#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a1e s GLN 2 N 0.00 3.00 -0.23 0.54 0.74 -1.26 -5.09 119.66 117.36 2a1e s GLN 2 Ca 0.00 -0.89 -0.06 0.00 0.05 0.00 0.00 55.36 54.46 2a1e s GLN 2 Cb 0.00 -3.18 -0.02 0.00 1.10 0.00 0.00 33.01 30.91 2a1e s GLN 2 CO 0.00 -0.41 0.04 0.42 -0.55 0.00 0.00 175.29 174.79 2a1e s ILE 3 N 1.42 4.09 0.74 -2.34 1.01 -1.26 -5.09 121.20 119.77 2a1e s ILE 3 Ca 0.02 -0.25 -0.06 0.00 0.00 0.00 0.00 60.65 60.36 2a1e s ILE 3 Cb -0.17 -2.89 0.10 0.00 0.01 0.00 0.00 42.46 39.52 2a1e s ILE 3 CO -0.01 0.38 1.04 0.42 0.00 0.00 0.00 174.94 176.76 2a1e s THR 4 N 1.42 2.23 -0.09 2.92 -4.23 -1.26 -5.02 115.64 111.61 2a1e s THR 4 Ca 0.05 -0.36 0.13 0.00 -1.18 0.00 0.00 61.69 60.33 2a1e s THR 4 Cb -0.15 -2.86 0.20 0.00 1.34 0.00 0.00 72.50 71.03 2a1e s THR 4 CO 0.02 0.00 1.10 0.18 -0.54 0.00 0.00 174.62 175.38 2a1e n LEU 5 N -2.98 2.18 0.21 4.79 4.77 -1.26 -4.58 117.00 120.13 2a1e n LEU 5 Ca 0.11 -2.72 0.05 0.00 -0.03 0.00 0.00 56.01 53.42 2a1e n LEU 5 Cb 0.60 -0.30 0.47 0.00 -2.33 0.00 0.00 43.42 41.86 2a1e n LEU 5 CO 0.47 0.64 0.87 -0.50 -1.33 0.00 0.00 177.39 177.54 2a1e h TRP 6 N 0.00 0.02 -2.01 -1.77 4.06 -2.05 -3.42 115.95 110.77 2a1e h TRP 6 Ca 0.00 -0.00 -0.59 0.00 2.06 0.00 0.00 58.89 60.36 2a1e h TRP 6 Cb 0.88 -0.01 -0.11 0.00 -1.00 0.00 0.00 29.16 28.92 2a1e h TRP 6 CO 0.00 0.22 -0.65 0.15 -3.56 0.00 0.00 178.44 174.61 2a1e s LYS 7 N -4.58 2.02 0.32 0.49 1.02 -1.26 -5.10 119.74 112.65 2a1e s LYS 7 Ca -0.04 -1.72 -0.29 0.00 0.02 0.00 0.00 55.97 53.94 2a1e s LYS 7 Cb 0.16 -1.92 -0.12 0.00 -0.52 0.00 0.00 37.83 35.43 2a1e s LYS 7 CO 0.70 0.20 1.53 0.54 -0.92 0.00 0.00 175.35 177.41 2a1e n ARG 8 N -0.88 2.61 -1.89 1.68 1.74 -1.26 -4.85 116.66 113.81 2a1e n ARG 8 Ca -0.05 0.92 -0.42 0.00 -0.77 0.00 0.00 57.85 57.53 2a1e n ARG 8 Cb 0.62 -2.67 0.00 0.00 -1.02 0.00 0.00 32.46 29.39 2a1e n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2a1e n PRO 9 N 1.53 2.93 -3.35 5.56 -0.04 -1.26 -4.91 135.00 135.46 2a1e n PRO 9 Ca 0.06 -2.75 -0.38 0.00 -0.04 0.00 0.00 63.50 60.40 2a1e n PRO 9 Cb 0.37 -3.31 -0.06 0.00 -0.04 0.00 0.00 33.50 30.45 2a1e n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2a1e s LEU 10 N 2.45 4.25 0.27 1.53 1.43 -1.26 -0.58 118.68 126.77 2a1e s LEU 10 Ca 0.48 0.73 0.04 0.00 -1.03 0.00 0.00 54.13 54.35 2a1e s LEU 10 Cb 0.12 -2.63 -0.06 0.00 0.03 0.00 0.00 46.19 43.66 2a1e s LEU 10 CO -0.06 0.00 0.00 0.68 0.23 0.00 0.00 176.35 177.21 2a1e s VAL 11 N 0.70 1.20 0.08 -1.59 -7.23 0.12 -4.93 120.40 108.75 2a1e s VAL 11 Ca 0.24 -2.04 -0.25 0.00 -1.81 0.00 0.00 61.98 58.12 2a1e s VAL 11 Cb -0.15 -2.50 -0.06 0.00 0.56 0.00 0.00 36.38 34.23 2a1e s VAL 11 CO 0.09 -0.22 0.75 -0.89 -0.31 0.00 0.00 175.10 174.52 2a1e s THR 12 N -3.30 4.63 0.34 5.32 2.01 -1.26 -0.87 115.64 122.51 2a1e s THR 12 Ca 0.31 1.62 0.09 0.00 0.31 0.00 0.00 61.69 64.02 2a1e s THR 12 Cb 0.06 -4.11 -0.06 0.00 0.01 0.00 0.00 72.50 68.40 2a1e s THR 12 CO 0.11 0.42 -0.07 0.27 -0.69 0.00 0.00 174.62 174.66 2a1e s ILE 13 N -0.42 2.34 -0.07 1.82 -4.36 0.11 -1.05 121.20 119.56 2a1e s ILE 13 Ca 0.37 -2.16 0.00 0.00 -0.26 0.00 0.00 60.65 58.61 2a1e s ILE 13 Cb -0.21 -2.67 0.02 0.00 1.25 0.00 0.00 42.46 40.85 2a1e s ILE 13 CO 0.23 -0.21 -0.05 -0.75 0.24 0.00 0.00 174.94 174.40 2a1e s LYS 14 N -3.63 1.11 -0.09 0.37 2.20 0.13 -1.30 119.74 118.52 2a1e s LYS 14 Ca 0.33 -0.14 -0.07 0.00 -0.36 0.00 0.00 55.97 55.73 2a1e s LYS 14 Cb 0.02 -1.17 0.03 0.00 -1.51 0.00 0.00 37.83 35.20 2a1e s LYS 14 CO 0.17 -0.17 0.23 -1.50 -0.36 0.00 0.00 175.35 173.72 2a1e s ILE 15 N 1.35 -0.02 -1.86 5.43 2.07 -0.38 -1.00 121.20 126.80 2a1e s ILE 15 Ca -0.03 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.27 2a1e s ILE 15 Cb -0.14 -0.34 0.00 0.00 0.13 0.00 0.00 42.46 42.11 2a1e s ILE 15 CO -0.03 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 2a1e n GLY 16 N 3.48 0.72 2.41 1.50 0.00 -1.26 -1.14 105.19 110.90 2a1e n GLY 16 Ca -0.18 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2a1e n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a1e n GLY 17 N -0.81 1.08 3.50 -0.02 0.00 -1.26 -5.01 105.19 102.68 2a1e n GLY 17 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 2a1e n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2a1e s GLN 18 N -0.20 2.62 0.09 1.61 -0.21 -0.29 -5.10 119.66 118.19 2a1e s GLN 18 Ca 0.00 -0.65 -0.24 0.00 0.02 0.00 0.00 55.36 54.49 2a1e s GLN 18 Cb 0.00 -2.45 -0.06 0.00 1.00 0.00 0.00 33.01 31.49 2a1e s GLN 18 CO 0.00 0.61 0.74 -0.51 -2.12 0.00 0.00 175.29 174.01 2a1e s LEU 19 N -0.69 4.51 0.07 2.90 1.43 -1.26 -1.25 118.68 124.39 2a1e s LEU 19 Ca 0.10 1.48 -0.01 0.00 -1.03 0.00 0.00 54.13 54.68 2a1e s LEU 19 Cb -0.11 -3.20 -0.04 0.00 0.03 0.00 0.00 46.19 42.87 2a1e s LEU 19 CO 0.01 0.12 -0.01 -0.54 0.23 0.00 0.00 176.35 176.16 2a1e s LYS 20 N -0.57 0.71 -0.05 1.70 1.02 -0.42 -4.98 119.74 117.15 2a1e s LYS 20 Ca 0.36 -1.29 -0.10 0.00 0.02 0.00 0.00 55.97 54.97 2a1e s LYS 20 Cb -0.21 0.20 -0.05 0.00 -0.52 0.00 0.00 37.83 37.25 2a1e s LYS 20 CO 0.23 -0.15 0.26 -2.00 -0.92 0.00 0.00 175.35 172.78 2a1e s GLU 21 N -3.95 3.64 0.06 1.68 2.12 -1.26 0.08 118.70 121.06 2a1e s GLU 21 Ca 0.12 0.08 -0.11 0.00 0.36 0.00 0.00 54.97 55.42 2a1e s GLU 21 Cb 0.08 -3.18 0.01 0.00 0.26 0.00 0.00 34.13 31.30 2a1e s GLU 21 CO -0.06 0.72 0.25 0.00 -0.54 0.00 0.00 175.26 175.63 2a1e s ALA 22 N -1.10 -0.50 -0.16 6.30 0.00 -0.05 -4.43 121.76 121.82 2a1e s ALA 22 Ca 0.21 -0.22 -0.15 0.00 0.00 0.00 0.00 51.96 51.79 2a1e s ALA 22 Cb -0.14 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 2a1e s ALA 22 CO 0.10 -0.43 0.35 -1.17 0.00 0.00 0.00 175.76 174.61 2a1e s LEU 23 N -2.28 4.23 -0.38 0.00 2.96 0.77 -0.70 118.68 123.28 2a1e s LEU 23 Ca -0.03 0.56 -0.29 0.00 -0.22 0.00 0.00 54.13 54.16 2a1e s LEU 23 Cb 0.00 -2.46 0.02 0.00 0.50 0.00 0.00 46.19 44.25 2a1e s LEU 23 CO -0.06 0.04 1.14 -0.76 -1.32 0.00 0.00 176.35 175.39 2a1e s LEU 24 N 0.70 3.80 -0.31 -0.68 1.43 0.25 -0.51 118.68 123.36 2a1e s LEU 24 Ca 0.19 0.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.13 2a1e s LEU 24 Cb -0.14 -3.55 0.10 0.00 0.03 0.00 0.00 46.19 42.63 2a1e s LEU 24 CO 0.06 -1.07 0.08 -0.62 0.23 0.00 0.00 176.35 175.03 2a1e s ASP 25 N 2.17 4.13 0.24 2.29 -1.08 0.07 -4.77 116.67 119.73 2a1e s ASP 25 Ca 0.48 -1.69 0.24 0.00 -0.52 0.00 0.00 52.55 51.06 2a1e s ASP 25 Cb -0.11 -1.02 0.94 0.00 -1.46 0.00 0.00 42.92 41.27 2a1e s ASP 25 CO 0.23 -0.40 1.72 0.35 0.52 0.00 0.00 175.17 177.60 2a1e n THR 26 N 4.73 0.77 1.62 1.71 -2.24 -1.26 -1.90 114.28 117.71 2a1e n THR 26 Ca -0.02 0.11 0.14 0.00 -2.27 0.00 0.00 64.05 62.01 2a1e n THR 26 Cb 0.42 -1.03 0.61 0.00 -2.10 0.00 0.00 70.33 68.23 2a1e n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a1e n GLY 27 N 0.30 -0.29 3.48 3.38 0.00 -1.26 -4.81 105.19 105.99 2a1e n GLY 27 Ca 0.03 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 2a1e n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a1e s ALA 28 N -1.97 3.07 0.23 4.61 0.00 -0.80 -4.98 121.76 121.93 2a1e s ALA 28 Ca 0.39 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.40 2a1e s ALA 28 Cb 0.20 -1.74 0.25 0.00 0.00 0.00 0.00 23.12 21.83 2a1e s ALA 28 CO 0.32 -0.03 1.67 -0.44 0.00 0.00 0.00 175.76 177.28 2a1e h ASP 29 N 7.22 0.72 -3.01 0.00 3.32 -1.87 0.11 116.42 122.91 2a1e h ASP 29 Ca -0.35 -0.24 -0.48 0.00 0.02 0.00 0.00 57.03 55.98 2a1e h ASP 29 Cb 1.18 -0.20 -0.14 0.00 0.22 0.00 0.00 39.33 40.39 2a1e h ASP 29 CO 0.62 0.91 -0.67 -1.81 -1.72 0.00 0.00 179.24 176.57 2a1e s ASP 30 N -6.75 2.67 -0.23 6.45 1.01 -1.26 -2.46 116.67 116.11 2a1e s ASP 30 Ca -0.09 -1.20 -0.10 0.00 0.71 0.00 0.00 52.55 51.87 2a1e s ASP 30 Cb 0.13 -0.15 -0.05 0.00 1.01 0.00 0.00 42.92 43.86 2a1e s ASP 30 CO 0.82 -0.37 0.15 -0.89 0.21 0.00 0.00 175.17 175.09 2a1e s THR 31 N -3.06 5.31 -0.10 -1.27 2.01 -1.26 -3.17 115.64 114.11 2a1e s THR 31 Ca 0.30 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.46 2a1e s THR 31 Cb 0.04 -3.46 0.02 0.00 0.01 0.00 0.00 72.50 69.11 2a1e s THR 31 CO 0.12 0.37 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.64 2a1e s VAL 32 N 0.87 1.04 0.15 3.82 1.01 -0.31 -0.78 120.40 126.21 2a1e s VAL 32 Ca 0.07 -0.33 0.10 0.00 0.00 0.00 0.00 61.98 61.83 2a1e s VAL 32 Cb -0.13 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2a1e s VAL 32 CO 0.03 0.36 -0.21 0.27 0.00 0.00 0.00 175.10 175.54 2a1e s ILE 33 N 1.43 2.57 0.90 2.22 -4.36 0.78 -0.38 121.20 124.35 2a1e s ILE 33 Ca -0.00 -1.76 -0.10 0.00 -0.26 0.00 0.00 60.65 58.52 2a1e s ILE 33 Cb -0.13 -2.20 0.14 0.00 1.25 0.00 0.00 42.46 41.52 2a1e s ILE 33 CO -0.05 0.00 1.14 -1.61 0.24 0.00 0.00 174.94 174.67 2a1e s GLU 34 N -2.37 1.14 0.13 0.37 2.02 -1.26 -1.50 118.70 117.24 2a1e s GLU 34 Ca 0.19 1.52 -0.35 0.00 0.02 0.00 0.00 54.97 56.35 2a1e s GLU 34 Cb -0.09 -1.74 -0.16 0.00 0.10 0.00 0.00 34.13 32.23 2a1e s GLU 34 CO 0.09 -2.54 1.32 -1.91 0.02 0.00 0.00 175.26 172.25 2a1e n GLU 35 N -4.16 1.34 -3.72 1.61 4.07 -1.26 -4.66 120.64 113.86 2a1e n GLU 35 Ca 0.12 0.48 -0.07 0.00 -0.06 0.00 0.00 57.16 57.63 2a1e n GLU 35 Cb 0.52 -2.10 -0.02 0.00 -0.06 0.00 0.00 31.44 29.78 2a1e n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2a1e s MET 36 N 0.24 1.39 -0.13 5.31 0.23 -1.26 -5.07 119.30 120.00 2a1e s MET 36 Ca 0.79 -0.72 -0.19 0.00 -1.03 0.00 0.00 55.69 54.54 2a1e s MET 36 Cb -0.87 0.51 -0.04 0.00 -1.53 0.00 0.00 34.83 32.90 2a1e s MET 36 CO 0.47 -0.63 0.54 0.45 -2.03 0.00 0.00 175.02 173.83 2a1e s SER 37 N -2.86 6.72 0.12 -1.18 0.15 -1.26 -5.06 113.70 110.33 2a1e s SER 37 Ca 0.09 0.86 0.07 0.00 0.70 0.00 0.00 55.95 57.67 2a1e s SER 37 Cb -0.03 -2.32 -0.04 0.00 -1.71 0.00 0.00 66.02 61.93 2a1e s SER 37 CO 0.01 -0.09 -0.17 -0.76 1.20 0.00 0.00 173.24 173.43 2a1e s LEU 38 N 0.99 2.36 0.55 3.45 1.43 -1.26 -4.93 118.68 121.28 2a1e s LEU 38 Ca 0.28 -0.76 -0.15 0.00 -1.03 0.00 0.00 54.13 52.47 2a1e s LEU 38 Cb -0.16 -0.70 -0.06 0.00 0.03 0.00 0.00 46.19 45.31 2a1e s LEU 38 CO 0.12 -0.05 1.01 -2.16 0.23 0.00 0.00 176.35 175.49 2a1e s PRO 39 N -2.33 3.73 0.51 1.29 0.04 -1.26 -4.96 135.00 132.02 2a1e s PRO 39 Ca 0.08 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.09 2a1e s PRO 39 Cb -0.07 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2a1e s PRO 39 CO 0.04 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.04 2a1e n GLY 40 N -1.65 -2.11 3.85 0.56 0.00 -1.26 -4.92 105.19 99.66 2a1e n GLY 40 Ca 0.07 -1.70 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 2a1e n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a1e s ARG 41 N -0.15 3.92 0.28 1.61 0.52 -1.26 -5.08 118.95 118.79 2a1e s ARG 41 Ca 0.00 0.71 0.11 0.00 -0.52 0.00 0.00 55.73 56.02 2a1e s ARG 41 Cb 0.00 -2.31 -0.05 0.00 0.52 0.00 0.00 34.95 33.11 2a1e s ARG 41 CO 0.00 -0.05 -0.16 1.67 0.02 0.00 0.00 175.30 176.77 2a1e s TRP 42 N -2.33 2.21 0.16 -0.53 1.48 -1.26 -4.64 118.94 114.03 2a1e s TRP 42 Ca 0.55 -0.42 0.09 0.00 -1.06 0.00 0.00 56.10 55.27 2a1e s TRP 42 Cb -0.10 -1.04 -0.04 0.00 -1.16 0.00 0.00 33.47 31.12 2a1e s TRP 42 CO 0.26 0.62 -0.21 -1.59 -4.06 0.00 0.00 176.95 171.97 2a1e s LYS 43 N -3.56 1.33 0.45 3.25 -2.85 -0.48 -4.91 119.74 112.97 2a1e s LYS 43 Ca 0.29 -1.40 -0.21 0.00 -1.00 0.00 0.00 55.97 53.65 2a1e s LYS 43 Cb -0.02 -1.51 -0.10 0.00 -2.06 0.00 0.00 37.83 34.13 2a1e s LYS 43 CO 0.14 0.32 0.98 -1.25 0.10 0.00 0.00 175.35 175.64 2a1e s PRO 44 N -2.60 4.09 -0.09 1.78 0.04 -1.26 -0.34 135.00 136.63 2a1e s PRO 44 Ca 0.16 1.19 -0.12 0.00 0.04 0.00 0.00 61.00 62.27 2a1e s PRO 44 Cb -0.07 -2.15 0.03 0.00 0.04 0.00 0.00 34.50 32.34 2a1e s PRO 44 CO 0.07 -0.16 0.31 0.21 0.04 0.00 0.00 177.00 177.48 2a1e s LYS 45 N -3.20 0.46 -0.10 4.56 2.20 -1.03 -4.81 119.74 117.81 2a1e s LYS 45 Ca 0.64 0.25 -0.01 0.00 -0.36 0.00 0.00 55.97 56.48 2a1e s LYS 45 Cb -0.11 0.21 -0.03 0.00 -1.51 0.00 0.00 37.83 36.39 2a1e s LYS 45 CO 0.15 -0.08 -0.05 -1.64 -0.36 0.00 0.00 175.35 173.37 2a1e s MET 46 N -0.28 3.10 0.14 4.03 -1.94 -1.26 -1.00 119.30 122.08 2a1e s MET 46 Ca -0.04 -0.52 0.09 0.00 -1.71 0.00 0.00 55.69 53.51 2a1e s MET 46 Cb -0.03 -2.72 -0.04 0.00 2.01 0.00 0.00 34.83 34.05 2a1e s MET 46 CO 0.01 0.52 -0.21 0.96 -0.01 0.00 0.00 175.02 176.29 2a1e s ILE 47 N -0.41 1.92 0.04 2.53 -4.36 -0.44 -4.98 121.20 115.50 2a1e s ILE 47 Ca 0.06 -1.76 0.08 0.00 -0.26 0.00 0.00 60.65 58.77 2a1e s ILE 47 Cb -0.12 -1.79 -0.03 0.00 1.25 0.00 0.00 42.46 41.77 2a1e s ILE 47 CO 0.02 -0.12 -0.20 -0.83 0.24 0.00 0.00 174.94 174.05 2a1e s GLY 48 N -2.26 1.53 0.00 6.27 0.00 -1.26 -1.04 107.32 110.55 2a1e s GLY 48 Ca 0.12 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.63 2a1e s GLY 48 CO 0.06 -1.10 0.00 0.61 0.00 0.00 0.00 173.10 172.67 2a1e n GLY 49 N 1.62 4.49 0.31 0.20 0.00 0.59 -4.99 105.19 107.40 2a1e n GLY 49 Ca -0.16 -1.13 0.12 0.00 0.00 0.00 0.00 46.02 44.84 2a1e n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2a1e h ILE 50 N 0.00 0.92 -0.11 -0.61 6.09 -2.03 -2.83 117.51 118.94 2a1e h ILE 50 Ca 0.00 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 63.46 2a1e h ILE 50 Cb 0.00 0.81 0.00 0.00 0.47 0.00 0.00 36.82 38.10 2a1e h ILE 50 CO 0.00 0.02 0.00 0.61 -3.07 0.00 0.00 178.15 175.71 2a1e n GLY 51 N -1.56 0.58 0.00 8.18 0.00 -1.26 -5.08 105.19 106.05 2a1e n GLY 51 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2a1e n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a1e n GLY 52 N 0.72 0.74 3.61 -0.02 0.00 -1.07 -5.10 105.19 104.07 2a1e n GLY 52 Ca 0.09 -1.86 -0.28 0.00 0.00 0.00 0.00 46.02 43.98 2a1e n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a1e s PHE 53 N -2.55 2.76 0.05 1.61 0.40 -1.26 -0.30 117.98 118.68 2a1e s PHE 53 Ca 0.00 -0.16 0.00 0.00 -0.60 0.00 0.00 56.93 56.17 2a1e s PHE 53 Cb 0.00 -1.37 -0.03 0.00 0.51 0.00 0.00 43.02 42.13 2a1e s PHE 53 CO 0.00 0.49 -0.04 0.96 0.70 0.00 0.00 175.22 177.33 2a1e s ILE 54 N -1.57 0.32 -0.02 0.64 -4.36 -0.21 -4.98 121.20 111.02 2a1e s ILE 54 Ca 0.25 -1.37 -0.20 0.00 -0.26 0.00 0.00 60.65 59.08 2a1e s ILE 54 Cb -0.10 -0.92 -0.05 0.00 1.25 0.00 0.00 42.46 42.64 2a1e s ILE 54 CO 0.16 -0.68 0.56 -0.54 0.24 0.00 0.00 174.94 174.68 2a1e s LYS 55 N -2.58 4.28 0.21 0.37 1.02 -1.26 -1.32 119.74 120.46 2a1e s LYS 55 Ca -0.04 0.66 0.02 0.00 0.02 0.00 0.00 55.97 56.64 2a1e s LYS 55 Cb -0.02 -3.34 -0.05 0.00 -0.52 0.00 0.00 37.83 33.90 2a1e s LYS 55 CO -0.04 0.38 0.02 0.14 -0.92 0.00 0.00 175.35 174.92 2a1e s VAL 56 N -0.18 0.82 -0.21 3.17 -7.23 -0.17 -4.67 120.40 111.94 2a1e s VAL 56 Ca 0.30 -2.01 -0.13 0.00 -1.81 0.00 0.00 61.98 58.33 2a1e s VAL 56 Cb -0.18 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.40 2a1e s VAL 56 CO 0.16 -0.32 0.26 -0.13 -0.31 0.00 0.00 175.10 174.76 2a1e s ARG 57 N -3.91 4.15 -0.27 4.82 0.52 -0.20 -2.46 118.95 121.60 2a1e s ARG 57 Ca 0.28 -0.05 -0.11 0.00 -0.52 0.00 0.00 55.73 55.34 2a1e s ARG 57 Cb 0.06 -3.51 -0.05 0.00 0.52 0.00 0.00 34.95 31.98 2a1e s ARG 57 CO 0.08 0.08 0.18 -1.14 0.02 0.00 0.00 175.30 174.51 2a1e s GLN 58 N 0.97 3.96 -0.14 3.54 0.74 0.54 -0.57 119.66 128.71 2a1e s GLN 58 Ca 0.13 -0.32 -0.01 0.00 0.05 0.00 0.00 55.36 55.21 2a1e s GLN 58 Cb -0.14 -3.61 -0.02 0.00 1.10 0.00 0.00 33.01 30.35 2a1e s GLN 58 CO 0.05 -0.12 -0.11 0.71 -0.55 0.00 0.00 175.29 175.27 2a1e s TYR 59 N 1.58 2.87 0.23 1.67 1.51 -0.51 -1.38 117.35 123.32 2a1e s TYR 59 Ca 0.07 -0.59 0.05 0.00 -1.01 0.00 0.00 57.07 55.60 2a1e s TYR 59 Cb -0.15 -1.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.78 2a1e s TYR 59 CO 0.09 -0.19 0.27 -0.51 -1.11 0.00 0.00 175.55 174.10 2a1e s ASP 60 N 0.41 5.96 -1.41 2.29 1.01 -1.26 -0.97 116.67 122.69 2a1e s ASP 60 Ca -0.09 -0.05 -0.06 0.00 0.71 0.00 0.00 52.55 53.06 2a1e s ASP 60 Cb -0.15 -1.66 0.04 0.00 1.01 0.00 0.00 42.92 42.15 2a1e s ASP 60 CO 0.05 -0.03 0.78 0.00 0.21 0.00 0.00 175.17 176.17 2a1e n GLN 61 N -1.15 -4.95 -3.18 8.23 6.02 -1.13 -4.91 117.38 116.32 2a1e n GLN 61 Ca -0.08 0.58 -0.39 0.00 -0.01 0.00 0.00 57.00 57.10 2a1e n GLN 61 Cb 0.57 -5.23 -0.05 0.00 1.02 0.00 0.00 30.24 26.55 2a1e n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2a1e s ILE 62 N -3.55 5.11 -0.09 5.09 -1.09 -0.01 -4.68 121.20 121.97 2a1e s ILE 62 Ca 0.27 1.21 -0.30 0.00 -2.23 0.00 0.00 60.65 59.60 2a1e s ILE 62 Cb -0.14 -3.93 -0.02 0.00 -1.58 0.00 0.00 42.46 36.80 2a1e s ILE 62 CO 0.83 0.29 1.03 -0.63 -1.23 0.00 0.00 174.94 175.23 2a1e s ILE 63 N 0.67 4.73 -0.12 2.92 1.01 -1.26 -1.18 121.20 127.98 2a1e s ILE 63 Ca 0.32 2.00 -0.08 0.00 0.00 0.00 0.00 60.65 62.89 2a1e s ILE 63 Cb -0.17 -4.28 0.04 0.00 0.01 0.00 0.00 42.46 38.06 2a1e s ILE 63 CO 0.14 0.01 0.29 -0.51 0.00 0.00 0.00 174.94 174.88 2a1e s ILE 64 N 1.97 -0.02 -0.13 2.92 2.07 -0.24 -4.43 121.20 123.34 2a1e s ILE 64 Ca 0.49 0.07 -0.06 0.00 -1.41 0.00 0.00 60.65 59.74 2a1e s ILE 64 Cb -0.19 -0.43 -0.04 0.00 0.13 0.00 0.00 42.46 41.93 2a1e s ILE 64 CO 0.19 0.03 0.10 -1.61 -1.91 0.00 0.00 174.94 171.74 2a1e s GLU 65 N 0.80 3.50 -0.23 3.50 2.02 -0.17 -0.39 118.70 127.74 2a1e s GLU 65 Ca -0.05 -0.22 0.01 0.00 0.02 0.00 0.00 54.97 54.72 2a1e s GLU 65 Cb -0.06 -3.14 0.06 0.00 0.10 0.00 0.00 34.13 31.08 2a1e s GLU 65 CO -0.05 0.65 -0.05 0.42 0.02 0.00 0.00 175.26 176.24 2a1e s ILE 66 N -0.67 1.48 -1.62 -1.63 -1.09 0.57 -0.69 121.20 117.53 2a1e s ILE 66 Ca 0.12 -1.18 -0.16 0.00 -2.23 0.00 0.00 60.65 57.21 2a1e s ILE 66 Cb -0.12 -1.75 0.12 0.00 -1.58 0.00 0.00 42.46 39.14 2a1e s ILE 66 CO 0.02 -0.10 0.89 0.00 -1.23 0.00 0.00 174.94 174.53 2a1e n ALA 67 N 4.69 -1.27 -0.67 9.38 0.00 -0.22 -0.81 120.51 131.62 2a1e n ALA 67 Ca -0.12 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2a1e n ALA 67 Cb 0.44 -4.02 0.00 0.00 0.00 0.00 0.00 19.45 15.87 2a1e n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a1e n GLY 68 N -1.54 0.82 3.64 0.00 0.00 -1.26 -5.02 105.19 101.82 2a1e n GLY 68 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 2a1e n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2a1e s HIS 69 N -3.20 3.26 0.08 1.61 3.76 0.01 -5.08 115.29 115.72 2a1e s HIS 69 Ca 0.00 0.08 -0.27 0.00 -0.15 0.00 0.00 55.06 54.73 2a1e s HIS 69 Cb 0.00 -2.09 -0.06 0.00 1.11 0.00 0.00 32.58 31.55 2a1e s HIS 69 CO 0.00 0.16 0.84 0.15 -0.85 0.00 0.00 174.74 175.04 2a1e s LYS 70 N 0.38 4.58 0.10 1.40 1.02 -1.26 -0.32 119.74 125.64 2a1e s LYS 70 Ca 0.03 1.22 0.02 0.00 0.02 0.00 0.00 55.97 57.26 2a1e s LYS 70 Cb -0.12 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.79 2a1e s LYS 70 CO 0.00 0.28 -0.08 0.00 -0.92 0.00 0.00 175.35 174.63 2a1e s ALA 71 N -0.12 1.02 -0.17 5.17 0.00 0.48 -4.85 121.76 123.30 2a1e s ALA 71 Ca 0.41 -1.29 -0.05 0.00 0.00 0.00 0.00 51.96 51.04 2a1e s ALA 71 Cb -0.22 0.12 0.07 0.00 0.00 0.00 0.00 23.12 23.09 2a1e s ALA 71 CO 0.26 -0.17 0.12 0.42 0.00 0.00 0.00 175.76 176.39 2a1e s ILE 72 N -3.23 -0.16 0.00 0.00 1.01 -1.26 -1.07 121.20 116.49 2a1e s ILE 72 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.65 2a1e s ILE 72 Cb 0.02 -0.56 0.00 0.00 0.01 0.00 0.00 42.46 41.93 2a1e s ILE 72 CO -0.03 -0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.30 2a1e n GLY 73 N 5.29 1.47 3.71 6.18 0.00 -0.33 -4.77 105.19 116.75 2a1e n GLY 73 Ca -0.06 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 2a1e n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a1e s THR 74 N -2.45 4.93 -0.11 2.61 2.01 -1.26 -0.83 115.64 120.54 2a1e s THR 74 Ca 0.00 1.79 0.02 0.00 0.31 0.00 0.00 61.69 63.82 2a1e s THR 74 Cb 0.00 -4.20 0.01 0.00 0.01 0.00 0.00 72.50 68.32 2a1e s THR 74 CO 0.00 0.21 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.26 2a1e s VAL 75 N 0.87 1.75 -0.11 3.82 1.01 -0.14 -4.48 120.40 123.12 2a1e s VAL 75 Ca 0.45 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.53 2a1e s VAL 75 Cb -0.20 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 2a1e s VAL 75 CO 0.24 0.49 0.20 -0.76 0.00 0.00 0.00 175.10 175.27 2a1e s LEU 76 N 0.77 4.38 -0.11 3.92 1.43 0.04 -1.42 118.68 127.68 2a1e s LEU 76 Ca -0.10 0.54 0.03 0.00 -1.03 0.00 0.00 54.13 53.57 2a1e s LEU 76 Cb -0.16 -2.19 0.00 0.00 0.03 0.00 0.00 46.19 43.88 2a1e s LEU 76 CO 0.01 0.35 -0.23 -0.69 0.23 0.00 0.00 176.35 176.02 2a1e s VAL 77 N -0.79 2.03 -1.22 -1.59 1.01 0.27 -0.15 120.40 119.96 2a1e s VAL 77 Ca 0.16 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2a1e s VAL 77 Cb -0.13 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.48 2a1e s VAL 77 CO 0.05 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.31 2a1e n GLY 78 N 3.70 -1.30 2.51 4.51 0.00 -0.56 -1.03 105.19 113.02 2a1e n GLY 78 Ca -0.19 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.51 2a1e n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2a1e n PRO 79 N -0.02 3.23 -3.16 1.61 -0.04 -1.26 -4.06 135.00 131.30 2a1e n PRO 79 Ca 0.00 -2.29 -0.36 0.00 -0.04 0.00 0.00 63.50 60.81 2a1e n PRO 79 Cb 0.00 -2.96 -0.06 0.00 -0.04 0.00 0.00 33.50 30.44 2a1e n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2a1e s THR 80 N 2.71 4.64 0.01 0.52 -1.32 -1.26 -4.97 115.64 115.96 2a1e s THR 80 Ca 0.59 1.20 0.32 0.00 -1.21 0.00 0.00 61.69 62.60 2a1e s THR 80 Cb 0.16 -3.85 0.37 0.00 -1.51 0.00 0.00 72.50 67.67 2a1e s THR 80 CO -0.06 0.26 1.94 1.55 -2.21 0.00 0.00 174.62 176.10 2a1e h PRO 81 N 3.59 0.00 -2.66 7.08 0.13 -1.98 -3.45 132.00 134.72 2a1e h PRO 81 Ca -0.48 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.55 2a1e h PRO 81 Cb 1.20 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.12 2a1e h PRO 81 CO 0.65 0.00 -0.13 0.54 -0.23 0.00 0.00 178.00 178.83 2a1e s VAL 82 N -3.61 0.02 0.14 1.56 0.11 -1.26 -5.11 120.40 112.25 2a1e s VAL 82 Ca 0.02 -0.20 -0.31 0.00 -2.93 0.00 0.00 61.98 58.55 2a1e s VAL 82 Cb 0.09 -0.71 -0.08 0.00 -1.53 0.00 0.00 36.38 34.14 2a1e s VAL 82 CO 0.52 -0.11 1.38 0.20 -3.33 0.00 0.00 175.10 173.76 2a1e s ASN 83 N -0.74 6.82 -0.13 3.54 0.01 -1.26 -4.78 114.94 118.39 2a1e s ASN 83 Ca -0.08 2.37 0.01 0.00 -0.71 0.00 0.00 52.86 54.45 2a1e s ASN 83 Cb -0.03 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.05 2a1e s ASN 83 CO 0.04 -0.64 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.21 2a1e s ILE 84 N 0.86 1.60 -0.38 0.60 1.01 0.48 -0.16 121.20 125.21 2a1e s ILE 84 Ca 0.63 -0.68 -0.16 0.00 0.00 0.00 0.00 60.65 60.44 2a1e s ILE 84 Cb -0.37 -1.47 0.01 0.00 0.01 0.00 0.00 42.46 40.63 2a1e s ILE 84 CO 0.32 0.46 0.39 -0.63 0.00 0.00 0.00 174.94 175.48 2a1e s ILE 85 N 1.19 5.14 0.43 2.92 -1.09 0.34 -1.16 121.20 128.97 2a1e s ILE 85 Ca -0.01 -0.21 0.03 0.00 -2.23 0.00 0.00 60.65 58.23 2a1e s ILE 85 Cb -0.14 -3.93 0.08 0.00 -1.58 0.00 0.00 42.46 36.89 2a1e s ILE 85 CO -0.06 -0.26 0.59 0.61 -1.23 0.00 0.00 174.94 174.58 2a1e n GLY 86 N 5.05 1.30 0.24 6.18 0.00 -1.19 -0.75 105.19 116.02 2a1e n GLY 86 Ca -0.08 -2.10 0.08 0.00 0.00 0.00 0.00 46.02 43.92 2a1e n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2a1e h ARG 87 N 0.00 0.00 -0.76 1.61 3.08 -0.72 -0.15 114.38 117.45 2a1e h ARG 87 Ca -0.20 0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.95 2a1e h ARG 87 Cb 0.80 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.80 2a1e h ARG 87 CO 0.24 0.16 0.50 -2.95 -1.07 0.00 0.00 179.97 176.84 2a1e h ASN 88 N 0.00 0.60 0.01 7.04 -1.07 -1.74 -1.26 115.58 119.16 2a1e h ASN 88 Ca -0.00 0.02 -0.26 0.00 0.07 0.00 0.00 56.30 56.13 2a1e h ASN 88 Cb 0.32 -0.11 -0.05 0.00 -2.07 0.00 0.00 38.32 36.41 2a1e h ASN 88 CO 0.02 0.36 -2.26 0.18 0.07 0.00 0.00 177.43 175.80 2a1e n LEU 89 N -4.50 0.02 -0.28 6.14 4.77 -0.57 -4.02 117.00 118.56 2a1e n LEU 89 Ca 0.13 0.01 -0.02 0.00 -0.03 0.00 0.00 56.01 56.09 2a1e n LEU 89 Cb 0.34 0.34 0.15 0.00 -2.33 0.00 0.00 43.42 41.92 2a1e n LEU 89 CO 0.33 0.35 1.19 -0.07 -1.33 0.00 0.00 177.39 177.85 2a1e h LEU 90 N 0.00 1.02 -1.17 2.23 3.38 -0.77 -1.33 115.31 118.66 2a1e h LEU 90 Ca -0.38 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.45 2a1e h LEU 90 Cb 1.87 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 2a1e h LEU 90 CO 0.02 0.80 -0.12 0.71 0.09 0.00 0.00 178.44 179.94 2a1e h THR 91 N 1.16 1.22 0.00 0.22 1.35 -1.41 -1.02 112.91 114.42 2a1e h THR 91 Ca 0.30 -0.95 -0.06 0.00 -0.55 0.00 0.00 66.41 65.14 2a1e h THR 91 Cb -0.01 1.15 -0.01 0.00 -1.73 0.00 0.00 68.15 67.56 2a1e h THR 91 CO -0.05 0.31 -0.30 1.56 -0.25 0.00 0.00 175.52 176.79 2a1e h GLN 92 N 0.40 0.00 -0.42 4.72 4.20 -1.40 -2.15 115.11 120.46 2a1e h GLN 92 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2a1e h GLN 92 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 2a1e h GLN 92 CO 0.03 0.30 0.00 0.44 -0.67 0.00 0.00 178.83 178.93 2a1e n ILE 93 N -3.87 0.55 -1.22 2.54 -5.35 -0.88 -4.94 119.36 106.20 2a1e n ILE 93 Ca -0.02 -0.69 -0.00 0.00 -0.27 0.00 0.00 62.75 61.78 2a1e n ILE 93 Cb 0.38 0.65 -0.00 0.00 -1.74 0.00 0.00 39.64 38.92 2a1e n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2a1e n GLY 94 N 1.41 0.39 3.75 3.28 0.00 -0.81 -5.02 105.19 108.20 2a1e n GLY 94 Ca 0.19 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 2a1e n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a1e s ALA 95 N -2.01 3.37 0.16 4.61 0.00 -0.43 -5.02 121.76 122.43 2a1e s ALA 95 Ca 0.00 0.73 0.05 0.00 0.00 0.00 0.00 51.96 52.74 2a1e s ALA 95 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 2a1e s ALA 95 CO 0.00 0.06 -0.11 0.95 0.00 0.00 0.00 175.76 176.66 2a1e s THR 96 N -1.14 1.27 -0.17 0.00 -4.23 -1.26 -4.67 115.64 105.43 2a1e s THR 96 Ca 0.43 -2.09 -0.08 0.00 -1.18 0.00 0.00 61.69 58.77 2a1e s THR 96 Cb -0.28 -1.88 -0.04 0.00 1.34 0.00 0.00 72.50 71.63 2a1e s THR 96 CO 0.35 -0.72 0.10 -0.22 -0.54 0.00 0.00 174.62 173.59 2a1e s LEU 97 N -3.19 4.08 -0.02 4.79 2.96 -1.26 -5.09 118.68 120.95 2a1e s LEU 97 Ca 0.18 0.23 0.02 0.00 -0.22 0.00 0.00 54.13 54.33 2a1e s LEU 97 Cb 0.02 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.69 2a1e s LEU 97 CO 0.02 0.25 -0.06 0.20 -1.32 0.00 0.00 176.35 175.43 2a1e s ASN 98 N -0.05 0.85 0.00 3.68 0.01 -1.26 -5.29 114.94 112.88 2a1e s ASN 98 Ca 0.08 -0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.11 2a1e s ASN 98 Cb -0.12 -0.24 0.00 0.00 0.41 0.00 0.00 41.25 41.30 2a1e s ASN 98 CO 0.00 0.03 0.00 2.22 -1.51 0.00 0.00 177.10 177.84