#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d4y s GLN 2 N 0.00 3.94 -0.17 0.54 0.74 -1.26 -5.09 119.66 118.37 1d4y s GLN 2 Ca 0.00 -0.31 -0.01 0.00 0.05 0.00 0.00 55.36 55.09 1d4y s GLN 2 Cb 0.00 -3.24 -0.01 0.00 1.10 0.00 0.00 33.01 30.87 1d4y s GLN 2 CO 0.00 0.33 -0.10 0.42 -0.55 0.00 0.00 175.29 175.39 1d4y s ILE 3 N 0.21 3.04 0.51 -2.34 1.01 -1.26 -5.10 121.20 117.27 1d4y s ILE 3 Ca 0.05 -0.63 -0.07 0.00 0.00 0.00 0.00 60.65 60.01 1d4y s ILE 3 Cb -0.12 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 1d4y s ILE 3 CO -0.00 0.49 0.83 0.42 0.00 0.00 0.00 174.94 176.68 1d4y s THR 4 N 0.94 4.87 -0.33 2.92 -4.23 -1.26 -5.02 115.64 113.52 1d4y s THR 4 Ca -0.02 0.35 0.08 0.00 -1.18 0.00 0.00 61.69 60.92 1d4y s THR 4 Cb -0.15 -3.86 0.58 0.00 1.34 0.00 0.00 72.50 70.42 1d4y s THR 4 CO -0.01 -0.90 1.64 0.18 -0.54 0.00 0.00 174.62 175.00 1d4y n LEU 5 N -2.32 5.12 0.16 4.79 4.77 -1.26 -4.50 117.00 123.77 1d4y n LEU 5 Ca 0.02 -3.61 0.03 0.00 -0.03 0.00 0.00 56.01 52.42 1d4y n LEU 5 Cb 0.55 -0.70 0.25 0.00 -2.33 0.00 0.00 43.42 41.19 1d4y n LEU 5 CO 0.54 1.10 0.59 -0.50 -1.33 0.00 0.00 177.39 177.79 1d4y h TRP 6 N 1.24 0.00 -2.22 -1.77 4.06 -2.06 -3.44 115.95 111.77 1d4y h TRP 6 Ca 0.34 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.73 1d4y h TRP 6 Cb 2.09 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 30.11 1d4y h TRP 6 CO 1.19 0.49 -0.61 0.15 -3.56 0.00 0.00 178.44 176.10 1d4y s LYS 7 N -3.58 1.80 0.33 0.49 1.02 -1.26 -5.10 119.74 113.44 1d4y s LYS 7 Ca -0.00 -2.00 -0.29 0.00 0.02 0.00 0.00 55.97 53.69 1d4y s LYS 7 Cb 0.12 -1.29 -0.11 0.00 -0.52 0.00 0.00 37.83 36.02 1d4y s LYS 7 CO 0.72 -0.09 1.52 0.54 -0.92 0.00 0.00 175.35 177.12 1d4y n ARG 8 N -0.82 2.64 -2.59 1.68 1.74 -1.26 -4.88 116.66 113.17 1d4y n ARG 8 Ca -0.04 0.93 -0.43 0.00 -0.77 0.00 0.00 57.85 57.54 1d4y n ARG 8 Cb 0.66 -2.67 0.00 0.00 -1.02 0.00 0.00 32.46 29.43 1d4y n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1d4y n PRO 9 N 1.25 3.27 -3.45 5.56 -0.04 -1.26 -4.96 135.00 135.37 1d4y n PRO 9 Ca 0.05 -3.44 -0.38 0.00 -0.04 0.00 0.00 63.50 59.69 1d4y n PRO 9 Cb 0.37 -3.24 -0.06 0.00 -0.04 0.00 0.00 33.50 30.54 1d4y n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1d4y s LEU 10 N 2.48 4.42 0.13 1.53 1.43 -1.26 -1.20 118.68 126.20 1d4y s LEU 10 Ca 0.47 0.92 0.02 0.00 -1.03 0.00 0.00 54.13 54.51 1d4y s LEU 10 Cb 0.03 -2.62 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 1d4y s LEU 10 CO 0.02 0.23 -0.04 0.68 0.23 0.00 0.00 176.35 177.47 1d4y s VAL 11 N -0.57 0.69 -0.00 -1.59 -7.23 0.20 -4.93 120.40 106.96 1d4y s VAL 11 Ca 0.24 -1.96 -0.20 0.00 -1.81 0.00 0.00 61.98 58.26 1d4y s VAL 11 Cb -0.16 -1.86 -0.05 0.00 0.56 0.00 0.00 36.38 34.87 1d4y s VAL 11 CO 0.12 -0.71 0.57 -0.89 -0.31 0.00 0.00 175.10 173.88 1d4y s THR 12 N -3.64 4.92 0.13 5.32 2.01 -1.26 -0.23 115.64 122.90 1d4y s THR 12 Ca 0.17 1.19 0.07 0.00 0.31 0.00 0.00 61.69 63.42 1d4y s THR 12 Cb 0.05 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 1d4y s THR 12 CO -0.01 0.44 -0.15 0.27 -0.69 0.00 0.00 174.62 174.47 1d4y s ILE 13 N -0.29 1.48 -0.20 1.82 -4.36 0.19 -2.83 121.20 117.01 1d4y s ILE 13 Ca 0.30 -1.77 -0.01 0.00 -0.26 0.00 0.00 60.65 58.91 1d4y s ILE 13 Cb -0.18 -1.62 0.01 0.00 1.25 0.00 0.00 42.46 41.92 1d4y s ILE 13 CO 0.17 -0.38 -0.13 -0.75 0.24 0.00 0.00 174.94 174.08 1d4y s LYS 14 N -2.69 3.16 -0.03 0.37 2.36 -0.21 -0.82 119.74 121.87 1d4y s LYS 14 Ca 0.11 -0.74 -0.01 0.00 -2.55 0.00 0.00 55.97 52.77 1d4y s LYS 14 Cb -0.05 -2.75 0.03 0.00 -1.05 0.00 0.00 37.83 34.00 1d4y s LYS 14 CO 0.04 -0.20 0.06 -1.50 1.55 0.00 0.00 175.35 175.31 1d4y s ILE 15 N 1.35 -0.04 -1.82 5.43 2.07 -0.68 -1.67 121.20 125.84 1d4y s ILE 15 Ca 0.05 0.16 0.00 0.00 -1.41 0.00 0.00 60.65 59.45 1d4y s ILE 15 Cb -0.14 -0.12 0.00 0.00 0.13 0.00 0.00 42.46 42.33 1d4y s ILE 15 CO -0.09 0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.62 1d4y n GLY 16 N 3.95 1.03 1.62 1.50 0.00 -1.26 -0.40 105.19 111.63 1d4y n GLY 16 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1d4y n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d4y n GLY 17 N -0.53 1.47 3.92 -0.02 0.00 -1.26 -5.04 105.19 103.73 1d4y n GLY 17 Ca -0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 1d4y n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1d4y s GLN 18 N -0.46 3.32 -0.05 1.61 -0.21 0.46 -5.10 119.66 119.23 1d4y s GLN 18 Ca 0.00 -0.69 -0.05 0.00 0.02 0.00 0.00 55.36 54.64 1d4y s GLN 18 Cb 0.00 -2.88 -0.04 0.00 1.00 0.00 0.00 33.01 31.09 1d4y s GLN 18 CO 0.00 0.50 0.18 -0.51 -2.12 0.00 0.00 175.29 173.34 1d4y s LEU 19 N -3.34 4.38 0.10 2.90 2.01 -1.26 -1.68 118.68 121.78 1d4y s LEU 19 Ca 0.34 0.45 -0.13 0.00 0.01 0.00 0.00 54.13 54.79 1d4y s LEU 19 Cb -0.10 -2.40 0.02 0.00 0.01 0.00 0.00 46.19 43.72 1d4y s LEU 19 CO 0.27 0.32 0.31 -0.54 1.01 0.00 0.00 176.35 177.73 1d4y s LYS 20 N -1.51 0.95 -0.01 1.70 1.02 -0.00 -4.97 119.74 116.92 1d4y s LYS 20 Ca 0.22 -0.76 -0.12 0.00 0.02 0.00 0.00 55.97 55.33 1d4y s LYS 20 Cb -0.13 0.41 -0.05 0.00 -0.52 0.00 0.00 37.83 37.54 1d4y s LYS 20 CO 0.12 -0.34 0.33 -1.21 -0.92 0.00 0.00 175.35 173.33 1d4y s GLU 21 N -3.63 3.76 0.03 1.68 2.02 -1.26 0.52 118.70 121.82 1d4y s GLU 21 Ca 0.02 0.21 -0.01 0.00 0.02 0.00 0.00 54.97 55.21 1d4y s GLU 21 Cb 0.03 -3.17 -0.03 0.00 0.10 0.00 0.00 34.13 31.06 1d4y s GLU 21 CO -0.10 0.69 -0.01 0.00 0.02 0.00 0.00 175.26 175.86 1d4y s ALA 22 N -1.13 0.23 -0.19 5.21 0.00 0.68 -4.51 121.76 122.04 1d4y s ALA 22 Ca 0.23 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 51.28 1d4y s ALA 22 Cb -0.15 0.21 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 1d4y s ALA 22 CO 0.12 -0.26 0.16 -1.17 0.00 0.00 0.00 175.76 174.60 1d4y s LEU 23 N -2.10 4.22 -0.41 0.00 2.96 -0.16 0.59 118.68 123.76 1d4y s LEU 23 Ca -0.06 0.27 -0.28 0.00 -0.22 0.00 0.00 54.13 53.85 1d4y s LEU 23 Cb -0.02 -2.13 0.02 0.00 0.50 0.00 0.00 46.19 44.56 1d4y s LEU 23 CO -0.05 0.17 1.05 -0.76 -1.32 0.00 0.00 176.35 175.44 1d4y s LEU 24 N 0.37 3.84 -0.29 -0.68 1.43 -0.34 -0.74 118.68 122.27 1d4y s LEU 24 Ca 0.09 0.58 0.02 0.00 -1.03 0.00 0.00 54.13 53.80 1d4y s LEU 24 Cb -0.11 -3.43 0.08 0.00 0.03 0.00 0.00 46.19 42.75 1d4y s LEU 24 CO -0.01 -1.05 -0.02 -0.62 0.23 0.00 0.00 176.35 174.88 1d4y s ASP 25 N 2.11 4.36 0.00 2.29 3.68 -0.36 -4.81 116.67 123.94 1d4y s ASP 25 Ca 0.44 -1.62 0.21 0.00 2.13 0.00 0.00 52.55 53.71 1d4y s ASP 25 Cb -0.10 -1.41 0.98 0.00 -1.45 0.00 0.00 42.92 40.94 1d4y s ASP 25 CO 0.24 -0.29 1.69 0.35 0.13 0.00 0.00 175.17 177.29 1d4y n THR 26 N 4.47 0.46 0.63 1.71 -2.24 -1.26 -2.28 114.28 115.78 1d4y n THR 26 Ca -0.06 0.12 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 1d4y n THR 26 Cb 0.43 -0.75 0.14 0.00 -2.10 0.00 0.00 70.33 68.04 1d4y n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d4y n GLY 27 N 0.64 -1.33 3.75 3.38 0.00 -1.26 -4.81 105.19 105.55 1d4y n GLY 27 Ca 0.07 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 1d4y n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d4y s ALA 28 N -3.15 3.50 0.10 4.61 0.00 -0.97 -4.95 121.76 120.90 1d4y s ALA 28 Ca 0.06 -0.09 -0.09 0.00 0.00 0.00 0.00 51.96 51.84 1d4y s ALA 28 Cb 0.14 -2.67 -0.18 0.00 0.00 0.00 0.00 23.12 20.41 1d4y s ALA 28 CO 0.74 0.11 1.23 -0.44 0.00 0.00 0.00 175.76 177.40 1d4y h ASP 29 N 6.09 0.72 -1.93 0.00 3.45 -1.89 -0.33 116.42 122.53 1d4y h ASP 29 Ca -0.44 -0.59 -0.56 0.00 0.43 0.00 0.00 57.03 55.87 1d4y h ASP 29 Cb 1.19 -0.22 -0.09 0.00 -0.56 0.00 0.00 39.33 39.65 1d4y h ASP 29 CO 0.72 1.39 -0.58 -1.81 -1.57 0.00 0.00 179.24 177.39 1d4y s ASP 30 N -7.21 4.47 -0.22 6.45 1.01 -1.26 -2.80 116.67 117.12 1d4y s ASP 30 Ca -0.08 -0.85 -0.11 0.00 0.71 0.00 0.00 52.55 52.23 1d4y s ASP 30 Cb 0.08 -0.66 -0.05 0.00 1.01 0.00 0.00 42.92 43.30 1d4y s ASP 30 CO 0.90 -0.25 0.18 -0.89 0.21 0.00 0.00 175.17 175.32 1d4y s THR 31 N -2.45 5.36 -0.08 -1.27 2.01 -1.26 -3.40 115.64 114.55 1d4y s THR 31 Ca 0.36 0.26 0.01 0.00 0.31 0.00 0.00 61.69 62.63 1d4y s THR 31 Cb -0.02 -3.52 0.02 0.00 0.01 0.00 0.00 72.50 68.99 1d4y s THR 31 CO 0.21 0.37 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.72 1d4y s VAL 32 N 0.79 1.08 0.09 3.82 1.01 -0.16 -1.53 120.40 125.50 1d4y s VAL 32 Ca 0.09 -0.41 0.10 0.00 0.00 0.00 0.00 61.98 61.76 1d4y s VAL 32 Cb -0.13 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 1d4y s VAL 32 CO 0.03 0.35 -0.25 -0.63 0.00 0.00 0.00 175.10 174.60 1d4y s ILE 33 N 0.97 2.06 0.71 2.22 -1.09 0.17 0.02 121.20 126.26 1d4y s ILE 33 Ca -0.09 -1.53 -0.16 0.00 -2.23 0.00 0.00 60.65 56.64 1d4y s ILE 33 Cb -0.15 -1.80 0.01 0.00 -1.58 0.00 0.00 42.46 38.94 1d4y s ILE 33 CO 0.00 0.17 1.13 -1.84 -1.23 0.00 0.00 174.94 173.17 1d4y n GLU 34 N 1.34 0.67 -1.63 2.79 0.28 -1.26 -1.69 120.64 121.14 1d4y n GLU 34 Ca -0.18 0.29 -0.55 0.00 -0.16 0.00 0.00 57.16 56.57 1d4y n GLU 34 Cb 0.53 -2.37 -0.07 0.00 1.43 0.00 0.00 31.44 30.96 1d4y n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1d4y n GLU 35 N -2.14 1.07 -3.65 3.44 -0.58 -1.10 -4.60 120.64 113.09 1d4y n GLU 35 Ca 0.14 0.39 -0.08 0.00 -0.42 0.00 0.00 57.16 57.19 1d4y n GLU 35 Cb 0.49 -2.03 -0.02 0.00 -0.57 0.00 0.00 31.44 29.31 1d4y n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1d4y s MET 36 N 1.52 1.33 -0.12 3.49 0.23 -1.26 -5.02 119.30 119.46 1d4y s MET 36 Ca 0.90 -0.64 -0.22 0.00 -1.03 0.00 0.00 55.69 54.70 1d4y s MET 36 Cb -1.02 0.51 -0.03 0.00 -1.53 0.00 0.00 34.83 32.76 1d4y s MET 36 CO 0.54 -0.60 0.64 0.45 -2.03 0.00 0.00 175.02 174.03 1d4y s SER 37 N -2.80 6.83 0.08 -1.18 0.15 -1.26 -5.05 113.70 110.48 1d4y s SER 37 Ca 0.07 1.01 0.07 0.00 0.70 0.00 0.00 55.95 57.80 1d4y s SER 37 Cb -0.03 -2.37 -0.03 0.00 -1.71 0.00 0.00 66.02 61.88 1d4y s SER 37 CO -0.03 -0.15 -0.18 -0.76 1.20 0.00 0.00 173.24 173.32 1d4y s LEU 38 N 1.16 2.27 0.38 3.45 1.43 -1.26 -4.97 118.68 121.14 1d4y s LEU 38 Ca 0.33 -0.63 -0.10 0.00 -1.03 0.00 0.00 54.13 52.69 1d4y s LEU 38 Cb -0.17 -0.76 -0.06 0.00 0.03 0.00 0.00 46.19 45.23 1d4y s LEU 38 CO 0.14 0.03 0.73 -2.16 0.23 0.00 0.00 176.35 175.31 1d4y s PRO 39 N -1.74 3.77 0.00 1.29 0.04 -1.26 -4.99 135.00 132.12 1d4y s PRO 39 Ca 0.04 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.48 1d4y s PRO 39 Cb -0.10 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 32.00 1d4y s PRO 39 CO 0.03 0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.51 1d4y n GLY 40 N -1.13 1.94 3.86 0.56 0.00 -1.26 -5.01 105.19 104.14 1d4y n GLY 40 Ca 0.02 -2.11 -0.31 0.00 0.00 0.00 0.00 46.02 43.62 1d4y n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d4y s ARG 41 N -1.90 3.92 0.25 1.61 1.81 -1.26 -5.08 118.95 118.30 1d4y s ARG 41 Ca 0.00 0.70 0.02 0.00 -1.72 0.00 0.00 55.73 54.73 1d4y s ARG 41 Cb 0.00 -2.31 -0.05 0.00 -0.45 0.00 0.00 34.95 32.14 1d4y s ARG 41 CO 0.00 -0.05 0.07 1.67 -0.68 0.00 0.00 175.30 176.30 1d4y s TRP 42 N -2.33 1.52 -0.01 -0.53 1.48 -1.26 -4.61 118.94 113.19 1d4y s TRP 42 Ca 0.55 -1.11 0.03 0.00 -1.06 0.00 0.00 56.10 54.52 1d4y s TRP 42 Cb -0.10 -0.90 -0.01 0.00 -1.16 0.00 0.00 33.47 31.31 1d4y s TRP 42 CO 0.26 -0.25 -0.11 -1.59 -4.06 0.00 0.00 176.95 171.20 1d4y s LYS 43 N -3.98 0.92 0.44 3.25 -2.85 -1.00 -4.89 119.74 111.63 1d4y s LYS 43 Ca 0.34 -0.41 -0.23 0.00 -1.00 0.00 0.00 55.97 54.68 1d4y s LYS 43 Cb 0.07 -0.89 -0.08 0.00 -2.06 0.00 0.00 37.83 34.87 1d4y s LYS 43 CO 0.12 0.24 1.07 -1.25 0.10 0.00 0.00 175.35 175.63 1d4y s PRO 44 N -0.26 3.95 0.14 1.78 0.04 -1.26 -0.79 135.00 138.60 1d4y s PRO 44 Ca 0.04 1.53 -0.08 0.00 0.04 0.00 0.00 61.00 62.53 1d4y s PRO 44 Cb -0.04 -2.38 -0.01 0.00 0.04 0.00 0.00 34.50 32.11 1d4y s PRO 44 CO -0.00 -0.33 0.23 0.21 0.04 0.00 0.00 177.00 177.15 1d4y s LYS 45 N -2.76 1.04 -0.11 4.56 2.20 -0.52 -4.89 119.74 119.26 1d4y s LYS 45 Ca 0.62 -1.12 0.03 0.00 -0.36 0.00 0.00 55.97 55.14 1d4y s LYS 45 Cb -0.22 0.36 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 1d4y s LYS 45 CO 0.27 -0.36 -0.23 -1.64 -0.36 0.00 0.00 175.35 173.03 1d4y s MET 46 N -3.94 3.07 0.02 4.03 -1.94 -1.26 -1.13 119.30 118.14 1d4y s MET 46 Ca 0.14 -0.86 0.08 0.00 -1.71 0.00 0.00 55.69 53.33 1d4y s MET 46 Cb 0.04 -2.35 -0.02 0.00 2.01 0.00 0.00 34.83 34.51 1d4y s MET 46 CO -0.04 0.14 -0.23 0.96 -0.01 0.00 0.00 175.02 175.85 1d4y s ILE 47 N 0.44 1.84 0.06 2.53 -4.36 -0.55 -4.94 121.20 116.22 1d4y s ILE 47 Ca -0.16 -1.14 -0.04 0.00 -0.26 0.00 0.00 60.65 59.05 1d4y s ILE 47 Cb -0.17 -1.56 -0.05 0.00 1.25 0.00 0.00 42.46 41.93 1d4y s ILE 47 CO 0.07 0.38 0.28 -0.83 0.24 0.00 0.00 174.94 175.08 1d4y s GLY 48 N -0.90 2.23 0.00 6.27 0.00 -1.26 -1.14 107.32 112.51 1d4y s GLY 48 Ca 0.09 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.17 1d4y s GLY 48 CO 0.01 -0.54 0.00 0.61 0.00 0.00 0.00 173.10 173.18 1d4y n GLY 49 N 0.57 3.74 3.72 0.20 0.00 0.07 -4.98 105.19 108.51 1d4y n GLY 49 Ca -0.07 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 1d4y n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1d4y s ILE 50 N -2.22 3.94 0.00 -0.61 -1.09 -1.26 -2.50 121.20 117.46 1d4y s ILE 50 Ca 0.00 1.46 0.00 0.00 -2.23 0.00 0.00 60.65 59.88 1d4y s ILE 50 Cb 0.00 -3.93 0.00 0.00 -1.58 0.00 0.00 42.46 36.95 1d4y s ILE 50 CO 0.00 0.15 0.00 0.61 -1.23 0.00 0.00 174.94 174.47 1d4y n GLY 51 N 2.92 2.59 0.00 6.18 0.00 -1.26 -4.96 105.19 110.66 1d4y n GLY 51 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1d4y n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d4y n GLY 52 N -1.69 0.52 3.70 -0.02 0.00 -1.04 -5.08 105.19 101.57 1d4y n GLY 52 Ca 0.00 -2.17 -0.25 0.00 0.00 0.00 0.00 46.02 43.61 1d4y n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1d4y s PHE 53 N -0.43 2.87 0.06 1.61 0.08 -1.26 -0.75 117.98 120.15 1d4y s PHE 53 Ca 0.00 -0.15 0.04 0.00 0.12 0.00 0.00 56.93 56.94 1d4y s PHE 53 Cb 0.00 -1.34 -0.03 0.00 -0.57 0.00 0.00 43.02 41.09 1d4y s PHE 53 CO 0.00 0.55 -0.12 0.96 -0.10 0.00 0.00 175.22 176.51 1d4y s ILE 54 N -1.98 0.88 -0.11 0.64 -4.36 -0.29 -4.95 121.20 111.02 1d4y s ILE 54 Ca 0.30 -1.20 -0.19 0.00 -0.26 0.00 0.00 60.65 59.29 1d4y s ILE 54 Cb -0.08 -0.88 -0.04 0.00 1.25 0.00 0.00 42.46 42.71 1d4y s ILE 54 CO 0.20 -0.28 0.52 -0.75 0.24 0.00 0.00 174.94 174.88 1d4y s LYS 55 N -1.66 4.35 0.23 0.37 2.20 -1.26 -1.48 119.74 122.49 1d4y s LYS 55 Ca -0.05 0.54 0.03 0.00 -0.36 0.00 0.00 55.97 56.12 1d4y s LYS 55 Cb -0.10 -3.45 -0.05 0.00 -1.51 0.00 0.00 37.83 32.72 1d4y s LYS 55 CO 0.01 0.12 0.01 0.14 -0.36 0.00 0.00 175.35 175.28 1d4y s VAL 56 N 0.72 0.91 -0.17 4.02 -7.23 -0.28 -4.49 120.40 113.88 1d4y s VAL 56 Ca 0.28 -2.02 -0.06 0.00 -1.81 0.00 0.00 61.98 58.38 1d4y s VAL 56 Cb -0.16 -2.36 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 1d4y s VAL 56 CO 0.12 -0.30 0.01 -0.13 -0.31 0.00 0.00 175.10 174.49 1d4y s ARG 57 N -3.90 3.82 -0.32 4.82 0.52 0.15 -1.43 118.95 122.61 1d4y s ARG 57 Ca 0.29 -0.43 -0.18 0.00 -0.52 0.00 0.00 55.73 54.88 1d4y s ARG 57 Cb 0.06 -3.07 -0.01 0.00 0.52 0.00 0.00 34.95 32.45 1d4y s ARG 57 CO 0.09 0.25 0.54 -1.14 0.02 0.00 0.00 175.30 175.05 1d4y s GLN 58 N 0.39 3.80 -0.12 3.54 0.74 0.03 -0.60 119.66 127.44 1d4y s GLN 58 Ca -0.00 0.06 -0.03 0.00 0.05 0.00 0.00 55.36 55.44 1d4y s GLN 58 Cb -0.13 -3.75 -0.03 0.00 1.10 0.00 0.00 33.01 30.20 1d4y s GLN 58 CO 0.02 -0.55 -0.01 0.71 -0.55 0.00 0.00 175.29 174.90 1d4y s TYR 59 N 2.42 3.10 0.30 1.67 1.51 0.14 -2.36 117.35 124.14 1d4y s TYR 59 Ca 0.21 0.01 0.07 0.00 -1.01 0.00 0.00 57.07 56.35 1d4y s TYR 59 Cb -0.15 -1.86 -0.03 0.00 -0.11 0.00 0.00 41.96 39.81 1d4y s TYR 59 CO 0.12 0.27 0.27 -0.51 -1.11 0.00 0.00 175.55 174.59 1d4y s ASP 60 N -0.36 5.44 -1.24 2.29 -0.00 -1.26 -1.29 116.67 120.25 1d4y s ASP 60 Ca 0.07 -0.38 -0.02 0.00 -0.00 0.00 0.00 52.55 52.22 1d4y s ASP 60 Cb -0.12 -1.16 -0.01 0.00 -0.00 0.00 0.00 42.92 41.63 1d4y s ASP 60 CO 0.02 -0.24 0.83 0.00 -0.00 0.00 0.00 175.17 175.78 1d4y n GLN 61 N -1.33 -5.08 -4.11 8.23 6.02 -1.13 -4.92 117.38 115.06 1d4y n GLN 61 Ca -0.04 0.71 -0.31 0.00 -0.01 0.00 0.00 57.00 57.35 1d4y n GLN 61 Cb 0.59 -5.42 -0.07 0.00 1.02 0.00 0.00 30.24 26.35 1d4y n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1d4y s ILE 62 N -3.53 4.43 -0.21 5.09 -1.09 0.10 -4.83 121.20 121.16 1d4y s ILE 62 Ca 0.06 -0.70 -0.10 0.00 -2.23 0.00 0.00 60.65 57.69 1d4y s ILE 62 Cb -0.01 -3.08 -0.05 0.00 -1.58 0.00 0.00 42.46 37.73 1d4y s ILE 62 CO 0.78 0.21 0.13 -0.63 -1.23 0.00 0.00 174.94 174.20 1d4y s ILE 63 N -1.29 5.27 0.07 2.92 1.01 -1.26 -1.47 121.20 126.45 1d4y s ILE 63 Ca 0.26 0.14 0.06 0.00 0.00 0.00 0.00 60.65 61.12 1d4y s ILE 63 Cb -0.12 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 1d4y s ILE 63 CO 0.18 0.41 -0.18 -0.63 0.00 0.00 0.00 174.94 174.72 1d4y s ILE 64 N 0.64 1.41 -0.30 2.92 1.01 -0.40 -4.60 121.20 121.87 1d4y s ILE 64 Ca 0.07 -1.32 -0.06 0.00 0.00 0.00 0.00 60.65 59.34 1d4y s ILE 64 Cb -0.12 -1.29 0.02 0.00 0.01 0.00 0.00 42.46 41.08 1d4y s ILE 64 CO 0.01 -0.06 0.06 -1.61 0.00 0.00 0.00 174.94 173.34 1d4y s GLU 65 N -1.61 2.90 -0.43 2.79 2.02 -0.67 -1.10 118.70 122.60 1d4y s GLU 65 Ca 0.03 -0.98 -0.09 0.00 0.02 0.00 0.00 54.97 53.95 1d4y s GLU 65 Cb -0.09 -3.33 0.09 0.00 0.10 0.00 0.00 34.13 30.89 1d4y s GLU 65 CO 0.03 -0.50 0.27 0.42 0.02 0.00 0.00 175.26 175.49 1d4y s ILE 66 N 1.44 4.18 -1.27 -1.63 1.01 0.26 -1.05 121.20 124.14 1d4y s ILE 66 Ca 0.01 -1.48 -0.01 0.00 0.00 0.00 0.00 60.65 59.17 1d4y s ILE 66 Cb -0.18 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.70 1d4y s ILE 66 CO 0.01 -0.55 0.87 0.00 0.00 0.00 0.00 174.94 175.28 1d4y n GLY 68 N -1.39 0.43 3.74 0.00 0.00 -1.26 -4.98 105.19 101.73 1d4y n GLY 68 Ca -0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1d4y n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1d4y s HIS 69 N -2.21 3.38 0.10 1.61 4.02 0.15 -5.06 115.29 117.28 1d4y s HIS 69 Ca 0.00 0.29 -0.24 0.00 1.02 0.00 0.00 55.06 56.13 1d4y s HIS 69 Cb 0.00 -2.02 -0.07 0.00 -1.02 0.00 0.00 32.58 29.47 1d4y s HIS 69 CO 0.00 0.41 0.72 0.21 1.02 0.00 0.00 174.74 177.10 1d4y s LYS 70 N -0.22 4.46 0.04 1.40 2.36 -1.26 0.88 119.74 127.41 1d4y s LYS 70 Ca 0.09 1.02 -0.11 0.00 -2.55 0.00 0.00 55.97 54.42 1d4y s LYS 70 Cb -0.12 -3.29 0.01 0.00 -1.05 0.00 0.00 37.83 33.38 1d4y s LYS 70 CO 0.01 0.48 0.24 0.00 1.55 0.00 0.00 175.35 177.63 1d4y s ALA 71 N -0.75 -0.49 0.03 3.13 0.00 -0.26 -4.85 121.76 118.57 1d4y s ALA 71 Ca 0.35 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.17 1d4y s ALA 71 Cb -0.21 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 1d4y s ALA 71 CO 0.23 -0.39 -0.10 -1.50 0.00 0.00 0.00 175.76 174.00 1d4y s ILE 72 N -2.62 0.77 -3.09 0.00 -1.16 -1.26 -1.28 121.20 112.56 1d4y s ILE 72 Ca -0.05 -0.83 0.00 0.00 -0.51 0.00 0.00 60.65 59.27 1d4y s ILE 72 Cb -0.01 -0.73 0.00 0.00 0.61 0.00 0.00 42.46 42.34 1d4y s ILE 72 CO -0.04 -0.08 0.00 0.61 -2.81 0.00 0.00 174.94 172.62 1d4y n GLY 73 N 2.04 -0.97 3.75 1.50 0.00 -0.54 -4.93 105.19 106.03 1d4y n GLY 73 Ca -0.18 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.44 1d4y n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1d4y s THR 74 N -3.00 4.30 -0.05 2.61 2.01 -1.26 -0.72 115.64 119.52 1d4y s THR 74 Ca 0.00 2.00 0.02 0.00 0.31 0.00 0.00 61.69 64.02 1d4y s THR 74 Cb 0.00 -4.29 0.01 0.00 0.01 0.00 0.00 72.50 68.23 1d4y s THR 74 CO 0.00 0.43 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.56 1d4y s VAL 75 N -0.71 1.07 -0.15 3.82 1.01 -0.41 -4.48 120.40 120.54 1d4y s VAL 75 Ca 0.42 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 1d4y s VAL 75 Cb -0.24 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1d4y s VAL 75 CO 0.30 0.34 0.04 -0.76 0.00 0.00 0.00 175.10 175.01 1d4y s LEU 76 N 0.53 3.73 -0.17 3.92 1.43 -0.58 0.23 118.68 127.77 1d4y s LEU 76 Ca -0.11 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1d4y s LEU 76 Cb -0.14 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.17 1d4y s LEU 76 CO 0.03 0.24 -0.16 -0.69 0.23 0.00 0.00 176.35 175.99 1d4y s VAL 77 N -0.03 2.48 0.00 -1.59 1.01 0.23 -0.65 120.40 121.84 1d4y s VAL 77 Ca 0.05 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1d4y s VAL 77 Cb -0.12 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.21 1d4y s VAL 77 CO 0.01 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1d4y n GLY 78 N 4.32 1.00 2.35 4.51 0.00 -0.68 0.31 105.19 117.01 1d4y n GLY 78 Ca -0.20 -0.86 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 1d4y n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1d4y n PRO 79 N 0.00 3.38 -3.43 1.61 -0.04 -1.26 -2.71 135.00 132.55 1d4y n PRO 79 Ca 0.00 -2.04 -0.38 0.00 -0.04 0.00 0.00 63.50 61.04 1d4y n PRO 79 Cb 0.00 -2.72 -0.06 0.00 -0.04 0.00 0.00 33.50 30.68 1d4y n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1d4y s THR 80 N 2.35 4.94 0.38 0.52 -1.32 -1.26 -4.98 115.64 116.27 1d4y s THR 80 Ca 0.65 0.92 0.30 0.00 -1.21 0.00 0.00 61.69 62.34 1d4y s THR 80 Cb 0.17 -3.76 0.32 0.00 -1.51 0.00 0.00 72.50 67.72 1d4y s THR 80 CO -0.05 0.52 2.07 1.55 -2.21 0.00 0.00 174.62 176.50 1d4y h PRO 81 N 4.48 0.00 -3.14 7.08 0.13 -1.98 -3.44 132.00 135.13 1d4y h PRO 81 Ca -0.51 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.50 1d4y h PRO 81 Cb 1.21 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.14 1d4y h PRO 81 CO 0.63 0.10 -0.33 0.54 -0.23 0.00 0.00 178.00 178.70 1d4y s VAL 82 N -4.08 0.06 -0.04 1.56 0.11 -1.26 -5.10 120.40 111.65 1d4y s VAL 82 Ca -0.02 -0.48 -0.30 0.00 -2.93 0.00 0.00 61.98 58.24 1d4y s VAL 82 Cb 0.12 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.38 1d4y s VAL 82 CO 0.56 -0.27 1.19 0.20 -3.33 0.00 0.00 175.10 173.46 1d4y s ASN 83 N -1.21 7.07 -0.09 3.54 0.01 -1.26 -4.74 114.94 118.25 1d4y s ASN 83 Ca -0.13 1.83 0.04 0.00 -0.71 0.00 0.00 52.86 53.89 1d4y s ASN 83 Cb -0.05 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.05 1d4y s ASN 83 CO 0.03 -0.55 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.23 1d4y s ILE 84 N 1.98 1.88 -0.33 0.60 1.01 0.10 -0.99 121.20 125.45 1d4y s ILE 84 Ca 0.56 -0.92 -0.14 0.00 0.00 0.00 0.00 60.65 60.15 1d4y s ILE 84 Cb -0.25 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.57 1d4y s ILE 84 CO 0.23 0.52 0.31 -0.63 0.00 0.00 0.00 174.94 175.38 1d4y s ILE 85 N 0.38 5.21 0.38 2.92 -1.09 0.08 -0.99 121.20 128.10 1d4y s ILE 85 Ca -0.17 0.01 0.05 0.00 -2.23 0.00 0.00 60.65 58.31 1d4y s ILE 85 Cb -0.17 -3.76 0.06 0.00 -1.58 0.00 0.00 42.46 37.01 1d4y s ILE 85 CO 0.08 -0.03 0.52 0.61 -1.23 0.00 0.00 174.94 174.89 1d4y n GLY 86 N 4.99 1.81 0.37 6.18 0.00 -1.22 -1.23 105.19 116.10 1d4y n GLY 86 Ca -0.10 -2.17 0.15 0.00 0.00 0.00 0.00 46.02 43.89 1d4y n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1d4y h ARG 87 N 0.00 0.42 -0.82 1.61 3.08 -1.11 -1.95 114.38 115.61 1d4y h ARG 87 Ca -0.17 -0.03 0.20 0.00 0.07 0.00 0.00 59.98 60.05 1d4y h ARG 87 Cb 0.79 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.69 1d4y h ARG 87 CO 0.24 0.28 0.56 -2.95 -1.07 0.00 0.00 179.97 177.03 1d4y h ASN 88 N 0.43 0.22 0.00 7.04 -1.07 -1.78 -1.69 115.58 118.74 1d4y h ASN 88 Ca 0.36 0.02 -0.13 0.00 0.07 0.00 0.00 56.30 56.62 1d4y h ASN 88 Cb 0.79 -0.02 -0.03 0.00 -2.07 0.00 0.00 38.32 36.99 1d4y h ASN 88 CO -0.11 0.10 -1.72 0.18 0.07 0.00 0.00 177.43 175.94 1d4y n LEU 89 N -4.42 0.00 0.08 6.14 4.77 -0.89 -4.42 117.00 118.25 1d4y n LEU 89 Ca 0.17 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1d4y n LEU 89 Cb 0.73 0.18 0.30 0.00 -2.33 0.00 0.00 43.42 42.30 1d4y n LEU 89 CO 0.34 0.18 0.81 -0.07 -1.33 0.00 0.00 177.39 177.32 1d4y h LEU 90 N 0.00 0.31 -0.51 2.23 3.38 -0.92 -2.51 115.31 117.30 1d4y h LEU 90 Ca -0.20 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 1d4y h LEU 90 Cb 1.29 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1d4y h LEU 90 CO 0.01 0.53 0.13 0.71 0.09 0.00 0.00 178.44 179.91 1d4y h THR 91 N 0.30 1.24 -0.01 0.22 1.35 -1.55 -1.15 112.91 113.30 1d4y h THR 91 Ca 0.05 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 1d4y h THR 91 Cb 0.53 0.81 -0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1d4y h THR 91 CO 0.03 0.31 0.02 1.56 -0.25 0.00 0.00 175.52 177.19 1d4y h GLN 92 N 0.71 0.00 -0.14 4.72 1.08 -1.66 0.18 115.11 119.99 1d4y h GLN 92 Ca 0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 1d4y h GLN 92 Cb 0.32 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1d4y h GLN 92 CO 0.00 0.00 0.00 0.44 -0.95 0.00 0.00 178.83 178.32 1d4y n ILE 93 N -3.83 0.17 -1.37 2.54 -5.35 -1.13 -4.94 119.36 105.46 1d4y n ILE 93 Ca -0.03 -0.48 -0.02 0.00 -0.27 0.00 0.00 62.75 61.95 1d4y n ILE 93 Cb 0.10 0.96 -0.01 0.00 -1.74 0.00 0.00 39.64 38.95 1d4y n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1d4y n GLY 94 N 1.32 0.47 3.74 3.28 0.00 0.05 -5.01 105.19 109.03 1d4y n GLY 94 Ca 0.17 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 1d4y n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d4y s THR 96 N -0.17 0.80 -0.23 0.00 -4.23 -1.26 -4.69 115.64 105.87 1d4y s THR 96 Ca 0.50 -1.99 -0.07 0.00 -1.18 0.00 0.00 61.69 58.95 1d4y s THR 96 Cb -0.30 -2.07 -0.03 0.00 1.34 0.00 0.00 72.50 71.45 1d4y s THR 96 CO 0.35 -0.54 0.05 -0.22 -0.54 0.00 0.00 174.62 173.73 1d4y s LEU 97 N -3.18 3.46 -0.06 4.79 2.96 -1.26 -5.08 118.68 120.32 1d4y s LEU 97 Ca 0.22 -0.15 0.04 0.00 -0.22 0.00 0.00 54.13 54.02 1d4y s LEU 97 Cb 0.05 -1.91 0.00 0.00 0.50 0.00 0.00 46.19 44.84 1d4y s LEU 97 CO 0.03 0.03 -0.18 0.20 -1.32 0.00 0.00 176.35 175.11 1d4y s ASN 98 N 1.25 2.35 0.00 3.68 -0.87 -1.26 -5.30 114.94 114.79 1d4y s ASN 98 Ca 0.04 -0.40 0.00 0.00 -1.57 0.00 0.00 52.86 50.94 1d4y s ASN 98 Cb -0.15 -0.83 0.00 0.00 -0.02 0.00 0.00 41.25 40.25 1d4y s ASN 98 CO 0.03 0.14 0.00 2.22 -2.57 0.00 0.00 177.10 176.92