#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o4s s GLN 2 N 0.00 3.49 -0.22 0.54 0.74 -1.26 -5.11 119.66 117.85 2o4s s GLN 2 Ca 0.00 -0.58 -0.02 0.00 0.05 0.00 0.00 55.36 54.81 2o4s s GLN 2 Cb 0.00 -3.00 0.01 0.00 1.10 0.00 0.00 33.01 31.13 2o4s s GLN 2 CO 0.00 -0.04 -0.09 0.42 -0.55 0.00 0.00 175.29 175.03 2o4s s ILE 3 N 1.11 2.86 0.84 -2.34 1.01 -1.26 -5.11 121.20 118.31 2o4s s ILE 3 Ca 0.02 -0.81 -0.12 0.00 0.00 0.00 0.00 60.65 59.74 2o4s s ILE 3 Cb -0.15 -2.34 0.12 0.00 0.01 0.00 0.00 42.46 40.10 2o4s s ILE 3 CO 0.00 0.36 1.20 0.42 0.00 0.00 0.00 174.94 176.92 2o4s s THR 4 N 1.37 2.04 -0.09 2.92 -4.23 -1.26 -5.03 115.64 111.37 2o4s s THR 4 Ca 0.03 -0.05 0.13 0.00 -1.18 0.00 0.00 61.69 60.62 2o4s s THR 4 Cb -0.15 -2.99 0.20 0.00 1.34 0.00 0.00 72.50 70.90 2o4s s THR 4 CO -0.06 0.00 1.09 0.18 -0.54 0.00 0.00 174.62 175.29 2o4s n LEU 5 N -3.39 2.01 0.23 4.79 4.77 -1.26 -4.63 117.00 119.52 2o4s n LEU 5 Ca 0.10 -2.59 0.06 0.00 -0.03 0.00 0.00 56.01 53.55 2o4s n LEU 5 Cb 0.60 -0.29 0.52 0.00 -2.33 0.00 0.00 43.42 41.93 2o4s n LEU 5 CO 0.52 0.61 0.92 -0.50 -1.33 0.00 0.00 177.39 177.61 2o4s h TRP 6 N 0.00 0.00 -1.69 -1.77 4.06 -2.06 -3.43 115.95 111.05 2o4s h TRP 6 Ca 0.00 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.34 2o4s h TRP 6 Cb 0.93 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 28.96 2o4s h TRP 6 CO 0.01 0.16 -0.59 0.15 -3.56 0.00 0.00 178.44 174.61 2o4s s LYS 7 N -4.67 1.94 0.32 0.49 1.02 -1.26 -5.11 119.74 112.46 2o4s s LYS 7 Ca -0.04 -2.12 -0.29 0.00 0.02 0.00 0.00 55.97 53.54 2o4s s LYS 7 Cb 0.16 -1.51 -0.11 0.00 -0.52 0.00 0.00 37.83 35.85 2o4s s LYS 7 CO 0.69 -0.11 1.56 1.03 -0.92 0.00 0.00 175.35 177.61 2o4s s ARG 8 N -3.75 4.12 -1.35 1.68 0.52 -1.26 -4.86 118.95 114.04 2o4s s ARG 8 Ca 0.32 2.58 -0.16 0.00 -0.52 0.00 0.00 55.73 57.95 2o4s s ARG 8 Cb 0.09 -3.01 0.02 0.00 0.52 0.00 0.00 34.95 32.57 2o4s s ARG 8 CO 0.16 -0.60 2.08 -0.35 0.02 0.00 0.00 175.30 176.60 2o4s n PRO 9 N 1.71 2.77 -3.37 3.54 -0.04 -1.26 -4.92 135.00 133.43 2o4s n PRO 9 Ca 0.06 -2.69 -0.38 0.00 -0.04 0.00 0.00 63.50 60.45 2o4s n PRO 9 Cb 0.38 -3.32 -0.06 0.00 -0.04 0.00 0.00 33.50 30.46 2o4s n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2o4s s LEU 10 N 2.87 4.43 0.18 1.53 1.43 -1.26 -1.15 118.68 126.71 2o4s s LEU 10 Ca 0.50 1.01 0.01 0.00 -1.03 0.00 0.00 54.13 54.63 2o4s s LEU 10 Cb 0.11 -2.72 -0.05 0.00 0.03 0.00 0.00 46.19 43.57 2o4s s LEU 10 CO -0.02 0.21 0.03 0.68 0.23 0.00 0.00 176.35 177.47 2o4s s VAL 11 N -0.55 0.56 -0.03 -1.59 -7.23 -0.18 -4.94 120.40 106.44 2o4s s VAL 11 Ca 0.26 -1.98 -0.19 0.00 -1.81 0.00 0.00 61.98 58.27 2o4s s VAL 11 Cb -0.17 -2.21 -0.05 0.00 0.56 0.00 0.00 36.38 34.50 2o4s s VAL 11 CO 0.14 -0.37 0.53 -0.89 -0.31 0.00 0.00 175.10 174.20 2o4s s THR 12 N -3.74 5.00 0.30 5.32 2.01 -1.26 -0.88 115.64 122.38 2o4s s THR 12 Ca 0.27 1.10 0.11 0.00 0.31 0.00 0.00 61.69 63.47 2o4s s THR 12 Cb 0.07 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 2o4s s THR 12 CO 0.06 0.43 -0.14 0.27 -0.69 0.00 0.00 174.62 174.55 2o4s s ILE 13 N -0.16 2.56 -0.07 1.82 -4.36 0.56 -1.60 121.20 119.96 2o4s s ILE 13 Ca 0.28 -2.27 0.02 0.00 -0.26 0.00 0.00 60.65 58.43 2o4s s ILE 13 Cb -0.17 -2.48 0.01 0.00 1.25 0.00 0.00 42.46 41.07 2o4s s ILE 13 CO 0.15 -0.34 -0.12 -0.75 0.24 0.00 0.00 174.94 174.12 2o4s s LYS 14 N -3.57 1.71 -0.12 0.37 2.20 -0.03 -1.37 119.74 118.93 2o4s s LYS 14 Ca 0.31 -0.41 -0.08 0.00 -0.36 0.00 0.00 55.97 55.43 2o4s s LYS 14 Cb -0.03 -1.43 0.04 0.00 -1.51 0.00 0.00 37.83 34.90 2o4s s LYS 14 CO 0.16 0.01 0.30 -1.50 -0.36 0.00 0.00 175.35 173.96 2o4s s ILE 15 N 0.73 -0.02 -1.43 5.43 2.07 -0.38 -0.99 121.20 126.61 2o4s s ILE 15 Ca -0.13 0.08 -0.09 0.00 -1.41 0.00 0.00 60.65 59.09 2o4s s ILE 15 Cb -0.16 -0.44 0.05 0.00 0.13 0.00 0.00 42.46 42.05 2o4s s ILE 15 CO 0.03 0.03 0.66 0.61 -1.91 0.00 0.00 174.94 174.36 2o4s n GLY 16 N 3.69 -0.50 3.03 1.50 0.00 -1.26 -1.46 105.19 110.19 2o4s n GLY 16 Ca -0.20 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2o4s n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o4s n GLY 17 N -1.42 0.75 3.53 -0.02 0.00 -1.26 -5.01 105.19 101.76 2o4s n GLY 17 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 2o4s n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2o4s s GLN 18 N -0.22 2.62 0.03 1.61 -0.21 -0.53 -5.11 119.66 117.85 2o4s s GLN 18 Ca 0.00 -0.62 -0.23 0.00 0.02 0.00 0.00 55.36 54.53 2o4s s GLN 18 Cb 0.00 -2.49 -0.06 0.00 1.00 0.00 0.00 33.01 31.47 2o4s s GLN 18 CO 0.00 0.64 0.68 -0.51 -2.12 0.00 0.00 175.29 173.99 2o4s s LEU 19 N -0.79 4.45 0.13 2.90 1.43 -1.26 -1.25 118.68 124.29 2o4s s LEU 19 Ca 0.12 1.32 0.03 0.00 -1.03 0.00 0.00 54.13 54.57 2o4s s LEU 19 Cb -0.11 -3.08 -0.04 0.00 0.03 0.00 0.00 46.19 42.99 2o4s s LEU 19 CO 0.01 0.07 -0.06 -0.54 0.23 0.00 0.00 176.35 176.07 2o4s s LYS 20 N -0.22 0.98 -0.08 1.70 1.02 -0.47 -4.99 119.74 117.68 2o4s s LYS 20 Ca 0.35 -1.43 -0.13 0.00 0.02 0.00 0.00 55.97 54.78 2o4s s LYS 20 Cb -0.20 -0.36 -0.05 0.00 -0.52 0.00 0.00 37.83 36.71 2o4s s LYS 20 CO 0.20 -0.02 0.32 -2.00 -0.92 0.00 0.00 175.35 172.94 2o4s s GLU 21 N -3.83 3.96 0.04 1.68 2.12 -1.26 -0.32 118.70 121.08 2o4s s GLU 21 Ca 0.17 0.21 -0.09 0.00 0.36 0.00 0.00 54.97 55.61 2o4s s GLU 21 Cb 0.05 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 31.15 2o4s s GLU 21 CO -0.01 0.53 0.19 0.00 -0.54 0.00 0.00 175.26 175.43 2o4s s ALA 22 N -0.47 -0.35 -0.18 6.30 0.00 -0.06 -4.50 121.76 122.50 2o4s s ALA 22 Ca 0.20 -0.28 -0.18 0.00 0.00 0.00 0.00 51.96 51.71 2o4s s ALA 22 Cb -0.14 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 2o4s s ALA 22 CO 0.08 -0.35 0.47 -1.17 0.00 0.00 0.00 175.76 174.80 2o4s s LEU 23 N -2.03 4.18 -0.37 0.00 2.96 0.58 -1.01 118.68 122.98 2o4s s LEU 23 Ca -0.06 0.65 -0.29 0.00 -0.22 0.00 0.00 54.13 54.22 2o4s s LEU 23 Cb -0.02 -2.64 0.01 0.00 0.50 0.00 0.00 46.19 44.04 2o4s s LEU 23 CO -0.03 -0.11 1.39 -0.76 -1.32 0.00 0.00 176.35 175.51 2o4s s LEU 24 N 1.32 3.68 -0.31 -0.68 1.43 -0.30 -0.33 118.68 123.49 2o4s s LEU 24 Ca 0.23 0.96 0.02 0.00 -1.03 0.00 0.00 54.13 54.30 2o4s s LEU 24 Cb -0.15 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.62 2o4s s LEU 24 CO 0.09 -1.33 0.05 -0.62 0.23 0.00 0.00 176.35 174.77 2o4s s ASP 25 N 3.62 4.32 0.14 2.29 2.15 -0.02 -4.78 116.67 124.38 2o4s s ASP 25 Ca 0.60 -1.78 0.22 0.00 0.43 0.00 0.00 52.55 52.03 2o4s s ASP 25 Cb -0.15 -1.25 0.89 0.00 -0.30 0.00 0.00 42.92 42.11 2o4s s ASP 25 CO 0.30 -0.37 1.69 0.35 -0.17 0.00 0.00 175.17 176.97 2o4s n THR 26 N 4.56 0.70 1.69 1.71 -2.24 -1.26 -2.14 114.28 117.31 2o4s n THR 26 Ca -0.01 0.10 0.15 0.00 -2.27 0.00 0.00 64.05 62.02 2o4s n THR 26 Cb 0.42 -0.90 0.71 0.00 -2.10 0.00 0.00 70.33 68.46 2o4s n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2o4s n GLY 27 N 0.48 -0.53 3.38 3.38 0.00 -1.26 -4.83 105.19 105.81 2o4s n GLY 27 Ca 0.04 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 2o4s n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o4s s ALA 28 N -2.06 2.67 0.17 4.61 0.00 -0.91 -5.00 121.76 121.24 2o4s s ALA 28 Ca 0.41 -0.91 -0.06 0.00 0.00 0.00 0.00 51.96 51.41 2o4s s ALA 28 Cb 0.21 -1.29 0.05 0.00 0.00 0.00 0.00 23.12 22.10 2o4s s ALA 28 CO 0.37 0.18 1.48 -0.44 0.00 0.00 0.00 175.76 177.35 2o4s h ASP 29 N 6.83 0.73 -2.68 0.00 3.32 -1.88 0.16 116.42 122.90 2o4s h ASP 29 Ca -0.28 -0.39 -0.53 0.00 0.02 0.00 0.00 57.03 55.85 2o4s h ASP 29 Cb 1.21 -0.21 -0.13 0.00 0.22 0.00 0.00 39.33 40.41 2o4s h ASP 29 CO 0.57 1.13 -0.59 -1.81 -1.72 0.00 0.00 179.24 176.82 2o4s s ASP 30 N -6.93 2.87 -0.21 6.45 1.01 -1.26 -2.54 116.67 116.06 2o4s s ASP 30 Ca -0.08 -1.44 -0.09 0.00 0.71 0.00 0.00 52.55 51.64 2o4s s ASP 30 Cb 0.11 -0.01 -0.05 0.00 1.01 0.00 0.00 42.92 43.98 2o4s s ASP 30 CO 0.86 -0.65 0.12 -0.89 0.21 0.00 0.00 175.17 174.82 2o4s s THR 31 N -3.14 5.22 -0.04 -1.27 2.01 -1.26 -3.29 115.64 113.87 2o4s s THR 31 Ca 0.32 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.45 2o4s s THR 31 Cb 0.07 -3.40 0.03 0.00 0.01 0.00 0.00 72.50 69.21 2o4s s THR 31 CO 0.15 0.41 -0.01 0.54 -0.69 0.00 0.00 174.62 175.02 2o4s s VAL 32 N 0.60 0.33 0.16 3.82 0.11 -0.52 -0.53 120.40 124.37 2o4s s VAL 32 Ca 0.07 0.04 0.08 0.00 -2.93 0.00 0.00 61.98 59.23 2o4s s VAL 32 Cb -0.12 -0.42 -0.04 0.00 -1.53 0.00 0.00 36.38 34.27 2o4s s VAL 32 CO 0.01 0.20 -0.04 -0.76 -3.33 0.00 0.00 175.10 171.17 2o4s s LEU 33 N 1.25 3.18 0.90 2.54 1.43 0.10 -0.56 118.68 127.53 2o4s s LEU 33 Ca -0.06 -0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 52.50 2o4s s LEU 33 Cb -0.13 -1.87 0.14 0.00 0.03 0.00 0.00 46.19 44.36 2o4s s LEU 33 CO -0.02 0.11 1.15 -1.61 0.23 0.00 0.00 176.35 176.21 2o4s s GLU 34 N -2.78 1.10 0.02 1.70 2.02 -1.26 -1.82 118.70 117.68 2o4s s GLU 34 Ca 0.26 1.54 -0.39 0.00 0.02 0.00 0.00 54.97 56.40 2o4s s GLU 34 Cb -0.09 -1.74 -0.19 0.00 0.10 0.00 0.00 34.13 32.21 2o4s s GLU 34 CO 0.17 -2.57 1.19 -1.91 0.02 0.00 0.00 175.26 172.16 2o4s n GLU 35 N -4.17 0.44 -3.78 1.61 4.07 -1.23 -4.63 120.64 112.96 2o4s n GLU 35 Ca 0.12 0.16 -0.04 0.00 -0.06 0.00 0.00 57.16 57.34 2o4s n GLU 35 Cb 0.52 -1.72 -0.01 0.00 -0.06 0.00 0.00 31.44 30.17 2o4s n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2o4s s MET 36 N 0.31 1.32 -0.11 5.31 0.23 -1.26 -5.05 119.30 120.04 2o4s s MET 36 Ca 0.89 -0.73 -0.14 0.00 -1.03 0.00 0.00 55.69 54.68 2o4s s MET 36 Cb -1.15 0.45 -0.05 0.00 -1.53 0.00 0.00 34.83 32.55 2o4s s MET 36 CO 0.54 -0.60 0.34 -1.12 -2.03 0.00 0.00 175.02 172.15 2o4s s SER 37 N -2.94 6.57 0.10 -1.18 0.01 -1.26 -5.04 113.70 109.95 2o4s s SER 37 Ca 0.12 0.67 0.05 0.00 1.31 0.00 0.00 55.95 58.10 2o4s s SER 37 Cb -0.02 -2.21 -0.03 0.00 0.21 0.00 0.00 66.02 63.96 2o4s s SER 37 CO 0.03 0.15 -0.12 -0.76 0.41 0.00 0.00 173.24 172.96 2o4s s LEU 38 N 0.03 2.38 0.66 2.44 1.43 -1.26 -4.98 118.68 119.38 2o4s s LEU 38 Ca 0.20 -0.77 -0.13 0.00 -1.03 0.00 0.00 54.13 52.40 2o4s s LEU 38 Cb -0.14 -0.43 -0.01 0.00 0.03 0.00 0.00 46.19 45.65 2o4s s LEU 38 CO 0.07 -0.18 1.06 -2.16 0.23 0.00 0.00 176.35 175.37 2o4s s PRO 39 N -2.52 3.04 0.86 1.29 0.04 -1.26 -4.96 135.00 131.50 2o4s s PRO 39 Ca 0.05 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.16 2o4s s PRO 39 Cb -0.05 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2o4s s PRO 39 CO 0.02 -1.02 0.00 0.41 0.04 0.00 0.00 177.00 176.44 2o4s n GLY 40 N -1.52 -1.87 3.90 0.56 0.00 -1.26 -4.92 105.19 100.08 2o4s n GLY 40 Ca 0.08 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.20 2o4s n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2o4s s ARG 41 N 0.00 3.65 0.19 1.61 0.52 -1.26 -5.11 118.95 118.56 2o4s s ARG 41 Ca 0.00 0.03 0.10 0.00 -0.52 0.00 0.00 55.73 55.33 2o4s s ARG 41 Cb 0.00 -2.67 -0.04 0.00 0.52 0.00 0.00 34.95 32.76 2o4s s ARG 41 CO 0.00 0.26 -0.20 1.67 0.02 0.00 0.00 175.30 177.05 2o4s s TRP 42 N -2.00 1.99 0.27 -0.53 1.48 -1.26 -4.63 118.94 114.25 2o4s s TRP 42 Ca 0.44 -0.43 0.11 0.00 -1.06 0.00 0.00 56.10 55.15 2o4s s TRP 42 Cb -0.11 -0.97 -0.05 0.00 -1.16 0.00 0.00 33.47 31.19 2o4s s TRP 42 CO 0.28 0.42 -0.10 0.15 -4.06 0.00 0.00 176.95 173.64 2o4s s LYS 43 N -2.92 1.99 0.34 3.25 1.02 -0.51 -4.89 119.74 118.02 2o4s s LYS 43 Ca 0.19 -1.58 -0.25 0.00 0.02 0.00 0.00 55.97 54.34 2o4s s LYS 43 Cb -0.06 -1.97 -0.10 0.00 -0.52 0.00 0.00 37.83 35.18 2o4s s LYS 43 CO 0.08 0.35 0.96 -1.25 -0.92 0.00 0.00 175.35 174.58 2o4s s PRO 44 N -3.57 4.49 -0.12 -1.68 0.04 -1.26 -0.35 135.00 132.55 2o4s s PRO 44 Ca 0.31 1.34 -0.11 0.00 0.04 0.00 0.00 61.00 62.58 2o4s s PRO 44 Cb -0.06 -2.71 0.03 0.00 0.04 0.00 0.00 34.50 31.81 2o4s s PRO 44 CO 0.17 0.19 0.32 0.21 0.04 0.00 0.00 177.00 177.93 2o4s s LYS 45 N -2.22 0.37 -0.20 4.56 2.20 -1.09 -4.84 119.74 118.52 2o4s s LYS 45 Ca 0.52 0.45 -0.04 0.00 -0.36 0.00 0.00 55.97 56.55 2o4s s LYS 45 Cb -0.18 0.17 -0.01 0.00 -1.51 0.00 0.00 37.83 36.30 2o4s s LYS 45 CO 0.23 -0.05 -0.05 -1.64 -0.36 0.00 0.00 175.35 173.49 2o4s s MET 46 N 0.21 3.43 -0.43 4.03 -1.94 -1.26 -1.45 119.30 121.89 2o4s s MET 46 Ca -0.00 -0.61 0.02 0.00 -1.71 0.00 0.00 55.69 53.39 2o4s s MET 46 Cb -0.03 -2.96 0.13 0.00 2.01 0.00 0.00 34.83 33.98 2o4s s MET 46 CO 0.00 -0.09 0.22 0.96 -0.01 0.00 0.00 175.02 176.09 2o4s s ILE 47 N 1.21 1.56 -0.23 2.53 -4.36 -1.04 -5.03 121.20 115.84 2o4s s ILE 47 Ca 0.02 -2.52 -0.22 0.00 -0.26 0.00 0.00 60.65 57.67 2o4s s ILE 47 Cb -0.14 -2.10 -0.02 0.00 1.25 0.00 0.00 42.46 41.45 2o4s s ILE 47 CO -0.01 -0.84 0.72 -0.83 0.24 0.00 0.00 174.94 174.22 2o4s s GLY 48 N 0.43 1.89 0.00 6.27 0.00 -1.26 -3.10 107.32 111.55 2o4s s GLY 48 Ca 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.64 2o4s s GLY 48 CO -0.03 1.56 0.00 0.61 0.00 0.00 0.00 173.10 175.24 2o4s n GLY 49 N 3.85 6.82 3.70 0.20 0.00 0.23 -4.89 105.19 115.10 2o4s n GLY 49 Ca 0.02 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 2o4s n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2o4s n ILE 50 N 0.00 1.36 0.00 -0.61 5.41 -1.26 -1.87 119.36 122.39 2o4s n ILE 50 Ca 0.00 -0.34 0.00 0.00 1.00 0.00 0.00 62.75 63.41 2o4s n ILE 50 Cb 0.00 -1.63 0.00 0.00 -0.71 0.00 0.00 39.64 37.30 2o4s n ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2o4s n GLY 51 N 1.62 2.46 0.00 7.39 0.00 -1.26 -4.91 105.19 110.48 2o4s n GLY 51 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2o4s n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o4s n GLY 52 N -2.00 0.78 3.67 -0.02 0.00 -0.78 -5.09 105.19 101.74 2o4s n GLY 52 Ca 0.00 -2.00 -0.31 0.00 0.00 0.00 0.00 46.02 43.72 2o4s n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2o4s s PHE 53 N -1.97 2.96 0.14 1.61 0.40 -1.26 0.78 117.98 120.65 2o4s s PHE 53 Ca 0.00 -0.03 0.09 0.00 -0.60 0.00 0.00 56.93 56.39 2o4s s PHE 53 Cb 0.00 -1.55 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 2o4s s PHE 53 CO 0.00 0.46 -0.20 0.96 0.70 0.00 0.00 175.22 177.14 2o4s s ILE 54 N -1.24 1.86 0.01 0.64 -4.36 -1.18 -4.94 121.20 111.99 2o4s s ILE 54 Ca 0.24 -1.78 -0.19 0.00 -0.26 0.00 0.00 60.65 58.66 2o4s s ILE 54 Cb -0.12 -1.77 -0.06 0.00 1.25 0.00 0.00 42.46 41.76 2o4s s ILE 54 CO 0.16 -0.18 0.53 -0.54 0.24 0.00 0.00 174.94 175.15 2o4s s LYS 55 N -2.42 4.19 0.25 0.37 1.02 -1.26 -2.49 119.74 119.41 2o4s s LYS 55 Ca 0.13 0.64 0.02 0.00 0.02 0.00 0.00 55.97 56.78 2o4s s LYS 55 Cb -0.08 -3.29 -0.05 0.00 -0.52 0.00 0.00 37.83 33.89 2o4s s LYS 55 CO 0.06 0.52 0.05 0.14 -0.92 0.00 0.00 175.35 175.20 2o4s s VAL 56 N -0.64 0.81 -0.22 3.17 -7.23 -0.53 -4.42 120.40 111.34 2o4s s VAL 56 Ca 0.28 -2.01 -0.08 0.00 -1.81 0.00 0.00 61.98 58.36 2o4s s VAL 56 Cb -0.18 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 2o4s s VAL 56 CO 0.16 -0.14 0.10 -0.13 -0.31 0.00 0.00 175.10 174.78 2o4s s ARG 57 N -3.95 3.91 -0.35 4.82 0.52 0.48 -2.65 118.95 121.73 2o4s s ARG 57 Ca 0.33 -0.36 -0.17 0.00 -0.52 0.00 0.00 55.73 55.01 2o4s s ARG 57 Cb 0.07 -3.36 -0.01 0.00 0.52 0.00 0.00 34.95 32.18 2o4s s ARG 57 CO 0.12 0.06 0.45 -1.14 0.02 0.00 0.00 175.30 174.81 2o4s s GLN 58 N 0.98 3.60 -0.19 3.54 0.74 0.53 -0.85 119.66 128.01 2o4s s GLN 58 Ca 0.05 -0.26 -0.06 0.00 0.05 0.00 0.00 55.36 55.14 2o4s s GLN 58 Cb -0.14 -3.81 -0.03 0.00 1.10 0.00 0.00 33.01 30.14 2o4s s GLN 58 CO 0.03 -0.59 0.02 0.71 -0.55 0.00 0.00 175.29 174.91 2o4s s TYR 59 N 2.23 3.10 0.24 1.67 1.51 -0.39 -1.42 117.35 124.30 2o4s s TYR 59 Ca 0.16 -0.25 0.02 0.00 -1.01 0.00 0.00 57.07 55.98 2o4s s TYR 59 Cb -0.16 -2.07 -0.04 0.00 -0.11 0.00 0.00 41.96 39.58 2o4s s TYR 59 CO 0.13 -0.08 0.41 -0.51 -1.11 0.00 0.00 175.55 174.38 2o4s s ASP 60 N 0.73 6.34 -1.32 2.29 1.01 -1.26 -0.72 116.67 123.74 2o4s s ASP 60 Ca 0.01 0.30 -0.04 0.00 0.71 0.00 0.00 52.55 53.52 2o4s s ASP 60 Cb -0.14 -1.96 0.02 0.00 1.01 0.00 0.00 42.92 41.85 2o4s s ASP 60 CO 0.02 -0.10 0.93 0.00 0.21 0.00 0.00 175.17 176.23 2o4s n GLN 61 N -1.13 -6.14 -3.65 8.23 1.13 -1.13 -4.89 117.38 109.80 2o4s n GLN 61 Ca -0.06 0.73 -0.37 0.00 -1.94 0.00 0.00 57.00 55.35 2o4s n GLN 61 Cb 0.55 -5.58 -0.06 0.00 0.11 0.00 0.00 30.24 25.26 2o4s n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2o4s s ILE 62 N -3.44 5.28 -0.04 5.09 -1.09 0.12 -4.73 121.20 122.38 2o4s s ILE 62 Ca 0.23 0.53 -0.30 0.00 -2.23 0.00 0.00 60.65 58.88 2o4s s ILE 62 Cb -0.11 -3.58 -0.03 0.00 -1.58 0.00 0.00 42.46 37.17 2o4s s ILE 62 CO 0.77 0.54 1.06 -0.76 -1.23 0.00 0.00 174.94 175.32 2o4s s LEU 63 N -0.61 4.31 -0.14 2.97 1.02 -1.26 -1.08 118.68 123.89 2o4s s LEU 63 Ca 0.18 1.69 -0.12 0.00 0.02 0.00 0.00 54.13 55.91 2o4s s LEU 63 Cb -0.14 -3.56 0.04 0.00 0.02 0.00 0.00 46.19 42.55 2o4s s LEU 63 CO 0.07 -0.41 0.37 -0.51 0.02 0.00 0.00 176.35 175.89 2o4s s ILE 64 N 1.59 -0.01 -0.14 -0.59 2.07 -0.48 -4.51 121.20 119.14 2o4s s ILE 64 Ca 0.52 0.03 -0.03 0.00 -1.41 0.00 0.00 60.65 59.76 2o4s s ILE 64 Cb -0.22 -0.52 -0.03 0.00 0.13 0.00 0.00 42.46 41.82 2o4s s ILE 64 CO 0.23 0.01 -0.05 -0.70 -1.91 0.00 0.00 174.94 172.53 2o4s s GLU 65 N 0.49 3.49 -0.18 3.50 2.12 -0.16 -0.47 118.70 127.48 2o4s s GLU 65 Ca -0.02 -0.53 0.01 0.00 0.36 0.00 0.00 54.97 54.79 2o4s s GLU 65 Cb -0.04 -2.84 0.04 0.00 0.26 0.00 0.00 34.13 31.54 2o4s s GLU 65 CO -0.03 0.33 -0.11 0.42 -0.54 0.00 0.00 175.26 175.33 2o4s s ILE 66 N 0.12 1.62 -1.60 -3.70 1.01 0.78 -0.85 121.20 118.58 2o4s s ILE 66 Ca -0.01 -0.89 -0.13 0.00 0.00 0.00 0.00 60.65 59.61 2o4s s ILE 66 Cb -0.14 -1.64 0.11 0.00 0.01 0.00 0.00 42.46 40.79 2o4s s ILE 66 CO 0.03 0.26 0.75 0.00 0.00 0.00 0.00 174.94 175.97 2o4s n GLY 68 N -1.60 2.16 3.62 0.00 0.00 -1.26 -5.00 105.19 103.11 2o4s n GLY 68 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 2o4s n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2o4s s HIS 69 N -3.37 3.27 0.07 1.61 4.02 0.40 -5.05 115.29 116.24 2o4s s HIS 69 Ca 0.00 0.60 -0.30 0.00 1.02 0.00 0.00 55.06 56.38 2o4s s HIS 69 Cb 0.00 -2.68 -0.05 0.00 -1.02 0.00 0.00 32.58 28.83 2o4s s HIS 69 CO 0.00 -0.25 1.11 0.15 1.02 0.00 0.00 174.74 176.77 2o4s s LYS 70 N 2.16 4.51 0.13 1.40 1.02 -1.26 -0.15 119.74 127.56 2o4s s LYS 70 Ca 0.20 1.65 0.04 0.00 0.02 0.00 0.00 55.97 57.88 2o4s s LYS 70 Cb -0.16 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.75 2o4s s LYS 70 CO 0.09 -0.11 -0.10 0.00 -0.92 0.00 0.00 175.35 174.31 2o4s s ALA 71 N 0.73 1.35 -0.15 5.17 0.00 0.38 -4.94 121.76 124.30 2o4s s ALA 71 Ca 0.54 -1.44 -0.04 0.00 0.00 0.00 0.00 51.96 51.02 2o4s s ALA 71 Cb -0.27 0.06 0.06 0.00 0.00 0.00 0.00 23.12 22.98 2o4s s ALA 71 CO 0.30 -0.11 0.14 0.42 0.00 0.00 0.00 175.76 176.51 2o4s s ILE 72 N -3.28 -0.20 0.00 0.00 1.01 -1.26 -1.38 121.20 116.09 2o4s s ILE 72 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.81 2o4s s ILE 72 Cb 0.02 -0.51 0.00 0.00 0.01 0.00 0.00 42.46 41.99 2o4s s ILE 72 CO -0.00 -0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.42 2o4s n GLY 73 N 5.30 1.43 3.71 6.18 0.00 -0.24 -4.79 105.19 116.79 2o4s n GLY 73 Ca -0.06 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 2o4s n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2o4s s THR 74 N -2.49 4.54 -0.11 2.61 2.01 -1.26 -0.70 115.64 120.24 2o4s s THR 74 Ca 0.00 1.85 0.01 0.00 0.31 0.00 0.00 61.69 63.86 2o4s s THR 74 Cb 0.00 -4.18 0.02 0.00 0.01 0.00 0.00 72.50 68.34 2o4s s THR 74 CO 0.00 0.16 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.27 2o4s s VAL 75 N 0.93 1.35 0.22 3.82 1.01 0.11 -4.56 120.40 123.29 2o4s s VAL 75 Ca 0.54 -0.53 -0.13 0.00 0.00 0.00 0.00 61.98 61.85 2o4s s VAL 75 Cb -0.24 -1.27 -0.08 0.00 0.00 0.00 0.00 36.38 34.79 2o4s s VAL 75 CO 0.29 0.42 0.60 -0.76 0.00 0.00 0.00 175.10 175.64 2o4s s LEU 76 N 1.23 4.22 -0.05 3.92 1.43 0.31 -1.26 118.68 128.48 2o4s s LEU 76 Ca -0.02 1.09 0.01 0.00 -1.03 0.00 0.00 54.13 54.18 2o4s s LEU 76 Cb -0.14 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.49 2o4s s LEU 76 CO -0.04 -0.03 -0.07 -0.69 0.23 0.00 0.00 176.35 175.75 2o4s s VAL 77 N -1.70 0.69 -0.18 -1.59 1.01 -0.03 -0.73 120.40 117.87 2o4s s VAL 77 Ca 0.45 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2o4s s VAL 77 Cb -0.13 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.58 2o4s s VAL 77 CO 0.20 0.25 0.00 0.61 0.00 0.00 0.00 175.10 176.16 2o4s n GLY 78 N 3.90 -1.15 2.17 4.51 0.00 -0.75 -0.39 105.19 113.47 2o4s n GLY 78 Ca -0.24 -0.79 -0.07 0.00 0.00 0.00 0.00 46.02 44.92 2o4s n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2o4s n PRO 79 N 0.00 1.19 -2.99 1.61 -0.04 -1.26 -3.50 135.00 130.00 2o4s n PRO 79 Ca 0.00 -0.58 -0.39 0.00 -0.04 0.00 0.00 63.50 62.49 2o4s n PRO 79 Cb 0.00 -1.77 -0.06 0.00 -0.04 0.00 0.00 33.50 31.63 2o4s n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2o4s s THR 80 N 1.72 4.39 0.40 0.52 -1.32 -1.26 -4.98 115.64 115.11 2o4s s THR 80 Ca 0.39 1.67 0.30 0.00 -1.21 0.00 0.00 61.69 62.84 2o4s s THR 80 Cb 0.19 -4.11 0.33 0.00 -1.51 0.00 0.00 72.50 67.39 2o4s s THR 80 CO 0.00 0.50 2.09 -0.65 -2.21 0.00 0.00 174.62 174.35 2o4s h PRO 81 N 4.25 0.00 -3.23 7.08 0.11 -1.99 -3.43 132.00 134.80 2o4s h PRO 81 Ca -0.47 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.49 2o4s h PRO 81 Cb 1.21 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.08 2o4s h PRO 81 CO 0.66 0.09 -0.42 0.14 -0.21 0.00 0.00 178.00 178.26 2o4s s VAL 82 N -4.10 0.04 0.12 3.15 -7.23 -1.26 -5.07 120.40 106.05 2o4s s VAL 82 Ca -0.02 -0.29 -0.31 0.00 -1.81 0.00 0.00 61.98 59.54 2o4s s VAL 82 Cb 0.12 -0.42 -0.09 0.00 0.56 0.00 0.00 36.38 36.56 2o4s s VAL 82 CO 0.56 -0.16 1.51 0.20 -0.31 0.00 0.00 175.10 176.89 2o4s s ASN 83 N -0.59 6.69 -0.11 4.85 0.01 -1.26 -4.70 114.94 119.83 2o4s s ASN 83 Ca -0.07 2.46 0.02 0.00 -0.71 0.00 0.00 52.86 54.56 2o4s s ASN 83 Cb -0.04 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.05 2o4s s ASN 83 CO 0.01 -0.77 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.06 2o4s s ILE 84 N 1.41 1.51 -0.41 0.60 1.01 0.28 -0.31 121.20 125.29 2o4s s ILE 84 Ca 0.68 -0.65 -0.17 0.00 0.00 0.00 0.00 60.65 60.52 2o4s s ILE 84 Cb -0.40 -1.38 0.02 0.00 0.01 0.00 0.00 42.46 40.71 2o4s s ILE 84 CO 0.31 0.44 0.40 -0.63 0.00 0.00 0.00 174.94 175.46 2o4s s ILE 85 N 0.99 5.14 0.68 2.92 -1.09 0.55 -1.44 121.20 128.95 2o4s s ILE 85 Ca -0.06 -0.42 0.01 0.00 -2.23 0.00 0.00 60.65 57.94 2o4s s ILE 85 Cb -0.15 -4.00 0.13 0.00 -1.58 0.00 0.00 42.46 36.86 2o4s s ILE 85 CO -0.02 -0.38 0.93 0.61 -1.23 0.00 0.00 174.94 174.86 2o4s n GLY 86 N 5.12 0.76 0.35 6.18 0.00 -1.21 -0.84 105.19 115.55 2o4s n GLY 86 Ca -0.08 -2.04 0.15 0.00 0.00 0.00 0.00 46.02 44.05 2o4s n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2o4s h ARG 87 N 0.00 0.12 -0.91 1.61 3.08 -0.64 -1.09 114.38 116.55 2o4s h ARG 87 Ca -0.31 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 59.79 2o4s h ARG 87 Cb 1.16 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 31.12 2o4s h ARG 87 CO 0.34 0.08 0.58 -2.95 -1.07 0.00 0.00 179.97 176.95 2o4s h ASN 88 N 0.12 0.93 0.50 7.04 -1.07 -1.76 -0.38 115.58 120.96 2o4s h ASN 88 Ca 0.21 0.01 -0.22 0.00 0.07 0.00 0.00 56.30 56.37 2o4s h ASN 88 Cb 0.67 -0.19 -0.04 0.00 -2.07 0.00 0.00 38.32 36.69 2o4s h ASN 88 CO -0.02 0.61 -1.67 0.18 0.07 0.00 0.00 177.43 176.59 2o4s n LEU 89 N -4.56 0.69 -0.32 6.14 4.77 -0.63 -3.41 117.00 119.69 2o4s n LEU 89 Ca 0.13 0.31 -0.04 0.00 -0.03 0.00 0.00 56.01 56.38 2o4s n LEU 89 Cb 0.16 0.16 0.08 0.00 -2.33 0.00 0.00 43.42 41.49 2o4s n LEU 89 CO 0.32 0.25 1.15 -0.07 -1.33 0.00 0.00 177.39 177.71 2o4s h LEU 90 N 0.00 1.10 -0.70 2.23 3.38 -1.00 -1.78 115.31 118.54 2o4s h LEU 90 Ca -0.24 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.55 2o4s h LEU 90 Cb 1.76 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 42.21 2o4s h LEU 90 CO 0.05 0.89 0.17 0.71 0.09 0.00 0.00 178.44 180.35 2o4s h THR 91 N 1.21 1.26 -0.83 0.22 1.35 -1.20 -1.25 112.91 113.68 2o4s h THR 91 Ca 0.30 -0.97 0.04 0.00 -0.55 0.00 0.00 66.41 65.23 2o4s h THR 91 Cb 0.05 0.55 -0.05 0.00 -1.73 0.00 0.00 68.15 66.98 2o4s h THR 91 CO -0.05 0.37 0.55 -0.61 -0.25 0.00 0.00 175.52 175.54 2o4s h GLN 92 N 1.05 0.99 -0.21 4.72 4.15 -1.37 -2.09 115.11 122.35 2o4s h GLN 92 Ca 0.22 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.58 2o4s h GLN 92 Cb 0.38 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.84 2o4s h GLN 92 CO 0.00 0.65 0.00 0.44 -1.93 0.00 0.00 178.83 178.00 2o4s n ILE 93 N -4.45 0.27 -1.26 2.39 -5.35 -0.80 -4.93 119.36 105.23 2o4s n ILE 93 Ca 0.11 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 2o4s n ILE 93 Cb 0.13 0.36 0.00 0.00 -1.74 0.00 0.00 39.64 38.38 2o4s n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2o4s n GLY 94 N 1.13 0.51 3.73 3.28 0.00 -0.79 -5.03 105.19 108.01 2o4s n GLY 94 Ca 0.15 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 2o4s n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o4s s THR 96 N 0.30 1.19 -0.02 0.00 -4.23 -1.26 -4.63 115.64 106.99 2o4s s THR 96 Ca 0.51 -2.04 -0.13 0.00 -1.18 0.00 0.00 61.69 58.85 2o4s s THR 96 Cb -0.27 -1.83 -0.05 0.00 1.34 0.00 0.00 72.50 71.69 2o4s s THR 96 CO 0.31 -0.73 0.36 -0.76 -0.54 0.00 0.00 174.62 173.27 2o4s s LEU 97 N -3.13 4.46 -0.01 4.79 1.43 -1.26 -5.10 118.68 119.85 2o4s s LEU 97 Ca 0.16 0.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.14 2o4s s LEU 97 Cb 0.02 -2.52 0.02 0.00 0.03 0.00 0.00 46.19 43.74 2o4s s LEU 97 CO 0.01 0.33 -0.00 0.20 0.23 0.00 0.00 176.35 177.12 2o4s s ASN 98 N -1.11 0.25 0.00 2.29 -0.87 -1.26 -5.29 114.94 108.95 2o4s s ASN 98 Ca 0.23 -0.02 0.00 0.00 -1.57 0.00 0.00 52.86 51.50 2o4s s ASN 98 Cb -0.16 -0.10 0.00 0.00 -0.02 0.00 0.00 41.25 40.97 2o4s s ASN 98 CO 0.12 -0.05 0.00 2.22 -2.57 0.00 0.00 177.10 176.82