#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2avv s GLN 2 N 0.00 2.14 -0.30 0.54 -0.21 -1.26 -5.11 119.66 115.46 2avv s GLN 2 Ca 0.00 -0.89 -0.10 0.00 0.02 0.00 0.00 55.36 54.39 2avv s GLN 2 Cb 0.00 -2.47 -0.02 0.00 1.00 0.00 0.00 33.01 31.52 2avv s GLN 2 CO 0.00 -0.42 0.16 0.42 -2.12 0.00 0.00 175.29 173.33 2avv s ILE 3 N 1.36 4.87 1.00 1.08 1.01 -1.26 -5.10 121.20 124.17 2avv s ILE 3 Ca -0.01 -0.18 -0.15 0.00 0.00 0.00 0.00 60.65 60.31 2avv s ILE 3 Cb -0.16 -3.41 0.19 0.00 0.01 0.00 0.00 42.46 39.09 2avv s ILE 3 CO -0.08 0.15 1.17 0.42 0.00 0.00 0.00 174.94 176.60 2avv s THR 4 N 1.67 1.89 -0.07 2.92 -4.23 -1.26 -5.02 115.64 111.54 2avv s THR 4 Ca 0.06 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 60.68 2avv s THR 4 Cb -0.16 -2.73 0.17 0.00 1.34 0.00 0.00 72.50 71.11 2avv s THR 4 CO 0.08 0.00 1.06 0.18 -0.54 0.00 0.00 174.62 175.40 2avv n LEU 5 N -4.05 1.69 0.26 4.79 4.77 -1.26 -4.59 117.00 118.61 2avv n LEU 5 Ca 0.10 -2.31 0.09 0.00 -0.03 0.00 0.00 56.01 53.86 2avv n LEU 5 Cb 0.59 -0.25 0.66 0.00 -2.33 0.00 0.00 43.42 42.09 2avv n LEU 5 CO 0.51 0.54 1.03 -0.50 -1.33 0.00 0.00 177.39 177.65 2avv h TRP 6 N 0.00 0.00 -2.75 -1.77 4.06 -2.06 -3.44 115.95 110.00 2avv h TRP 6 Ca 0.00 0.00 -0.48 0.00 2.06 0.00 0.00 58.89 60.47 2avv h TRP 6 Cb 1.00 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.01 2avv h TRP 6 CO 0.02 0.05 -0.72 0.15 -3.56 0.00 0.00 178.44 174.39 2avv s LYS 7 N -4.83 1.43 0.27 0.49 -0.14 -1.26 -5.11 119.74 110.59 2avv s LYS 7 Ca -0.05 -1.67 -0.31 0.00 -1.36 0.00 0.00 55.97 52.59 2avv s LYS 7 Cb 0.16 -1.18 -0.12 0.00 -1.68 0.00 0.00 37.83 35.01 2avv s LYS 7 CO 0.65 0.15 1.57 0.54 -0.76 0.00 0.00 175.35 177.50 2avv n ARG 8 N -0.47 2.56 -2.21 1.68 1.74 -1.26 -4.85 116.66 113.85 2avv n ARG 8 Ca -0.07 0.91 -0.41 0.00 -0.77 0.00 0.00 57.85 57.51 2avv n ARG 8 Cb 0.61 -2.68 -0.01 0.00 -1.02 0.00 0.00 32.46 29.37 2avv n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2avv n PRO 9 N 2.31 2.83 -3.35 5.56 -0.04 -1.26 -4.95 135.00 136.11 2avv n PRO 9 Ca 0.10 -2.93 -0.38 0.00 -0.04 0.00 0.00 63.50 60.25 2avv n PRO 9 Cb 0.35 -3.44 -0.06 0.00 -0.04 0.00 0.00 33.50 30.32 2avv n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2avv s LEU 10 N 4.25 4.36 0.22 1.53 1.43 -1.26 -0.96 118.68 128.25 2avv s LEU 10 Ca 0.54 0.92 0.01 0.00 -1.03 0.00 0.00 54.13 54.58 2avv s LEU 10 Cb 0.07 -2.71 -0.05 0.00 0.03 0.00 0.00 46.19 43.53 2avv s LEU 10 CO 0.04 0.12 0.05 0.68 0.23 0.00 0.00 176.35 177.47 2avv s VAL 11 N -0.03 0.59 -0.06 -1.59 -7.23 0.38 -4.93 120.40 107.53 2avv s VAL 11 Ca 0.26 -1.99 -0.19 0.00 -1.81 0.00 0.00 61.98 58.25 2avv s VAL 11 Cb -0.16 -2.39 -0.05 0.00 0.56 0.00 0.00 36.38 34.34 2avv s VAL 11 CO 0.12 -0.22 0.53 -0.89 -0.31 0.00 0.00 175.10 174.33 2avv s THR 12 N -3.73 5.06 0.31 5.32 2.01 -1.26 -0.66 115.64 122.69 2avv s THR 12 Ca 0.31 1.08 0.10 0.00 0.31 0.00 0.00 61.69 63.50 2avv s THR 12 Cb 0.07 -3.86 -0.06 0.00 0.01 0.00 0.00 72.50 68.66 2avv s THR 12 CO 0.09 0.38 -0.14 0.27 -0.69 0.00 0.00 174.62 174.53 2avv s ILE 13 N 0.14 2.29 -0.10 1.82 -4.36 0.10 -1.71 121.20 119.39 2avv s ILE 13 Ca 0.28 -2.29 0.01 0.00 -0.26 0.00 0.00 60.65 58.39 2avv s ILE 13 Cb -0.17 -2.46 0.02 0.00 1.25 0.00 0.00 42.46 41.11 2avv s ILE 13 CO 0.14 -0.31 -0.10 -0.75 0.24 0.00 0.00 174.94 174.15 2avv s LYS 14 N -3.57 1.70 -0.11 0.37 2.20 -0.31 -1.41 119.74 118.61 2avv s LYS 14 Ca 0.31 -0.35 -0.06 0.00 -0.36 0.00 0.00 55.97 55.51 2avv s LYS 14 Cb -0.01 -1.61 0.05 0.00 -1.51 0.00 0.00 37.83 34.75 2avv s LYS 14 CO 0.15 -0.17 0.26 -1.50 -0.36 0.00 0.00 175.35 173.73 2avv s ILE 15 N 1.34 -0.04 -1.27 5.43 1.10 -0.61 -1.14 121.20 126.01 2avv s ILE 15 Ca -0.01 0.14 0.00 0.00 -0.51 0.00 0.00 60.65 60.26 2avv s ILE 15 Cb -0.14 -0.39 0.00 0.00 0.15 0.00 0.00 42.46 42.08 2avv s ILE 15 CO -0.05 0.06 0.00 0.61 -2.11 0.00 0.00 174.94 173.45 2avv n GLY 16 N 4.17 1.27 2.49 1.50 0.00 -1.26 -1.02 105.19 112.34 2avv n GLY 16 Ca -0.25 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2avv n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2avv n GLY 17 N -1.16 1.18 3.64 -0.02 0.00 -1.26 -5.04 105.19 102.53 2avv n GLY 17 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 2avv n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2avv s GLN 18 N -0.17 3.00 0.04 1.61 0.74 -0.18 -5.07 119.66 119.62 2avv s GLN 18 Ca 0.00 -0.45 -0.24 0.00 0.05 0.00 0.00 55.36 54.72 2avv s GLN 18 Cb 0.00 -2.76 -0.06 0.00 1.10 0.00 0.00 33.01 31.30 2avv s GLN 18 CO 0.00 0.65 0.73 -0.51 -0.55 0.00 0.00 175.29 175.61 2avv s LEU 19 N -0.74 4.45 0.12 3.68 1.43 -1.26 -1.57 118.68 124.79 2avv s LEU 19 Ca 0.11 1.40 -0.06 0.00 -1.03 0.00 0.00 54.13 54.55 2avv s LEU 19 Cb -0.11 -3.17 -0.02 0.00 0.03 0.00 0.00 46.19 42.92 2avv s LEU 19 CO 0.02 0.04 0.17 -0.54 0.23 0.00 0.00 176.35 176.28 2avv s LYS 20 N -0.15 0.96 -0.07 1.70 1.02 -0.50 -5.00 119.74 117.70 2avv s LYS 20 Ca 0.37 -1.18 -0.04 0.00 0.02 0.00 0.00 55.97 55.14 2avv s LYS 20 Cb -0.20 0.32 -0.04 0.00 -0.52 0.00 0.00 37.83 37.39 2avv s LYS 20 CO 0.22 -0.31 0.13 -2.00 -0.92 0.00 0.00 175.35 172.47 2avv s GLU 21 N -3.95 3.33 0.10 1.68 2.12 -1.26 0.02 118.70 120.74 2avv s GLU 21 Ca 0.14 -0.27 -0.11 0.00 0.36 0.00 0.00 54.97 55.09 2avv s GLU 21 Cb 0.05 -3.07 0.01 0.00 0.26 0.00 0.00 34.13 31.38 2avv s GLU 21 CO -0.04 0.72 0.26 0.00 -0.54 0.00 0.00 175.26 175.66 2avv s ALA 22 N -1.12 -0.46 -0.18 6.30 0.00 0.16 -4.57 121.76 121.89 2avv s ALA 22 Ca 0.19 -0.41 -0.15 0.00 0.00 0.00 0.00 51.96 51.59 2avv s ALA 22 Cb -0.12 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 2avv s ALA 22 CO 0.09 -0.54 0.38 -1.17 0.00 0.00 0.00 175.76 174.52 2avv s LEU 23 N -2.79 4.19 -0.37 0.00 2.96 0.62 -0.47 118.68 122.81 2avv s LEU 23 Ca 0.04 0.54 -0.28 0.00 -0.22 0.00 0.00 54.13 54.21 2avv s LEU 23 Cb 0.04 -2.49 0.02 0.00 0.50 0.00 0.00 46.19 44.26 2avv s LEU 23 CO -0.11 -0.02 1.05 -0.76 -1.32 0.00 0.00 176.35 175.19 2avv s LEU 24 N 1.01 3.88 -0.31 -0.68 1.43 -0.13 -0.43 118.68 123.45 2avv s LEU 24 Ca 0.19 0.76 0.02 0.00 -1.03 0.00 0.00 54.13 54.06 2avv s LEU 24 Cb -0.14 -3.46 0.09 0.00 0.03 0.00 0.00 46.19 42.71 2avv s LEU 24 CO 0.07 -0.97 0.05 -0.62 0.23 0.00 0.00 176.35 175.11 2avv s ASP 25 N 1.93 4.33 0.57 2.29 -1.08 0.43 -4.77 116.67 120.37 2avv s ASP 25 Ca 0.44 -1.80 0.36 0.00 -0.52 0.00 0.00 52.55 51.03 2avv s ASP 25 Cb -0.11 -1.26 1.63 0.00 -1.46 0.00 0.00 42.92 41.72 2avv s ASP 25 CO 0.20 -0.37 2.07 0.71 0.52 0.00 0.00 175.17 178.31 2avv h THR 26 N 6.57 0.00 -0.00 1.71 1.35 -1.94 -2.36 112.91 118.24 2avv h THR 26 Ca -0.10 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2avv h THR 26 Cb 1.03 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 2avv h THR 26 CO 0.48 0.00 -0.03 0.61 -0.25 0.00 0.00 175.52 176.33 2avv n GLY 27 N -0.27 -1.36 3.65 5.82 0.00 -1.26 -4.80 105.19 106.96 2avv n GLY 27 Ca -0.00 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 2avv n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2avv s ALA 28 N -2.79 3.59 0.25 4.61 0.00 -0.89 -4.97 121.76 121.55 2avv s ALA 28 Ca 0.21 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.31 2avv s ALA 28 Cb 0.19 -2.41 0.32 0.00 0.00 0.00 0.00 23.12 21.22 2avv s ALA 28 CO 0.51 -0.29 1.66 -0.44 0.00 0.00 0.00 175.76 177.19 2avv h ASP 29 N 7.67 0.51 -1.87 0.00 3.32 -1.87 0.24 116.42 124.43 2avv h ASP 29 Ca -0.37 -0.20 -0.61 0.00 0.02 0.00 0.00 57.03 55.86 2avv h ASP 29 Cb 1.17 -0.14 -0.13 0.00 0.22 0.00 0.00 39.33 40.45 2avv h ASP 29 CO 0.65 0.82 -0.52 -1.81 -1.72 0.00 0.00 179.24 176.65 2avv s ASP 30 N -6.84 3.41 -0.17 6.45 1.01 -1.26 -3.16 116.67 116.12 2avv s ASP 30 Ca -0.07 -1.65 -0.02 0.00 0.71 0.00 0.00 52.55 51.52 2avv s ASP 30 Cb 0.13 0.47 -0.01 0.00 1.01 0.00 0.00 42.92 44.52 2avv s ASP 30 CO 0.80 -0.88 -0.10 -0.89 0.21 0.00 0.00 175.17 174.32 2avv s THR 31 N -3.05 3.19 -0.04 -1.27 2.01 -1.26 -3.07 115.64 112.16 2avv s THR 31 Ca 0.16 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.58 2avv s THR 31 Cb 0.02 -2.38 0.02 0.00 0.01 0.00 0.00 72.50 70.17 2avv s THR 31 CO 0.10 0.49 -0.03 0.54 -0.69 0.00 0.00 174.62 175.03 2avv s VAL 32 N 0.78 0.38 -0.02 3.82 0.11 -0.34 -1.20 120.40 123.94 2avv s VAL 32 Ca -0.04 -0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.01 2avv s VAL 32 Cb -0.15 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.23 2avv s VAL 32 CO 0.01 0.19 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.25 2avv s ILE 33 N 0.98 3.43 0.64 7.04 -1.09 0.23 -0.80 121.20 131.63 2avv s ILE 33 Ca -0.10 -0.76 -0.18 0.00 -2.23 0.00 0.00 60.65 57.38 2avv s ILE 33 Cb -0.14 -2.44 -0.02 0.00 -1.58 0.00 0.00 42.46 38.28 2avv s ILE 33 CO -0.01 0.46 1.09 -0.62 -1.23 0.00 0.00 174.94 174.64 2avv n GLU 34 N 1.83 0.89 -1.55 2.79 1.02 -1.26 -1.89 120.64 122.47 2avv n GLU 34 Ca -0.16 0.36 -0.56 0.00 -0.02 0.00 0.00 57.16 56.77 2avv n GLU 34 Cb 0.52 -2.32 -0.07 0.00 -0.02 0.00 0.00 31.44 29.56 2avv n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2avv n GLU 35 N -1.54 0.52 -3.46 3.49 1.02 -0.94 -4.63 120.64 115.09 2avv n GLU 35 Ca 0.15 0.19 -0.11 0.00 -0.02 0.00 0.00 57.16 57.36 2avv n GLU 35 Cb 0.48 -1.75 -0.02 0.00 -0.02 0.00 0.00 31.44 30.13 2avv n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2avv s MET 36 N 0.35 1.27 -0.34 3.49 0.23 -1.26 -5.02 119.30 118.03 2avv s MET 36 Ca 0.89 -0.49 -0.29 0.00 -1.03 0.00 0.00 55.69 54.76 2avv s MET 36 Cb -1.14 0.57 0.01 0.00 -1.53 0.00 0.00 34.83 32.75 2avv s MET 36 CO 0.53 -0.56 1.14 -1.12 -2.03 0.00 0.00 175.02 172.99 2avv s SER 37 N -2.74 6.82 -0.06 -1.18 0.01 -1.26 -5.02 113.70 110.27 2avv s SER 37 Ca 0.02 1.01 0.01 0.00 1.31 0.00 0.00 55.95 58.30 2avv s SER 37 Cb -0.01 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.69 2avv s SER 37 CO -0.11 -0.99 -0.08 -0.22 0.41 0.00 0.00 173.24 172.25 2avv s LEU 38 N 3.96 1.41 0.73 2.44 2.96 -1.26 -4.98 118.68 123.94 2avv s LEU 38 Ca 0.49 -0.22 -0.11 0.00 -0.22 0.00 0.00 54.13 54.06 2avv s LEU 38 Cb -0.13 -0.66 0.03 0.00 0.50 0.00 0.00 46.19 45.94 2avv s LEU 38 CO 0.20 -0.03 1.08 -2.16 -1.32 0.00 0.00 176.35 174.12 2avv s PRO 39 N 0.95 2.55 0.00 0.98 0.04 -1.26 -4.97 135.00 133.30 2avv s PRO 39 Ca -0.10 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.09 2avv s PRO 39 Cb -0.15 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2avv s PRO 39 CO 0.00 -1.41 0.00 0.41 0.04 0.00 0.00 177.00 176.04 2avv n GLY 40 N -1.30 3.26 3.81 0.56 0.00 -1.26 -5.05 105.19 105.22 2avv n GLY 40 Ca 0.09 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 43.82 2avv n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2avv s ARG 41 N -3.10 3.95 0.23 1.61 3.52 -1.26 -5.07 118.95 118.84 2avv s ARG 41 Ca 0.00 1.19 -0.12 0.00 -0.13 0.00 0.00 55.73 56.66 2avv s ARG 41 Cb 0.00 -2.13 -0.00 0.00 -1.56 0.00 0.00 34.95 31.26 2avv s ARG 41 CO 0.00 -0.28 0.44 1.67 -0.81 0.00 0.00 175.30 176.32 2avv s TRP 42 N -2.20 0.35 0.03 5.12 1.48 -1.26 -4.47 118.94 117.98 2avv s TRP 42 Ca 0.64 -0.71 -0.01 0.00 -1.06 0.00 0.00 56.10 54.96 2avv s TRP 42 Cb -0.12 0.14 -0.02 0.00 -1.16 0.00 0.00 33.47 32.31 2avv s TRP 42 CO 0.20 -0.93 -0.01 -1.59 -4.06 0.00 0.00 176.95 170.56 2avv s LYS 43 N -4.00 0.39 0.45 3.25 -2.85 -0.66 -4.92 119.74 111.39 2avv s LYS 43 Ca 0.21 -0.72 -0.23 0.00 -1.00 0.00 0.00 55.97 54.24 2avv s LYS 43 Cb 0.00 0.14 -0.08 0.00 -2.06 0.00 0.00 37.83 35.83 2avv s LYS 43 CO 0.07 -0.07 1.10 -1.25 0.10 0.00 0.00 175.35 175.29 2avv s PRO 44 N -1.98 3.89 0.03 1.78 0.04 -1.26 -0.18 135.00 137.32 2avv s PRO 44 Ca -0.11 1.59 -0.14 0.00 0.04 0.00 0.00 61.00 62.38 2avv s PRO 44 Cb -0.06 -2.37 0.02 0.00 0.04 0.00 0.00 34.50 32.13 2avv s PRO 44 CO -0.03 -0.40 0.30 0.21 0.04 0.00 0.00 177.00 177.12 2avv s LYS 45 N -2.76 0.77 -0.12 4.56 2.20 -0.51 -4.86 119.74 119.02 2avv s LYS 45 Ca 0.63 -0.43 -0.05 0.00 -0.36 0.00 0.00 55.97 55.76 2avv s LYS 45 Cb -0.24 0.33 -0.04 0.00 -1.51 0.00 0.00 37.83 36.38 2avv s LYS 45 CO 0.29 -0.24 0.06 -1.64 -0.36 0.00 0.00 175.35 173.47 2avv s MET 46 N -2.24 3.38 0.04 4.03 -1.94 -1.26 0.10 119.30 121.41 2avv s MET 46 Ca -0.07 -0.29 0.06 0.00 -1.71 0.00 0.00 55.69 53.67 2avv s MET 46 Cb -0.02 -3.03 -0.02 0.00 2.01 0.00 0.00 34.83 33.76 2avv s MET 46 CO -0.01 0.63 -0.17 0.96 -0.01 0.00 0.00 175.02 176.41 2avv s ILE 47 N -0.64 1.36 -0.03 2.53 -4.36 -0.56 -4.97 121.20 114.53 2avv s ILE 47 Ca 0.11 -1.07 0.05 0.00 -0.26 0.00 0.00 60.65 59.48 2avv s ILE 47 Cb -0.12 -1.20 -0.03 0.00 1.25 0.00 0.00 42.46 42.37 2avv s ILE 47 CO 0.02 0.10 -0.16 -0.83 0.24 0.00 0.00 174.94 174.32 2avv s GLY 48 N -1.13 1.51 0.00 6.27 0.00 -1.26 -0.91 107.32 111.80 2avv s GLY 48 Ca 0.04 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.74 2avv s GLY 48 CO 0.01 -0.83 0.00 0.61 0.00 0.00 0.00 173.10 172.90 2avv n GLY 49 N 2.22 5.03 3.76 0.20 0.00 -0.24 -4.97 105.19 111.19 2avv n GLY 49 Ca -0.17 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.20 2avv n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2avv s ILE 50 N -0.51 2.79 0.00 -0.61 1.01 -1.26 -2.77 121.20 119.86 2avv s ILE 50 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 60.65 61.38 2avv s ILE 50 Cb 0.00 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 39.00 2avv s ILE 50 CO 0.00 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.70 2avv n GLY 51 N 1.48 3.14 0.00 6.18 0.00 -1.26 -4.93 105.19 109.80 2avv n GLY 51 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2avv n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2avv n GLY 52 N -2.00 0.64 3.86 -0.02 0.00 -1.11 -5.10 105.19 101.45 2avv n GLY 52 Ca 0.00 -2.10 -0.25 0.00 0.00 0.00 0.00 46.02 43.68 2avv n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2avv s PHE 53 N -1.11 3.26 0.09 1.61 0.40 -1.26 -1.08 117.98 119.89 2avv s PHE 53 Ca 0.00 0.00 0.07 0.00 -0.60 0.00 0.00 56.93 56.40 2avv s PHE 53 Cb 0.00 -1.54 -0.03 0.00 0.51 0.00 0.00 43.02 41.96 2avv s PHE 53 CO 0.00 0.51 -0.18 0.96 0.70 0.00 0.00 175.22 177.21 2avv s ILE 54 N -1.83 1.45 -0.13 0.64 -4.36 -0.09 -4.96 121.20 111.91 2avv s ILE 54 Ca 0.32 -1.42 -0.17 0.00 -0.26 0.00 0.00 60.65 59.13 2avv s ILE 54 Cb -0.10 -1.34 -0.04 0.00 1.25 0.00 0.00 42.46 42.23 2avv s ILE 54 CO 0.26 -0.12 0.43 -0.75 0.24 0.00 0.00 174.94 175.00 2avv s LYS 55 N -1.79 4.31 0.28 0.37 2.20 -1.26 -1.50 119.74 122.35 2avv s LYS 55 Ca 0.03 0.35 0.02 0.00 -0.36 0.00 0.00 55.97 56.01 2avv s LYS 55 Cb -0.10 -3.44 -0.05 0.00 -1.51 0.00 0.00 37.83 32.73 2avv s LYS 55 CO 0.03 0.17 0.10 0.14 -0.36 0.00 0.00 175.35 175.43 2avv s VAL 56 N 0.62 0.57 -0.24 4.02 -7.23 0.11 -4.52 120.40 113.74 2avv s VAL 56 Ca 0.23 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.28 2avv s VAL 56 Cb -0.15 -2.62 -0.05 0.00 0.56 0.00 0.00 36.38 34.13 2avv s VAL 56 CO 0.09 0.00 0.23 -0.13 -0.31 0.00 0.00 175.10 174.98 2avv s ARG 57 N -3.98 4.06 -0.31 4.82 0.52 0.92 -1.42 118.95 123.56 2avv s ARG 57 Ca 0.37 -0.16 -0.15 0.00 -0.52 0.00 0.00 55.73 55.27 2avv s ARG 57 Cb 0.07 -3.58 -0.02 0.00 0.52 0.00 0.00 34.95 31.95 2avv s ARG 57 CO 0.14 -0.04 0.39 -1.14 0.02 0.00 0.00 175.30 174.67 2avv s GLN 58 N 1.35 3.76 -0.25 3.54 0.74 0.75 -0.10 119.66 129.45 2avv s GLN 58 Ca 0.10 -0.19 -0.06 0.00 0.05 0.00 0.00 55.36 55.26 2avv s GLN 58 Cb -0.14 -3.74 -0.01 0.00 1.10 0.00 0.00 33.01 30.21 2avv s GLN 58 CO 0.07 -0.44 0.02 0.71 -0.55 0.00 0.00 175.29 175.10 2avv s TYR 59 N 2.10 3.04 0.28 1.67 1.51 -0.16 -1.66 117.35 124.13 2avv s TYR 59 Ca 0.14 -0.79 -0.19 0.00 -1.01 0.00 0.00 57.07 55.22 2avv s TYR 59 Cb -0.16 -2.18 -0.09 0.00 -0.11 0.00 0.00 41.96 39.42 2avv s TYR 59 CO 0.11 -0.49 0.77 -0.51 -1.11 0.00 0.00 175.55 174.32 2avv s ASP 60 N 1.52 6.99 -1.22 2.29 1.01 -1.26 -1.09 116.67 124.91 2avv s ASP 60 Ca 0.05 1.44 -0.02 0.00 0.71 0.00 0.00 52.55 54.73 2avv s ASP 60 Cb -0.15 -2.43 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 2avv s ASP 60 CO 0.00 -0.08 0.84 0.00 0.21 0.00 0.00 175.17 176.14 2avv n GLN 61 N 0.27 -4.85 -3.63 8.23 6.02 -1.07 -4.93 117.38 117.41 2avv n GLN 61 Ca 0.01 0.72 -0.36 0.00 -0.01 0.00 0.00 57.00 57.36 2avv n GLN 61 Cb 0.52 -5.43 -0.07 0.00 1.02 0.00 0.00 30.24 26.28 2avv n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2avv s ILE 62 N -3.51 5.33 0.12 5.09 -1.09 0.36 -4.78 121.20 122.72 2avv s ILE 62 Ca 0.10 0.45 -0.30 0.00 -2.23 0.00 0.00 60.65 58.67 2avv s ILE 62 Cb -0.02 -3.57 -0.06 0.00 -1.58 0.00 0.00 42.46 37.23 2avv s ILE 62 CO 0.78 0.45 1.04 -0.63 -1.23 0.00 0.00 174.94 175.35 2avv s ILE 63 N 0.06 4.25 0.00 2.92 1.01 -1.26 -1.57 121.20 126.60 2avv s ILE 63 Ca 0.15 1.83 -0.05 0.00 0.00 0.00 0.00 60.65 62.58 2avv s ILE 63 Cb -0.13 -4.17 -0.00 0.00 0.01 0.00 0.00 42.46 38.17 2avv s ILE 63 CO 0.04 0.26 0.10 -0.51 0.00 0.00 0.00 174.94 174.83 2avv s ILE 64 N 0.13 0.08 -0.10 2.92 2.07 0.09 -4.51 121.20 121.87 2avv s ILE 64 Ca 0.50 -0.70 0.03 0.00 -1.41 0.00 0.00 60.65 59.07 2avv s ILE 64 Cb -0.26 -0.38 -0.00 0.00 0.13 0.00 0.00 42.46 41.95 2avv s ILE 64 CO 0.31 -0.38 -0.21 -0.70 -1.91 0.00 0.00 174.94 172.05 2avv s GLU 65 N -1.32 3.10 -0.20 3.50 2.12 -0.29 -0.12 118.70 125.50 2avv s GLU 65 Ca -0.14 -0.83 0.01 0.00 0.36 0.00 0.00 54.97 54.36 2avv s GLU 65 Cb -0.08 -2.37 0.04 0.00 0.26 0.00 0.00 34.13 31.99 2avv s GLU 65 CO 0.01 0.20 -0.09 0.42 -0.54 0.00 0.00 175.26 175.26 2avv s ILE 66 N 0.31 1.58 -1.48 -3.70 1.01 0.07 -1.16 121.20 117.83 2avv s ILE 66 Ca -0.16 -0.99 -0.07 0.00 0.00 0.00 0.00 60.65 59.43 2avv s ILE 66 Cb -0.17 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.62 2avv s ILE 66 CO 0.08 0.14 0.15 0.00 0.00 0.00 0.00 174.94 175.31 2avv n ALA 67 N 4.70 -2.13 -0.88 9.38 0.00 -0.69 -0.80 120.51 130.09 2avv n ALA 67 Ca -0.14 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.85 2avv n ALA 67 Cb 0.46 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2avv n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2avv n GLY 68 N -2.47 0.79 3.41 0.00 0.00 -1.26 -5.02 105.19 100.64 2avv n GLY 68 Ca -0.29 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 2avv n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2avv s HIS 69 N -3.06 3.15 0.34 1.61 4.02 0.02 -5.09 115.29 116.28 2avv s HIS 69 Ca 0.00 -0.67 -0.20 0.00 1.02 0.00 0.00 55.06 55.20 2avv s HIS 69 Cb 0.00 -2.30 -0.10 0.00 -1.02 0.00 0.00 32.58 29.16 2avv s HIS 69 CO 0.00 -0.47 0.86 0.15 1.02 0.00 0.00 174.74 176.29 2avv s LYS 70 N 1.58 4.26 0.19 1.40 -0.14 -1.26 -0.75 119.74 125.01 2avv s LYS 70 Ca 0.04 1.01 -0.14 0.00 -1.36 0.00 0.00 55.97 55.52 2avv s LYS 70 Cb -0.17 -2.51 0.01 0.00 -1.68 0.00 0.00 37.83 33.49 2avv s LYS 70 CO 0.04 0.16 0.45 0.00 -0.76 0.00 0.00 175.35 175.24 2avv s ALA 71 N -1.89 -0.59 -0.08 5.17 0.00 0.83 -4.94 121.76 120.27 2avv s ALA 71 Ca 0.54 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 52.02 2avv s ALA 71 Cb -0.13 0.87 0.02 0.00 0.00 0.00 0.00 23.12 23.88 2avv s ALA 71 CO 0.18 -0.76 -0.10 0.42 0.00 0.00 0.00 175.76 175.49 2avv s ILE 72 N -3.92 1.09 0.15 0.00 1.01 -1.26 -0.74 121.20 117.53 2avv s ILE 72 Ca 0.13 -0.41 -0.07 0.00 0.00 0.00 0.00 60.65 60.30 2avv s ILE 72 Cb 0.00 -1.03 0.03 0.00 0.01 0.00 0.00 42.46 41.47 2avv s ILE 72 CO -0.01 0.36 0.35 -1.54 0.00 0.00 0.00 174.94 174.10 2avv n SER 73 N 4.22 -0.91 -4.74 3.58 3.41 -0.61 -4.87 113.62 113.70 2avv n SER 73 Ca -0.19 -1.60 -0.40 0.00 -0.26 0.00 0.00 58.87 56.41 2avv n SER 73 Cb 0.51 1.51 -0.05 0.00 -0.26 0.00 0.00 64.21 65.92 2avv n SER 73 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2avv s THR 74 N -2.56 4.73 -0.05 6.66 2.01 -1.26 -0.49 115.64 124.67 2avv s THR 74 Ca 0.07 1.73 0.03 0.00 0.31 0.00 0.00 61.69 63.84 2avv s THR 74 Cb -0.02 -4.16 0.01 0.00 0.01 0.00 0.00 72.50 68.33 2avv s THR 74 CO 0.04 0.33 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.47 2avv s VAL 75 N 0.14 1.21 -0.08 3.82 1.01 -0.25 -4.60 120.40 121.65 2avv s VAL 75 Ca 0.41 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 2avv s VAL 75 Cb -0.21 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 2avv s VAL 75 CO 0.24 0.36 0.11 -0.76 0.00 0.00 0.00 175.10 175.06 2avv s LEU 76 N 0.40 4.15 -0.09 3.92 1.43 -0.34 -0.99 118.68 127.16 2avv s LEU 76 Ca -0.10 0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.36 2avv s LEU 76 Cb -0.14 -2.12 0.01 0.00 0.03 0.00 0.00 46.19 43.98 2avv s LEU 76 CO 0.03 0.36 -0.13 -0.69 0.23 0.00 0.00 176.35 176.15 2avv s VAL 77 N -1.06 1.30 -0.00 -1.59 1.01 0.85 -0.60 120.40 120.30 2avv s VAL 77 Ca 0.17 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 2avv s VAL 77 Cb -0.12 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.08 2avv s VAL 77 CO 0.07 0.40 0.13 0.61 0.00 0.00 0.00 175.10 176.31 2avv n GLY 78 N 4.03 0.54 2.22 4.51 0.00 -0.79 -0.05 105.19 115.64 2avv n GLY 78 Ca -0.20 -0.85 -0.24 0.00 0.00 0.00 0.00 46.02 44.73 2avv n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2avv n PRO 79 N -0.09 2.76 -2.66 1.61 -0.04 -1.26 -2.22 135.00 133.09 2avv n PRO 79 Ca 0.01 -1.80 -0.37 0.00 -0.04 0.00 0.00 63.50 61.29 2avv n PRO 79 Cb 0.06 -2.28 -0.05 0.00 -0.04 0.00 0.00 33.50 31.18 2avv n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2avv s THR 80 N 0.42 3.94 0.25 0.52 -1.32 -1.26 -4.97 115.64 113.22 2avv s THR 80 Ca 0.65 1.63 0.21 0.00 -1.21 0.00 0.00 61.69 62.96 2avv s THR 80 Cb 0.29 -3.91 0.19 0.00 -1.51 0.00 0.00 72.50 67.55 2avv s THR 80 CO -0.07 0.14 1.85 -0.65 -2.21 0.00 0.00 174.62 173.68 2avv h PRO 81 N 3.08 0.00 -3.69 7.08 0.11 -1.98 -3.43 132.00 133.17 2avv h PRO 81 Ca -0.47 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 2avv h PRO 81 Cb 1.20 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.13 2avv h PRO 81 CO 0.64 0.28 -0.48 0.14 -0.21 0.00 0.00 178.00 178.37 2avv s VAL 82 N -3.84 0.12 -0.05 3.15 -7.23 -1.26 -5.06 120.40 106.23 2avv s VAL 82 Ca -0.01 -0.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.89 2avv s VAL 82 Cb 0.12 -0.82 -0.04 0.00 0.56 0.00 0.00 36.38 36.20 2avv s VAL 82 CO 0.66 -0.53 1.32 0.20 -0.31 0.00 0.00 175.10 176.44 2avv s ASN 83 N -1.99 6.92 -0.13 4.85 0.01 -1.26 -4.64 114.94 118.70 2avv s ASN 83 Ca -0.07 1.94 0.03 0.00 -0.71 0.00 0.00 52.86 54.05 2avv s ASN 83 Cb -0.02 -2.55 0.01 0.00 0.41 0.00 0.00 41.25 39.09 2avv s ASN 83 CO -0.03 -0.69 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.02 2avv s ILE 84 N 2.63 2.02 -0.40 0.60 1.01 0.02 -0.28 121.20 126.81 2avv s ILE 84 Ca 0.60 -0.96 -0.16 0.00 0.00 0.00 0.00 60.65 60.13 2avv s ILE 84 Cb -0.27 -1.78 0.01 0.00 0.01 0.00 0.00 42.46 40.42 2avv s ILE 84 CO 0.23 0.54 0.36 -0.63 0.00 0.00 0.00 174.94 175.45 2avv s ILE 85 N 0.76 5.17 0.49 2.92 -1.09 0.43 -1.19 121.20 128.69 2avv s ILE 85 Ca -0.09 -0.41 0.06 0.00 -2.23 0.00 0.00 60.65 57.99 2avv s ILE 85 Cb -0.16 -3.95 0.08 0.00 -1.58 0.00 0.00 42.46 36.86 2avv s ILE 85 CO -0.00 -0.31 0.67 0.61 -1.23 0.00 0.00 174.94 174.67 2avv n GLY 86 N 5.11 1.73 0.25 6.18 0.00 -1.17 -0.42 105.19 116.86 2avv n GLY 86 Ca -0.09 -2.17 0.07 0.00 0.00 0.00 0.00 46.02 43.82 2avv n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2avv h ARG 87 N 0.00 0.02 -0.45 1.61 3.08 -1.01 -0.62 114.38 117.00 2avv h ARG 87 Ca -0.23 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.88 2avv h ARG 87 Cb 1.00 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.02 2avv h ARG 87 CO 0.31 0.07 0.30 -2.95 -1.07 0.00 0.00 179.97 176.63 2avv h ASN 88 N 0.02 0.34 0.12 7.04 -1.07 -1.80 -0.84 115.58 119.40 2avv h ASN 88 Ca 0.01 -0.00 -0.35 0.00 0.07 0.00 0.00 56.30 56.02 2avv h ASN 88 Cb 0.09 -0.07 -0.06 0.00 -2.07 0.00 0.00 38.32 36.20 2avv h ASN 88 CO 0.01 0.23 -2.22 0.18 0.07 0.00 0.00 177.43 175.70 2avv n LEU 89 N -4.48 0.45 -0.29 6.14 7.99 -0.37 -4.01 117.00 122.43 2avv n LEU 89 Ca 0.06 0.10 -0.04 0.00 -0.01 0.00 0.00 56.01 56.12 2avv n LEU 89 Cb 0.24 0.30 0.07 0.00 -0.11 0.00 0.00 43.42 43.92 2avv n LEU 89 CO 0.35 0.51 1.19 -0.07 -1.51 0.00 0.00 177.39 177.85 2avv h LEU 90 N 0.00 0.94 -1.19 2.23 3.38 -0.91 -1.41 115.31 118.35 2avv h LEU 90 Ca -0.48 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.40 2avv h LEU 90 Cb 2.17 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.66 2avv h LEU 90 CO 0.04 0.70 0.13 0.71 0.09 0.00 0.00 178.44 180.11 2avv h THR 91 N 1.09 1.20 0.00 0.22 1.35 -1.35 -1.13 112.91 114.29 2avv h THR 91 Ca 0.29 -0.69 -0.09 0.00 -0.55 0.00 0.00 66.41 65.36 2avv h THR 91 Cb -0.09 0.70 -0.01 0.00 -1.73 0.00 0.00 68.15 67.02 2avv h THR 91 CO -0.06 0.26 -0.45 1.56 -0.25 0.00 0.00 175.52 176.58 2avv h GLN 92 N 0.68 0.00 -0.59 4.72 1.08 -1.41 -2.51 115.11 117.08 2avv h GLN 92 Ca 0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 2avv h GLN 92 Cb 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 2avv h GLN 92 CO -0.01 0.45 0.00 0.44 -0.95 0.00 0.00 178.83 178.76 2avv n ILE 93 N -3.99 0.83 -1.36 2.54 -5.35 -0.86 -4.94 119.36 106.23 2avv n ILE 93 Ca -0.02 -0.80 -0.05 0.00 -0.27 0.00 0.00 62.75 61.62 2avv n ILE 93 Cb 0.47 0.37 -0.02 0.00 -1.74 0.00 0.00 39.64 38.73 2avv n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2avv n GLY 94 N 1.41 0.61 3.77 3.28 0.00 -0.95 -5.01 105.19 108.30 2avv n GLY 94 Ca 0.20 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 2avv n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2avv s ALA 95 N -2.19 3.26 0.10 4.61 0.00 -0.46 -5.02 121.76 122.07 2avv s ALA 95 Ca 0.00 0.86 0.04 0.00 0.00 0.00 0.00 51.96 52.86 2avv s ALA 95 Cb 0.00 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 2avv s ALA 95 CO 0.00 -0.26 -0.10 0.95 0.00 0.00 0.00 175.76 176.35 2avv s THR 96 N -1.36 1.00 -0.26 0.00 -4.23 -1.26 -4.67 115.64 104.85 2avv s THR 96 Ca 0.51 -1.70 -0.10 0.00 -1.18 0.00 0.00 61.69 59.22 2avv s THR 96 Cb -0.29 -1.43 -0.05 0.00 1.34 0.00 0.00 72.50 72.07 2avv s THR 96 CO 0.37 -0.57 0.16 -0.76 -0.54 0.00 0.00 174.62 173.28 2avv s LEU 97 N -2.53 3.99 -0.07 4.79 1.43 -1.26 -5.09 118.68 119.94 2avv s LEU 97 Ca 0.07 0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.24 2avv s LEU 97 Cb -0.02 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 44.10 2avv s LEU 97 CO 0.00 0.01 -0.24 0.20 0.23 0.00 0.00 176.35 176.54 2avv s ASN 98 N 1.42 3.02 0.00 2.29 0.02 -1.26 -5.29 114.94 115.13 2avv s ASN 98 Ca 0.07 -0.52 0.00 0.00 -1.02 0.00 0.00 52.86 51.39 2avv s ASN 98 Cb -0.15 -0.99 0.00 0.00 0.02 0.00 0.00 41.25 40.13 2avv s ASN 98 CO 0.07 0.21 0.00 2.22 0.02 0.00 0.00 177.10 179.63