#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2idw s GLN 2 N 0.00 3.24 -0.15 -0.52 0.74 -1.26 -5.11 119.66 116.60 2idw s GLN 2 Ca 0.00 -0.77 -0.00 0.00 0.05 0.00 0.00 55.36 54.64 2idw s GLN 2 Cb 0.00 -2.49 -0.01 0.00 1.10 0.00 0.00 33.01 31.61 2idw s GLN 2 CO 0.00 0.19 -0.13 0.42 -0.55 0.00 0.00 175.29 175.22 2idw s ILE 3 N 0.36 2.94 0.51 -2.34 1.01 -1.26 -5.10 121.20 117.32 2idw s ILE 3 Ca -0.14 -0.69 -0.23 0.00 0.00 0.00 0.00 60.65 59.59 2idw s ILE 3 Cb -0.17 -2.24 -0.06 0.00 0.01 0.00 0.00 42.46 40.00 2idw s ILE 3 CO 0.07 0.51 1.37 0.28 0.00 0.00 0.00 174.94 177.17 2idw s THR 4 N 0.61 2.12 -0.86 2.92 -1.32 -1.26 -5.00 115.64 112.85 2idw s THR 4 Ca -0.08 0.10 0.12 0.00 -1.21 0.00 0.00 61.69 60.62 2idw s THR 4 Cb -0.16 -3.05 0.34 0.00 -1.51 0.00 0.00 72.50 68.12 2idw s THR 4 CO 0.03 0.00 1.28 0.18 -2.21 0.00 0.00 174.62 173.91 2idw n LEU 5 N -0.72 3.08 -0.03 9.08 4.77 -1.26 -4.46 117.00 127.45 2idw n LEU 5 Ca 0.08 -2.12 0.05 0.00 -0.03 0.00 0.00 56.01 53.99 2idw n LEU 5 Cb 0.44 -0.28 0.42 0.00 -2.33 0.00 0.00 43.42 41.67 2idw n LEU 5 CO 0.55 0.73 1.17 -0.50 -1.33 0.00 0.00 177.39 178.01 2idw h TRP 6 N 2.06 0.55 -1.93 -1.77 -0.00 -2.06 -3.43 115.95 109.37 2idw h TRP 6 Ca 0.00 0.01 -0.60 0.00 -0.00 0.00 0.00 58.89 58.30 2idw h TRP 6 Cb 0.83 -0.19 -0.13 0.00 -0.00 0.00 0.00 29.16 29.67 2idw h TRP 6 CO 0.27 0.33 -0.63 0.15 -0.00 0.00 0.00 178.44 178.57 2idw s LYS 7 N -5.52 1.86 0.29 0.49 1.02 -1.26 -5.11 119.74 111.51 2idw s LYS 7 Ca -0.08 -2.01 -0.30 0.00 0.02 0.00 0.00 55.97 53.59 2idw s LYS 7 Cb 0.18 -1.56 -0.12 0.00 -0.52 0.00 0.00 37.83 35.81 2idw s LYS 7 CO 0.74 0.01 1.52 0.54 -0.92 0.00 0.00 175.35 177.23 2idw n ARG 8 N -0.86 2.49 -1.79 1.68 1.74 -1.26 -4.85 116.66 113.81 2idw n ARG 8 Ca -0.05 0.88 -0.42 0.00 -0.77 0.00 0.00 57.85 57.50 2idw n ARG 8 Cb 0.66 -2.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.48 2idw n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2idw n PRO 9 N 1.83 2.95 -3.26 5.56 -0.04 -1.26 -4.94 135.00 135.84 2idw n PRO 9 Ca 0.08 -2.70 -0.39 0.00 -0.04 0.00 0.00 63.50 60.46 2idw n PRO 9 Cb 0.36 -3.24 -0.06 0.00 -0.04 0.00 0.00 33.50 30.52 2idw n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2idw s LEU 10 N 1.90 4.42 0.17 1.53 1.43 -1.26 -1.20 118.68 125.66 2idw s LEU 10 Ca 0.47 1.10 0.04 0.00 -1.03 0.00 0.00 54.13 54.71 2idw s LEU 10 Cb 0.14 -2.85 -0.05 0.00 0.03 0.00 0.00 46.19 43.46 2idw s LEU 10 CO -0.08 0.13 -0.07 0.68 0.23 0.00 0.00 176.35 177.24 2idw s VAL 11 N -0.28 1.12 0.06 -1.59 -7.23 -0.31 -4.92 120.40 107.26 2idw s VAL 11 Ca 0.29 -2.05 -0.27 0.00 -1.81 0.00 0.00 61.98 58.14 2idw s VAL 11 Cb -0.18 -2.01 -0.05 0.00 0.56 0.00 0.00 36.38 34.70 2idw s VAL 11 CO 0.16 -0.61 0.84 -0.89 -0.31 0.00 0.00 175.10 174.29 2idw s THR 12 N -3.36 4.66 0.25 5.32 2.01 -1.26 -1.07 115.64 122.19 2idw s THR 12 Ca 0.21 1.79 0.10 0.00 0.31 0.00 0.00 61.69 64.10 2idw s THR 12 Cb 0.04 -4.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 2idw s THR 12 CO 0.03 0.34 -0.18 0.27 -0.69 0.00 0.00 174.62 174.39 2idw s ILE 13 N 0.01 2.19 -0.12 1.82 -4.36 0.38 -1.06 121.20 120.06 2idw s ILE 13 Ca 0.42 -2.31 0.01 0.00 -0.26 0.00 0.00 60.65 58.51 2idw s ILE 13 Cb -0.21 -2.19 0.02 0.00 1.25 0.00 0.00 42.46 41.32 2idw s ILE 13 CO 0.25 -0.46 -0.14 -0.75 0.24 0.00 0.00 174.94 174.08 2idw s LYS 14 N -3.51 2.20 -0.14 0.37 2.20 -0.13 -1.33 119.74 119.40 2idw s LYS 14 Ca 0.27 -0.54 -0.10 0.00 -0.36 0.00 0.00 55.97 55.24 2idw s LYS 14 Cb -0.04 -1.93 0.04 0.00 -1.51 0.00 0.00 37.83 34.39 2idw s LYS 14 CO 0.12 -0.12 0.34 -1.50 -0.36 0.00 0.00 175.35 173.82 2idw s ILE 15 N 1.17 -0.02 -1.68 5.43 2.07 -0.37 -1.33 121.20 126.47 2idw s ILE 15 Ca -0.03 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.27 2idw s ILE 15 Cb -0.14 -0.50 0.00 0.00 0.13 0.00 0.00 42.46 41.95 2idw s ILE 15 CO -0.05 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.62 2idw n GLY 16 N 3.60 0.14 2.16 1.50 0.00 -1.26 -1.26 105.19 110.06 2idw n GLY 16 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2idw n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2idw n GLY 17 N -0.78 0.58 3.35 -0.02 0.00 -1.26 -5.04 105.19 102.02 2idw n GLY 17 Ca -0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 2idw n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2idw s GLN 18 N -0.00 1.89 -0.04 1.61 -0.21 -0.39 -5.13 119.66 117.39 2idw s GLN 18 Ca 0.00 -1.06 -0.15 0.00 0.02 0.00 0.00 55.36 54.17 2idw s GLN 18 Cb 0.00 -2.01 -0.05 0.00 1.00 0.00 0.00 33.01 31.94 2idw s GLN 18 CO 0.00 0.52 0.40 -0.51 -2.12 0.00 0.00 175.29 173.58 2idw s LEU 19 N -1.15 4.41 0.10 2.90 1.43 -1.26 -1.24 118.68 123.88 2idw s LEU 19 Ca 0.12 0.87 -0.01 0.00 -1.03 0.00 0.00 54.13 54.08 2idw s LEU 19 Cb -0.10 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 2idw s LEU 19 CO 0.02 0.25 0.03 -0.54 0.23 0.00 0.00 176.35 176.34 2idw s LYS 20 N -0.60 0.83 -0.13 1.70 1.02 -0.45 -4.99 119.74 117.13 2idw s LYS 20 Ca 0.23 -1.36 -0.08 0.00 0.02 0.00 0.00 55.97 54.79 2idw s LYS 20 Cb -0.16 0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 37.35 2idw s LYS 20 CO 0.11 -0.22 0.14 -1.21 -0.92 0.00 0.00 175.35 173.26 2idw s GLU 21 N -4.00 3.55 0.02 1.68 0.41 -1.26 -0.47 118.70 118.62 2idw s GLU 21 Ca 0.18 -0.13 -0.07 0.00 -0.41 0.00 0.00 54.97 54.54 2idw s GLU 21 Cb 0.08 -3.22 -0.00 0.00 -1.78 0.00 0.00 34.13 29.20 2idw s GLU 21 CO -0.02 0.71 0.13 0.00 -0.49 0.00 0.00 175.26 175.60 2idw s ALA 22 N -0.85 -0.25 0.01 5.21 0.00 -0.23 -4.54 121.76 121.11 2idw s ALA 22 Ca 0.14 -0.29 -0.27 0.00 0.00 0.00 0.00 51.96 51.55 2idw s ALA 22 Cb -0.12 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 2idw s ALA 22 CO 0.03 -0.27 0.84 -0.51 0.00 0.00 0.00 175.76 175.85 2idw s LEU 23 N -1.73 4.40 -0.55 0.00 1.43 0.06 -1.16 118.68 121.13 2idw s LEU 23 Ca -0.10 1.49 -0.28 0.00 -1.03 0.00 0.00 54.13 54.20 2idw s LEU 23 Cb -0.05 -3.34 0.03 0.00 0.03 0.00 0.00 46.19 42.86 2idw s LEU 23 CO -0.01 -0.11 1.24 -0.76 0.23 0.00 0.00 176.35 176.94 2idw s LEU 24 N 0.49 3.47 -0.35 1.79 1.43 -0.34 -0.48 118.68 124.70 2idw s LEU 24 Ca 0.43 0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.80 2idw s LEU 24 Cb -0.20 -3.23 0.10 0.00 0.03 0.00 0.00 46.19 42.89 2idw s LEU 24 CO 0.24 -1.49 0.07 -0.62 0.23 0.00 0.00 176.35 174.78 2idw s ASP 25 N 3.21 4.63 0.50 2.29 -1.08 -0.09 -4.82 116.67 121.32 2idw s ASP 25 Ca 0.47 -2.15 0.34 0.00 -0.52 0.00 0.00 52.55 50.69 2idw s ASP 25 Cb -0.08 -1.52 1.62 0.00 -1.46 0.00 0.00 42.92 41.47 2idw s ASP 25 CO 0.27 -0.37 2.01 0.71 0.52 0.00 0.00 175.17 178.31 2idw h THR 26 N 6.51 0.00 -0.01 1.71 1.35 -1.94 -2.63 112.91 117.91 2idw h THR 26 Ca -0.05 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 2idw h THR 26 Cb 1.01 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 2idw h THR 26 CO 0.52 0.00 -0.07 0.61 -0.25 0.00 0.00 175.52 176.34 2idw n GLY 27 N -0.53 -0.74 3.46 5.82 0.00 -1.26 -4.82 105.19 107.11 2idw n GLY 27 Ca -0.01 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 2idw n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2idw s ALA 28 N -2.27 3.03 0.22 4.61 0.00 -0.99 -4.99 121.76 121.36 2idw s ALA 28 Ca 0.35 -0.95 -0.06 0.00 0.00 0.00 0.00 51.96 51.30 2idw s ALA 28 Cb 0.21 -1.73 0.18 0.00 0.00 0.00 0.00 23.12 21.78 2idw s ALA 28 CO 0.42 -0.07 1.68 -0.44 0.00 0.00 0.00 175.76 177.35 2idw h ASP 29 N 7.32 0.90 -2.77 0.00 3.32 -1.87 0.33 116.42 123.65 2idw h ASP 29 Ca -0.35 -0.26 -0.52 0.00 0.02 0.00 0.00 57.03 55.92 2idw h ASP 29 Cb 1.18 -0.24 -0.14 0.00 0.22 0.00 0.00 39.33 40.35 2idw h ASP 29 CO 0.62 0.99 -0.74 -1.81 -1.72 0.00 0.00 179.24 176.57 2idw s ASP 30 N -6.64 3.01 -0.08 6.45 1.01 -1.26 -2.42 116.67 116.74 2idw s ASP 30 Ca -0.10 -1.04 -0.19 0.00 0.71 0.00 0.00 52.55 51.93 2idw s ASP 30 Cb 0.14 -0.21 -0.05 0.00 1.01 0.00 0.00 42.92 43.81 2idw s ASP 30 CO 0.84 -0.10 0.51 -0.89 0.21 0.00 0.00 175.17 175.74 2idw s THR 31 N -2.78 5.11 -0.09 -1.27 2.01 -1.26 -3.68 115.64 113.67 2idw s THR 31 Ca 0.26 1.03 0.01 0.00 0.31 0.00 0.00 61.69 63.30 2idw s THR 31 Cb -0.02 -3.84 0.02 0.00 0.01 0.00 0.00 72.50 68.67 2idw s THR 31 CO 0.11 0.37 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.61 2idw s VAL 32 N 0.29 1.11 -0.01 3.82 1.01 -0.01 -0.99 120.40 125.62 2idw s VAL 32 Ca 0.27 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 61.94 2idw s VAL 32 Cb -0.16 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 2idw s VAL 32 CO 0.12 0.37 -0.25 -0.63 0.00 0.00 0.00 175.10 174.71 2idw s ILE 33 N 1.21 2.11 0.57 2.22 -1.09 0.67 -0.54 121.20 126.35 2idw s ILE 33 Ca -0.04 -1.13 -0.20 0.00 -2.23 0.00 0.00 60.65 57.05 2idw s ILE 33 Cb -0.14 -1.74 -0.05 0.00 -1.58 0.00 0.00 42.46 38.94 2idw s ILE 33 CO -0.03 0.55 1.05 -0.62 -1.23 0.00 0.00 174.94 174.66 2idw n GLU 34 N 2.34 1.10 -1.61 2.79 1.02 -1.26 -1.89 120.64 123.13 2idw n GLU 34 Ca -0.16 0.42 -0.58 0.00 -0.02 0.00 0.00 57.16 56.81 2idw n GLU 34 Cb 0.51 -2.23 -0.08 0.00 -0.02 0.00 0.00 31.44 29.63 2idw n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2idw n GLU 35 N -0.87 0.58 -3.60 3.49 4.07 -0.69 -4.63 120.64 118.99 2idw n GLU 35 Ca 0.13 0.21 -0.15 0.00 -0.06 0.00 0.00 57.16 57.29 2idw n GLU 35 Cb 0.46 -1.79 -0.06 0.00 -0.06 0.00 0.00 31.44 29.99 2idw n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2idw s MET 36 N 1.33 0.97 -1.29 5.31 0.23 -1.26 -5.00 119.30 119.59 2idw s MET 36 Ca 0.93 -0.09 -0.12 0.00 -1.03 0.00 0.00 55.69 55.37 2idw s MET 36 Cb -1.17 0.45 0.14 0.00 -1.53 0.00 0.00 34.83 32.72 2idw s MET 36 CO 0.60 -0.32 1.79 0.45 -2.03 0.00 0.00 175.02 175.50 2idw n SER 37 N 0.71 4.95 -4.75 -1.18 2.88 -1.26 -4.99 113.62 109.98 2idw n SER 37 Ca -0.19 -3.02 -0.41 0.00 -1.33 0.00 0.00 58.87 53.92 2idw n SER 37 Cb 0.59 -1.55 -0.04 0.00 -0.75 0.00 0.00 64.21 62.46 2idw n SER 37 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2idw s LEU 38 N 0.99 4.48 0.67 2.46 1.43 -1.26 -5.03 118.68 122.42 2idw s LEU 38 Ca 0.43 2.27 -0.12 0.00 -1.03 0.00 0.00 54.13 55.68 2idw s LEU 38 Cb 0.06 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.67 2idw s LEU 38 CO -0.00 -0.32 1.06 -2.16 0.23 0.00 0.00 176.35 175.16 2idw s PRO 39 N -0.69 3.01 0.03 1.29 0.04 -1.26 -4.98 135.00 132.44 2idw s PRO 39 Ca 0.50 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.56 2idw s PRO 39 Cb -0.33 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.21 2idw s PRO 39 CO 0.39 -1.04 0.00 0.41 0.04 0.00 0.00 177.00 176.80 2idw n GLY 40 N -1.74 -3.51 3.85 0.56 0.00 -1.26 -5.01 105.19 98.08 2idw n GLY 40 Ca 0.08 -2.05 -0.32 0.00 0.00 0.00 0.00 46.02 43.73 2idw n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2idw s ARG 41 N -0.72 3.92 0.20 1.61 0.52 -1.26 -5.06 118.95 118.15 2idw s ARG 41 Ca 0.00 0.90 -0.13 0.00 -0.52 0.00 0.00 55.73 55.99 2idw s ARG 41 Cb 0.00 -2.15 0.00 0.00 0.52 0.00 0.00 34.95 33.32 2idw s ARG 41 CO 0.00 -0.27 0.41 1.67 0.02 0.00 0.00 175.30 177.13 2idw s TRP 42 N -2.63 0.22 -0.01 -0.53 1.48 -1.26 -4.61 118.94 111.59 2idw s TRP 42 Ca 0.58 -0.58 0.04 0.00 -1.06 0.00 0.00 56.10 55.08 2idw s TRP 42 Cb -0.10 0.15 -0.01 0.00 -1.16 0.00 0.00 33.47 32.36 2idw s TRP 42 CO 0.32 -0.85 -0.12 0.21 -4.06 0.00 0.00 176.95 172.45 2idw s LYS 43 N -3.95 1.02 0.48 3.25 2.20 -0.48 -4.91 119.74 117.35 2idw s LYS 43 Ca 0.16 -0.42 -0.23 0.00 -0.36 0.00 0.00 55.97 55.11 2idw s LYS 43 Cb 0.01 -0.97 -0.07 0.00 -1.51 0.00 0.00 37.83 35.29 2idw s LYS 43 CO 0.01 0.24 1.27 -2.14 -0.36 0.00 0.00 175.35 174.37 2idw s PRO 44 N -0.21 3.56 0.04 4.03 0.02 -1.26 -0.71 135.00 140.47 2idw s PRO 44 Ca 0.03 2.03 -0.10 0.00 0.02 0.00 0.00 61.00 62.98 2idw s PRO 44 Cb -0.05 -2.42 0.01 0.00 0.02 0.00 0.00 34.50 32.06 2idw s PRO 44 CO -0.00 -0.79 0.22 0.21 -0.33 0.00 0.00 177.00 176.31 2idw s LYS 45 N -2.69 0.73 -0.06 5.54 2.20 -0.60 -4.85 119.74 120.01 2idw s LYS 45 Ca 0.65 -0.63 0.06 0.00 -0.36 0.00 0.00 55.97 55.69 2idw s LYS 45 Cb -0.35 0.30 -0.01 0.00 -1.51 0.00 0.00 37.83 36.27 2idw s LYS 45 CO 0.43 -0.22 -0.24 -1.64 -0.36 0.00 0.00 175.35 173.32 2idw s MET 46 N -2.66 2.49 0.02 4.03 -1.94 -1.26 -0.85 119.30 119.14 2idw s MET 46 Ca -0.04 -0.86 0.06 0.00 -1.71 0.00 0.00 55.69 53.14 2idw s MET 46 Cb -0.01 -2.08 -0.02 0.00 2.01 0.00 0.00 34.83 34.73 2idw s MET 46 CO -0.04 0.34 -0.17 0.96 -0.01 0.00 0.00 175.02 176.09 2idw s ILE 47 N -0.07 1.35 0.03 2.53 -4.36 -0.64 -4.97 121.20 115.08 2idw s ILE 47 Ca -0.06 -0.97 0.09 0.00 -0.26 0.00 0.00 60.65 59.45 2idw s ILE 47 Cb -0.14 -1.17 -0.03 0.00 1.25 0.00 0.00 42.46 42.37 2idw s ILE 47 CO 0.04 0.18 -0.26 -0.83 0.24 0.00 0.00 174.94 174.31 2idw s GLY 48 N -0.92 1.36 0.00 6.27 0.00 -1.26 -0.99 107.32 111.78 2idw s GLY 48 Ca 0.05 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.54 2idw s GLY 48 CO 0.01 -1.10 0.00 0.61 0.00 0.00 0.00 173.10 172.62 2idw n GLY 49 N 1.92 4.01 3.71 0.20 0.00 -0.41 -4.97 105.19 109.64 2idw n GLY 49 Ca -0.17 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 2idw n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2idw s ILE 50 N -1.32 2.20 0.00 -0.61 1.01 -1.26 -1.44 121.20 119.78 2idw s ILE 50 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.72 2idw s ILE 50 Cb 0.00 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.43 2idw s ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.55 2idw n GLY 51 N 4.02 1.27 0.00 6.18 0.00 -1.26 -4.95 105.19 110.46 2idw n GLY 51 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2idw n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2idw n GLY 52 N -2.00 0.08 3.81 -0.02 0.00 -0.52 -5.07 105.19 101.46 2idw n GLY 52 Ca 0.00 -2.11 -0.28 0.00 0.00 0.00 0.00 46.02 43.63 2idw n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2idw s PHE 53 N 0.00 3.20 0.12 1.61 0.40 -1.26 -1.29 117.98 120.76 2idw s PHE 53 Ca 0.00 0.03 0.08 0.00 -0.60 0.00 0.00 56.93 56.44 2idw s PHE 53 Cb 0.00 -1.57 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 2idw s PHE 53 CO 0.00 0.52 -0.19 0.96 0.70 0.00 0.00 175.22 177.21 2idw s ILE 54 N -1.62 1.69 -0.06 0.64 -4.36 -0.16 -4.96 121.20 112.37 2idw s ILE 54 Ca 0.31 -1.67 -0.22 0.00 -0.26 0.00 0.00 60.65 58.81 2idw s ILE 54 Cb -0.11 -1.62 -0.04 0.00 1.25 0.00 0.00 42.46 41.94 2idw s ILE 54 CO 0.23 -0.18 0.65 -0.54 0.24 0.00 0.00 174.94 175.34 2idw s LYS 55 N -2.24 4.40 0.17 0.37 1.02 -1.26 -1.61 119.74 120.58 2idw s LYS 55 Ca 0.09 0.80 0.02 0.00 0.02 0.00 0.00 55.97 56.90 2idw s LYS 55 Cb -0.08 -3.42 -0.05 0.00 -0.52 0.00 0.00 37.83 33.76 2idw s LYS 55 CO 0.05 0.15 -0.01 0.14 -0.92 0.00 0.00 175.35 174.76 2idw s VAL 56 N 0.53 0.73 -0.25 3.17 -7.23 -0.03 -4.35 120.40 112.97 2idw s VAL 56 Ca 0.34 -1.99 -0.10 0.00 -1.81 0.00 0.00 61.98 58.43 2idw s VAL 56 Cb -0.18 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 2idw s VAL 56 CO 0.17 -0.51 0.14 -0.13 -0.31 0.00 0.00 175.10 174.47 2idw s ARG 57 N -3.90 3.96 -0.30 4.82 0.52 0.19 -1.56 118.95 122.69 2idw s ARG 57 Ca 0.23 -0.32 -0.17 0.00 -0.52 0.00 0.00 55.73 54.94 2idw s ARG 57 Cb 0.06 -3.51 -0.02 0.00 0.52 0.00 0.00 34.95 32.00 2idw s ARG 57 CO 0.04 -0.03 0.49 -1.14 0.02 0.00 0.00 175.30 174.68 2idw s GLN 58 N 1.28 3.89 -0.14 3.54 0.74 0.11 -0.87 119.66 128.21 2idw s GLN 58 Ca 0.07 0.09 -0.02 0.00 0.05 0.00 0.00 55.36 55.54 2idw s GLN 58 Cb -0.14 -3.71 -0.03 0.00 1.10 0.00 0.00 33.01 30.23 2idw s GLN 58 CO 0.06 -0.45 -0.06 0.71 -0.55 0.00 0.00 175.29 175.00 2idw s TYR 59 N 2.31 2.98 0.11 1.67 1.51 -0.14 -1.38 117.35 124.41 2idw s TYR 59 Ca 0.19 -0.29 0.02 0.00 -1.01 0.00 0.00 57.07 55.98 2idw s TYR 59 Cb -0.16 -1.90 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 2idw s TYR 59 CO 0.11 0.01 0.20 -0.51 -1.11 0.00 0.00 175.55 174.25 2idw s ASP 60 N 0.14 6.06 -1.34 2.29 -0.00 -1.26 -0.89 116.67 121.68 2idw s ASP 60 Ca -0.02 0.12 -0.06 0.00 -0.00 0.00 0.00 52.55 52.58 2idw s ASP 60 Cb -0.14 -1.77 0.02 0.00 -0.00 0.00 0.00 42.92 41.03 2idw s ASP 60 CO 0.03 0.11 1.05 0.00 -0.00 0.00 0.00 175.17 176.36 2idw n GLN 61 N -0.09 -6.87 -3.28 8.23 1.13 -1.12 -4.91 117.38 110.47 2idw n GLN 61 Ca -0.07 0.77 -0.38 0.00 -1.94 0.00 0.00 57.00 55.38 2idw n GLN 61 Cb 0.53 -5.74 -0.06 0.00 0.11 0.00 0.00 30.24 25.08 2idw n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2idw s ILE 62 N -3.37 5.12 0.10 5.09 -1.09 -0.04 -4.73 121.20 122.28 2idw s ILE 62 Ca 0.37 1.05 -0.30 0.00 -2.23 0.00 0.00 60.65 59.54 2idw s ILE 62 Cb -0.17 -3.85 -0.06 0.00 -1.58 0.00 0.00 42.46 36.80 2idw s ILE 62 CO 0.76 0.35 0.98 -0.63 -1.23 0.00 0.00 174.94 175.16 2idw s ILE 63 N 0.42 4.48 -0.20 2.92 -1.09 -1.26 -1.38 121.20 125.10 2idw s ILE 63 Ca 0.28 2.01 -0.08 0.00 -2.23 0.00 0.00 60.65 60.63 2idw s ILE 63 Cb -0.16 -4.29 0.08 0.00 -1.58 0.00 0.00 42.46 36.52 2idw s ILE 63 CO 0.12 0.29 0.43 -0.51 -1.23 0.00 0.00 174.94 174.04 2idw s ILE 64 N 0.14 -0.47 -0.16 2.92 2.07 -0.44 -4.42 121.20 120.84 2idw s ILE 64 Ca 0.48 0.14 -0.13 0.00 -1.41 0.00 0.00 60.65 59.73 2idw s ILE 64 Cb -0.24 -0.67 -0.05 0.00 0.13 0.00 0.00 42.46 41.64 2idw s ILE 64 CO 0.30 0.06 0.26 -0.70 -1.91 0.00 0.00 174.94 172.95 2idw s GLU 65 N 2.26 4.19 -0.27 3.50 2.12 -0.44 -1.41 118.70 128.65 2idw s GLU 65 Ca -0.04 0.03 0.02 0.00 0.36 0.00 0.00 54.97 55.34 2idw s GLU 65 Cb -0.11 -3.41 0.07 0.00 0.26 0.00 0.00 34.13 30.95 2idw s GLU 65 CO -0.13 0.29 -0.04 0.42 -0.54 0.00 0.00 175.26 175.26 2idw s ILE 66 N 0.32 1.82 -1.60 -3.70 1.01 0.61 -0.95 121.20 118.71 2idw s ILE 66 Ca 0.15 -1.56 -0.16 0.00 0.00 0.00 0.00 60.65 59.09 2idw s ILE 66 Cb -0.13 -2.09 0.11 0.00 0.01 0.00 0.00 42.46 40.37 2idw s ILE 66 CO 0.03 -0.20 0.91 0.00 0.00 0.00 0.00 174.94 175.68 2idw n ALA 67 N 4.53 -1.28 -0.61 9.38 0.00 -0.22 -0.87 120.51 131.44 2idw n ALA 67 Ca -0.09 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2idw n ALA 67 Cb 0.43 -4.08 0.00 0.00 0.00 0.00 0.00 19.45 15.80 2idw n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2idw n GLY 68 N -1.58 0.90 3.59 0.00 0.00 -1.26 -5.03 105.19 101.82 2idw n GLY 68 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 2idw n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2idw s HIS 69 N -3.26 3.23 0.38 1.61 4.02 -0.05 -5.08 115.29 116.13 2idw s HIS 69 Ca 0.00 0.01 -0.25 0.00 1.02 0.00 0.00 55.06 55.84 2idw s HIS 69 Cb 0.00 -2.21 -0.09 0.00 -1.02 0.00 0.00 32.58 29.26 2idw s HIS 69 CO 0.00 -0.03 1.03 0.15 1.02 0.00 0.00 174.74 176.91 2idw s LYS 70 N 1.04 4.28 0.13 1.40 1.02 -1.26 -0.28 119.74 126.07 2idw s LYS 70 Ca 0.06 1.49 -0.10 0.00 0.02 0.00 0.00 55.97 57.44 2idw s LYS 70 Cb -0.14 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 2idw s LYS 70 CO 0.04 -0.04 0.28 0.00 -0.92 0.00 0.00 175.35 174.71 2idw s ALA 71 N -1.62 -0.28 -0.18 5.17 0.00 -0.50 -4.79 121.76 119.56 2idw s ALA 71 Ca 0.55 -0.62 -0.09 0.00 0.00 0.00 0.00 51.96 51.80 2idw s ALA 71 Cb -0.22 0.69 0.07 0.00 0.00 0.00 0.00 23.12 23.66 2idw s ALA 71 CO 0.28 -0.60 0.41 -1.50 0.00 0.00 0.00 175.76 174.35 2idw s ILE 72 N -3.90 -0.19 -0.96 0.00 2.07 -1.26 -1.32 121.20 115.63 2idw s ILE 72 Ca 0.10 0.12 0.00 0.00 -1.41 0.00 0.00 60.65 59.45 2idw s ILE 72 Cb 0.03 -0.63 0.00 0.00 0.13 0.00 0.00 42.46 42.00 2idw s ILE 72 CO -0.06 0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.63 2idw n GLY 73 N 4.58 -0.55 3.74 1.50 0.00 -0.48 -4.86 105.19 109.12 2idw n GLY 73 Ca -0.19 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 2idw n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2idw s THR 74 N -3.03 4.16 -0.05 2.61 2.01 -1.26 -0.86 115.64 119.21 2idw s THR 74 Ca 0.00 1.93 0.02 0.00 0.31 0.00 0.00 61.69 63.95 2idw s THR 74 Cb 0.00 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.29 2idw s THR 74 CO 0.00 0.36 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.51 2idw s VAL 75 N -0.47 0.84 -0.18 3.82 1.01 -0.07 -4.44 120.40 120.92 2idw s VAL 75 Ca 0.46 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 2idw s VAL 75 Cb -0.26 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 2idw s VAL 75 CO 0.32 0.28 0.13 -0.76 0.00 0.00 0.00 175.10 175.08 2idw s LEU 76 N 0.64 4.22 -0.08 3.92 1.43 -0.16 -0.97 118.68 127.68 2idw s LEU 76 Ca -0.11 0.27 0.04 0.00 -1.03 0.00 0.00 54.13 53.30 2idw s LEU 76 Cb -0.14 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.01 2idw s LEU 76 CO 0.02 0.23 -0.21 -0.69 0.23 0.00 0.00 176.35 175.92 2idw s VAL 77 N 0.05 1.84 -1.03 -1.59 1.01 -0.05 -0.24 120.40 120.39 2idw s VAL 77 Ca 0.09 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.17 2idw s VAL 77 Cb -0.11 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.67 2idw s VAL 77 CO -0.01 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.22 2idw n GLY 78 N 3.47 -0.95 2.20 4.51 0.00 -0.79 -0.63 105.19 112.99 2idw n GLY 78 Ca -0.19 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 44.75 2idw n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2idw n PRO 79 N 0.00 2.99 -2.74 1.61 -0.04 -1.26 -1.70 135.00 133.86 2idw n PRO 79 Ca 0.00 -1.79 -0.37 0.00 -0.04 0.00 0.00 63.50 61.31 2idw n PRO 79 Cb 0.00 -2.42 -0.06 0.00 -0.04 0.00 0.00 33.50 30.98 2idw n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2idw s THR 80 N 1.26 4.12 -1.63 0.52 -1.32 -1.26 -4.96 115.64 112.37 2idw s THR 80 Ca 0.67 1.71 0.30 0.00 -1.21 0.00 0.00 61.69 63.16 2idw s THR 80 Cb 0.25 -3.93 0.64 0.00 -1.51 0.00 0.00 72.50 67.95 2idw s THR 80 CO -0.05 0.09 2.08 -0.81 -2.21 0.00 0.00 174.62 173.72 2idw n PRO 81 N 0.39 0.61 -3.77 7.08 -0.04 -1.26 -4.68 135.00 133.33 2idw n PRO 81 Ca 0.03 0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.36 2idw n PRO 81 Cb 0.50 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 2idw n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2idw s ALA 82 N -2.37 -0.76 -0.10 0.55 0.00 -1.26 -5.11 121.76 112.72 2idw s ALA 82 Ca 0.34 0.62 -0.30 0.00 0.00 0.00 0.00 51.96 52.63 2idw s ALA 82 Cb 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 2idw s ALA 82 CO 0.42 -0.19 1.06 -0.80 0.00 0.00 0.00 175.76 176.25 2idw s ASN 83 N -0.48 7.18 -0.18 0.00 0.01 -1.26 -4.55 114.94 115.65 2idw s ASN 83 Ca -0.06 1.60 0.00 0.00 -0.71 0.00 0.00 52.86 53.69 2idw s ASN 83 Cb -0.04 -2.56 0.04 0.00 0.41 0.00 0.00 41.25 39.11 2idw s ASN 83 CO 0.02 -0.51 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.39 2idw s ILE 84 N 2.18 1.37 -0.41 0.60 1.01 0.30 -0.76 121.20 125.49 2idw s ILE 84 Ca 0.50 -0.79 -0.20 0.00 0.00 0.00 0.00 60.65 60.15 2idw s ILE 84 Cb -0.20 -1.48 0.02 0.00 0.01 0.00 0.00 42.46 40.80 2idw s ILE 84 CO 0.18 0.16 0.61 -0.63 0.00 0.00 0.00 174.94 175.27 2idw s ILE 85 N 1.52 4.88 0.56 2.92 -1.09 0.37 -0.83 121.20 129.53 2idw s ILE 85 Ca 0.00 0.22 0.05 0.00 -2.23 0.00 0.00 60.65 58.68 2idw s ILE 85 Cb -0.16 -4.14 0.10 0.00 -1.58 0.00 0.00 42.46 36.69 2idw s ILE 85 CO -0.08 -0.48 0.78 0.61 -1.23 0.00 0.00 174.94 174.53 2idw n GLY 86 N 4.93 1.37 0.25 6.18 0.00 -1.24 -0.91 105.19 115.78 2idw n GLY 86 Ca -0.02 -2.13 0.08 0.00 0.00 0.00 0.00 46.02 43.95 2idw n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2idw h ARG 87 N 0.00 0.00 -0.19 1.61 3.08 -0.89 -0.63 114.38 117.36 2idw h ARG 87 Ca -0.26 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.84 2idw h ARG 87 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 2idw h ARG 87 CO 0.32 0.08 0.13 -2.95 -1.07 0.00 0.00 179.97 176.49 2idw h ASN 88 N 0.00 0.01 0.00 7.04 -1.07 -1.74 -2.33 115.58 117.49 2idw h ASN 88 Ca -0.00 -0.00 -0.14 0.00 0.07 0.00 0.00 56.30 56.23 2idw h ASN 88 Cb 0.16 -0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.38 2idw h ASN 88 CO 0.01 0.01 -1.89 0.18 0.07 0.00 0.00 177.43 175.81 2idw n LEU 89 N -4.48 0.00 -0.29 6.14 4.77 -0.67 -4.38 117.00 118.09 2idw n LEU 89 Ca 0.01 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.02 2idw n LEU 89 Cb 0.26 0.19 0.23 0.00 -2.33 0.00 0.00 43.42 41.77 2idw n LEU 89 CO 0.35 0.19 1.25 -0.07 -1.33 0.00 0.00 177.39 177.78 2idw h LEU 90 N 0.00 0.93 -1.17 2.23 3.38 -0.95 -1.41 115.31 118.32 2idw h LEU 90 Ca -0.21 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 2idw h LEU 90 Cb 1.34 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2idw h LEU 90 CO 0.01 0.63 0.07 0.71 0.09 0.00 0.00 178.44 179.95 2idw h THR 91 N 1.07 1.20 0.00 0.22 1.35 -1.64 -1.87 112.91 113.24 2idw h THR 91 Ca 0.35 -0.76 -0.07 0.00 -0.55 0.00 0.00 66.41 65.39 2idw h THR 91 Cb 0.05 0.80 -0.01 0.00 -1.73 0.00 0.00 68.15 67.27 2idw h THR 91 CO -0.11 0.27 -0.31 1.56 -0.25 0.00 0.00 175.52 176.68 2idw h GLN 92 N 0.63 0.00 -0.64 4.72 4.20 -1.46 -2.63 115.11 119.92 2idw h GLN 92 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2idw h GLN 92 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2idw h GLN 92 CO 0.00 0.31 0.00 0.44 -0.67 0.00 0.00 178.83 178.91 2idw n ILE 93 N -3.61 0.90 -2.03 2.54 -5.35 -1.06 -4.96 119.36 105.78 2idw n ILE 93 Ca -0.01 -0.95 -0.04 0.00 -0.27 0.00 0.00 62.75 61.48 2idw n ILE 93 Cb 0.44 0.60 -0.00 0.00 -1.74 0.00 0.00 39.64 38.94 2idw n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2idw n GLY 94 N 1.56 0.22 3.78 3.28 0.00 -0.99 -5.01 105.19 108.03 2idw n GLY 94 Ca 0.23 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 2idw n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2idw s ALA 95 N -2.21 3.35 0.11 4.61 0.00 -0.73 -5.04 121.76 121.84 2idw s ALA 95 Ca 0.00 0.42 0.04 0.00 0.00 0.00 0.00 51.96 52.42 2idw s ALA 95 Cb 0.00 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 2idw s ALA 95 CO 0.00 0.25 -0.10 0.95 0.00 0.00 0.00 175.76 176.86 2idw s THR 96 N -1.36 0.98 -0.17 0.00 -4.23 -1.26 -4.74 115.64 104.86 2idw s THR 96 Ca 0.42 -1.72 -0.08 0.00 -1.18 0.00 0.00 61.69 59.13 2idw s THR 96 Cb -0.21 -1.46 -0.04 0.00 1.34 0.00 0.00 72.50 72.13 2idw s THR 96 CO 0.26 -0.60 0.10 -0.22 -0.54 0.00 0.00 174.62 173.62 2idw s LEU 97 N -2.59 4.07 -0.04 4.79 2.96 -1.26 -5.09 118.68 121.52 2idw s LEU 97 Ca 0.08 0.23 0.02 0.00 -0.22 0.00 0.00 54.13 54.23 2idw s LEU 97 Cb -0.02 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.66 2idw s LEU 97 CO -0.00 0.24 -0.07 0.20 -1.32 0.00 0.00 176.35 175.40 2idw s ASN 98 N -0.03 1.06 0.00 3.68 -0.87 -1.26 -5.29 114.94 112.24 2idw s ASN 98 Ca 0.08 -0.16 0.00 0.00 -1.57 0.00 0.00 52.86 51.21 2idw s ASN 98 Cb -0.12 -0.41 0.00 0.00 -0.02 0.00 0.00 41.25 40.70 2idw s ASN 98 CO 0.00 0.00 0.00 2.22 -2.57 0.00 0.00 177.10 176.76