#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mrw s GLN 2 N 0.00 3.51 -0.18 -0.52 0.74 -1.26 -5.10 119.66 116.84 1mrw s GLN 2 Ca 0.00 -0.60 -0.00 0.00 0.05 0.00 0.00 55.36 54.81 1mrw s GLN 2 Cb 0.00 -2.85 0.01 0.00 1.10 0.00 0.00 33.01 31.27 1mrw s GLN 2 CO 0.00 0.12 -0.15 0.42 -0.55 0.00 0.00 175.29 175.13 1mrw s ILE 3 N 0.63 2.50 0.83 -2.34 1.01 -1.26 -5.12 121.20 117.46 1mrw s ILE 3 Ca -0.04 -0.80 -0.12 0.00 0.00 0.00 0.00 60.65 59.69 1mrw s ILE 3 Cb -0.15 -2.08 0.11 0.00 0.01 0.00 0.00 42.46 40.36 1mrw s ILE 3 CO 0.03 0.51 1.18 0.42 0.00 0.00 0.00 174.94 177.08 1mrw s THR 4 N 1.24 2.05 -0.16 2.92 -4.23 -1.26 -5.03 115.64 111.18 1mrw s THR 4 Ca 0.03 -0.07 0.17 0.00 -1.18 0.00 0.00 61.69 60.63 1mrw s THR 4 Cb -0.14 -2.98 0.34 0.00 1.34 0.00 0.00 72.50 71.06 1mrw s THR 4 CO -0.08 0.00 1.18 0.18 -0.54 0.00 0.00 174.62 175.36 1mrw n LEU 5 N -3.36 2.51 0.26 4.79 4.77 -1.26 -4.66 117.00 120.06 1mrw n LEU 5 Ca 0.10 -3.33 0.13 0.00 -0.03 0.00 0.00 56.01 52.88 1mrw n LEU 5 Cb 0.60 -0.46 0.73 0.00 -2.33 0.00 0.00 43.42 41.96 1mrw n LEU 5 CO 0.52 0.92 0.98 -0.50 -1.33 0.00 0.00 177.39 177.98 1mrw h TRP 6 N 0.34 0.00 -3.78 -1.77 4.06 -2.06 -3.43 115.95 109.31 1mrw h TRP 6 Ca 0.00 0.00 -0.33 0.00 2.06 0.00 0.00 58.89 60.62 1mrw h TRP 6 Cb 1.02 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 29.03 1mrw h TRP 6 CO 0.24 0.11 -0.63 -1.59 -3.56 0.00 0.00 178.44 173.02 1mrw s LYS 7 N -4.14 1.31 0.21 0.49 -2.85 -1.26 -5.11 119.74 108.39 1mrw s LYS 7 Ca -0.03 -1.69 -0.32 0.00 -1.00 0.00 0.00 55.97 52.93 1mrw s LYS 7 Cb 0.13 -0.26 -0.13 0.00 -2.06 0.00 0.00 37.83 35.51 1mrw s LYS 7 CO 0.58 -0.24 1.58 0.54 0.10 0.00 0.00 175.35 177.91 1mrw n ARG 8 N -0.39 2.37 -1.94 1.78 1.74 -1.26 -4.85 116.66 114.11 1mrw n ARG 8 Ca -0.02 0.85 -0.41 0.00 -0.77 0.00 0.00 57.85 57.50 1mrw n ARG 8 Cb 0.65 -2.62 -0.01 0.00 -1.02 0.00 0.00 32.46 29.46 1mrw n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1mrw n PRO 9 N 3.09 2.63 -3.51 5.56 -0.04 -1.26 -4.93 135.00 136.54 1mrw n PRO 9 Ca 0.14 -2.68 -0.37 0.00 -0.04 0.00 0.00 63.50 60.55 1mrw n PRO 9 Cb 0.32 -3.34 -0.06 0.00 -0.04 0.00 0.00 33.50 30.37 1mrw n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mrw s LEU 10 N 3.55 4.35 0.27 1.53 1.43 -1.26 -1.13 118.68 127.42 1mrw s LEU 10 Ca 0.53 0.73 0.02 0.00 -1.03 0.00 0.00 54.13 54.38 1mrw s LEU 10 Cb 0.10 -2.49 -0.05 0.00 0.03 0.00 0.00 46.19 43.78 1mrw s LEU 10 CO 0.02 0.19 0.11 0.68 0.23 0.00 0.00 176.35 177.57 1mrw s VAL 11 N -0.19 0.51 -0.14 -1.59 -7.23 0.21 -4.93 120.40 107.04 1mrw s VAL 11 Ca 0.21 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.24 1mrw s VAL 11 Cb -0.15 -2.61 -0.05 0.00 0.56 0.00 0.00 36.38 34.14 1mrw s VAL 11 CO 0.09 0.00 0.30 -0.89 -0.31 0.00 0.00 175.10 174.28 1mrw s THR 12 N -3.71 5.29 0.34 5.32 2.01 -1.26 -0.81 115.64 122.83 1mrw s THR 12 Ca 0.37 0.56 0.10 0.00 0.31 0.00 0.00 61.69 63.02 1mrw s THR 12 Cb 0.07 -3.63 -0.06 0.00 0.01 0.00 0.00 72.50 68.89 1mrw s THR 12 CO 0.14 0.42 -0.10 0.27 -0.69 0.00 0.00 174.62 174.66 1mrw s ILE 13 N 0.26 2.25 -0.08 1.82 -4.36 0.13 -1.56 121.20 119.65 1mrw s ILE 13 Ca 0.17 -2.22 -0.00 0.00 -0.26 0.00 0.00 60.65 58.34 1mrw s ILE 13 Cb -0.13 -2.63 0.02 0.00 1.25 0.00 0.00 42.46 40.98 1mrw s ILE 13 CO 0.05 -0.21 -0.05 -0.75 0.24 0.00 0.00 174.94 174.21 1mrw s LYS 14 N -3.60 1.15 -0.02 0.37 2.20 0.68 -1.01 119.74 119.50 1mrw s LYS 14 Ca 0.32 -0.13 0.01 0.00 -0.36 0.00 0.00 55.97 55.81 1mrw s LYS 14 Cb 0.02 -1.26 0.01 0.00 -1.51 0.00 0.00 37.83 35.09 1mrw s LYS 14 CO 0.16 -0.22 -0.02 0.42 -0.36 0.00 0.00 175.35 175.34 1mrw s ILE 15 N 1.56 0.22 -1.35 5.43 1.01 -0.57 -1.04 121.20 126.46 1mrw s ILE 15 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 60.65 60.60 1mrw s ILE 15 Cb -0.13 -0.25 0.01 0.00 0.01 0.00 0.00 42.46 42.10 1mrw s ILE 15 CO -0.05 0.11 0.13 0.61 0.00 0.00 0.00 174.94 175.73 1mrw n GLY 16 N 3.52 -0.50 2.45 6.18 0.00 -1.26 -0.84 105.19 114.74 1mrw n GLY 16 Ca -0.19 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1mrw n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mrw n GLY 17 N -0.99 0.54 3.44 -0.02 0.00 -1.26 -5.02 105.19 101.88 1mrw n GLY 17 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1mrw n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mrw s GLN 18 N -0.28 2.58 0.12 1.61 -0.21 -0.02 -5.11 119.66 118.35 1mrw s GLN 18 Ca 0.00 -0.72 -0.24 0.00 0.02 0.00 0.00 55.36 54.42 1mrw s GLN 18 Cb 0.00 -2.37 -0.07 0.00 1.00 0.00 0.00 33.01 31.56 1mrw s GLN 18 CO 0.00 0.56 0.75 -0.51 -2.12 0.00 0.00 175.29 173.97 1mrw s LEU 19 N -0.57 4.55 0.07 2.90 1.02 -1.26 -1.51 118.68 123.88 1mrw s LEU 19 Ca 0.08 1.54 -0.09 0.00 0.02 0.00 0.00 54.13 55.68 1mrw s LEU 19 Cb -0.11 -3.23 0.00 0.00 0.02 0.00 0.00 46.19 42.87 1mrw s LEU 19 CO 0.01 0.17 0.19 -0.54 0.02 0.00 0.00 176.35 176.20 1mrw s LYS 20 N -0.85 0.80 -0.07 1.70 1.02 -0.18 -4.97 119.74 117.19 1mrw s LYS 20 Ca 0.36 -0.86 -0.13 0.00 0.02 0.00 0.00 55.97 55.36 1mrw s LYS 20 Cb -0.22 0.33 -0.05 0.00 -0.52 0.00 0.00 37.83 37.37 1mrw s LYS 20 CO 0.24 -0.25 0.31 -2.00 -0.92 0.00 0.00 175.35 172.74 1mrw s GLU 21 N -3.48 3.87 0.07 1.68 2.12 -1.26 0.18 118.70 121.88 1mrw s GLU 21 Ca 0.02 0.20 -0.05 0.00 0.36 0.00 0.00 54.97 55.50 1mrw s GLU 21 Cb 0.03 -3.26 -0.02 0.00 0.26 0.00 0.00 34.13 31.14 1mrw s GLU 21 CO -0.09 0.60 0.09 0.00 -0.54 0.00 0.00 175.26 175.32 1mrw s ALA 22 N -0.69 0.10 -0.21 6.30 0.00 0.01 -4.37 121.76 122.90 1mrw s ALA 22 Ca 0.20 -0.85 -0.09 0.00 0.00 0.00 0.00 51.96 51.21 1mrw s ALA 22 Cb -0.15 0.37 -0.05 0.00 0.00 0.00 0.00 23.12 23.29 1mrw s ALA 22 CO 0.09 -0.43 0.12 -1.17 0.00 0.00 0.00 175.76 174.37 1mrw s LEU 23 N -2.79 4.01 -0.56 0.00 2.96 0.25 -0.62 118.68 121.93 1mrw s LEU 23 Ca 0.04 0.11 -0.28 0.00 -0.22 0.00 0.00 54.13 53.79 1mrw s LEU 23 Cb 0.05 -2.05 0.02 0.00 0.50 0.00 0.00 46.19 44.72 1mrw s LEU 23 CO -0.10 0.12 1.27 -0.76 -1.32 0.00 0.00 176.35 175.57 1mrw s LEU 24 N 0.69 3.45 -0.45 -0.68 1.43 -0.28 -0.74 118.68 122.10 1mrw s LEU 24 Ca 0.06 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 1mrw s LEU 24 Cb -0.13 -3.17 0.12 0.00 0.03 0.00 0.00 46.19 43.04 1mrw s LEU 24 CO 0.01 -1.54 0.21 -0.62 0.23 0.00 0.00 176.35 174.65 1mrw s ASP 25 N 3.45 4.97 0.13 2.29 -1.08 -0.61 -4.79 116.67 121.04 1mrw s ASP 25 Ca 0.47 -2.37 0.17 0.00 -0.52 0.00 0.00 52.55 50.30 1mrw s ASP 25 Cb -0.09 -1.75 0.76 0.00 -1.46 0.00 0.00 42.92 40.38 1mrw s ASP 25 CO 0.26 -0.42 1.54 0.35 0.52 0.00 0.00 175.17 177.42 1mrw n THR 26 N 4.06 1.03 1.34 1.71 -2.24 -1.26 -2.11 114.28 116.81 1mrw n THR 26 Ca 0.03 0.31 0.13 0.00 -2.27 0.00 0.00 64.05 62.25 1mrw n THR 26 Cb 0.39 -1.18 0.43 0.00 -2.10 0.00 0.00 70.33 67.87 1mrw n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mrw n GLY 27 N -0.27 -0.31 3.54 3.38 0.00 -1.26 -4.84 105.19 105.43 1mrw n GLY 27 Ca 0.02 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 1mrw n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mrw s ALA 28 N -2.28 3.20 0.25 4.61 0.00 -0.90 -4.99 121.76 121.65 1mrw s ALA 28 Ca 0.30 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.44 1mrw s ALA 28 Cb 0.20 -1.82 0.28 0.00 0.00 0.00 0.00 23.12 21.77 1mrw s ALA 28 CO 0.44 0.03 1.58 -0.44 0.00 0.00 0.00 175.76 177.37 1mrw h ASP 29 N 7.07 0.25 -0.98 0.00 3.32 -1.88 0.12 116.42 124.32 1mrw h ASP 29 Ca -0.35 -0.14 -0.64 0.00 0.02 0.00 0.00 57.03 55.92 1mrw h ASP 29 Cb 1.18 -0.07 -0.11 0.00 0.22 0.00 0.00 39.33 40.54 1mrw h ASP 29 CO 0.65 0.78 -0.52 -1.81 -1.72 0.00 0.00 179.24 176.62 1mrw s ASP 30 N -6.89 4.15 -0.22 6.45 1.01 -1.26 -2.62 116.67 117.29 1mrw s ASP 30 Ca -0.04 -1.43 -0.07 0.00 0.71 0.00 0.00 52.55 51.72 1mrw s ASP 30 Cb 0.12 0.07 -0.03 0.00 1.01 0.00 0.00 42.92 44.09 1mrw s ASP 30 CO 0.79 -0.71 0.06 -0.89 0.21 0.00 0.00 175.17 174.64 1mrw s THR 31 N -2.77 4.42 -0.14 -1.27 2.01 -1.26 -2.36 115.64 114.27 1mrw s THR 31 Ca 0.23 -0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.10 1mrw s THR 31 Cb 0.04 -3.03 0.02 0.00 0.01 0.00 0.00 72.50 69.53 1mrw s THR 31 CO 0.13 0.39 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.58 1mrw s VAL 32 N 1.12 1.76 0.07 3.82 1.01 -0.05 -0.60 120.40 127.53 1mrw s VAL 32 Ca 0.04 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.32 1mrw s VAL 32 Cb -0.14 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1mrw s VAL 32 CO 0.03 0.49 -0.14 -0.63 0.00 0.00 0.00 175.10 174.85 1mrw s ILE 33 N 1.14 3.06 0.71 2.22 -1.09 0.76 0.28 121.20 128.28 1mrw s ILE 33 Ca -0.01 -1.24 -0.15 0.00 -2.23 0.00 0.00 60.65 57.02 1mrw s ILE 33 Cb -0.14 -2.37 0.03 0.00 -1.58 0.00 0.00 42.46 38.40 1mrw s ILE 33 CO -0.06 0.22 1.15 -1.61 -1.23 0.00 0.00 174.94 173.41 1mrw s GLU 34 N -1.83 2.42 -0.12 2.79 2.02 -1.26 -2.40 118.70 120.31 1mrw s GLU 34 Ca 0.18 1.54 -0.40 0.00 0.02 0.00 0.00 54.97 56.30 1mrw s GLU 34 Cb -0.11 -1.89 -0.19 0.00 0.10 0.00 0.00 34.13 32.04 1mrw s GLU 34 CO 0.09 -1.58 1.16 -1.91 0.02 0.00 0.00 175.26 173.05 1mrw n GLU 35 N -2.68 0.00 -3.68 1.61 4.07 -1.26 -4.78 120.64 113.92 1mrw n GLU 35 Ca 0.12 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.17 1mrw n GLU 35 Cb 0.51 -1.45 -0.01 0.00 -0.06 0.00 0.00 31.44 30.43 1mrw n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1mrw s MET 36 N 0.73 1.03 -0.23 5.31 0.23 -1.26 -5.09 119.30 120.02 1mrw s MET 36 Ca 0.91 -0.53 -0.20 0.00 -1.03 0.00 0.00 55.69 54.85 1mrw s MET 36 Cb -1.28 0.38 -0.02 0.00 -1.53 0.00 0.00 34.83 32.37 1mrw s MET 36 CO 0.61 -0.47 0.58 -1.12 -2.03 0.00 0.00 175.02 172.59 1mrw s SER 37 N -2.82 6.57 0.10 -1.18 0.01 -1.26 -5.06 113.70 110.06 1mrw s SER 37 Ca 0.10 0.69 0.10 0.00 1.31 0.00 0.00 55.95 58.15 1mrw s SER 37 Cb -0.01 -2.32 -0.03 0.00 0.21 0.00 0.00 66.02 63.87 1mrw s SER 37 CO -0.01 -0.29 -0.25 -0.76 0.41 0.00 0.00 173.24 172.34 1mrw s LEU 38 N 2.16 2.27 0.69 2.44 1.43 -1.26 -4.99 118.68 121.43 1mrw s LEU 38 Ca 0.25 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.56 1mrw s LEU 38 Cb -0.16 -1.12 0.01 0.00 0.03 0.00 0.00 46.19 44.95 1mrw s LEU 38 CO 0.09 0.16 1.07 -2.84 0.23 0.00 0.00 176.35 175.06 1mrw s PRO 39 N -1.76 2.88 0.01 1.29 0.02 -1.26 -4.96 135.00 131.22 1mrw s PRO 39 Ca 0.11 1.03 0.00 0.00 0.02 0.00 0.00 61.00 62.16 1mrw s PRO 39 Cb -0.10 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.44 1mrw s PRO 39 CO 0.04 -1.15 0.00 0.41 -0.33 0.00 0.00 177.00 175.97 1mrw n GLY 40 N -1.70 -2.40 3.87 0.52 0.00 -1.26 -4.95 105.19 99.27 1mrw n GLY 40 Ca 0.08 -1.58 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 1mrw n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mrw s ARG 41 N -0.99 3.71 0.21 1.61 0.52 -1.26 -5.09 118.95 117.66 1mrw s ARG 41 Ca 0.00 0.62 0.08 0.00 -0.52 0.00 0.00 55.73 55.91 1mrw s ARG 41 Cb 0.00 -2.22 -0.05 0.00 0.52 0.00 0.00 34.95 33.20 1mrw s ARG 41 CO 0.00 -0.30 -0.15 1.67 0.02 0.00 0.00 175.30 176.54 1mrw s TRP 42 N -2.78 1.75 0.19 -0.53 1.48 -1.26 -4.68 118.94 113.12 1mrw s TRP 42 Ca 0.54 -0.56 0.10 0.00 -1.06 0.00 0.00 56.10 55.12 1mrw s TRP 42 Cb -0.10 -0.81 -0.04 0.00 -1.16 0.00 0.00 33.47 31.35 1mrw s TRP 42 CO 0.42 0.38 -0.22 0.15 -4.06 0.00 0.00 176.95 173.62 1mrw s LYS 43 N -3.64 1.44 0.49 3.25 1.02 -0.44 -4.90 119.74 116.97 1mrw s LYS 43 Ca 0.23 -1.50 -0.20 0.00 0.02 0.00 0.00 55.97 54.53 1mrw s LYS 43 Cb -0.01 -1.66 -0.08 0.00 -0.52 0.00 0.00 37.83 35.56 1mrw s LYS 43 CO 0.07 0.35 1.03 -1.25 -0.92 0.00 0.00 175.35 174.63 1mrw s PRO 44 N -2.75 3.80 -0.24 -1.68 0.04 -1.26 -0.38 135.00 132.53 1mrw s PRO 44 Ca 0.19 1.29 -0.21 0.00 0.04 0.00 0.00 61.00 62.32 1mrw s PRO 44 Cb -0.07 -2.10 0.06 0.00 0.04 0.00 0.00 34.50 32.43 1mrw s PRO 44 CO 0.09 -0.42 0.63 0.21 0.04 0.00 0.00 177.00 177.55 1mrw s LYS 45 N -3.36 0.72 -0.19 4.56 2.47 -1.07 -4.83 119.74 118.04 1mrw s LYS 45 Ca 0.66 0.92 -0.04 0.00 -1.56 0.00 0.00 55.97 55.95 1mrw s LYS 45 Cb -0.15 0.32 -0.02 0.00 -1.46 0.00 0.00 37.83 36.52 1mrw s LYS 45 CO 0.22 -0.10 -0.03 -1.64 0.16 0.00 0.00 175.35 173.96 1mrw s MET 46 N 0.54 3.53 -0.02 4.03 -1.94 -1.26 -1.19 119.30 122.98 1mrw s MET 46 Ca -0.02 -0.57 0.07 0.00 -1.71 0.00 0.00 55.69 53.46 1mrw s MET 46 Cb -0.05 -2.99 -0.02 0.00 2.01 0.00 0.00 34.83 33.79 1mrw s MET 46 CO -0.02 -0.00 -0.23 0.96 -0.01 0.00 0.00 175.02 175.72 1mrw s ILE 47 N 1.00 1.82 -0.24 2.53 -4.36 -0.95 -4.94 121.20 116.07 1mrw s ILE 47 Ca 0.01 -0.98 -0.09 0.00 -0.26 0.00 0.00 60.65 59.33 1mrw s ILE 47 Cb -0.15 -1.52 -0.04 0.00 1.25 0.00 0.00 42.46 42.00 1mrw s ILE 47 CO 0.01 0.51 0.12 -0.83 0.24 0.00 0.00 174.94 174.99 1mrw s GLY 48 N -0.46 1.90 0.00 6.27 0.00 -1.26 -1.44 107.32 112.32 1mrw s GLY 48 Ca 0.07 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.83 1mrw s GLY 48 CO -0.00 0.39 0.00 0.61 0.00 0.00 0.00 173.10 174.10 1mrw n GLY 49 N 4.41 4.47 0.36 0.20 0.00 0.83 -4.94 105.19 110.52 1mrw n GLY 49 Ca -0.15 -2.14 0.15 0.00 0.00 0.00 0.00 46.02 43.88 1mrw n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1mrw h ILE 50 N 0.50 0.82 -0.15 -0.61 6.09 -2.02 -2.34 117.51 119.80 1mrw h ILE 50 Ca 0.00 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.40 1mrw h ILE 50 Cb 0.00 0.55 0.00 0.00 0.47 0.00 0.00 36.82 37.84 1mrw h ILE 50 CO 0.00 0.05 0.00 0.61 -3.07 0.00 0.00 178.15 175.74 1mrw n GLY 51 N -1.56 0.92 0.00 8.18 0.00 -1.26 -5.09 105.19 106.38 1mrw n GLY 51 Ca 0.10 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1mrw n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mrw n GLY 52 N 1.08 0.73 3.86 -0.02 0.00 -0.88 -5.09 105.19 104.87 1mrw n GLY 52 Ca 0.13 -2.06 -0.34 0.00 0.00 0.00 0.00 46.02 43.74 1mrw n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mrw s PHE 53 N -1.23 3.57 0.22 1.61 0.40 -1.26 -0.12 117.98 121.17 1mrw s PHE 53 Ca 0.00 0.84 0.01 0.00 -0.60 0.00 0.00 56.93 57.18 1mrw s PHE 53 Cb 0.00 -2.21 -0.05 0.00 0.51 0.00 0.00 43.02 41.28 1mrw s PHE 53 CO 0.00 0.47 0.07 0.96 0.70 0.00 0.00 175.22 177.42 1mrw s ILE 54 N -1.47 0.50 -0.17 0.64 -4.36 -0.52 -4.96 121.20 110.85 1mrw s ILE 54 Ca 0.36 -1.99 -0.07 0.00 -0.26 0.00 0.00 60.65 58.68 1mrw s ILE 54 Cb -0.14 -2.45 -0.04 0.00 1.25 0.00 0.00 42.46 41.08 1mrw s ILE 54 CO 0.19 -0.15 0.07 -0.54 0.24 0.00 0.00 174.94 174.75 1mrw s LYS 55 N -4.02 3.91 0.23 0.37 1.02 -1.26 -2.23 119.74 117.76 1mrw s LYS 55 Ca 0.34 -0.31 0.03 0.00 0.02 0.00 0.00 55.97 56.04 1mrw s LYS 55 Cb 0.07 -3.22 -0.05 0.00 -0.52 0.00 0.00 37.83 34.12 1mrw s LYS 55 CO 0.10 0.34 0.03 0.14 -0.92 0.00 0.00 175.35 175.04 1mrw s VAL 56 N 0.19 0.86 -0.19 3.17 -7.23 -0.33 -4.74 120.40 112.12 1mrw s VAL 56 Ca 0.05 -2.01 -0.10 0.00 -1.81 0.00 0.00 61.98 58.11 1mrw s VAL 56 Cb -0.12 -2.40 -0.05 0.00 0.56 0.00 0.00 36.38 34.37 1mrw s VAL 56 CO 0.00 -0.26 0.15 -0.13 -0.31 0.00 0.00 175.10 174.55 1mrw s ARG 57 N -3.92 4.17 -0.25 4.82 0.52 0.07 -2.58 118.95 121.79 1mrw s ARG 57 Ca 0.30 -0.18 -0.09 0.00 -0.52 0.00 0.00 55.73 55.24 1mrw s ARG 57 Cb 0.06 -3.41 -0.04 0.00 0.52 0.00 0.00 34.95 32.08 1mrw s ARG 57 CO 0.09 0.31 0.12 -1.14 0.02 0.00 0.00 175.30 174.71 1mrw s GLN 58 N 0.32 3.86 -0.14 3.54 0.74 0.49 -0.36 119.66 128.11 1mrw s GLN 58 Ca 0.09 -0.38 0.00 0.00 0.05 0.00 0.00 55.36 55.13 1mrw s GLN 58 Cb -0.11 -3.45 -0.01 0.00 1.10 0.00 0.00 33.01 30.54 1mrw s GLN 58 CO -0.01 -0.08 -0.15 0.71 -0.55 0.00 0.00 175.29 175.21 1mrw s TYR 59 N 1.40 2.77 0.27 1.67 1.51 -0.32 -1.33 117.35 123.32 1mrw s TYR 59 Ca 0.06 -0.89 0.04 0.00 -1.01 0.00 0.00 57.07 55.27 1mrw s TYR 59 Cb -0.15 -1.86 -0.03 0.00 -0.11 0.00 0.00 41.96 39.81 1mrw s TYR 59 CO 0.06 -0.37 0.41 -0.51 -1.11 0.00 0.00 175.55 174.03 1mrw s ASP 60 N 0.60 6.32 -1.52 2.29 1.01 -1.26 -0.86 116.67 123.24 1mrw s ASP 60 Ca -0.09 0.18 -0.09 0.00 0.71 0.00 0.00 52.55 53.27 1mrw s ASP 60 Cb -0.16 -1.91 0.07 0.00 1.01 0.00 0.00 42.92 41.93 1mrw s ASP 60 CO 0.03 -0.13 0.67 0.00 0.21 0.00 0.00 175.17 175.95 1mrw n GLN 61 N -1.47 -3.79 -3.10 8.23 6.02 -1.09 -4.88 117.38 117.30 1mrw n GLN 61 Ca -0.08 0.45 -0.39 0.00 -0.01 0.00 0.00 57.00 56.97 1mrw n GLN 61 Cb 0.57 -4.95 -0.06 0.00 1.02 0.00 0.00 30.24 26.83 1mrw n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1mrw s ILE 62 N -3.59 4.73 -0.09 5.09 -1.09 0.11 -4.63 121.20 121.72 1mrw s ILE 62 Ca 0.37 1.45 -0.26 0.00 -2.23 0.00 0.00 60.65 59.99 1mrw s ILE 62 Cb -0.20 -4.02 -0.03 0.00 -1.58 0.00 0.00 42.46 36.63 1mrw s ILE 62 CO 0.89 0.44 0.82 -0.63 -1.23 0.00 0.00 174.94 175.23 1mrw s ILE 63 N -0.46 4.93 -0.11 2.92 1.01 -1.26 -1.10 121.20 127.13 1mrw s ILE 63 Ca 0.34 1.67 -0.09 0.00 0.00 0.00 0.00 60.65 62.58 1mrw s ILE 63 Cb -0.20 -4.15 0.03 0.00 0.01 0.00 0.00 42.46 38.15 1mrw s ILE 63 CO 0.21 0.13 0.29 -0.51 0.00 0.00 0.00 174.94 175.06 1mrw s ILE 64 N 1.43 -0.01 -0.16 2.92 2.07 0.33 -4.40 121.20 123.38 1mrw s ILE 64 Ca 0.41 0.04 -0.05 0.00 -1.41 0.00 0.00 60.65 59.64 1mrw s ILE 64 Cb -0.18 -0.41 -0.03 0.00 0.13 0.00 0.00 42.46 41.97 1mrw s ILE 64 CO 0.18 0.01 -0.02 -0.70 -1.91 0.00 0.00 174.94 172.51 1mrw s GLU 65 N 0.45 3.72 -0.24 3.50 2.12 -0.21 0.34 118.70 128.38 1mrw s GLU 65 Ca -0.02 -0.49 0.00 0.00 0.36 0.00 0.00 54.97 54.82 1mrw s GLU 65 Cb -0.04 -2.99 0.04 0.00 0.26 0.00 0.00 34.13 31.40 1mrw s GLU 65 CO -0.02 0.23 -0.10 0.42 -0.54 0.00 0.00 175.26 175.25 1mrw s ILE 66 N 0.42 2.55 -1.68 -3.70 -1.09 0.20 -0.23 121.20 117.66 1mrw s ILE 66 Ca -0.02 -1.19 -0.19 0.00 -2.23 0.00 0.00 60.65 57.02 1mrw s ILE 66 Cb -0.14 -2.32 0.16 0.00 -1.58 0.00 0.00 42.46 38.58 1mrw s ILE 66 CO 0.02 0.18 0.76 0.00 -1.23 0.00 0.00 174.94 174.68 1mrw n GLY 68 N -1.34 2.17 3.66 0.00 0.00 -1.26 -5.04 105.19 103.38 1mrw n GLY 68 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1mrw n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1mrw s HIS 69 N -2.33 3.36 0.10 1.61 3.76 0.16 -5.05 115.29 116.90 1mrw s HIS 69 Ca 0.00 0.66 -0.27 0.00 -0.15 0.00 0.00 55.06 55.30 1mrw s HIS 69 Cb 0.00 -2.58 -0.06 0.00 1.11 0.00 0.00 32.58 31.04 1mrw s HIS 69 CO 0.00 -0.06 0.86 0.15 -0.85 0.00 0.00 174.74 174.84 1mrw s LYS 70 N 1.48 4.61 0.07 1.40 1.02 -1.26 0.60 119.74 127.66 1mrw s LYS 70 Ca 0.21 1.26 0.01 0.00 0.02 0.00 0.00 55.97 57.47 1mrw s LYS 70 Cb -0.15 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.77 1mrw s LYS 70 CO 0.09 0.30 -0.06 0.00 -0.92 0.00 0.00 175.35 174.75 1mrw s ALA 71 N -0.21 0.76 -0.15 5.17 0.00 0.15 -4.93 121.76 122.56 1mrw s ALA 71 Ca 0.42 -1.15 -0.04 0.00 0.00 0.00 0.00 51.96 51.19 1mrw s ALA 71 Cb -0.22 0.15 0.05 0.00 0.00 0.00 0.00 23.12 23.10 1mrw s ALA 71 CO 0.27 -0.20 0.07 0.42 0.00 0.00 0.00 175.76 176.32 1mrw s ILE 72 N -3.01 0.04 0.00 0.00 1.01 -1.26 -0.51 121.20 117.46 1mrw s ILE 72 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.59 1mrw s ILE 72 Cb 0.01 -0.57 0.00 0.00 0.01 0.00 0.00 42.46 41.91 1mrw s ILE 72 CO -0.04 -0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.35 1mrw n GLY 73 N 5.24 1.73 3.72 6.18 0.00 -0.26 -4.78 105.19 117.02 1mrw n GLY 73 Ca -0.07 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 1mrw n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mrw s THR 74 N -2.50 4.21 -0.06 2.61 2.01 -1.26 0.08 115.64 120.73 1mrw s THR 74 Ca 0.00 1.71 0.02 0.00 0.31 0.00 0.00 61.69 63.73 1mrw s THR 74 Cb 0.00 -4.09 0.02 0.00 0.01 0.00 0.00 72.50 68.43 1mrw s THR 74 CO 0.00 0.20 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.34 1mrw s VAL 75 N 0.50 0.93 -0.03 3.82 1.01 -0.04 -4.54 120.40 122.04 1mrw s VAL 75 Ca 0.53 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 1mrw s VAL 75 Cb -0.27 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1mrw s VAL 75 CO 0.31 0.31 0.12 -0.76 0.00 0.00 0.00 175.10 175.08 1mrw s LEU 76 N 0.72 4.12 -0.09 3.92 1.43 0.23 -1.18 118.68 127.84 1mrw s LEU 76 Ca -0.13 0.27 0.03 0.00 -1.03 0.00 0.00 54.13 53.27 1mrw s LEU 76 Cb -0.15 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.75 1mrw s LEU 76 CO 0.03 0.30 -0.20 -0.69 0.23 0.00 0.00 176.35 176.02 1mrw s VAL 77 N -1.19 1.70 -0.86 -1.59 1.01 0.51 -0.17 120.40 119.81 1mrw s VAL 77 Ca 0.22 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1mrw s VAL 77 Cb -0.12 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.77 1mrw s VAL 77 CO 0.13 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.32 1mrw n GLY 78 N 3.61 -1.28 3.55 4.51 0.00 -1.01 -0.75 105.19 113.82 1mrw n GLY 78 Ca -0.20 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.56 1mrw n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mrw s PRO 79 N -0.53 2.69 0.05 1.61 0.04 -1.26 -4.16 135.00 133.44 1mrw s PRO 79 Ca 0.00 0.26 0.07 0.00 0.04 0.00 0.00 61.00 61.37 1mrw s PRO 79 Cb 0.00 -4.56 -0.03 0.00 0.04 0.00 0.00 34.50 29.95 1mrw s PRO 79 CO 0.00 -2.82 -0.20 -0.08 0.04 0.00 0.00 177.00 173.94 1mrw s THR 80 N 8.88 1.60 0.46 1.26 -1.32 -1.26 -5.03 115.64 120.23 1mrw s THR 80 Ca 0.64 -1.24 0.14 0.00 -1.21 0.00 0.00 61.69 60.02 1mrw s THR 80 Cb -0.10 -1.41 0.21 0.00 -1.51 0.00 0.00 72.50 69.68 1mrw s THR 80 CO 0.14 0.13 2.03 1.55 -2.21 0.00 0.00 174.62 176.26 1mrw h PRO 81 N 4.73 0.05 -3.34 7.08 0.13 -1.98 -3.45 132.00 135.22 1mrw h PRO 81 Ca -0.43 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.68 1mrw h PRO 81 Cb 1.17 -0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.19 1mrw h PRO 81 CO 0.43 0.16 0.02 0.14 -0.23 0.00 0.00 178.00 178.52 1mrw s VAL 82 N -4.80 0.02 0.02 1.56 -7.23 -1.26 -5.12 120.40 103.59 1mrw s VAL 82 Ca -0.05 -0.89 -0.30 0.00 -1.81 0.00 0.00 61.98 58.93 1mrw s VAL 82 Cb 0.16 -1.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.36 1mrw s VAL 82 CO 0.70 -0.10 1.34 0.20 -0.31 0.00 0.00 175.10 176.92 1mrw s ASN 83 N -2.90 6.91 -0.19 4.85 0.01 -1.26 -4.78 114.94 117.58 1mrw s ASN 83 Ca 0.11 2.08 -0.03 0.00 -0.71 0.00 0.00 52.86 54.31 1mrw s ASN 83 Cb -0.01 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.07 1mrw s ASN 83 CO -0.01 -0.65 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.25 1mrw s ILE 84 N 2.00 3.44 -0.51 0.60 1.01 0.14 -0.58 121.20 127.30 1mrw s ILE 84 Ca 0.62 -0.49 -0.15 0.00 0.00 0.00 0.00 60.65 60.63 1mrw s ILE 84 Cb -0.31 -2.54 0.11 0.00 0.01 0.00 0.00 42.46 39.74 1mrw s ILE 84 CO 0.27 0.45 0.46 -0.63 0.00 0.00 0.00 174.94 175.48 1mrw s ILE 85 N 1.09 5.10 0.56 2.92 -1.09 0.08 -0.87 121.20 128.99 1mrw s ILE 85 Ca 0.01 -1.42 -0.06 0.00 -2.23 0.00 0.00 60.65 56.95 1mrw s ILE 85 Cb -0.15 -4.22 0.12 0.00 -1.58 0.00 0.00 42.46 36.64 1mrw s ILE 85 CO -0.00 -0.78 0.76 0.61 -1.23 0.00 0.00 174.94 174.29 1mrw n GLY 86 N 5.20 -0.51 0.37 6.18 0.00 -1.00 -1.57 105.19 113.86 1mrw n GLY 86 Ca -0.13 -1.82 0.10 0.00 0.00 0.00 0.00 46.02 44.16 1mrw n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1mrw h ARG 87 N 0.00 0.74 -0.77 1.61 3.08 -0.80 -1.56 114.38 116.68 1mrw h ARG 87 Ca -0.25 -0.04 0.15 0.00 0.07 0.00 0.00 59.98 59.91 1mrw h ARG 87 Cb 0.77 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 30.60 1mrw h ARG 87 CO 0.21 0.49 0.51 -2.95 -1.07 0.00 0.00 179.97 177.16 1mrw h ASN 88 N 0.76 0.42 0.07 7.04 -1.07 -1.77 -1.33 115.58 119.71 1mrw h ASN 88 Ca 0.41 0.02 -0.36 0.00 0.07 0.00 0.00 56.30 56.45 1mrw h ASN 88 Cb 0.55 -0.06 -0.07 0.00 -2.07 0.00 0.00 38.32 36.67 1mrw h ASN 88 CO -0.18 0.21 -2.30 0.18 0.07 0.00 0.00 177.43 175.42 1mrw n LEU 89 N -4.49 0.70 -0.36 6.14 4.77 -0.90 -3.88 117.00 118.99 1mrw n LEU 89 Ca 0.15 0.04 0.01 0.00 -0.03 0.00 0.00 56.01 56.18 1mrw n LEU 89 Cb 0.52 0.17 0.16 0.00 -2.33 0.00 0.00 43.42 41.94 1mrw n LEU 89 CO 0.32 0.57 1.25 -0.07 -1.33 0.00 0.00 177.39 178.14 1mrw h LEU 90 N 0.00 1.01 -0.99 2.23 3.38 -0.99 0.15 115.31 120.10 1mrw h LEU 90 Ca -0.51 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.40 1mrw h LEU 90 Cb 2.15 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.67 1mrw h LEU 90 CO 0.02 0.66 0.06 0.71 0.09 0.00 0.00 178.44 179.98 1mrw h THR 91 N 1.16 1.23 -0.51 0.22 1.35 -1.43 -0.09 112.91 114.85 1mrw h THR 91 Ca 0.41 -0.90 -0.02 0.00 -0.55 0.00 0.00 66.41 65.35 1mrw h THR 91 Cb 0.11 0.78 -0.02 0.00 -1.73 0.00 0.00 68.15 67.29 1mrw h THR 91 CO -0.16 0.32 0.23 1.56 -0.25 0.00 0.00 175.52 177.23 1mrw h GLN 92 N 0.75 0.72 -0.49 4.72 4.20 -1.10 -1.47 115.11 122.43 1mrw h GLN 92 Ca 0.16 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1mrw h GLN 92 Cb 0.37 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1mrw h GLN 92 CO 0.01 0.57 0.00 0.44 -0.67 0.00 0.00 178.83 179.18 1mrw n ILE 93 N -4.37 0.74 -2.23 2.54 -5.35 -0.82 -4.92 119.36 104.95 1mrw n ILE 93 Ca 0.04 -0.65 -0.10 0.00 -0.27 0.00 0.00 62.75 61.77 1mrw n ILE 93 Cb 0.13 0.23 -0.00 0.00 -1.74 0.00 0.00 39.64 38.26 1mrw n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mrw n GLY 94 N 1.14 -0.04 3.72 3.28 0.00 -0.55 -5.00 105.19 107.74 1mrw n GLY 94 Ca 0.16 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 1mrw n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mrw s THR 96 N 0.47 0.88 -0.04 0.00 -4.23 -1.26 -4.58 115.64 106.88 1mrw s THR 96 Ca 0.47 -2.01 -0.06 0.00 -1.18 0.00 0.00 61.69 58.91 1mrw s THR 96 Cb -0.21 -2.07 -0.04 0.00 1.34 0.00 0.00 72.50 71.52 1mrw s THR 96 CO 0.27 -0.54 0.20 -0.76 -0.54 0.00 0.00 174.62 173.25 1mrw s LEU 97 N -3.19 4.38 -0.08 4.79 1.43 -1.26 -5.10 118.68 119.66 1mrw s LEU 97 Ca 0.22 0.46 -0.06 0.00 -1.03 0.00 0.00 54.13 53.73 1mrw s LEU 97 Cb 0.05 -2.45 0.02 0.00 0.03 0.00 0.00 46.19 43.84 1mrw s LEU 97 CO 0.03 0.31 0.19 0.20 0.23 0.00 0.00 176.35 177.32 1mrw s ASN 98 N -1.55 -0.20 0.00 2.29 -0.87 -1.26 -5.28 114.94 108.07 1mrw s ASN 98 Ca 0.23 0.39 0.00 0.00 -1.57 0.00 0.00 52.86 51.92 1mrw s ASN 98 Cb -0.13 0.37 0.00 0.00 -0.02 0.00 0.00 41.25 41.48 1mrw s ASN 98 CO 0.13 -0.09 0.00 2.22 -2.57 0.00 0.00 177.10 176.79