#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o4p s GLN 2 N 0.00 2.93 -0.28 0.54 0.74 -1.26 -5.11 119.66 117.23 2o4p s GLN 2 Ca 0.00 -0.88 -0.07 0.00 0.05 0.00 0.00 55.36 54.45 2o4p s GLN 2 Cb 0.00 -2.73 -0.01 0.00 1.10 0.00 0.00 33.01 31.37 2o4p s GLN 2 CO 0.00 -0.28 0.08 0.42 -0.55 0.00 0.00 175.29 174.97 2o4p s ILE 3 N 1.30 4.16 0.75 -2.34 1.01 -1.26 -5.10 121.20 119.73 2o4p s ILE 3 Ca 0.03 -0.47 -0.10 0.00 0.00 0.00 0.00 60.65 60.11 2o4p s ILE 3 Cb -0.15 -3.06 0.06 0.00 0.01 0.00 0.00 42.46 39.33 2o4p s ILE 3 CO -0.09 0.18 1.10 0.42 0.00 0.00 0.00 174.94 176.55 2o4p s THR 4 N 1.56 2.29 -0.16 2.92 -4.23 -1.26 -5.03 115.64 111.74 2o4p s THR 4 Ca 0.04 -0.05 0.18 0.00 -1.18 0.00 0.00 61.69 60.68 2o4p s THR 4 Cb -0.16 -3.06 0.41 0.00 1.34 0.00 0.00 72.50 71.02 2o4p s THR 4 CO 0.03 -0.07 1.28 0.18 -0.54 0.00 0.00 174.62 175.50 2o4p n LEU 5 N -3.12 3.10 0.17 4.79 4.77 -1.26 -4.58 117.00 120.88 2o4p n LEU 5 Ca 0.08 -3.08 0.02 0.00 -0.03 0.00 0.00 56.01 53.00 2o4p n LEU 5 Cb 0.60 -0.49 0.36 0.00 -2.33 0.00 0.00 43.42 41.57 2o4p n LEU 5 CO 0.55 0.71 0.75 -0.50 -1.33 0.00 0.00 177.39 177.57 2o4p h TRP 6 N 0.87 0.05 -2.07 -1.77 4.06 -2.06 -3.43 115.95 111.61 2o4p h TRP 6 Ca 0.00 -0.01 -0.59 0.00 2.06 0.00 0.00 58.89 60.35 2o4p h TRP 6 Cb 1.22 -0.01 -0.12 0.00 -1.00 0.00 0.00 29.16 29.25 2o4p h TRP 6 CO 0.26 0.38 -0.68 0.15 -3.56 0.00 0.00 178.44 174.99 2o4p s LYS 7 N -4.29 1.95 0.21 0.49 1.02 -1.26 -5.10 119.74 112.76 2o4p s LYS 7 Ca -0.03 -1.73 -0.32 0.00 0.02 0.00 0.00 55.97 53.91 2o4p s LYS 7 Cb 0.15 -1.88 -0.14 0.00 -0.52 0.00 0.00 37.83 35.43 2o4p s LYS 7 CO 0.73 0.24 1.41 0.54 -0.92 0.00 0.00 175.35 177.35 2o4p n ARG 8 N -0.81 1.92 -1.63 1.68 1.74 -1.26 -4.84 116.66 113.46 2o4p n ARG 8 Ca -0.05 0.69 -0.42 0.00 -0.77 0.00 0.00 57.85 57.30 2o4p n ARG 8 Cb 0.61 -2.35 -0.02 0.00 -1.02 0.00 0.00 32.46 29.69 2o4p n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2o4p n PRO 9 N 2.32 2.49 -3.31 5.56 -0.04 -1.26 -4.93 135.00 135.84 2o4p n PRO 9 Ca 0.13 -2.43 -0.39 0.00 -0.04 0.00 0.00 63.50 60.77 2o4p n PRO 9 Cb 0.30 -3.21 -0.07 0.00 -0.04 0.00 0.00 33.50 30.47 2o4p n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2o4p s LEU 10 N 2.21 4.14 0.39 1.53 1.43 -1.26 -1.27 118.68 125.84 2o4p s LEU 10 Ca 0.51 0.58 0.08 0.00 -1.03 0.00 0.00 54.13 54.27 2o4p s LEU 10 Cb 0.13 -2.62 -0.07 0.00 0.03 0.00 0.00 46.19 43.67 2o4p s LEU 10 CO -0.02 -0.15 -0.01 0.68 0.23 0.00 0.00 176.35 177.08 2o4p s VAL 11 N 1.58 2.13 0.05 -1.59 -7.23 0.01 -4.92 120.40 110.43 2o4p s VAL 11 Ca 0.21 -2.03 -0.25 0.00 -1.81 0.00 0.00 61.98 58.11 2o4p s VAL 11 Cb -0.15 -2.89 -0.06 0.00 0.56 0.00 0.00 36.38 33.84 2o4p s VAL 11 CO 0.09 -0.07 0.75 -0.89 -0.31 0.00 0.00 175.10 174.68 2o4p s THR 12 N -2.66 4.72 0.37 5.32 2.01 -1.26 -0.93 115.64 123.21 2o4p s THR 12 Ca 0.35 1.60 0.08 0.00 0.31 0.00 0.00 61.69 64.03 2o4p s THR 12 Cb 0.07 -4.10 -0.06 0.00 0.01 0.00 0.00 72.50 68.42 2o4p s THR 12 CO 0.18 0.38 0.03 0.27 -0.69 0.00 0.00 174.62 174.79 2o4p s ILE 13 N -0.13 2.36 -0.07 1.82 -4.36 0.12 -1.30 121.20 119.63 2o4p s ILE 13 Ca 0.38 -1.95 0.00 0.00 -0.26 0.00 0.00 60.65 58.82 2o4p s ILE 13 Cb -0.20 -2.87 0.02 0.00 1.25 0.00 0.00 42.46 40.66 2o4p s ILE 13 CO 0.23 -0.11 -0.06 -0.75 0.24 0.00 0.00 174.94 174.49 2o4p s LYS 14 N -3.74 1.14 -0.06 0.37 2.20 0.49 -1.58 119.74 118.56 2o4p s LYS 14 Ca 0.36 -0.16 -0.03 0.00 -0.36 0.00 0.00 55.97 55.78 2o4p s LYS 14 Cb 0.04 -1.18 0.04 0.00 -1.51 0.00 0.00 37.83 35.21 2o4p s LYS 14 CO 0.19 -0.16 0.14 -1.50 -0.36 0.00 0.00 175.35 173.66 2o4p s ILE 15 N 1.30 -0.07 -1.46 5.43 2.07 -0.16 -1.28 121.20 127.03 2o4p s ILE 15 Ca -0.04 0.20 -0.08 0.00 -1.41 0.00 0.00 60.65 59.32 2o4p s ILE 15 Cb -0.14 -0.23 0.03 0.00 0.13 0.00 0.00 42.46 42.25 2o4p s ILE 15 CO -0.03 0.08 0.83 0.61 -1.91 0.00 0.00 174.94 174.53 2o4p n GLY 16 N 4.32 -0.52 2.76 1.50 0.00 -1.26 -1.29 105.19 110.70 2o4p n GLY 16 Ca -0.25 0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2o4p n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o4p n GLY 17 N -1.65 0.28 3.51 -0.02 0.00 -1.26 -5.00 105.19 101.04 2o4p n GLY 17 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 2o4p n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2o4p s GLN 18 N -0.97 3.32 0.11 1.61 -0.21 -0.41 -5.10 119.66 118.00 2o4p s GLN 18 Ca 0.00 -0.55 -0.28 0.00 0.02 0.00 0.00 55.36 54.55 2o4p s GLN 18 Cb 0.00 -2.76 -0.06 0.00 1.00 0.00 0.00 33.01 31.19 2o4p s GLN 18 CO 0.00 0.38 0.88 -0.51 -2.12 0.00 0.00 175.29 173.92 2o4p s LEU 19 N -0.04 4.51 0.07 2.90 1.02 -1.26 -0.99 118.68 124.89 2o4p s LEU 19 Ca 0.00 1.69 -0.04 0.00 0.02 0.00 0.00 54.13 55.80 2o4p s LEU 19 Cb -0.13 -3.45 -0.03 0.00 0.02 0.00 0.00 46.19 42.60 2o4p s LEU 19 CO 0.03 0.02 0.06 -0.54 0.02 0.00 0.00 176.35 175.94 2o4p s LYS 20 N -0.28 0.73 -0.02 1.70 1.02 -0.62 -4.99 119.74 117.29 2o4p s LYS 20 Ca 0.42 -1.14 -0.07 0.00 0.02 0.00 0.00 55.97 55.20 2o4p s LYS 20 Cb -0.23 0.27 -0.05 0.00 -0.52 0.00 0.00 37.83 37.30 2o4p s LYS 20 CO 0.28 -0.19 0.26 -1.21 -0.92 0.00 0.00 175.35 173.57 2o4p s GLU 21 N -3.91 3.59 -0.00 1.68 2.02 -1.26 0.14 118.70 120.95 2o4p s GLU 21 Ca 0.08 -0.04 -0.08 0.00 0.02 0.00 0.00 54.97 54.95 2o4p s GLU 21 Cb 0.07 -3.11 0.01 0.00 0.10 0.00 0.00 34.13 31.19 2o4p s GLU 21 CO -0.09 0.68 0.16 0.00 0.02 0.00 0.00 175.26 176.03 2o4p s ALA 22 N -1.23 -0.39 -0.22 5.21 0.00 -0.11 -4.45 121.76 120.58 2o4p s ALA 22 Ca 0.25 -0.03 -0.17 0.00 0.00 0.00 0.00 51.96 52.01 2o4p s ALA 22 Cb -0.13 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 2o4p s ALA 22 CO 0.14 -0.20 0.46 -1.17 0.00 0.00 0.00 175.76 174.98 2o4p s LEU 23 N -1.26 4.12 -0.35 0.00 2.96 0.37 -0.81 118.68 123.71 2o4p s LEU 23 Ca -0.13 0.55 -0.29 0.00 -0.22 0.00 0.00 54.13 54.04 2o4p s LEU 23 Cb -0.07 -2.60 0.01 0.00 0.50 0.00 0.00 46.19 44.04 2o4p s LEU 23 CO 0.02 -0.16 1.22 -0.76 -1.32 0.00 0.00 176.35 175.35 2o4p s LEU 24 N 1.66 3.81 -0.33 -0.68 1.43 -0.40 -0.84 118.68 123.34 2o4p s LEU 24 Ca 0.21 0.97 0.01 0.00 -1.03 0.00 0.00 54.13 54.29 2o4p s LEU 24 Cb -0.15 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.63 2o4p s LEU 24 CO 0.09 -1.11 0.09 -0.62 0.23 0.00 0.00 176.35 175.03 2o4p s ASP 25 N 2.58 4.31 0.11 2.29 -1.08 -0.28 -4.80 116.67 119.80 2o4p s ASP 25 Ca 0.52 -1.89 0.22 0.00 -0.52 0.00 0.00 52.55 50.89 2o4p s ASP 25 Cb -0.13 -1.17 0.89 0.00 -1.46 0.00 0.00 42.92 41.04 2o4p s ASP 25 CO 0.24 -0.40 1.69 0.35 0.52 0.00 0.00 175.17 177.57 2o4p n THR 26 N 4.56 0.66 1.68 1.71 -2.24 -1.26 -2.43 114.28 116.95 2o4p n THR 26 Ca 0.01 0.10 0.15 0.00 -2.27 0.00 0.00 64.05 62.03 2o4p n THR 26 Cb 0.42 -0.86 0.69 0.00 -2.10 0.00 0.00 70.33 68.48 2o4p n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2o4p n GLY 27 N 0.56 -0.48 3.67 3.38 0.00 -1.26 -4.83 105.19 106.23 2o4p n GLY 27 Ca 0.04 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 2o4p n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o4p s ALA 28 N -2.05 3.57 0.23 4.61 0.00 -1.02 -4.98 121.76 122.12 2o4p s ALA 28 Ca 0.41 -0.79 -0.03 0.00 0.00 0.00 0.00 51.96 51.55 2o4p s ALA 28 Cb 0.21 -2.15 0.24 0.00 0.00 0.00 0.00 23.12 21.42 2o4p s ALA 28 CO 0.36 0.03 1.66 -0.44 0.00 0.00 0.00 175.76 177.37 2o4p h ASP 29 N 7.01 0.75 -2.00 0.00 3.32 -1.88 -0.19 116.42 123.42 2o4p h ASP 29 Ca -0.39 -0.25 -0.60 0.00 0.02 0.00 0.00 57.03 55.81 2o4p h ASP 29 Cb 1.16 -0.20 -0.13 0.00 0.22 0.00 0.00 39.33 40.37 2o4p h ASP 29 CO 0.70 0.93 -0.63 -1.81 -1.72 0.00 0.00 179.24 176.71 2o4p s ASP 30 N -6.74 3.60 -0.20 6.45 1.01 -1.26 -2.22 116.67 117.32 2o4p s ASP 30 Ca -0.09 -1.30 -0.08 0.00 0.71 0.00 0.00 52.55 51.79 2o4p s ASP 30 Cb 0.13 -0.34 -0.04 0.00 1.01 0.00 0.00 42.92 43.69 2o4p s ASP 30 CO 0.83 -0.37 0.08 -0.89 0.21 0.00 0.00 175.17 175.03 2o4p s THR 31 N -2.75 4.86 -0.12 -1.27 2.01 -1.26 -3.18 115.64 113.93 2o4p s THR 31 Ca 0.34 -0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.33 2o4p s THR 31 Cb 0.07 -3.22 0.03 0.00 0.01 0.00 0.00 72.50 69.39 2o4p s THR 31 CO 0.17 0.43 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.77 2o4p s VAL 32 N 0.62 0.98 0.11 3.82 1.01 -0.08 -0.89 120.40 125.97 2o4p s VAL 32 Ca 0.04 -0.33 0.08 0.00 0.00 0.00 0.00 61.98 61.77 2o4p s VAL 32 Cb -0.13 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 2o4p s VAL 32 CO 0.01 0.30 -0.12 -0.76 0.00 0.00 0.00 175.10 174.54 2o4p s LEU 33 N 1.72 2.96 0.87 3.92 1.43 0.12 -0.30 118.68 129.40 2o4p s LEU 33 Ca 0.04 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 52.58 2o4p s LEU 33 Cb -0.13 -1.75 0.12 0.00 0.03 0.00 0.00 46.19 44.46 2o4p s LEU 33 CO -0.08 0.17 1.17 -1.61 0.23 0.00 0.00 176.35 176.24 2o4p s GLU 34 N -2.25 1.25 -0.14 1.70 2.02 -1.26 -1.99 118.70 118.03 2o4p s GLU 34 Ca 0.21 1.64 -0.41 0.00 0.02 0.00 0.00 54.97 56.43 2o4p s GLU 34 Cb -0.11 -1.74 -0.18 0.00 0.10 0.00 0.00 34.13 32.20 2o4p s GLU 34 CO 0.13 -2.48 1.40 -1.91 0.02 0.00 0.00 175.26 172.41 2o4p n GLU 35 N -3.87 0.54 -3.67 1.61 4.07 -1.26 -4.71 120.64 113.35 2o4p n GLU 35 Ca 0.13 0.20 -0.05 0.00 -0.06 0.00 0.00 57.16 57.37 2o4p n GLU 35 Cb 0.51 -1.77 -0.02 0.00 -0.06 0.00 0.00 31.44 30.11 2o4p n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2o4p s MET 36 N 1.51 1.07 -0.10 5.31 0.23 -1.26 -5.08 119.30 120.99 2o4p s MET 36 Ca 0.94 -0.54 -0.13 0.00 -1.03 0.00 0.00 55.69 54.93 2o4p s MET 36 Cb -1.20 0.40 -0.05 0.00 -1.53 0.00 0.00 34.83 32.45 2o4p s MET 36 CO 0.62 -0.49 0.30 -1.12 -2.03 0.00 0.00 175.02 172.29 2o4p s SER 37 N -2.80 6.55 0.15 -1.18 0.01 -1.26 -5.08 113.70 110.09 2o4p s SER 37 Ca 0.10 0.65 0.07 0.00 1.31 0.00 0.00 55.95 58.08 2o4p s SER 37 Cb -0.01 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 2o4p s SER 37 CO -0.01 0.24 -0.16 -0.76 0.41 0.00 0.00 173.24 172.96 2o4p s LEU 38 N -0.39 2.44 0.55 2.44 1.43 -1.26 -5.04 118.68 118.86 2o4p s LEU 38 Ca 0.19 -0.86 -0.17 0.00 -1.03 0.00 0.00 54.13 52.25 2o4p s LEU 38 Cb -0.14 -0.68 -0.06 0.00 0.03 0.00 0.00 46.19 45.34 2o4p s LEU 38 CO 0.07 -0.10 1.05 -2.16 0.23 0.00 0.00 176.35 175.44 2o4p s PRO 39 N -2.85 3.52 0.38 1.29 0.04 -1.26 -4.94 135.00 131.17 2o4p s PRO 39 Ca 0.13 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.44 2o4p s PRO 39 Cb -0.05 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2o4p s PRO 39 CO 0.05 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 176.84 2o4p n GLY 40 N -0.71 -2.26 3.92 0.56 0.00 -1.26 -4.93 105.19 100.51 2o4p n GLY 40 Ca 0.09 -1.76 -0.26 0.00 0.00 0.00 0.00 46.02 44.09 2o4p n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2o4p s ARG 41 N -0.26 3.52 0.30 1.61 0.52 -1.26 -5.11 118.95 118.27 2o4p s ARG 41 Ca 0.00 -0.03 0.11 0.00 -0.52 0.00 0.00 55.73 55.28 2o4p s ARG 41 Cb 0.00 -2.51 -0.05 0.00 0.52 0.00 0.00 34.95 32.91 2o4p s ARG 41 CO 0.00 -0.04 -0.12 1.67 0.02 0.00 0.00 175.30 176.83 2o4p s TRP 42 N -2.53 2.41 0.18 -0.53 1.48 -1.26 -4.65 118.94 114.03 2o4p s TRP 42 Ca 0.44 -0.36 0.07 0.00 -1.06 0.00 0.00 56.10 55.19 2o4p s TRP 42 Cb -0.10 -1.16 -0.04 0.00 -1.16 0.00 0.00 33.47 31.01 2o4p s TRP 42 CO 0.40 0.65 -0.14 -1.59 -4.06 0.00 0.00 176.95 172.22 2o4p s LYS 43 N -3.58 1.22 0.32 3.25 -2.85 -0.57 -4.92 119.74 112.61 2o4p s LYS 43 Ca 0.31 -1.49 -0.24 0.00 -1.00 0.00 0.00 55.97 53.55 2o4p s LYS 43 Cb -0.03 -0.99 -0.10 0.00 -2.06 0.00 0.00 37.83 34.65 2o4p s LYS 43 CO 0.17 0.16 0.90 -1.25 0.10 0.00 0.00 175.35 175.43 2o4p s PRO 44 N -3.46 4.47 -0.03 1.78 0.04 -1.26 -0.58 135.00 135.96 2o4p s PRO 44 Ca 0.19 1.21 -0.07 0.00 0.04 0.00 0.00 61.00 62.36 2o4p s PRO 44 Cb -0.01 -2.74 0.01 0.00 0.04 0.00 0.00 34.50 31.80 2o4p s PRO 44 CO 0.05 0.26 0.16 0.21 0.04 0.00 0.00 177.00 177.72 2o4p s LYS 45 N -2.19 0.38 -0.13 4.56 2.20 -1.05 -4.84 119.74 118.66 2o4p s LYS 45 Ca 0.50 -0.12 -0.01 0.00 -0.36 0.00 0.00 55.97 55.98 2o4p s LYS 45 Cb -0.17 0.16 -0.02 0.00 -1.51 0.00 0.00 37.83 36.29 2o4p s LYS 45 CO 0.22 -0.08 -0.10 -1.64 -0.36 0.00 0.00 175.35 173.39 2o4p s MET 46 N -0.77 3.42 0.14 4.03 -1.94 -1.26 -1.15 119.30 121.77 2o4p s MET 46 Ca -0.09 -0.62 0.06 0.00 -1.71 0.00 0.00 55.69 53.33 2o4p s MET 46 Cb -0.05 -2.71 -0.04 0.00 2.01 0.00 0.00 34.83 34.04 2o4p s MET 46 CO 0.01 0.26 -0.13 0.96 -0.01 0.00 0.00 175.02 176.11 2o4p s ILE 47 N 0.25 1.33 -0.04 2.53 -4.36 -0.22 -4.97 121.20 115.72 2o4p s ILE 47 Ca -0.07 -1.87 0.05 0.00 -0.26 0.00 0.00 60.65 58.49 2o4p s ILE 47 Cb -0.15 -1.68 -0.02 0.00 1.25 0.00 0.00 42.46 41.86 2o4p s ILE 47 CO 0.04 -0.53 -0.17 -0.83 0.24 0.00 0.00 174.94 173.69 2o4p s GLY 48 N -2.76 1.47 0.00 6.27 0.00 -1.26 -0.58 107.32 110.46 2o4p s GLY 48 Ca 0.13 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.83 2o4p s GLY 48 CO 0.03 -0.81 0.00 0.61 0.00 0.00 0.00 173.10 172.92 2o4p n GLY 49 N 2.32 5.03 0.24 0.20 0.00 -0.13 -4.98 105.19 107.86 2o4p n GLY 49 Ca -0.17 -1.91 0.08 0.00 0.00 0.00 0.00 46.02 44.02 2o4p n GLY 49 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2o4p h ILE 50 N 0.66 0.93 -0.02 -0.61 3.07 -2.02 -2.80 117.51 116.71 2o4p h ILE 50 Ca 0.00 -0.56 0.00 0.00 1.55 0.00 0.00 64.86 65.85 2o4p h ILE 50 Cb 0.00 1.32 0.00 0.00 -0.27 0.00 0.00 36.82 37.87 2o4p h ILE 50 CO 0.00 0.15 -0.01 0.61 -1.05 0.00 0.00 178.15 177.85 2o4p n GLY 51 N -0.93 0.34 0.00 0.16 0.00 -1.26 -5.07 105.19 98.43 2o4p n GLY 51 Ca -0.02 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2o4p n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o4p n GLY 52 N 1.24 0.62 3.86 -0.02 0.00 -1.06 -5.09 105.19 104.75 2o4p n GLY 52 Ca 0.17 -2.15 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 2o4p n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2o4p s PHE 53 N -0.94 3.54 0.10 1.61 0.40 -1.26 -0.96 117.98 120.46 2o4p s PHE 53 Ca 0.00 0.90 0.06 0.00 -0.60 0.00 0.00 56.93 57.29 2o4p s PHE 53 Cb 0.00 -2.26 -0.03 0.00 0.51 0.00 0.00 43.02 41.24 2o4p s PHE 53 CO 0.00 0.40 -0.15 0.96 0.70 0.00 0.00 175.22 177.14 2o4p s ILE 54 N -1.57 1.28 -0.19 0.64 -4.36 0.26 -4.98 121.20 112.28 2o4p s ILE 54 Ca 0.40 -1.55 -0.15 0.00 -0.26 0.00 0.00 60.65 59.08 2o4p s ILE 54 Cb -0.13 -1.37 -0.04 0.00 1.25 0.00 0.00 42.46 42.17 2o4p s ILE 54 CO 0.20 -0.32 0.35 -0.75 0.24 0.00 0.00 174.94 174.67 2o4p s LYS 55 N -2.27 4.20 0.20 0.37 2.47 -1.26 -1.06 119.74 122.39 2o4p s LYS 55 Ca 0.05 0.15 0.05 0.00 -1.56 0.00 0.00 55.97 54.66 2o4p s LYS 55 Cb -0.07 -3.50 -0.05 0.00 -1.46 0.00 0.00 37.83 32.75 2o4p s LYS 55 CO 0.03 0.06 -0.09 0.14 0.16 0.00 0.00 175.35 175.65 2o4p s VAL 56 N 1.02 1.35 -0.24 4.02 -7.23 -0.30 -4.60 120.40 114.43 2o4p s VAL 56 Ca 0.18 -2.10 -0.12 0.00 -1.81 0.00 0.00 61.98 58.13 2o4p s VAL 56 Cb -0.14 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.66 2o4p s VAL 56 CO 0.07 -0.56 0.21 -0.13 -0.31 0.00 0.00 175.10 174.38 2o4p s ARG 57 N -3.74 4.08 -0.29 4.82 0.52 0.46 -2.53 118.95 122.27 2o4p s ARG 57 Ca 0.22 -0.18 -0.16 0.00 -0.52 0.00 0.00 55.73 55.09 2o4p s ARG 57 Cb 0.02 -3.55 -0.03 0.00 0.52 0.00 0.00 34.95 31.92 2o4p s ARG 57 CO 0.05 0.02 0.45 -1.14 0.02 0.00 0.00 175.30 174.70 2o4p s GLN 58 N 1.16 3.93 -0.20 3.54 0.74 0.25 -0.38 119.66 128.70 2o4p s GLN 58 Ca 0.10 0.07 -0.04 0.00 0.05 0.00 0.00 55.36 55.54 2o4p s GLN 58 Cb -0.14 -3.69 -0.01 0.00 1.10 0.00 0.00 33.01 30.26 2o4p s GLN 58 CO 0.06 -0.39 -0.04 0.71 -0.55 0.00 0.00 175.29 175.08 2o4p s TYR 59 N 2.21 2.97 0.39 1.67 1.51 -0.25 -1.50 117.35 124.33 2o4p s TYR 59 Ca 0.18 -0.74 -0.04 0.00 -1.01 0.00 0.00 57.07 55.46 2o4p s TYR 59 Cb -0.16 -2.07 -0.04 0.00 -0.11 0.00 0.00 41.96 39.59 2o4p s TYR 59 CO 0.10 -0.40 0.65 -0.51 -1.11 0.00 0.00 175.55 174.28 2o4p s ASP 60 N 1.18 6.34 -1.40 2.29 1.01 -1.26 -0.55 116.67 124.28 2o4p s ASP 60 Ca 0.02 0.73 -0.03 0.00 0.71 0.00 0.00 52.55 53.98 2o4p s ASP 60 Cb -0.14 -2.16 0.02 0.00 1.01 0.00 0.00 42.92 41.65 2o4p s ASP 60 CO -0.00 -0.38 0.68 1.67 0.21 0.00 0.00 175.17 177.34 2o4p n GLN 61 N -1.72 -4.50 -3.39 8.23 7.27 -1.15 -4.89 117.38 117.23 2o4p n GLN 61 Ca -0.02 0.54 -0.38 0.00 0.07 0.00 0.00 57.00 57.22 2o4p n GLN 61 Cb 0.55 -5.05 -0.06 0.00 2.41 0.00 0.00 30.24 28.09 2o4p n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2o4p s ILE 62 N -3.66 5.19 -0.00 1.69 -1.09 0.19 -4.73 121.20 118.79 2o4p s ILE 62 Ca 0.16 0.85 -0.30 0.00 -2.23 0.00 0.00 60.65 59.13 2o4p s ILE 62 Cb -0.08 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.00 2o4p s ILE 62 CO 0.84 0.38 1.00 -0.76 -1.23 0.00 0.00 174.94 175.18 2o4p s LEU 63 N 0.32 4.36 -0.13 2.97 1.43 -1.26 -1.91 118.68 124.45 2o4p s LEU 63 Ca 0.24 1.68 -0.09 0.00 -1.03 0.00 0.00 54.13 54.93 2o4p s LEU 63 Cb -0.15 -3.57 0.05 0.00 0.03 0.00 0.00 46.19 42.55 2o4p s LEU 63 CO 0.09 -0.30 0.33 -0.51 0.23 0.00 0.00 176.35 176.20 2o4p s ILE 64 N 1.11 -0.02 -0.15 -0.59 2.07 -0.27 -4.51 121.20 118.84 2o4p s ILE 64 Ca 0.52 0.08 -0.05 0.00 -1.41 0.00 0.00 60.65 59.79 2o4p s ILE 64 Cb -0.22 -0.49 -0.04 0.00 0.13 0.00 0.00 42.46 41.85 2o4p s ILE 64 CO 0.27 0.03 0.02 -0.70 -1.91 0.00 0.00 174.94 172.66 2o4p s GLU 65 N 0.96 3.65 -0.23 3.50 2.12 -0.40 -0.26 118.70 128.04 2o4p s GLU 65 Ca -0.06 -0.40 0.00 0.00 0.36 0.00 0.00 54.97 54.87 2o4p s GLU 65 Cb -0.07 -3.03 0.06 0.00 0.26 0.00 0.00 34.13 31.34 2o4p s GLU 65 CO -0.07 0.38 -0.05 0.42 -0.54 0.00 0.00 175.26 175.40 2o4p s ILE 66 N 0.03 1.45 -1.51 -3.70 1.01 0.80 -0.38 121.20 118.90 2o4p s ILE 66 Ca 0.04 -1.15 -0.08 0.00 0.00 0.00 0.00 60.65 59.46 2o4p s ILE 66 Cb -0.13 -1.72 0.06 0.00 0.01 0.00 0.00 42.46 40.68 2o4p s ILE 66 CO 0.02 -0.09 0.64 0.00 0.00 0.00 0.00 174.94 175.50 2o4p n GLY 68 N -1.73 0.97 3.33 0.00 0.00 -1.26 -5.04 105.19 101.46 2o4p n GLY 68 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 2o4p n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2o4p s HIS 69 N -3.08 2.81 0.17 1.61 4.02 -0.48 -5.09 115.29 115.24 2o4p s HIS 69 Ca 0.00 -0.78 -0.30 0.00 1.02 0.00 0.00 55.06 55.00 2o4p s HIS 69 Cb 0.00 -1.87 -0.07 0.00 -1.02 0.00 0.00 32.58 29.62 2o4p s HIS 69 CO 0.00 -0.31 1.00 0.15 1.02 0.00 0.00 174.74 176.60 2o4p s LYS 70 N 0.55 4.71 0.04 1.40 -0.14 -1.26 -0.14 119.74 124.90 2o4p s LYS 70 Ca -0.09 1.55 0.00 0.00 -1.36 0.00 0.00 55.97 56.08 2o4p s LYS 70 Cb -0.16 -3.31 -0.03 0.00 -1.68 0.00 0.00 37.83 32.65 2o4p s LYS 70 CO 0.04 0.26 -0.04 0.00 -0.76 0.00 0.00 175.35 174.85 2o4p s ALA 71 N -0.46 0.41 -0.13 5.17 0.00 0.65 -4.71 121.76 122.68 2o4p s ALA 71 Ca 0.46 -0.87 -0.04 0.00 0.00 0.00 0.00 51.96 51.51 2o4p s ALA 71 Cb -0.26 0.16 0.05 0.00 0.00 0.00 0.00 23.12 23.07 2o4p s ALA 71 CO 0.32 -0.19 0.10 0.42 0.00 0.00 0.00 175.76 176.41 2o4p s ILE 72 N -2.29 -0.12 0.00 0.00 1.01 -1.26 -1.11 121.20 117.43 2o4p s ILE 72 Ca -0.06 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.63 2o4p s ILE 72 Cb -0.04 -0.45 0.00 0.00 0.01 0.00 0.00 42.46 41.98 2o4p s ILE 72 CO -0.03 -0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.39 2o4p n GLY 73 N 5.29 1.14 3.74 6.18 0.00 -0.80 -4.82 105.19 115.92 2o4p n GLY 73 Ca -0.06 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 2o4p n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2o4p s THR 74 N -2.15 4.36 -0.05 2.61 2.01 -1.26 -0.63 115.64 120.53 2o4p s THR 74 Ca 0.00 2.05 0.02 0.00 0.31 0.00 0.00 61.69 64.08 2o4p s THR 74 Cb 0.00 -4.31 0.01 0.00 0.01 0.00 0.00 72.50 68.21 2o4p s THR 74 CO 0.00 0.39 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.52 2o4p s VAL 75 N -0.43 0.95 -0.08 3.82 1.01 0.29 -4.57 120.40 121.40 2o4p s VAL 75 Ca 0.44 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 62.00 2o4p s VAL 75 Cb -0.24 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 2o4p s VAL 75 CO 0.30 0.31 0.09 -0.76 0.00 0.00 0.00 175.10 175.04 2o4p s LEU 76 N 0.61 4.03 -0.09 3.92 1.43 -0.07 -1.09 118.68 127.43 2o4p s LEU 76 Ca -0.12 0.30 0.04 0.00 -1.03 0.00 0.00 54.13 53.32 2o4p s LEU 76 Cb -0.14 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.02 2o4p s LEU 76 CO 0.02 0.36 -0.22 -0.69 0.23 0.00 0.00 176.35 176.06 2o4p s VAL 77 N -1.03 1.86 -0.67 -1.59 1.01 0.49 0.16 120.40 120.62 2o4p s VAL 77 Ca 0.17 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.24 2o4p s VAL 77 Cb -0.12 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.65 2o4p s VAL 77 CO 0.06 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2o4p n GLY 78 N 3.51 -1.26 3.59 4.51 0.00 -0.84 -0.41 105.19 114.29 2o4p n GLY 78 Ca -0.20 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 2o4p n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2o4p s PRO 79 N -0.33 3.40 0.01 1.61 0.04 -1.26 -4.04 135.00 134.43 2o4p s PRO 79 Ca 0.00 0.81 0.01 0.00 0.04 0.00 0.00 61.00 61.86 2o4p s PRO 79 Cb 0.00 -4.10 -0.01 0.00 0.04 0.00 0.00 34.50 30.43 2o4p s PRO 79 CO 0.00 -1.79 -0.04 -0.08 0.04 0.00 0.00 177.00 175.13 2o4p s THR 80 N 6.02 0.26 0.51 1.26 -1.32 -1.26 -5.04 115.64 116.07 2o4p s THR 80 Ca 0.61 -0.53 0.15 0.00 -1.21 0.00 0.00 61.69 60.71 2o4p s THR 80 Cb -0.13 -0.30 0.26 0.00 -1.51 0.00 0.00 72.50 70.82 2o4p s THR 80 CO 0.30 -0.18 2.13 1.55 -2.21 0.00 0.00 174.62 176.21 2o4p h PRO 81 N 5.37 0.02 -2.80 7.08 0.13 -1.98 -3.45 132.00 136.37 2o4p h PRO 81 Ca -0.30 -0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.77 2o4p h PRO 81 Cb 1.20 -0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.16 2o4p h PRO 81 CO 0.46 0.03 0.00 0.14 -0.23 0.00 0.00 178.00 178.40 2o4p s VAL 82 N -5.04 0.03 0.20 1.56 -7.23 -1.26 -5.12 120.40 103.55 2o4p s VAL 82 Ca -0.05 -0.29 -0.32 0.00 -1.81 0.00 0.00 61.98 59.51 2o4p s VAL 82 Cb 0.17 -0.95 -0.12 0.00 0.56 0.00 0.00 36.38 36.04 2o4p s VAL 82 CO 0.68 -0.16 1.72 0.20 -0.31 0.00 0.00 175.10 177.23 2o4p s ASN 83 N -1.90 6.40 -0.09 4.85 0.01 -1.26 -4.73 114.94 118.21 2o4p s ASN 83 Ca -0.06 2.84 0.03 0.00 -0.71 0.00 0.00 52.86 54.97 2o4p s ASN 83 Cb -0.01 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.06 2o4p s ASN 83 CO -0.01 -0.97 -0.21 -0.63 -1.51 0.00 0.00 177.10 173.77 2o4p s ILE 84 N 1.28 1.85 -0.32 0.60 1.01 0.59 -0.48 121.20 125.73 2o4p s ILE 84 Ca 0.75 -0.89 -0.10 0.00 0.00 0.00 0.00 60.65 60.40 2o4p s ILE 84 Cb -0.49 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.36 2o4p s ILE 84 CO 0.32 0.51 0.17 -0.63 0.00 0.00 0.00 174.94 175.31 2o4p s ILE 85 N 0.45 4.75 0.36 2.92 -1.09 -0.02 -0.90 121.20 127.68 2o4p s ILE 85 Ca -0.17 -0.37 0.05 0.00 -2.23 0.00 0.00 60.65 57.92 2o4p s ILE 85 Cb -0.17 -3.42 0.05 0.00 -1.58 0.00 0.00 42.46 37.33 2o4p s ILE 85 CO 0.07 0.05 0.39 0.61 -1.23 0.00 0.00 174.94 174.83 2o4p n GLY 86 N 5.01 2.39 0.27 6.18 0.00 -1.19 -1.12 105.19 116.72 2o4p n GLY 86 Ca -0.14 -2.22 0.10 0.00 0.00 0.00 0.00 46.02 43.77 2o4p n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2o4p h ARG 87 N 0.00 0.00 -0.57 1.61 3.08 -0.98 -1.52 114.38 116.00 2o4p h ARG 87 Ca -0.20 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.88 2o4p h ARG 87 Cb 0.80 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 2o4p h ARG 87 CO 0.30 0.01 0.38 -2.95 -1.07 0.00 0.00 179.97 176.64 2o4p h ASN 88 N 0.00 0.58 0.09 7.04 -1.07 -1.71 -1.19 115.58 119.31 2o4p h ASN 88 Ca -0.00 -0.01 -0.25 0.00 0.07 0.00 0.00 56.30 56.12 2o4p h ASN 88 Cb 0.02 -0.14 -0.05 0.00 -2.07 0.00 0.00 38.32 36.09 2o4p h ASN 88 CO 0.00 0.40 -2.16 0.18 0.07 0.00 0.00 177.43 175.92 2o4p n LEU 89 N -4.47 0.12 -0.02 6.14 4.77 -0.91 -3.99 117.00 118.64 2o4p n LEU 89 Ca 0.07 0.05 -0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2o4p n LEU 89 Cb 0.13 0.31 0.29 0.00 -2.33 0.00 0.00 43.42 41.82 2o4p n LEU 89 CO 0.35 0.32 0.97 -0.07 -1.33 0.00 0.00 177.39 177.63 2o4p h LEU 90 N 0.00 0.54 -0.74 2.23 3.38 -1.08 -2.01 115.31 117.63 2o4p h LEU 90 Ca -0.35 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.43 2o4p h LEU 90 Cb 1.83 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.43 2o4p h LEU 90 CO 0.03 0.57 -0.06 0.71 0.09 0.00 0.00 178.44 179.77 2o4p h THR 91 N 0.56 1.26 -0.71 0.22 1.35 -1.38 -1.17 112.91 113.04 2o4p h THR 91 Ca 0.13 -1.16 -0.04 0.00 -0.55 0.00 0.00 66.41 64.79 2o4p h THR 91 Cb 0.28 0.93 -0.03 0.00 -1.73 0.00 0.00 68.15 67.60 2o4p h THR 91 CO 0.00 0.41 0.27 1.56 -0.25 0.00 0.00 175.52 177.51 2o4p h GLN 92 N 0.82 1.05 -0.01 4.72 4.20 -1.50 -2.43 115.11 121.96 2o4p h GLN 92 Ca 0.14 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2o4p h GLN 92 Cb 0.57 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2o4p h GLN 92 CO 0.03 0.86 -0.02 0.44 -0.67 0.00 0.00 178.83 179.48 2o4p n ILE 93 N -4.29 0.00 -0.52 2.54 -5.35 -1.01 -4.93 119.36 105.80 2o4p n ILE 93 Ca 0.06 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 2o4p n ILE 93 Cb 0.19 0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.22 2o4p n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2o4p n GLY 94 N 1.13 0.68 3.71 3.28 0.00 -0.91 -5.04 105.19 108.04 2o4p n GLY 94 Ca 0.20 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 2o4p n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o4p s THR 96 N 1.03 1.78 -0.16 0.00 -4.23 -1.26 -4.70 115.64 108.09 2o4p s THR 96 Ca 0.60 -2.22 -0.13 0.00 -1.18 0.00 0.00 61.69 58.77 2o4p s THR 96 Cb -0.32 -2.12 -0.05 0.00 1.34 0.00 0.00 72.50 71.35 2o4p s THR 96 CO 0.30 -0.54 0.28 -0.76 -0.54 0.00 0.00 174.62 173.35 2o4p s LEU 97 N -3.35 4.25 -0.05 4.79 1.43 -1.26 -5.10 118.68 119.39 2o4p s LEU 97 Ca 0.24 0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.85 2o4p s LEU 97 Cb -0.00 -2.34 0.01 0.00 0.03 0.00 0.00 46.19 43.89 2o4p s LEU 97 CO 0.08 0.12 -0.08 0.20 0.23 0.00 0.00 176.35 176.90 2o4p s ASN 98 N 0.40 1.28 0.00 2.29 -0.87 -1.26 -5.30 114.94 111.48 2o4p s ASN 98 Ca 0.16 -0.20 0.00 0.00 -1.57 0.00 0.00 52.86 51.25 2o4p s ASN 98 Cb -0.13 -0.54 0.00 0.00 -0.02 0.00 0.00 41.25 40.56 2o4p s ASN 98 CO 0.03 0.01 0.00 2.22 -2.57 0.00 0.00 177.10 176.79