#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aoe s GLN 2 N 0.00 3.43 -0.25 0.54 0.74 -1.26 -5.09 119.66 117.77 2aoe s GLN 2 Ca 0.00 -0.61 -0.07 0.00 0.05 0.00 0.00 55.36 54.73 2aoe s GLN 2 Cb 0.00 -2.97 -0.02 0.00 1.10 0.00 0.00 33.01 31.12 2aoe s GLN 2 CO 0.00 -0.09 0.06 0.42 -0.55 0.00 0.00 175.29 175.13 2aoe s ILE 3 N 1.20 4.17 0.70 -2.34 1.01 -1.26 -5.09 121.20 119.58 2aoe s ILE 3 Ca 0.02 -0.26 -0.09 0.00 0.00 0.00 0.00 60.65 60.32 2aoe s ILE 3 Cb -0.14 -2.97 0.04 0.00 0.01 0.00 0.00 42.46 39.40 2aoe s ILE 3 CO -0.01 0.32 1.04 0.42 0.00 0.00 0.00 174.94 176.71 2aoe s THR 4 N 1.59 2.92 -0.19 2.92 -4.23 -1.26 -5.00 115.64 112.39 2aoe s THR 4 Ca 0.06 0.07 0.16 0.00 -1.18 0.00 0.00 61.69 60.80 2aoe s THR 4 Cb -0.15 -3.25 0.43 0.00 1.34 0.00 0.00 72.50 70.87 2aoe s THR 4 CO 0.03 -0.30 1.32 0.18 -0.54 0.00 0.00 174.62 175.31 2aoe n LEU 5 N -2.94 3.30 0.19 4.79 4.77 -1.26 -4.48 117.00 121.38 2aoe n LEU 5 Ca 0.07 -3.26 0.05 0.00 -0.03 0.00 0.00 56.01 52.84 2aoe n LEU 5 Cb 0.59 -0.52 0.50 0.00 -2.33 0.00 0.00 43.42 41.66 2aoe n LEU 5 CO 0.55 0.86 0.95 -0.50 -1.33 0.00 0.00 177.39 177.92 2aoe h TRP 6 N 0.97 0.09 -2.25 -1.77 4.06 -2.06 -3.44 115.95 111.55 2aoe h TRP 6 Ca 0.04 -0.01 -0.55 0.00 2.06 0.00 0.00 58.89 60.43 2aoe h TRP 6 Cb 1.29 -0.03 -0.13 0.00 -1.00 0.00 0.00 29.16 29.29 2aoe h TRP 6 CO 0.45 0.19 -0.61 0.15 -3.56 0.00 0.00 178.44 175.06 2aoe s LYS 7 N -4.81 1.79 0.27 0.49 -0.14 -1.26 -5.11 119.74 110.97 2aoe s LYS 7 Ca -0.05 -1.99 -0.30 0.00 -1.36 0.00 0.00 55.97 52.27 2aoe s LYS 7 Cb 0.16 -1.27 -0.11 0.00 -1.68 0.00 0.00 37.83 34.92 2aoe s LYS 7 CO 0.70 -0.09 1.58 1.03 -0.76 0.00 0.00 175.35 177.80 2aoe s ARG 8 N -3.79 4.15 -1.24 1.68 0.52 -1.26 -4.89 118.95 114.13 2aoe s ARG 8 Ca 0.35 2.52 -0.19 0.00 -0.52 0.00 0.00 55.73 57.89 2aoe s ARG 8 Cb 0.09 -3.05 0.05 0.00 0.52 0.00 0.00 34.95 32.55 2aoe s ARG 8 CO 0.16 -0.60 1.73 -1.25 0.02 0.00 0.00 175.30 175.36 2aoe s PRO 9 N -0.25 3.72 -0.12 3.54 0.04 -1.26 -4.95 135.00 135.72 2aoe s PRO 9 Ca 0.64 -1.74 -0.11 0.00 0.04 0.00 0.00 61.00 59.83 2aoe s PRO 9 Cb -0.47 -5.47 -0.05 0.00 0.04 0.00 0.00 34.50 28.56 2aoe s PRO 9 CO 0.45 -2.49 0.25 -0.51 0.04 0.00 0.00 177.00 174.74 2aoe s LEU 10 N 5.30 4.34 0.14 -3.56 1.43 -1.26 -1.15 118.68 123.91 2aoe s LEU 10 Ca 0.55 0.56 0.02 0.00 -1.03 0.00 0.00 54.13 54.23 2aoe s LEU 10 Cb 0.03 -2.29 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 2aoe s LEU 10 CO 0.06 0.26 -0.03 0.68 0.23 0.00 0.00 176.35 177.55 2aoe s VAL 11 N -0.37 0.72 0.03 -1.59 -7.23 0.46 -4.96 120.40 107.45 2aoe s VAL 11 Ca 0.17 -1.97 -0.21 0.00 -1.81 0.00 0.00 61.98 58.15 2aoe s VAL 11 Cb -0.13 -1.93 -0.06 0.00 0.56 0.00 0.00 36.38 34.82 2aoe s VAL 11 CO 0.05 -0.65 0.63 -0.89 -0.31 0.00 0.00 175.10 173.93 2aoe s THR 12 N -3.62 4.82 0.23 5.32 2.01 -1.26 -0.85 115.64 122.28 2aoe s THR 12 Ca 0.19 1.33 0.09 0.00 0.31 0.00 0.00 61.69 63.61 2aoe s THR 12 Cb 0.05 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 2aoe s THR 12 CO 0.00 0.44 -0.16 0.27 -0.69 0.00 0.00 174.62 174.48 2aoe s ILE 13 N -0.39 2.01 -0.11 1.82 -4.36 0.24 -1.07 121.20 119.34 2aoe s ILE 13 Ca 0.32 -2.28 0.01 0.00 -0.26 0.00 0.00 60.65 58.43 2aoe s ILE 13 Cb -0.19 -2.14 0.02 0.00 1.25 0.00 0.00 42.46 41.40 2aoe s ILE 13 CO 0.19 -0.52 -0.11 -0.75 0.24 0.00 0.00 174.94 173.99 2aoe s LYS 14 N -3.60 1.79 -0.06 0.37 2.20 0.20 -1.23 119.74 119.41 2aoe s LYS 14 Ca 0.25 -0.38 -0.03 0.00 -0.36 0.00 0.00 55.97 55.45 2aoe s LYS 14 Cb -0.02 -1.67 0.03 0.00 -1.51 0.00 0.00 37.83 34.66 2aoe s LYS 14 CO 0.10 -0.16 0.14 -1.50 -0.36 0.00 0.00 175.35 173.56 2aoe s ILE 15 N 1.32 -0.04 -1.68 5.43 2.07 -0.45 -0.74 121.20 127.12 2aoe s ILE 15 Ca -0.01 0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.37 2aoe s ILE 15 Cb -0.14 -0.22 0.00 0.00 0.13 0.00 0.00 42.46 42.23 2aoe s ILE 15 CO -0.05 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 2aoe n GLY 16 N 3.93 -0.02 2.74 1.50 0.00 -1.26 -0.73 105.19 111.34 2aoe n GLY 16 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2aoe n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aoe n GLY 17 N -0.83 0.89 3.65 -0.02 0.00 -1.26 -5.02 105.19 102.60 2aoe n GLY 17 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 2aoe n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2aoe s GLN 18 N -0.02 3.41 -0.00 1.61 -0.21 0.09 -5.10 119.66 119.44 2aoe s GLN 18 Ca 0.00 -0.39 -0.25 0.00 0.02 0.00 0.00 55.36 54.74 2aoe s GLN 18 Cb 0.00 -2.95 -0.05 0.00 1.00 0.00 0.00 33.01 31.01 2aoe s GLN 18 CO 0.00 0.51 0.75 -0.51 -2.12 0.00 0.00 175.29 173.92 2aoe s LEU 19 N -0.33 4.39 0.09 2.90 1.43 -1.26 -1.34 118.68 124.56 2aoe s LEU 19 Ca 0.07 1.35 0.01 0.00 -1.03 0.00 0.00 54.13 54.54 2aoe s LEU 19 Cb -0.12 -3.19 -0.04 0.00 0.03 0.00 0.00 46.19 42.87 2aoe s LEU 19 CO 0.02 -0.05 -0.06 -0.54 0.23 0.00 0.00 176.35 175.94 2aoe s LYS 20 N 0.35 0.81 -0.02 1.70 1.02 -0.37 -4.99 119.74 118.24 2aoe s LYS 20 Ca 0.39 -1.32 -0.11 0.00 0.02 0.00 0.00 55.97 54.95 2aoe s LYS 20 Cb -0.19 -0.17 -0.05 0.00 -0.52 0.00 0.00 37.83 36.89 2aoe s LYS 20 CO 0.21 -0.02 0.31 -1.21 -0.92 0.00 0.00 175.35 173.72 2aoe s GLU 21 N -3.81 3.72 0.04 1.68 0.41 -1.26 -0.59 118.70 118.89 2aoe s GLU 21 Ca 0.11 0.17 -0.08 0.00 -0.41 0.00 0.00 54.97 54.76 2aoe s GLU 21 Cb 0.05 -3.17 -0.00 0.00 -1.78 0.00 0.00 34.13 29.23 2aoe s GLU 21 CO -0.05 0.70 0.16 0.00 -0.49 0.00 0.00 175.26 175.58 2aoe s ALA 22 N -1.13 -0.27 -0.14 5.21 0.00 -0.03 -4.52 121.76 120.88 2aoe s ALA 22 Ca 0.23 -0.36 -0.16 0.00 0.00 0.00 0.00 51.96 51.66 2aoe s ALA 22 Cb -0.15 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 2aoe s ALA 22 CO 0.12 -0.35 0.39 -1.17 0.00 0.00 0.00 175.76 174.75 2aoe s LEU 23 N -2.09 4.26 -0.39 0.00 2.96 0.01 -0.41 118.68 123.03 2aoe s LEU 23 Ca -0.05 0.67 -0.27 0.00 -0.22 0.00 0.00 54.13 54.26 2aoe s LEU 23 Cb -0.01 -2.54 0.02 0.00 0.50 0.00 0.00 46.19 44.16 2aoe s LEU 23 CO -0.04 0.05 0.99 -0.76 -1.32 0.00 0.00 176.35 175.27 2aoe s LEU 24 N 0.54 3.92 -0.34 -0.68 1.43 -0.30 -0.50 118.68 122.74 2aoe s LEU 24 Ca 0.21 0.61 0.02 0.00 -1.03 0.00 0.00 54.13 53.95 2aoe s LEU 24 Cb -0.14 -3.36 0.10 0.00 0.03 0.00 0.00 46.19 42.82 2aoe s LEU 24 CO 0.07 -0.95 0.08 -0.62 0.23 0.00 0.00 176.35 175.17 2aoe s ASP 25 N 1.97 4.42 0.24 2.29 -1.08 -0.06 -4.78 116.67 119.67 2aoe s ASP 25 Ca 0.41 -2.00 0.23 0.00 -0.52 0.00 0.00 52.55 50.67 2aoe s ASP 25 Cb -0.11 -1.31 0.96 0.00 -1.46 0.00 0.00 42.92 41.00 2aoe s ASP 25 CO 0.21 -0.38 1.70 0.35 0.52 0.00 0.00 175.17 177.56 2aoe n THR 26 N 4.42 0.83 1.43 1.71 -2.24 -1.26 -2.04 114.28 117.12 2aoe n THR 26 Ca 0.02 0.22 0.11 0.00 -2.27 0.00 0.00 64.05 62.12 2aoe n THR 26 Cb 0.41 -1.14 0.44 0.00 -2.10 0.00 0.00 70.33 67.94 2aoe n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2aoe n GLY 27 N 0.03 -0.04 3.43 3.38 0.00 -1.26 -4.82 105.19 105.92 2aoe n GLY 27 Ca 0.02 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 2aoe n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aoe s ALA 28 N -1.86 2.97 0.29 4.61 0.00 -0.87 -4.99 121.76 121.92 2aoe s ALA 28 Ca 0.32 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.31 2aoe s ALA 28 Cb 0.17 -1.70 0.44 0.00 0.00 0.00 0.00 23.12 22.03 2aoe s ALA 28 CO 0.26 -0.11 1.78 -0.44 0.00 0.00 0.00 175.76 177.25 2aoe h ASP 29 N 7.42 0.60 -2.35 0.00 3.32 -1.87 0.27 116.42 123.81 2aoe h ASP 29 Ca -0.35 -0.15 -0.61 0.00 0.02 0.00 0.00 57.03 55.94 2aoe h ASP 29 Cb 1.18 -0.16 -0.15 0.00 0.22 0.00 0.00 39.33 40.42 2aoe h ASP 29 CO 0.61 0.72 -0.77 -1.81 -1.72 0.00 0.00 179.24 176.27 2aoe s ASP 30 N -6.72 3.54 -0.17 6.45 1.01 -1.26 -2.67 116.67 116.85 2aoe s ASP 30 Ca -0.08 -1.01 -0.13 0.00 0.71 0.00 0.00 52.55 52.04 2aoe s ASP 30 Cb 0.15 -0.29 -0.05 0.00 1.01 0.00 0.00 42.92 43.74 2aoe s ASP 30 CO 0.79 0.04 0.24 -0.89 0.21 0.00 0.00 175.17 175.57 2aoe s THR 31 N -2.43 5.34 -0.07 -1.27 2.01 -1.26 -3.34 115.64 114.62 2aoe s THR 31 Ca 0.29 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.73 2aoe s THR 31 Cb -0.05 -3.58 0.02 0.00 0.01 0.00 0.00 72.50 68.90 2aoe s THR 31 CO 0.14 0.41 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.75 2aoe s VAL 32 N 0.39 0.60 0.07 3.82 1.01 -0.26 -1.11 120.40 124.91 2aoe s VAL 32 Ca 0.14 -0.09 0.10 0.00 0.00 0.00 0.00 61.98 62.13 2aoe s VAL 32 Cb -0.12 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 2aoe s VAL 32 CO 0.02 0.27 -0.26 -0.63 0.00 0.00 0.00 175.10 174.50 2aoe s ILE 33 N 1.38 2.13 1.04 2.22 -1.09 0.69 -0.53 121.20 127.06 2aoe s ILE 33 Ca -0.03 -1.47 -0.13 0.00 -2.23 0.00 0.00 60.65 56.78 2aoe s ILE 33 Cb -0.13 -1.84 0.16 0.00 -1.58 0.00 0.00 42.46 39.06 2aoe s ILE 33 CO -0.03 0.28 0.76 -1.84 -1.23 0.00 0.00 174.94 172.88 2aoe n GLU 34 N 1.55 -1.25 -1.67 2.79 0.28 -1.26 -1.66 120.64 119.42 2aoe n GLU 34 Ca -0.17 -0.32 -0.45 0.00 -0.16 0.00 0.00 57.16 56.05 2aoe n GLU 34 Cb 0.52 -2.09 -0.04 0.00 1.43 0.00 0.00 31.44 31.27 2aoe n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2aoe n GLU 35 N -3.59 2.15 -3.64 3.44 -0.58 -1.21 -4.51 120.64 112.71 2aoe n GLU 35 Ca 0.06 0.77 -0.07 0.00 -0.42 0.00 0.00 57.16 57.51 2aoe n GLU 35 Cb 0.55 -2.51 -0.02 0.00 -0.57 0.00 0.00 31.44 28.89 2aoe n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2aoe s MET 36 N 0.48 1.18 -0.06 3.49 0.23 -1.26 -5.03 119.30 118.34 2aoe s MET 36 Ca 0.75 -0.57 -0.11 0.00 -1.03 0.00 0.00 55.69 54.73 2aoe s MET 36 Cb -0.66 0.46 -0.05 0.00 -1.53 0.00 0.00 34.83 33.05 2aoe s MET 36 CO 0.41 -0.53 0.28 -1.12 -2.03 0.00 0.00 175.02 172.04 2aoe s SER 37 N -2.77 6.61 0.11 -1.18 0.01 -1.26 -5.01 113.70 110.20 2aoe s SER 37 Ca 0.08 0.72 0.05 0.00 1.31 0.00 0.00 55.95 58.11 2aoe s SER 37 Cb -0.02 -2.17 -0.04 0.00 0.21 0.00 0.00 66.02 64.01 2aoe s SER 37 CO -0.03 0.35 -0.13 -0.76 0.41 0.00 0.00 173.24 173.08 2aoe s LEU 38 N -0.97 2.38 0.60 2.44 1.43 -1.26 -4.92 118.68 118.38 2aoe s LEU 38 Ca 0.19 -0.78 -0.14 0.00 -1.03 0.00 0.00 54.13 52.38 2aoe s LEU 38 Cb -0.14 -0.46 -0.04 0.00 0.03 0.00 0.00 46.19 45.57 2aoe s LEU 38 CO 0.09 -0.17 1.03 -2.16 0.23 0.00 0.00 176.35 175.37 2aoe s PRO 39 N -2.54 3.49 0.76 1.29 0.04 -1.26 -4.94 135.00 131.84 2aoe s PRO 39 Ca 0.06 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.05 2aoe s PRO 39 Cb -0.05 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2aoe s PRO 39 CO 0.02 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 176.81 2aoe n GLY 40 N -1.87 -1.94 3.87 0.56 0.00 -1.26 -4.96 105.19 99.58 2aoe n GLY 40 Ca 0.07 -1.61 -0.31 0.00 0.00 0.00 0.00 46.02 44.17 2aoe n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aoe s ARG 41 N 0.00 3.78 0.17 1.61 0.52 -1.26 -5.08 118.95 118.69 2aoe s ARG 41 Ca 0.00 0.68 -0.04 0.00 -0.52 0.00 0.00 55.73 55.85 2aoe s ARG 41 Cb 0.00 -2.23 -0.03 0.00 0.52 0.00 0.00 34.95 33.21 2aoe s ARG 41 CO 0.00 -0.25 0.17 1.67 0.02 0.00 0.00 175.30 176.91 2aoe s TRP 42 N -2.67 0.78 0.02 -0.53 1.48 -1.26 -4.42 118.94 112.34 2aoe s TRP 42 Ca 0.54 -1.11 0.00 0.00 -1.06 0.00 0.00 56.10 54.47 2aoe s TRP 42 Cb -0.10 -0.34 -0.02 0.00 -1.16 0.00 0.00 33.47 31.85 2aoe s TRP 42 CO 0.37 -0.64 -0.03 -1.59 -4.06 0.00 0.00 176.95 171.00 2aoe s LYS 43 N -4.05 0.30 0.45 3.25 -2.85 -0.78 -4.91 119.74 111.14 2aoe s LYS 43 Ca 0.26 -0.58 -0.22 0.00 -1.00 0.00 0.00 55.97 54.43 2aoe s LYS 43 Cb 0.06 0.10 -0.08 0.00 -2.06 0.00 0.00 37.83 35.85 2aoe s LYS 43 CO 0.05 -0.05 1.07 -1.25 0.10 0.00 0.00 175.35 175.27 2aoe s PRO 44 N -1.39 3.89 0.01 1.78 0.04 -1.26 -0.29 135.00 137.77 2aoe s PRO 44 Ca -0.15 1.50 -0.13 0.00 0.04 0.00 0.00 61.00 62.26 2aoe s PRO 44 Cb -0.10 -2.30 0.02 0.00 0.04 0.00 0.00 34.50 32.16 2aoe s PRO 44 CO -0.01 -0.38 0.26 0.21 0.04 0.00 0.00 177.00 177.13 2aoe s LYS 45 N -2.89 0.67 -0.12 4.56 2.20 -0.44 -4.87 119.74 118.84 2aoe s LYS 45 Ca 0.64 -0.34 -0.02 0.00 -0.36 0.00 0.00 55.97 55.89 2aoe s LYS 45 Cb -0.21 0.29 -0.03 0.00 -1.51 0.00 0.00 37.83 36.37 2aoe s LYS 45 CO 0.25 -0.19 -0.07 -1.64 -0.36 0.00 0.00 175.35 173.35 2aoe s MET 46 N -1.72 3.35 0.05 4.03 -1.94 -1.26 -0.64 119.30 121.17 2aoe s MET 46 Ca -0.11 -0.56 0.06 0.00 -1.71 0.00 0.00 55.69 53.37 2aoe s MET 46 Cb -0.04 -2.76 -0.03 0.00 2.01 0.00 0.00 34.83 34.01 2aoe s MET 46 CO 0.01 0.36 -0.17 0.96 -0.01 0.00 0.00 175.02 176.17 2aoe s ILE 47 N 0.02 1.37 0.25 2.53 -4.36 -0.50 -4.97 121.20 115.54 2aoe s ILE 47 Ca -0.01 -1.17 0.07 0.00 -0.26 0.00 0.00 60.65 59.28 2aoe s ILE 47 Cb -0.14 -1.23 -0.05 0.00 1.25 0.00 0.00 42.46 42.29 2aoe s ILE 47 CO 0.03 0.03 -0.09 -0.83 0.24 0.00 0.00 174.94 174.33 2aoe s GLY 48 N -1.32 1.65 0.00 6.27 0.00 -1.26 -0.89 107.32 111.76 2aoe s GLY 48 Ca 0.04 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 42.96 2aoe s GLY 48 CO 0.02 -1.79 0.00 0.61 0.00 0.00 0.00 173.10 171.94 2aoe n GLY 49 N -0.49 1.48 3.75 0.20 0.00 -0.43 -4.98 105.19 104.72 2aoe n GLY 49 Ca -0.06 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 2aoe n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aoe s ILE 50 N -1.95 2.22 0.00 -0.61 1.01 -1.26 -1.77 121.20 118.85 2aoe s ILE 50 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.84 2aoe s ILE 50 Cb 0.00 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.35 2aoe s ILE 50 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.58 2aoe n GLY 51 N 2.19 1.55 0.00 6.18 0.00 -1.26 -4.92 105.19 108.93 2aoe n GLY 51 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2aoe n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aoe n GLY 52 N -2.00 0.13 3.64 -0.02 0.00 -0.73 -5.06 105.19 101.16 2aoe n GLY 52 Ca 0.00 -2.08 -0.29 0.00 0.00 0.00 0.00 46.02 43.65 2aoe n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2aoe s PHE 53 N 0.00 2.85 0.12 1.61 0.40 -1.26 -1.31 117.98 120.39 2aoe s PHE 53 Ca 0.00 -0.11 0.06 0.00 -0.60 0.00 0.00 56.93 56.29 2aoe s PHE 53 Cb 0.00 -1.44 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 2aoe s PHE 53 CO 0.00 0.48 -0.15 0.96 0.70 0.00 0.00 175.22 177.20 2aoe s ILE 54 N -1.44 1.43 -0.03 0.64 -4.36 -0.07 -4.97 121.20 112.40 2aoe s ILE 54 Ca 0.25 -1.69 -0.20 0.00 -0.26 0.00 0.00 60.65 58.75 2aoe s ILE 54 Cb -0.11 -1.54 -0.05 0.00 1.25 0.00 0.00 42.46 42.01 2aoe s ILE 54 CO 0.17 -0.35 0.58 -0.75 0.24 0.00 0.00 174.94 174.83 2aoe s LYS 55 N -2.52 4.31 0.19 0.37 2.20 -1.26 -1.40 119.74 121.63 2aoe s LYS 55 Ca 0.09 0.68 0.02 0.00 -0.36 0.00 0.00 55.97 56.40 2aoe s LYS 55 Cb -0.06 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.85 2aoe s LYS 55 CO 0.04 0.31 0.01 0.14 -0.36 0.00 0.00 175.35 175.49 2aoe s VAL 56 N 0.01 0.75 -0.21 4.02 -7.23 0.18 -4.42 120.40 113.50 2aoe s VAL 56 Ca 0.30 -1.99 -0.09 0.00 -1.81 0.00 0.00 61.98 58.39 2aoe s VAL 56 Cb -0.18 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 2aoe s VAL 56 CO 0.16 -0.41 0.11 -0.13 -0.31 0.00 0.00 175.10 174.52 2aoe s ARG 57 N -3.91 4.02 -0.31 4.82 0.52 0.14 -1.33 118.95 122.90 2aoe s ARG 57 Ca 0.26 -0.31 -0.13 0.00 -0.52 0.00 0.00 55.73 55.04 2aoe s ARG 57 Cb 0.06 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 32.12 2aoe s ARG 57 CO 0.06 0.16 0.25 -1.14 0.02 0.00 0.00 175.30 174.65 2aoe s GLN 58 N 0.72 3.76 -0.14 3.54 0.74 0.60 -0.61 119.66 128.26 2aoe s GLN 58 Ca 0.06 -0.40 -0.02 0.00 0.05 0.00 0.00 55.36 55.05 2aoe s GLN 58 Cb -0.13 -3.73 -0.02 0.00 1.10 0.00 0.00 33.01 30.23 2aoe s GLN 58 CO 0.02 -0.32 -0.08 0.71 -0.55 0.00 0.00 175.29 175.06 2aoe s TYR 59 N 1.81 2.92 0.28 1.67 1.51 -0.42 -1.87 117.35 123.25 2aoe s TYR 59 Ca 0.08 -0.45 0.05 0.00 -1.01 0.00 0.00 57.07 55.74 2aoe s TYR 59 Cb -0.17 -1.89 -0.02 0.00 -0.11 0.00 0.00 41.96 39.77 2aoe s TYR 59 CO 0.11 -0.11 0.41 -0.51 -1.11 0.00 0.00 175.55 174.34 2aoe s ASP 60 N 0.31 6.20 -1.32 2.29 1.01 -1.26 -1.03 116.67 122.86 2aoe s ASP 60 Ca -0.07 0.02 -0.00 0.00 0.71 0.00 0.00 52.55 53.21 2aoe s ASP 60 Cb -0.15 -1.67 -0.00 0.00 1.01 0.00 0.00 42.92 42.11 2aoe s ASP 60 CO 0.04 -0.21 0.64 0.00 0.21 0.00 0.00 175.17 175.85 2aoe n GLN 61 N -1.52 -4.44 -3.68 8.23 6.02 -1.16 -4.91 117.38 115.92 2aoe n GLN 61 Ca -0.06 0.57 -0.36 0.00 -0.01 0.00 0.00 57.00 57.14 2aoe n GLN 61 Cb 0.57 -5.01 -0.07 0.00 1.02 0.00 0.00 30.24 26.75 2aoe n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2aoe s ILE 62 N -3.73 5.36 -0.04 5.09 -1.09 0.09 -4.83 121.20 122.05 2aoe s ILE 62 Ca 0.01 0.39 -0.14 0.00 -2.23 0.00 0.00 60.65 58.68 2aoe s ILE 62 Cb -0.00 -3.53 -0.05 0.00 -1.58 0.00 0.00 42.46 37.29 2aoe s ILE 62 CO 0.83 0.48 0.38 -0.63 -1.23 0.00 0.00 174.94 174.77 2aoe s ILE 63 N -0.11 5.11 0.00 2.92 1.01 -1.26 -1.44 121.20 127.43 2aoe s ILE 63 Ca 0.14 0.76 0.03 0.00 0.00 0.00 0.00 60.65 61.59 2aoe s ILE 63 Cb -0.13 -3.68 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 2aoe s ILE 63 CO 0.03 0.54 -0.10 -0.63 0.00 0.00 0.00 174.94 174.78 2aoe s ILE 64 N -0.77 0.80 -0.24 2.92 1.01 -0.24 -4.52 121.20 120.15 2aoe s ILE 64 Ca 0.22 -0.52 -0.12 0.00 0.00 0.00 0.00 60.65 60.23 2aoe s ILE 64 Cb -0.16 -0.68 -0.05 0.00 0.01 0.00 0.00 42.46 41.58 2aoe s ILE 64 CO 0.11 0.16 0.25 -1.61 0.00 0.00 0.00 174.94 173.85 2aoe s GLU 65 N -0.42 4.07 -0.28 2.79 2.02 0.08 -0.84 118.70 126.13 2aoe s GLU 65 Ca 0.03 -0.13 0.01 0.00 0.02 0.00 0.00 54.97 54.89 2aoe s GLU 65 Cb -0.05 -3.58 0.05 0.00 0.10 0.00 0.00 34.13 30.66 2aoe s GLU 65 CO -0.00 -0.05 -0.06 0.42 0.02 0.00 0.00 175.26 175.59 2aoe s ILE 66 N 1.38 2.56 -1.62 -1.63 1.01 0.82 -0.63 121.20 123.08 2aoe s ILE 66 Ca 0.11 -1.50 -0.15 0.00 0.00 0.00 0.00 60.65 59.11 2aoe s ILE 66 Cb -0.15 -2.48 0.12 0.00 0.01 0.00 0.00 42.46 39.96 2aoe s ILE 66 CO 0.07 -0.05 0.76 0.00 0.00 0.00 0.00 174.94 175.72 2aoe n ALA 67 N 4.53 -1.39 -0.65 9.38 0.00 -0.23 -0.61 120.51 131.53 2aoe n ALA 67 Ca -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2aoe n ALA 67 Cb 0.43 -3.34 0.00 0.00 0.00 0.00 0.00 19.45 16.54 2aoe n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aoe n GLY 68 N -1.55 0.79 3.37 0.00 0.00 -1.26 -5.03 105.19 101.51 2aoe n GLY 68 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2aoe n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aoe s HIS 69 N -3.01 3.00 0.33 1.61 4.02 0.22 -5.08 115.29 116.37 2aoe s HIS 69 Ca 0.00 -0.71 -0.26 0.00 1.02 0.00 0.00 55.06 55.10 2aoe s HIS 69 Cb 0.00 -2.12 -0.09 0.00 -1.02 0.00 0.00 32.58 29.34 2aoe s HIS 69 CO 0.00 -0.43 1.00 0.15 1.02 0.00 0.00 174.74 176.48 2aoe s LYS 70 N 1.37 4.48 0.05 1.40 1.02 -1.26 -0.13 119.74 126.67 2aoe s LYS 70 Ca 0.04 1.48 -0.09 0.00 0.02 0.00 0.00 55.97 57.42 2aoe s LYS 70 Cb -0.14 -2.82 0.00 0.00 -0.52 0.00 0.00 37.83 34.35 2aoe s LYS 70 CO -0.00 0.15 0.19 0.00 -0.92 0.00 0.00 175.35 174.77 2aoe s ALA 71 N -1.52 -0.32 0.02 5.17 0.00 -0.02 -4.84 121.76 120.26 2aoe s ALA 71 Ca 0.51 -0.36 0.06 0.00 0.00 0.00 0.00 51.96 52.16 2aoe s ALA 71 Cb -0.23 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 2aoe s ALA 71 CO 0.29 -0.39 -0.17 -1.50 0.00 0.00 0.00 175.76 173.99 2aoe s ILE 72 N -2.84 1.34 -1.76 0.00 2.07 -1.26 -1.08 121.20 117.67 2aoe s ILE 72 Ca -0.03 -0.95 0.00 0.00 -1.41 0.00 0.00 60.65 58.26 2aoe s ILE 72 Cb 0.00 -1.16 0.00 0.00 0.13 0.00 0.00 42.46 41.43 2aoe s ILE 72 CO -0.05 0.19 0.00 0.61 -1.91 0.00 0.00 174.94 173.78 2aoe n GLY 73 N 2.16 -0.83 3.73 1.50 0.00 -0.52 -4.93 105.19 106.30 2aoe n GLY 73 Ca -0.16 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 2aoe n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aoe s THR 74 N -3.00 4.58 -0.06 2.61 2.01 -1.26 -0.73 115.64 119.79 2aoe s THR 74 Ca 0.00 1.99 0.04 0.00 0.31 0.00 0.00 61.69 64.03 2aoe s THR 74 Cb 0.00 -4.28 -0.00 0.00 0.01 0.00 0.00 72.50 68.22 2aoe s THR 74 CO 0.00 0.31 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.36 2aoe s VAL 75 N 0.08 1.64 -0.09 3.82 1.01 -0.20 -4.46 120.40 122.20 2aoe s VAL 75 Ca 0.46 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.53 2aoe s VAL 75 Cb -0.23 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 2aoe s VAL 75 CO 0.28 0.47 0.22 -0.76 0.00 0.00 0.00 175.10 175.31 2aoe s LEU 76 N 0.11 4.41 -0.08 3.92 1.43 -0.27 -1.30 118.68 126.90 2aoe s LEU 76 Ca -0.07 0.60 0.03 0.00 -1.03 0.00 0.00 54.13 53.66 2aoe s LEU 76 Cb -0.13 -2.22 0.01 0.00 0.03 0.00 0.00 46.19 43.87 2aoe s LEU 76 CO 0.04 0.38 -0.15 -0.69 0.23 0.00 0.00 176.35 176.15 2aoe s VAL 77 N -0.99 1.39 -1.27 -1.59 1.01 0.22 -0.22 120.40 118.96 2aoe s VAL 77 Ca 0.17 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.53 2aoe s VAL 77 Cb -0.13 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 35.00 2aoe s VAL 77 CO 0.07 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.19 2aoe n GLY 78 N 3.75 -1.16 2.25 4.51 0.00 -0.66 -0.69 105.19 113.19 2aoe n GLY 78 Ca -0.22 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 2aoe n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2aoe n PRO 79 N 0.00 3.02 -2.75 1.61 -0.04 -1.26 -3.30 135.00 132.28 2aoe n PRO 79 Ca 0.00 -1.76 -0.39 0.00 -0.04 0.00 0.00 63.50 61.32 2aoe n PRO 79 Cb 0.00 -2.52 -0.06 0.00 -0.04 0.00 0.00 33.50 30.88 2aoe n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2aoe s THR 80 N 1.94 4.10 -0.97 0.52 -1.32 -1.26 -4.94 115.64 113.71 2aoe s THR 80 Ca 0.66 1.94 0.19 0.00 -1.21 0.00 0.00 61.69 63.27 2aoe s THR 80 Cb 0.21 -4.17 0.16 0.00 -1.51 0.00 0.00 72.50 67.20 2aoe s THR 80 CO -0.04 0.33 1.62 -0.81 -2.21 0.00 0.00 174.62 173.51 2aoe n PRO 81 N 1.05 0.01 -3.69 7.08 -0.04 -1.26 -4.74 135.00 133.41 2aoe n PRO 81 Ca -0.00 0.19 -0.14 0.00 -0.04 0.00 0.00 63.50 63.50 2aoe n PRO 81 Cb 0.48 -1.52 -0.08 0.00 -0.04 0.00 0.00 33.50 32.33 2aoe n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2aoe s ALA 82 N -3.02 -1.17 -0.00 0.55 0.00 -1.26 -5.12 121.76 111.74 2aoe s ALA 82 Ca 0.09 1.03 -0.30 0.00 0.00 0.00 0.00 51.96 52.78 2aoe s ALA 82 Cb 0.12 -0.38 -0.05 0.00 0.00 0.00 0.00 23.12 22.81 2aoe s ALA 82 CO 0.35 -0.26 1.32 -0.80 0.00 0.00 0.00 175.76 176.37 2aoe s ASN 83 N -0.50 6.93 -0.10 0.00 0.01 -1.26 -4.75 114.94 115.27 2aoe s ASN 83 Ca -0.06 2.03 0.03 0.00 -0.71 0.00 0.00 52.86 54.15 2aoe s ASN 83 Cb -0.03 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.07 2aoe s ASN 83 CO 0.03 -0.65 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.16 2aoe s ILE 84 N 2.14 1.63 -0.38 0.60 -1.09 0.31 -0.81 121.20 123.61 2aoe s ILE 84 Ca 0.61 -0.75 -0.16 0.00 -2.23 0.00 0.00 60.65 58.12 2aoe s ILE 84 Cb -0.30 -1.45 0.01 0.00 -1.58 0.00 0.00 42.46 39.14 2aoe s ILE 84 CO 0.26 0.47 0.38 -0.63 -1.23 0.00 0.00 174.94 174.18 2aoe s ILE 85 N 0.65 5.15 0.33 2.92 -1.09 0.34 -1.10 121.20 128.40 2aoe s ILE 85 Ca -0.13 -0.23 0.04 0.00 -2.23 0.00 0.00 60.65 58.10 2aoe s ILE 85 Cb -0.16 -3.92 0.06 0.00 -1.58 0.00 0.00 42.46 36.86 2aoe s ILE 85 CO 0.04 -0.25 0.45 0.61 -1.23 0.00 0.00 174.94 174.56 2aoe n GLY 86 N 5.06 1.59 0.22 6.18 0.00 -1.21 -0.88 105.19 116.14 2aoe n GLY 86 Ca -0.09 -2.13 0.05 0.00 0.00 0.00 0.00 46.02 43.86 2aoe n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2aoe h ARG 87 N 0.00 0.00 -0.02 1.61 3.08 -0.96 -0.88 114.38 117.21 2aoe h ARG 87 Ca -0.15 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.90 2aoe h ARG 87 Cb 0.66 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 2aoe h ARG 87 CO 0.20 0.19 0.02 -2.95 -1.07 0.00 0.00 179.97 176.35 2aoe h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.76 -1.69 115.58 118.10 2aoe h ASN 88 Ca -0.00 0.00 -0.23 0.00 0.07 0.00 0.00 56.30 56.14 2aoe h ASN 88 Cb 0.33 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.54 2aoe h ASN 88 CO 0.02 0.00 -2.08 0.18 0.07 0.00 0.00 177.43 175.62 2aoe n LEU 89 N -4.37 0.00 -0.13 6.14 4.77 -0.82 -4.44 117.00 118.15 2aoe n LEU 89 Ca -0.02 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.99 2aoe n LEU 89 Cb 0.11 0.31 0.35 0.00 -2.33 0.00 0.00 43.42 41.86 2aoe n LEU 89 CO 0.33 0.31 1.21 -0.07 -1.33 0.00 0.00 177.39 177.83 2aoe h LEU 90 N 0.00 0.66 -1.17 2.23 3.38 -0.90 -2.02 115.31 117.49 2aoe h LEU 90 Ca -0.34 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 2aoe h LEU 90 Cb 1.73 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 42.30 2aoe h LEU 90 CO 0.02 0.46 0.24 0.71 0.09 0.00 0.00 178.44 179.95 2aoe h THR 91 N 0.77 1.20 0.00 0.22 1.35 -1.53 -1.84 112.91 113.08 2aoe h THR 91 Ca 0.25 -0.62 -0.03 0.00 -0.55 0.00 0.00 66.41 65.46 2aoe h THR 91 Cb 0.04 0.51 -0.00 0.00 -1.73 0.00 0.00 68.15 66.97 2aoe h THR 91 CO -0.06 0.25 -0.14 1.56 -0.25 0.00 0.00 175.52 176.88 2aoe h GLN 92 N 0.81 0.00 -0.68 4.72 1.08 -1.58 -1.92 115.11 117.54 2aoe h GLN 92 Ca 0.20 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 2aoe h GLN 92 Cb 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 2aoe h GLN 92 CO -0.02 0.14 0.00 0.44 -0.95 0.00 0.00 178.83 178.44 2aoe n ILE 93 N -3.24 0.91 -2.49 2.54 -5.35 -1.08 -4.95 119.36 105.70 2aoe n ILE 93 Ca 0.01 -0.94 -0.11 0.00 -0.27 0.00 0.00 62.75 61.44 2aoe n ILE 93 Cb 0.42 0.55 0.01 0.00 -1.74 0.00 0.00 39.64 38.88 2aoe n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2aoe n GLY 94 N 1.64 0.05 3.74 3.28 0.00 -0.72 -4.99 105.19 108.18 2aoe n GLY 94 Ca 0.24 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 2aoe n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aoe s ALA 95 N -2.74 3.36 0.08 4.61 0.00 -0.71 -5.04 121.76 121.31 2aoe s ALA 95 Ca 0.10 0.78 0.04 0.00 0.00 0.00 0.00 51.96 52.89 2aoe s ALA 95 Cb -0.04 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 2aoe s ALA 95 CO 0.12 -0.16 -0.12 0.95 0.00 0.00 0.00 175.76 176.55 2aoe s THR 96 N -0.31 1.00 -0.10 0.00 -4.23 -1.26 -4.75 115.64 105.99 2aoe s THR 96 Ca 0.48 -1.42 -0.13 0.00 -1.18 0.00 0.00 61.69 59.44 2aoe s THR 96 Cb -0.29 -1.14 -0.05 0.00 1.34 0.00 0.00 72.50 72.37 2aoe s THR 96 CO 0.34 -0.37 0.31 -0.76 -0.54 0.00 0.00 174.62 173.60 2aoe s LEU 97 N -2.01 4.35 -0.03 4.79 1.43 -1.26 -5.08 118.68 120.87 2aoe s LEU 97 Ca 0.00 0.66 0.01 0.00 -1.03 0.00 0.00 54.13 53.77 2aoe s LEU 97 Cb -0.07 -2.40 0.02 0.00 0.03 0.00 0.00 46.19 43.77 2aoe s LEU 97 CO 0.01 0.23 -0.03 0.20 0.23 0.00 0.00 176.35 176.99 2aoe s ASN 98 N -0.30 0.68 0.00 2.29 0.01 -1.26 -5.29 114.94 111.06 2aoe s ASN 98 Ca 0.19 -0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.26 2aoe s ASN 98 Cb -0.14 -0.31 0.00 0.00 0.41 0.00 0.00 41.25 41.21 2aoe s ASN 98 CO 0.07 -0.06 0.00 2.22 -1.51 0.00 0.00 177.10 177.83