb -0.11 -1.22 -0.05 0.00 1.25 0.00 0.00 42.46 42.33 2avo s ILE 54 CO 0.22 -0.19 0.56 -0.54 0.24 0.00 0.00 174.94 175.23 2avo s LYS 55 N -1.82 4.29 0.13 0.37 1.02 -1.26 -1.75 119.74 120.72 2avo s LYS 55 Ca 0.01 0.66 0.01 0.00 0.02 0.00 0.00 55.97 56.67 2avo s LYS 55 Cb -0.10 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 2avo s LYS 55 CO 0.03 0.35 -0.03 0.14 -0.92 0.00 0.00 175.35 174.93 2avo s VAL 56 N -0.10 0.63 -0.20 3.17 -7.23 -0.08 -4.35 120.40 112.24 2avo s VAL 56 Ca 0.30 -1.95 -0.15 0.00 -1.81 0.00 0.00 61.98 58.36 2avo s VAL 56 Cb -0.18 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.82 2avo s VAL 56 CO 0.16 -0.67 0.37 -0.13 -0.31 0.00 0.00 175.10 174.52 2avo s ARG 57 N -3.89 4.18 -0.28 4.82 0.52 0.28 -1.49 118.95 123.09 2avo s ARG 57 Ca 0.18 0.17 -0.13 0.00 -0.52 0.00 0.00 55.73 55.42 2avo s ARG 57 Cb 0.06 -3.52 -0.04 0.00 0.52 0.00 0.00 34.95 31.97 2avo s ARG 57 CO -0.00 0.00 0.30 -1.14 0.02 0.00 0.00 175.30 174.48 2avo s GLN 58 N 1.18 3.94 -0.23 3.54 0.74 0.52 -0.55 119.66 128.80 2avo s GLN 58 Ca 0.18 -0.16 -0.05 0.00 0.05 0.00 0.00 55.36 55.38 2avo s GLN 58 Cb -0.14 -3.67 -0.02 0.00 1.10 0.00 0.00 33.01 30.27 2avo s GLN 58 CO 0.07 -0.26 0.01 0.71 -0.55 0.00 0.00 175.29 175.27 2avo s TYR 59 N 1.93 3.02 0.27 1.67 1.51 -0.31 -1.45 117.35 123.99 2avo s TYR 59 Ca 0.11 -0.68 -0.10 0.00 -1.01 0.00 0.00 57.07 55.40 2avo s TYR 59 Cb -0.16 -2.15 -0.07 0.00 -0.11 0.00 0.00 41.96 39.47 2avo s TYR 59 CO 0.11 -0.43 0.61 -0.51 -1.11 0.00 0.00 175.55 174.21 2avo s ASP 60 N 1.47 6.61 -1.26 2.29 1.01 -1.26 -0.99 116.67 124.53 2avo s ASP 60 Ca 0.05 0.98 -0.01 0.00 0.71 0.00 0.00 52.55 54.28 2avo s ASP 60 Cb -0.15 -2.25 0.00 0.00 1.01 0.00 0.00 42.92 41.54 2avo s ASP 60 CO 0.00 -0.15 0.88 1.67 0.21 0.00 0.00 175.17 177.78 2avo n GLN 61 N -0.42 -5.91 -3.60 8.23 7.27 -1.11 -4.90 117.38 116.93 2avo n GLN 61 Ca 0.01 0.74 -0.36 0.00 0.07 0.00 0.00 57.00 57.46 2avo n GLN 61 Cb 0.53 -5.56 -0.07 0.00 2.41 0.00 0.00 30.24 27.55 2avo n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2avo s ILE 62 N -3.49 5.32 -0.02 1.69 -1.09 -0.09 -4.69 121.20 118.83 2avo s ILE 62 Ca 0.05 0.47 -0.30 0.00 -2.23 0.00 0.00 60.65 58.64 2avo s ILE 62 Cb -0.02 -3.59 -0.04 0.00 -1.58 0.00 0.00 42.46 37.23 2avo s ILE 62 CO 0.77 0.43 1.17 -0.63 -1.23 0.00 0.00 174.94 175.45 2avo s ILE 63 N 0.20 4.28 -0.04 2.92 1.01 -1.26 -1.37 121.20 126.93 2avo s ILE 63 Ca 0.15 1.61 -0.03 0.00 0.00 0.00 0.00 60.65 62.38 2avo s ILE 63 Cb -0.13 -4.04 0.02 0.00 0.01 0.00 0.00 42.46 38.32 2avo s ILE 63 CO 0.03 0.05 0.11 -0.51 0.00 0.00 0.00 174.94 174.62 2avo s ILE 64 N 1.74 -0.01 -0.17 2.92 2.07 -0.28 -4.37 121.20 123.09 2avo s ILE 64 Ca 0.56 0.04 -0.06 0.00 -1.41 0.00 0.00 60.65 59.78 2avo s ILE 64 Cb -0.25 -0.16 -0.04 0.00 0.13 0.00 0.00 42.46 42.13 2avo s ILE 64 CO 0.25 0.02 0.04 -1.61 -1.91 0.00 0.00 174.94 171.72 2avo s GLU 65 N 0.31 3.85 -0.29 3.50 2.02 -0.47 -1.08 118.70 126.54 2avo s GLU 65 Ca -0.02 -0.38 0.03 0.00 0.02 0.00 0.00 54.97 54.62 2avo s GLU 65 Cb -0.03 -3.12 0.07 0.00 0.10 0.00 0.00 34.13 31.15 2avo s GLU 65 CO -0.01 0.30 -0.05 0.42 0.02 0.00 0.00 175.26 175.94 2avo s ILE 66 N 0.26 2.13 -1.42 -1.63 1.01 0.30 -1.01 121.20 120.84 2avo s ILE 66 Ca 0.02 -1.84 -0.08 0.00 0.00 0.00 0.00 60.65 58.75 2avo s ILE 66 Cb -0.13 -2.37 0.05 0.00 0.01 0.00 0.00 42.46 40.02 2avo s ILE 66 CO 0.01 -0.24 0.63 0.00 0.00 0.00 0.00 174.94 175.34 2avo n ALA 67 N 4.40 -1.07 -0.68 9.38 0.00 -0.29 -0.87 120.51 131.38 2avo n ALA 67 Ca -0.08 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2avo n ALA 67 Cb 0.42 -3.54 0.00 0.00 0.00 0.00 0.00 19.45 16.33 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 -1.41 0.79 3.61 0.00 0.00 -1.26 -5.04 105.19 101.89 2avo n GLY 68 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.02 3.08 0.12 1.61 4.02 -0.05 -5.10 115.29 115.95 2avo s HIS 69 Ca 0.00 0.03 -0.24 0.00 1.02 0.00 0.00 55.06 55.88 2avo s HIS 69 Cb 0.00 -1.82 -0.07 0.00 -1.02 0.00 0.00 32.58 29.67 2avo s HIS 69 CO 0.00 0.31 0.72 0.21 1.02 0.00 0.00 174.74 176.99 2avo s LYS 70 N -0.53 4.46 0.06 1.40 2.47 -1.26 -0.53 119.74 125.80 2avo s LYS 70 Ca 0.09 1.02 0.02 0.00 -1.56 0.00 0.00 55.97 55.54 2avo s LYS 70 Cb -0.12 -3.27 -0.03 0.00 -1.46 0.00 0.00 37.83 32.95 2avo s LYS 70 CO 0.02 0.54 -0.07 0.00 0.16 0.00 0.00 175.35 176.00 2avo s ALA 71 N -0.95 0.75 -0.19 3.13 0.00 -0.24 -4.64 121.76 119.62 2avo s ALA 71 Ca 0.34 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.26 2avo s ALA 71 Cb -0.22 0.08 0.06 0.00 0.00 0.00 0.00 23.12 23.05 2avo s ALA 71 CO 0.24 -0.10 0.08 0.42 0.00 0.00 0.00 175.76 176.39 2avo s ILE 72 N -2.25 0.14 0.00 0.00 1.01 -1.26 -1.12 121.20 117.71 2avo s ILE 72 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.26 2avo s ILE 72 Cb -0.04 -0.78 0.00 0.00 0.01 0.00 0.00 42.46 41.65 2avo s ILE 72 CO -0.02 -0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.23 2avo n GLY 73 N 5.19 1.45 3.71 6.18 0.00 -0.47 -4.77 105.19 116.48 2avo n GLY 73 Ca -0.07 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.38 4.90 -0.11 2.61 2.01 -1.26 -0.92 115.64 120.50 2avo s THR 74 Ca 0.00 1.95 0.02 0.00 0.31 0.00 0.00 61.69 63.97 2avo s THR 74 Cb 0.00 -4.27 0.01 0.00 0.01 0.00 0.00 72.50 68.25 2avo s THR 74 CO 0.00 0.18 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.24 2avo s VAL 75 N 0.97 1.69 -0.01 3.82 1.01 -0.16 -4.52 120.40 123.18 2avo s VAL 75 Ca 0.49 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.61 2avo s VAL 75 Cb -0.20 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 2avo s VAL 75 CO 0.26 0.48 0.28 -0.76 0.00 0.00 0.00 175.10 175.36 2avo s LEU 76 N 0.77 4.39 -0.09 3.92 1.43 -0.28 -1.17 118.68 127.67 2avo s LEU 76 Ca -0.10 0.65 0.02 0.00 -1.03 0.00 0.00 54.13 53.67 2avo s LEU 76 Cb -0.16 -2.55 0.01 0.00 0.03 0.00 0.00 46.19 43.52 2avo s LEU 76 CO 0.01 0.30 -0.13 -0.69 0.23 0.00 0.00 176.35 176.07 2avo s VAL 77 N -1.20 1.28 -0.74 -1.59 1.01 0.29 -0.48 120.40 118.96 2avo s VAL 77 Ca 0.24 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.69 2avo s VAL 77 Cb -0.14 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 35.06 2avo s VAL 77 CO 0.13 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.23 2avo n GLY 78 N 4.05 -1.27 2.25 4.51 0.00 -0.48 -0.55 105.19 113.71 2avo n GLY 78 Ca -0.20 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.01 3.18 -2.45 1.61 -0.04 -1.26 -2.87 135.00 133.16 2avo n PRO 79 Ca 0.00 -2.02 -0.37 0.00 -0.04 0.00 0.00 63.50 61.07 2avo n PRO 79 Cb 0.00 -2.46 -0.03 0.00 -0.04 0.00 0.00 33.50 30.97 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 0.90 3.53 0.32 0.52 -1.32 -1.26 -4.95 115.64 113.38 2avo s THR 80 Ca 0.66 1.16 0.22 0.00 -1.21 0.00 0.00 61.69 62.52 2avo s THR 80 Cb 0.24 -3.60 0.21 0.00 -1.51 0.00 0.00 72.50 67.84 2avo s THR 80 CO -0.06 -0.00 1.92 -0.65 -2.21 0.00 0.00 174.62 173.62 2avo h PRO 81 N 2.36 0.00 -3.58 7.08 0.11 -1.98 -3.44 132.00 132.55 2avo h PRO 81 Ca -0.49 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 2avo h PRO 81 Cb 1.22 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.15 2avo h PRO 81 CO 0.62 0.24 -0.44 0.14 -0.21 0.00 0.00 178.00 178.35 2avo s VAL 82 N -4.04 0.11 0.12 3.15 -7.23 -1.26 -5.10 120.40 106.14 2avo s VAL 82 Ca -0.02 -0.87 -0.31 0.00 -1.81 0.00 0.00 61.98 58.97 2avo s VAL 82 Cb 0.13 -0.79 -0.07 0.00 0.56 0.00 0.00 36.38 36.21 2avo s VAL 82 CO 0.65 -0.48 1.32 0.20 -0.31 0.00 0.00 175.10 176.48 2avo s ASN 83 N -1.90 6.91 -0.10 4.85 0.01 -1.26 -4.74 114.94 118.70 2avo s ASN 83 Ca -0.08 2.26 0.02 0.00 -0.71 0.00 0.00 52.86 54.35 2avo s ASN 83 Cb -0.03 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.06 2avo s ASN 83 CO -0.02 -0.58 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.22 2avo s ILE 84 N 0.88 1.39 -0.37 0.60 1.01 0.27 -0.68 121.20 124.30 2avo s ILE 84 Ca 0.61 -0.58 -0.15 0.00 0.00 0.00 0.00 60.65 60.53 2avo s ILE 84 Cb -0.35 -1.29 0.00 0.00 0.01 0.00 0.00 42.46 40.83 2avo s ILE 84 CO 0.31 0.42 0.35 -0.63 0.00 0.00 0.00 174.94 175.40 2avo s ILE 85 N 1.03 5.18 0.27 2.92 -1.09 0.16 -1.48 121.20 128.20 2avo s ILE 85 Ca -0.06 -0.21 0.04 0.00 -2.23 0.00 0.00 60.65 58.18 2avo s ILE 85 Cb -0.15 -3.88 0.04 0.00 -1.58 0.00 0.00 42.46 36.89 2avo s ILE 85 CO -0.02 -0.20 0.29 0.61 -1.23 0.00 0.00 174.94 174.40 2avo n GLY 86 N 5.05 2.38 0.24 6.18 0.00 -1.18 -1.25 105.19 116.61 2avo n GLY 86 Ca -0.10 -2.20 0.06 0.00 0.00 0.00 0.00 46.02 43.78 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 0.03 -0.53 1.61 3.08 -0.98 -1.07 114.38 116.52 2avo h ARG 87 Ca -0.14 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 59.97 2avo h ARG 87 Cb 0.59 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 2avo h ARG 87 CO 0.22 0.14 0.36 -2.95 -1.07 0.00 0.00 179.97 176.67 2avo h ASN 88 N 0.03 0.39 0.05 7.04 -1.07 -1.78 -1.54 115.58 118.71 2avo h ASN 88 Ca 0.01 0.00 -0.29 0.00 0.07 0.00 0.00 56.30 56.09 2avo h ASN 88 Cb 0.21 -0.08 -0.05 0.00 -2.07 0.00 0.00 38.32 36.33 2avo h ASN 88 CO 0.01 0.25 -2.24 0.18 0.07 0.00 0.00 177.43 175.70 2avo n LEU 89 N -4.47 0.08 -0.17 6.14 4.77 -0.83 -4.13 117.00 118.40 2avo n LEU 89 Ca 0.08 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2avo n LEU 89 Cb 0.27 0.38 0.26 0.00 -2.33 0.00 0.00 43.42 42.00 2avo n LEU 89 CO 0.34 0.39 1.17 -0.07 -1.33 0.00 0.00 177.39 177.89 2avo h LEU 90 N 0.00 0.79 -1.38 2.23 3.38 -0.99 -1.46 115.31 117.87 2avo h LEU 90 Ca -0.42 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.44 2avo h LEU 90 Cb 1.99 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 2avo h LEU 90 CO 0.03 0.61 -0.30 0.74 0.09 0.00 0.00 178.44 179.61 2avo h THR 91 N 0.91 1.03 -0.40 0.22 2.02 -1.47 -1.58 112.91 113.63 2avo h THR 91 Ca 0.24 -1.09 -0.12 0.00 0.77 0.00 0.00 66.41 66.20 2avo h THR 91 Cb -0.02 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 2avo h THR 91 CO -0.04 0.29 -0.24 1.56 0.37 0.00 0.00 175.52 177.46 2avo h GLN 92 N 0.00 0.82 -0.08 6.66 4.20 -1.43 -3.06 115.11 122.22 2avo h GLN 92 Ca -0.00 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.36 2avo h GLN 92 Cb 0.60 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.35 2avo h GLN 92 CO 0.04 0.97 0.00 0.44 -0.67 0.00 0.00 178.83 179.61 2avo n ILE 93 N -4.10 0.10 -1.30 2.54 -5.35 -1.03 -4.93 119.36 105.29 2avo n ILE 93 Ca -0.00 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 2avo n ILE 93 Cb 0.45 0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.66 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 1.11 0.45 3.75 3.28 0.00 -1.03 -5.02 105.19 107.74 2avo n GLY 94 Ca 0.18 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.00 3.37 0.11 4.61 0.00 -0.62 -5.03 121.76 122.19 2avo s ALA 95 Ca 0.00 0.79 0.04 0.00 0.00 0.00 0.00 51.96 52.79 2avo s ALA 95 Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 2avo s ALA 95 CO 0.00 -0.09 -0.10 0.95 0.00 0.00 0.00 175.76 176.51 2avo s THR 96 N -0.74 1.02 0.03 0.00 -4.23 -1.26 -4.72 115.64 105.74 2avo s THR 96 Ca 0.46 -1.76 -0.14 0.00 -1.18 0.00 0.00 61.69 59.07 2avo s THR 96 Cb -0.29 -1.51 -0.06 0.00 1.34 0.00 0.00 72.50 71.98 2avo s THR 96 CO 0.36 -0.61 0.42 -0.76 -0.54 0.00 0.00 174.62 173.50 2avo s LEU 97 N -2.65 4.44 0.00 4.79 1.43 -1.26 -5.09 118.68 120.35 2avo s LEU 97 Ca 0.09 0.95 -0.00 0.00 -1.03 0.00 0.00 54.13 54.14 2avo s LEU 97 Cb -0.01 -2.72 -0.00 0.00 0.03 0.00 0.00 46.19 43.49 2avo s LEU 97 CO 0.00 0.28 -0.00 0.20 0.23 0.00 0.00 176.35 177.06 2avo s ASN 98 N -1.26 0.01 0.00 2.29 0.01 -1.26 -5.29 114.94 109.45 2avo s ASN 98 Ca 0.27 -0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.39 2avo s ASN 98 Cb -0.16 0.01 0.00 0.00 0.41 0.00 0.00 41.25 41.51 2avo s ASN 98 CO 0.15 -0.02 0.00 2.22 -1.51 0.00 0.00 177.10 177.94