#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m9f s GLN 2 N 0.00 3.12 -0.18 0.54 0.74 -1.26 -5.11 119.66 117.51 3m9f s GLN 2 Ca 0.00 -0.79 -0.02 0.00 0.05 0.00 0.00 55.36 54.60 3m9f s GLN 2 Cb 0.00 -2.58 -0.00 0.00 1.10 0.00 0.00 33.01 31.52 3m9f s GLN 2 CO 0.00 -0.06 -0.11 0.42 -0.55 0.00 0.00 175.29 175.00 3m9f s ILE 3 N 0.96 2.99 0.79 -2.34 1.01 -1.26 -5.11 121.20 118.24 3m9f s ILE 3 Ca -0.03 -0.64 -0.09 0.00 0.00 0.00 0.00 60.65 59.89 3m9f s ILE 3 Cb -0.15 -2.31 0.11 0.00 0.01 0.00 0.00 42.46 40.13 3m9f s ILE 3 CO -0.04 0.48 1.11 0.42 0.00 0.00 0.00 174.94 176.92 3m9f s THR 4 N 1.06 2.15 -0.13 2.92 -4.23 -1.26 -5.04 115.64 111.11 3m9f s THR 4 Ca -0.00 -0.23 0.18 0.00 -1.18 0.00 0.00 61.69 60.46 3m9f s THR 4 Cb -0.15 -2.92 0.29 0.00 1.34 0.00 0.00 72.50 71.06 3m9f s THR 4 CO -0.02 0.00 1.15 0.18 -0.54 0.00 0.00 174.62 175.39 3m9f n LEU 5 N -3.17 2.27 0.15 4.79 4.77 -1.26 -4.65 117.00 119.90 3m9f n LEU 5 Ca 0.11 -3.07 0.02 0.00 -0.03 0.00 0.00 56.01 53.04 3m9f n LEU 5 Cb 0.60 -0.42 0.35 0.00 -2.33 0.00 0.00 43.42 41.63 3m9f n LEU 5 CO 0.49 0.75 0.78 -0.50 -1.33 0.00 0.00 177.39 177.58 3m9f h TRP 6 N 0.09 0.14 -2.02 -1.77 4.06 -2.06 -3.43 115.95 110.96 3m9f h TRP 6 Ca -0.00 -0.03 -0.59 0.00 2.06 0.00 0.00 58.89 60.34 3m9f h TRP 6 Cb 1.02 -0.04 -0.13 0.00 -1.00 0.00 0.00 29.16 29.01 3m9f h TRP 6 CO 0.07 0.41 -0.62 1.14 -3.56 0.00 0.00 178.44 175.87 3m9f s GLN 7 N -4.40 1.84 0.24 0.49 -2.07 -1.26 -5.11 119.66 109.40 3m9f s GLN 7 Ca -0.04 -2.01 -0.31 0.00 -1.82 0.00 0.00 55.36 51.17 3m9f s GLN 7 Cb 0.15 -1.46 -0.13 0.00 -1.09 0.00 0.00 33.01 30.48 3m9f s GLN 7 CO 0.73 -0.03 1.52 0.54 -1.32 0.00 0.00 175.29 176.73 3m9f n ARG 8 N -0.85 2.32 -1.76 9.60 1.74 -1.26 -4.85 116.66 121.60 3m9f n ARG 8 Ca -0.05 0.83 -0.42 0.00 -0.77 0.00 0.00 57.85 57.45 3m9f n ARG 8 Cb 0.66 -2.56 -0.02 0.00 -1.02 0.00 0.00 32.46 29.52 3m9f n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3m9f n PRO 9 N 2.43 2.51 -3.09 5.56 -0.04 -1.26 -4.93 135.00 136.18 3m9f n PRO 9 Ca 0.12 -2.53 -0.39 0.00 -0.04 0.00 0.00 63.50 60.65 3m9f n PRO 9 Cb 0.33 -3.27 -0.05 0.00 -0.04 0.00 0.00 33.50 30.47 3m9f n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3m9f s LEU 10 N 2.87 4.34 0.24 1.53 1.43 -1.26 -0.98 118.68 126.85 3m9f s LEU 10 Ca 0.52 1.18 0.03 0.00 -1.03 0.00 0.00 54.13 54.83 3m9f s LEU 10 Cb 0.11 -3.04 -0.05 0.00 0.03 0.00 0.00 46.19 43.24 3m9f s LEU 10 CO 0.00 -0.06 0.02 0.68 0.23 0.00 0.00 176.35 177.22 3m9f s VAL 11 N 0.53 0.96 0.03 -1.59 -7.23 0.21 -4.94 120.40 108.36 3m9f s VAL 11 Ca 0.36 -2.02 -0.19 0.00 -1.81 0.00 0.00 61.98 58.31 3m9f s VAL 11 Cb -0.18 -2.41 -0.06 0.00 0.56 0.00 0.00 36.38 34.29 3m9f s VAL 11 CO 0.18 -0.26 0.56 -0.89 -0.31 0.00 0.00 175.10 174.38 3m9f s THR 12 N -3.47 4.84 0.23 5.32 2.01 -1.26 -0.85 115.64 122.45 3m9f s THR 12 Ca 0.30 1.19 0.12 0.00 0.31 0.00 0.00 61.69 63.60 3m9f s THR 12 Cb 0.06 -3.89 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 3m9f s THR 12 CO 0.10 0.50 -0.22 0.27 -0.69 0.00 0.00 174.62 174.57 3m9f s ILE 13 N -0.71 2.40 -0.11 1.82 -4.36 0.41 -1.47 121.20 119.19 3m9f s ILE 13 Ca 0.29 -2.20 0.02 0.00 -0.26 0.00 0.00 60.65 58.51 3m9f s ILE 13 Cb -0.19 -2.20 0.01 0.00 1.25 0.00 0.00 42.46 41.34 3m9f s ILE 13 CO 0.18 -0.24 -0.19 -0.75 0.24 0.00 0.00 174.94 174.17 3m9f s LYS 14 N -3.04 2.59 -0.10 0.37 2.20 0.21 -1.25 119.74 120.71 3m9f s LYS 14 Ca 0.25 -0.70 -0.07 0.00 -0.36 0.00 0.00 55.97 55.08 3m9f s LYS 14 Cb -0.07 -2.09 0.03 0.00 -1.51 0.00 0.00 37.83 34.19 3m9f s LYS 14 CO 0.12 0.01 0.25 -1.50 -0.36 0.00 0.00 175.35 173.87 3m9f s ILE 15 N 0.77 -0.02 -1.34 5.43 2.07 -0.13 -1.15 121.20 126.83 3m9f s ILE 15 Ca -0.10 0.06 -0.05 0.00 -1.41 0.00 0.00 60.65 59.15 3m9f s ILE 15 Cb -0.16 -0.37 0.03 0.00 0.13 0.00 0.00 42.46 42.09 3m9f s ILE 15 CO 0.01 0.02 0.39 0.61 -1.91 0.00 0.00 174.94 174.06 3m9f n GLY 16 N 3.48 -0.50 2.58 1.50 0.00 -1.26 -0.95 105.19 110.03 3m9f n GLY 16 Ca -0.18 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3m9f n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m9f n GLY 17 N -1.19 0.46 3.45 -0.02 0.00 -1.26 -5.01 105.19 101.61 3m9f n GLY 17 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 3m9f n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3m9f s GLN 18 N -0.50 2.10 0.14 1.61 -1.52 -0.13 -5.12 119.66 116.25 3m9f s GLN 18 Ca 0.00 -0.96 -0.23 0.00 -1.95 0.00 0.00 55.36 52.23 3m9f s GLN 18 Cb 0.00 -2.19 -0.08 0.00 -0.22 0.00 0.00 33.01 30.52 3m9f s GLN 18 CO 0.00 0.55 0.70 -0.51 -0.25 0.00 0.00 175.29 175.78 3m9f s LEU 19 N -1.33 4.56 0.13 2.90 1.43 -1.26 -0.96 118.68 124.15 3m9f s LEU 19 Ca 0.14 1.50 0.02 0.00 -1.03 0.00 0.00 54.13 54.75 3m9f s LEU 19 Cb -0.10 -3.17 -0.04 0.00 0.03 0.00 0.00 46.19 42.90 3m9f s LEU 19 CO 0.04 0.22 -0.03 -0.54 0.23 0.00 0.00 176.35 176.27 3m9f s LYS 20 N -1.19 0.93 -0.07 1.70 1.02 -0.38 -4.99 119.74 116.77 3m9f s LYS 20 Ca 0.34 -1.41 -0.13 0.00 0.02 0.00 0.00 55.97 54.79 3m9f s LYS 20 Cb -0.21 -0.19 -0.05 0.00 -0.52 0.00 0.00 37.83 36.85 3m9f s LYS 20 CO 0.23 -0.07 0.32 -2.00 -0.92 0.00 0.00 175.35 172.91 3m9f s GLU 21 N -3.88 3.89 0.03 1.68 2.12 -1.26 -0.44 118.70 120.84 3m9f s GLU 21 Ca 0.17 0.22 -0.08 0.00 0.36 0.00 0.00 54.97 55.64 3m9f s GLU 21 Cb 0.06 -3.26 -0.00 0.00 0.26 0.00 0.00 34.13 31.18 3m9f s GLU 21 CO -0.01 0.60 0.15 0.00 -0.54 0.00 0.00 175.26 175.46 3m9f s ALA 22 N -0.69 -0.24 -0.23 6.30 0.00 -0.03 -4.44 121.76 122.43 3m9f s ALA 22 Ca 0.20 -0.37 -0.14 0.00 0.00 0.00 0.00 51.96 51.66 3m9f s ALA 22 Cb -0.15 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 3m9f s ALA 22 CO 0.09 -0.33 0.30 -1.17 0.00 0.00 0.00 175.76 174.66 3m9f s LEU 23 N -2.02 4.12 -0.45 0.00 2.96 0.68 -0.62 118.68 123.36 3m9f s LEU 23 Ca -0.06 0.32 -0.29 0.00 -0.22 0.00 0.00 54.13 53.88 3m9f s LEU 23 Cb -0.02 -2.34 0.01 0.00 0.50 0.00 0.00 46.19 44.34 3m9f s LEU 23 CO -0.03 -0.04 1.42 -0.76 -1.32 0.00 0.00 176.35 175.62 3m9f s LEU 24 N 1.35 3.54 -0.41 -0.68 1.43 -0.15 -0.34 118.68 123.41 3m9f s LEU 24 Ca 0.14 0.71 0.03 0.00 -1.03 0.00 0.00 54.13 53.98 3m9f s LEU 24 Cb -0.14 -3.43 0.12 0.00 0.03 0.00 0.00 46.19 42.76 3m9f s LEU 24 CO 0.07 -1.51 0.16 -0.62 0.23 0.00 0.00 176.35 174.69 3m9f s ASP 25 N 4.11 4.24 0.54 2.29 -1.08 -0.15 -4.78 116.67 121.84 3m9f s ASP 25 Ca 0.60 -2.43 0.33 0.00 -0.52 0.00 0.00 52.55 50.53 3m9f s ASP 25 Cb -0.13 -1.35 1.35 0.00 -1.46 0.00 0.00 42.92 41.33 3m9f s ASP 25 CO 0.31 -0.32 1.98 0.71 0.52 0.00 0.00 175.17 178.38 3m9f h THR 26 N 5.94 0.06 0.00 1.71 1.35 -1.93 -2.15 112.91 117.89 3m9f h THR 26 Ca -0.06 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 3m9f h THR 26 Cb 0.96 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 3m9f h THR 26 CO 0.55 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 176.45 3m9f n GLY 27 N 0.01 -1.41 3.61 5.82 0.00 -1.26 -4.76 105.19 107.20 3m9f n GLY 27 Ca 0.00 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3m9f n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m9f s ALA 28 N -3.15 3.57 0.30 4.61 0.00 -0.81 -4.96 121.76 121.33 3m9f s ALA 28 Ca 0.08 -0.79 -0.00 0.00 0.00 0.00 0.00 51.96 51.25 3m9f s ALA 28 Cb 0.12 -2.70 0.47 0.00 0.00 0.00 0.00 23.12 21.01 3m9f s ALA 28 CO 0.46 -0.62 1.91 -0.44 0.00 0.00 0.00 175.76 177.07 3m9f h ASP 29 N 8.09 0.80 -2.63 0.00 3.45 -1.86 0.17 116.42 124.44 3m9f h ASP 29 Ca -0.32 -0.08 -0.58 0.00 0.43 0.00 0.00 57.03 56.48 3m9f h ASP 29 Cb 1.16 -0.21 -0.15 0.00 -0.56 0.00 0.00 39.33 39.58 3m9f h ASP 29 CO 0.65 0.68 -0.77 -1.81 -1.57 0.00 0.00 179.24 176.42 3m9f s ASP 30 N -6.48 3.31 -0.16 6.45 1.01 -1.26 -2.53 116.67 117.01 3m9f s ASP 30 Ca -0.10 -0.99 -0.20 0.00 0.71 0.00 0.00 52.55 51.96 3m9f s ASP 30 Cb 0.17 -0.25 -0.03 0.00 1.01 0.00 0.00 42.92 43.81 3m9f s ASP 30 CO 0.79 0.01 0.59 -0.89 0.21 0.00 0.00 175.17 175.87 3m9f s THR 31 N -2.44 5.08 -0.07 -1.27 2.01 -1.26 -3.58 115.64 114.11 3m9f s THR 31 Ca 0.26 1.13 0.00 0.00 0.31 0.00 0.00 61.69 63.40 3m9f s THR 31 Cb -0.05 -3.91 0.02 0.00 0.01 0.00 0.00 72.50 68.57 3m9f s THR 31 CO 0.12 0.20 -0.06 0.54 -0.69 0.00 0.00 174.62 174.73 3m9f s VAL 32 N 1.37 0.75 0.14 3.82 0.11 -0.28 -1.30 120.40 125.01 3m9f s VAL 32 Ca 0.29 -0.19 0.08 0.00 -2.93 0.00 0.00 61.98 59.23 3m9f s VAL 32 Cb -0.16 -0.77 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 3m9f s VAL 32 CO 0.11 0.29 -0.10 -0.76 -3.33 0.00 0.00 175.10 171.32 3m9f s LEU 33 N 1.25 3.00 0.79 2.54 1.43 0.54 -0.54 118.68 127.69 3m9f s LEU 33 Ca -0.05 -0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 52.44 3m9f s LEU 33 Cb -0.14 -1.75 0.07 0.00 0.03 0.00 0.00 46.19 44.41 3m9f s LEU 33 CO -0.02 0.14 1.17 -1.61 0.23 0.00 0.00 176.35 176.26 3m9f s GLU 34 N -2.50 1.84 -0.12 1.70 2.02 -1.26 -2.06 118.70 118.33 3m9f s GLU 34 Ca 0.23 1.61 -0.36 0.00 0.02 0.00 0.00 54.97 56.47 3m9f s GLU 34 Cb -0.10 -1.81 -0.17 0.00 0.10 0.00 0.00 34.13 32.15 3m9f s GLU 34 CO 0.14 -2.03 1.04 -1.91 0.02 0.00 0.00 175.26 172.52 3m9f n GLU 35 N -3.26 0.00 -3.76 1.61 4.07 -1.25 -4.69 120.64 113.36 3m9f n GLU 35 Ca 0.12 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.15 3m9f n GLU 35 Cb 0.51 -1.28 -0.02 0.00 -0.06 0.00 0.00 31.44 30.60 3m9f n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3m9f s MET 36 N 0.70 1.59 -0.11 5.31 0.23 -1.26 -5.06 119.30 120.71 3m9f s MET 36 Ca 0.81 -0.84 -0.18 0.00 -1.03 0.00 0.00 55.69 54.45 3m9f s MET 36 Cb -1.14 0.57 -0.04 0.00 -1.53 0.00 0.00 34.83 32.69 3m9f s MET 36 CO 0.54 -0.73 0.48 0.54 -2.03 0.00 0.00 175.02 173.83 3m9f s ASN 37 N -2.88 6.70 0.08 -1.18 2.20 -1.26 -5.08 114.94 113.52 3m9f s ASN 37 Ca 0.09 0.83 0.05 0.00 -0.94 0.00 0.00 52.86 52.90 3m9f s ASN 37 Cb -0.04 -2.29 -0.03 0.00 -2.00 0.00 0.00 41.25 36.89 3m9f s ASN 37 CO 0.03 0.02 -0.14 -0.76 -2.94 0.00 0.00 177.10 173.31 3m9f s LEU 38 N 0.52 2.31 0.62 3.54 1.43 -1.26 -4.99 118.68 120.85 3m9f s LEU 38 Ca 0.26 -0.67 -0.13 0.00 -1.03 0.00 0.00 54.13 52.56 3m9f s LEU 38 Cb -0.15 -0.49 -0.03 0.00 0.03 0.00 0.00 46.19 45.54 3m9f s LEU 38 CO 0.11 -0.11 1.03 -2.16 0.23 0.00 0.00 176.35 175.45 3m9f s PRO 39 N -2.03 3.47 0.53 1.29 0.04 -1.26 -4.97 135.00 132.07 3m9f s PRO 39 Ca 0.01 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.94 3m9f s PRO 39 Cb -0.08 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3m9f s PRO 39 CO 0.02 -0.67 0.00 0.41 0.04 0.00 0.00 177.00 176.80 3m9f n GLY 40 N -2.14 -1.87 3.92 0.56 0.00 -1.26 -4.94 105.19 99.46 3m9f n GLY 40 Ca 0.07 -1.75 -0.26 0.00 0.00 0.00 0.00 46.02 44.08 3m9f n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m9f s ARG 41 N 0.00 3.54 0.23 1.61 0.52 -1.26 -5.11 118.95 118.48 3m9f s ARG 41 Ca 0.00 0.02 0.08 0.00 -0.52 0.00 0.00 55.73 55.30 3m9f s ARG 41 Cb 0.00 -2.49 -0.05 0.00 0.52 0.00 0.00 34.95 32.93 3m9f s ARG 41 CO 0.00 -0.05 -0.12 1.67 0.02 0.00 0.00 175.30 176.82 3m9f s TRP 42 N -2.54 1.80 0.17 -0.53 1.48 -1.26 -4.61 118.94 113.44 3m9f s TRP 42 Ca 0.45 -0.60 0.08 0.00 -1.06 0.00 0.00 56.10 54.97 3m9f s TRP 42 Cb -0.10 -0.89 -0.04 0.00 -1.16 0.00 0.00 33.47 31.28 3m9f s TRP 42 CO 0.40 0.35 -0.18 0.15 -4.06 0.00 0.00 176.95 173.61 3m9f s LYS 43 N -3.66 1.27 0.35 3.25 1.02 -0.53 -4.89 119.74 116.54 3m9f s LYS 43 Ca 0.25 -1.41 -0.26 0.00 0.02 0.00 0.00 55.97 54.57 3m9f s LYS 43 Cb 0.00 -1.31 -0.09 0.00 -0.52 0.00 0.00 37.83 35.91 3m9f s LYS 43 CO 0.09 0.26 1.04 -1.25 -0.92 0.00 0.00 175.35 174.57 3m9f s PRO 44 N -2.84 4.36 -0.07 -1.68 0.04 -1.26 -0.35 135.00 133.20 3m9f s PRO 44 Ca 0.16 1.55 -0.09 0.00 0.04 0.00 0.00 61.00 62.66 3m9f s PRO 44 Cb -0.05 -2.76 0.02 0.00 0.04 0.00 0.00 34.50 31.75 3m9f s PRO 44 CO 0.07 0.03 0.24 0.21 0.04 0.00 0.00 177.00 177.59 3m9f s LYS 45 N -2.13 0.38 -0.14 4.56 2.47 -1.02 -4.85 119.74 119.01 3m9f s LYS 45 Ca 0.53 0.15 -0.02 0.00 -1.56 0.00 0.00 55.97 55.07 3m9f s LYS 45 Cb -0.24 0.18 -0.02 0.00 -1.46 0.00 0.00 37.83 36.28 3m9f s LYS 45 CO 0.30 -0.07 -0.08 -1.64 0.16 0.00 0.00 175.35 174.03 3m9f s MET 46 N -0.33 3.53 0.08 4.03 -1.94 -1.26 -1.08 119.30 122.32 3m9f s MET 46 Ca -0.04 -0.59 0.08 0.00 -1.71 0.00 0.00 55.69 53.43 3m9f s MET 46 Cb -0.03 -2.79 -0.03 0.00 2.01 0.00 0.00 34.83 33.99 3m9f s MET 46 CO 0.01 0.25 -0.22 0.96 -0.01 0.00 0.00 175.02 176.01 3m9f s ILE 47 N 0.31 1.77 -0.16 2.53 -4.36 -0.87 -4.99 121.20 115.43 3m9f s ILE 47 Ca -0.06 -1.42 -0.07 0.00 -0.26 0.00 0.00 60.65 58.84 3m9f s ILE 47 Cb -0.15 -1.57 -0.04 0.00 1.25 0.00 0.00 42.46 41.95 3m9f s ILE 47 CO 0.04 0.08 0.07 -0.83 0.24 0.00 0.00 174.94 174.55 3m9f s GLY 48 N -1.60 1.96 0.13 6.27 0.00 -1.26 -1.17 107.32 111.65 3m9f s GLY 48 Ca 0.08 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.07 3m9f s GLY 48 CO 0.03 -0.11 0.01 0.61 0.00 0.00 0.00 173.10 173.64 3m9f n GLY 49 N 3.04 3.98 0.37 0.20 0.00 0.20 -4.97 105.19 108.01 3m9f n GLY 49 Ca -0.17 -2.25 0.11 0.00 0.00 0.00 0.00 46.02 43.71 3m9f n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3m9f h ILE 50 N 1.04 0.89 -0.02 -0.61 6.09 -2.03 -2.86 117.51 120.01 3m9f h ILE 50 Ca -0.11 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 63.17 3m9f h ILE 50 Cb 0.33 0.22 0.00 0.00 0.47 0.00 0.00 36.82 37.85 3m9f h ILE 50 CO 0.18 0.11 -0.14 0.61 -3.07 0.00 0.00 178.15 175.84 3m9f n GLY 51 N -1.47 0.51 0.00 8.18 0.00 -1.26 -5.07 105.19 106.08 3m9f n GLY 51 Ca 0.14 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3m9f n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m9f n GLY 52 N 1.34 0.73 3.85 -0.02 0.00 -1.08 -5.11 105.19 104.91 3m9f n GLY 52 Ca 0.13 -2.11 -0.31 0.00 0.00 0.00 0.00 46.02 43.74 3m9f n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3m9f s PHE 53 N -1.31 3.37 0.12 1.61 0.08 -1.26 0.62 117.98 121.20 3m9f s PHE 53 Ca 0.00 0.17 0.05 0.00 0.12 0.00 0.00 56.93 57.27 3m9f s PHE 53 Cb 0.00 -1.69 -0.04 0.00 -0.57 0.00 0.00 43.02 40.72 3m9f s PHE 53 CO 0.00 0.56 -0.12 0.96 -0.10 0.00 0.00 175.22 176.52 3m9f s ILE 54 N -1.46 1.14 0.05 0.64 -4.36 -0.32 -4.96 121.20 111.93 3m9f s ILE 54 Ca 0.32 -1.74 -0.20 0.00 -0.26 0.00 0.00 60.65 58.77 3m9f s ILE 54 Cb -0.13 -1.51 -0.06 0.00 1.25 0.00 0.00 42.46 42.02 3m9f s ILE 54 CO 0.25 -0.53 0.60 -0.54 0.24 0.00 0.00 174.94 174.96 3m9f s LYS 55 N -2.89 4.27 0.18 0.37 1.02 -1.26 -2.06 119.74 119.39 3m9f s LYS 55 Ca 0.09 0.77 0.02 0.00 0.02 0.00 0.00 55.97 56.87 3m9f s LYS 55 Cb -0.03 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 33.95 3m9f s LYS 55 CO 0.01 0.52 -0.01 0.14 -0.92 0.00 0.00 175.35 175.10 3m9f s VAL 56 N -0.73 0.79 -0.19 3.17 -7.23 -0.24 -4.68 120.40 111.29 3m9f s VAL 56 Ca 0.30 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.35 3m9f s VAL 56 Cb -0.19 -2.15 -0.05 0.00 0.56 0.00 0.00 36.38 34.55 3m9f s VAL 56 CO 0.19 -0.46 0.23 -0.13 -0.31 0.00 0.00 175.10 174.62 3m9f s ARG 57 N -3.89 4.20 -0.33 4.82 0.52 -0.00 -2.43 118.95 121.84 3m9f s ARG 57 Ca 0.24 -0.05 -0.11 0.00 -0.52 0.00 0.00 55.73 55.29 3m9f s ARG 57 Cb 0.06 -3.45 -0.01 0.00 0.52 0.00 0.00 34.95 32.07 3m9f s ARG 57 CO 0.05 0.21 0.19 -1.14 0.02 0.00 0.00 175.30 174.63 3m9f s GLN 58 N 0.59 3.36 -0.19 3.54 0.74 0.53 -0.90 119.66 127.33 3m9f s GLN 58 Ca 0.13 -0.71 -0.06 0.00 0.05 0.00 0.00 55.36 54.76 3m9f s GLN 58 Cb -0.12 -3.67 -0.03 0.00 1.10 0.00 0.00 33.01 30.28 3m9f s GLN 58 CO 0.02 -0.45 0.04 0.71 -0.55 0.00 0.00 175.29 175.06 3m9f s TYR 59 N 1.65 3.14 0.19 1.67 1.51 -0.31 -1.46 117.35 123.74 3m9f s TYR 59 Ca 0.05 -0.17 0.01 0.00 -1.01 0.00 0.00 57.07 55.95 3m9f s TYR 59 Cb -0.17 -2.09 -0.04 0.00 -0.11 0.00 0.00 41.96 39.55 3m9f s TYR 59 CO 0.08 -0.04 0.35 -0.51 -1.11 0.00 0.00 175.55 174.32 3m9f s ASP 60 N 0.72 6.36 -1.27 2.29 -0.00 -1.26 -0.66 116.67 122.84 3m9f s ASP 60 Ca 0.02 0.28 -0.02 0.00 -0.00 0.00 0.00 52.55 52.82 3m9f s ASP 60 Cb -0.14 -1.96 -0.01 0.00 -0.00 0.00 0.00 42.92 40.82 3m9f s ASP 60 CO 0.02 -0.02 0.72 1.67 -0.00 0.00 0.00 175.17 177.56 3m9f n GLN 61 N -0.75 -4.38 -3.74 8.23 7.27 -1.13 -4.90 117.38 117.97 3m9f n GLN 61 Ca -0.06 0.62 -0.36 0.00 0.07 0.00 0.00 57.00 57.27 3m9f n GLN 61 Cb 0.54 -5.12 -0.07 0.00 2.41 0.00 0.00 30.24 28.01 3m9f n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3m9f s ILE 62 N -3.63 5.41 -0.04 1.69 -1.09 0.09 -4.73 121.20 118.89 3m9f s ILE 62 Ca 0.08 0.28 -0.30 0.00 -2.23 0.00 0.00 60.65 58.48 3m9f s ILE 62 Cb -0.02 -3.48 -0.03 0.00 -1.58 0.00 0.00 42.46 37.35 3m9f s ILE 62 CO 0.81 0.50 1.05 -0.76 -1.23 0.00 0.00 174.94 175.32 3m9f s LEU 63 N -0.18 4.31 -0.14 2.97 1.02 -1.26 -1.49 118.68 123.91 3m9f s LEU 63 Ca 0.12 1.67 -0.09 0.00 0.02 0.00 0.00 54.13 55.86 3m9f s LEU 63 Cb -0.12 -3.56 0.05 0.00 0.02 0.00 0.00 46.19 42.57 3m9f s LEU 63 CO 0.02 -0.41 0.34 -0.51 0.02 0.00 0.00 176.35 175.80 3m9f s ILE 64 N 1.60 -0.02 -0.15 -0.59 2.07 -0.42 -4.47 121.20 119.21 3m9f s ILE 64 Ca 0.52 0.08 -0.05 0.00 -1.41 0.00 0.00 60.65 59.79 3m9f s ILE 64 Cb -0.21 -0.49 -0.03 0.00 0.13 0.00 0.00 42.46 41.85 3m9f s ILE 64 CO 0.23 0.03 0.00 -0.70 -1.91 0.00 0.00 174.94 172.60 3m9f s GLU 65 N 0.97 3.65 -0.19 3.50 2.12 -0.30 -0.80 118.70 127.66 3m9f s GLU 65 Ca -0.06 -0.44 0.01 0.00 0.36 0.00 0.00 54.97 54.83 3m9f s GLU 65 Cb -0.07 -2.99 0.04 0.00 0.26 0.00 0.00 34.13 31.37 3m9f s GLU 65 CO -0.07 0.34 -0.10 0.42 -0.54 0.00 0.00 175.26 175.31 3m9f s ILE 66 N 0.13 1.54 -1.54 -3.70 1.01 0.91 -0.62 121.20 118.93 3m9f s ILE 66 Ca 0.01 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 59.68 3m9f s ILE 66 Cb -0.13 -1.63 0.05 0.00 0.01 0.00 0.00 42.46 40.77 3m9f s ILE 66 CO 0.02 0.18 0.41 0.00 0.00 0.00 0.00 174.94 175.55 3m9f n GLY 68 N -1.94 1.70 3.66 0.00 0.00 -1.26 -5.03 105.19 102.33 3m9f n GLY 68 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 3m9f n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3m9f s HIS 69 N -3.62 3.31 0.15 1.61 4.02 0.25 -5.08 115.29 115.93 3m9f s HIS 69 Ca 0.00 0.17 -0.27 0.00 1.02 0.00 0.00 55.06 55.98 3m9f s HIS 69 Cb 0.00 -2.16 -0.07 0.00 -1.02 0.00 0.00 32.58 29.33 3m9f s HIS 69 CO 0.00 0.15 0.83 0.15 1.02 0.00 0.00 174.74 176.89 3m9f s LYS 70 N 0.60 4.63 0.05 1.40 1.02 -1.26 -0.06 119.74 126.12 3m9f s LYS 70 Ca 0.06 1.25 0.00 0.00 0.02 0.00 0.00 55.97 57.30 3m9f s LYS 70 Cb -0.12 -3.30 -0.03 0.00 -0.52 0.00 0.00 37.83 33.85 3m9f s LYS 70 CO 0.01 0.45 -0.04 0.00 -0.92 0.00 0.00 175.35 174.85 3m9f s ALA 71 N -0.78 0.48 -0.16 5.17 0.00 0.02 -4.82 121.76 121.68 3m9f s ALA 71 Ca 0.39 -1.00 -0.05 0.00 0.00 0.00 0.00 51.96 51.30 3m9f s ALA 71 Cb -0.23 0.19 0.06 0.00 0.00 0.00 0.00 23.12 23.13 3m9f s ALA 71 CO 0.27 -0.24 0.09 0.42 0.00 0.00 0.00 175.76 176.30 3m9f s ILE 72 N -2.86 -0.09 0.00 0.00 1.01 -1.26 -1.30 121.20 116.70 3m9f s ILE 72 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.54 3m9f s ILE 72 Cb 0.00 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.94 3m9f s ILE 72 CO -0.05 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.26 3m9f n GLY 73 N 5.28 1.54 3.72 6.18 0.00 -0.55 -4.76 105.19 116.60 3m9f n GLY 73 Ca -0.07 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 3m9f n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3m9f s THR 74 N -2.52 4.58 -0.10 2.61 2.01 -1.26 -0.73 115.64 120.23 3m9f s THR 74 Ca 0.00 2.03 0.01 0.00 0.31 0.00 0.00 61.69 64.03 3m9f s THR 74 Cb 0.00 -4.30 0.02 0.00 0.01 0.00 0.00 72.50 68.23 3m9f s THR 74 CO 0.00 0.26 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.39 3m9f s VAL 75 N 0.35 1.13 0.03 3.82 1.01 0.16 -4.54 120.40 122.36 3m9f s VAL 75 Ca 0.49 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 62.00 3m9f s VAL 75 Cb -0.23 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 3m9f s VAL 75 CO 0.29 0.37 0.29 -0.76 0.00 0.00 0.00 175.10 175.30 3m9f s LEU 76 N 1.23 4.36 -0.09 3.92 1.43 -0.42 -1.17 118.68 127.94 3m9f s LEU 76 Ca -0.04 0.58 0.02 0.00 -1.03 0.00 0.00 54.13 53.66 3m9f s LEU 76 Cb -0.14 -2.77 0.01 0.00 0.03 0.00 0.00 46.19 43.33 3m9f s LEU 76 CO -0.03 0.23 -0.14 -0.69 0.23 0.00 0.00 176.35 175.94 3m9f s VAL 77 N -1.34 1.38 -1.28 -1.59 1.01 -0.08 -0.34 120.40 118.17 3m9f s VAL 77 Ca 0.29 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3m9f s VAL 77 Cb -0.13 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 34.99 3m9f s VAL 77 CO 0.17 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.30 3m9f n GLY 78 N 4.01 -1.36 2.91 4.51 0.00 -0.87 -0.82 105.19 113.56 3m9f n GLY 78 Ca -0.20 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 3m9f n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3m9f n PRO 79 N -0.07 2.11 -3.60 1.61 -0.04 -1.26 -3.87 135.00 129.88 3m9f n PRO 79 Ca 0.00 -2.12 -0.35 0.00 -0.04 0.00 0.00 63.50 60.98 3m9f n PRO 79 Cb 0.00 -3.03 -0.06 0.00 -0.04 0.00 0.00 33.50 30.37 3m9f n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3m9f s THR 80 N 4.14 5.13 0.48 0.52 -1.32 -1.26 -5.00 115.64 118.34 3m9f s THR 80 Ca 0.53 0.47 0.16 0.00 -1.21 0.00 0.00 61.69 61.63 3m9f s THR 80 Cb 0.14 -3.64 0.30 0.00 -1.51 0.00 0.00 72.50 67.80 3m9f s THR 80 CO 0.03 0.36 2.07 -0.65 -2.21 0.00 0.00 174.62 174.22 3m9f h PRO 81 N 3.98 0.18 -3.45 7.08 0.11 -1.98 -3.44 132.00 134.48 3m9f h PRO 81 Ca -0.50 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 3m9f h PRO 81 Cb 1.20 -0.04 -0.16 0.00 0.11 0.00 0.00 31.00 32.11 3m9f h PRO 81 CO 0.65 0.12 -0.28 0.14 -0.21 0.00 0.00 178.00 178.42 3m9f s VAL 82 N -5.20 0.10 0.17 3.15 -7.23 -1.26 -5.11 120.40 105.02 3m9f s VAL 82 Ca -0.06 -0.80 -0.31 0.00 -1.81 0.00 0.00 61.98 59.00 3m9f s VAL 82 Cb 0.18 -1.03 -0.09 0.00 0.56 0.00 0.00 36.38 35.99 3m9f s VAL 82 CO 0.71 -0.44 1.48 0.20 -0.31 0.00 0.00 175.10 176.74 3m9f s ASN 83 N -2.29 6.68 -0.10 4.85 0.01 -1.26 -4.73 114.94 118.09 3m9f s ASN 83 Ca -0.02 2.54 0.02 0.00 -0.71 0.00 0.00 52.86 54.68 3m9f s ASN 83 Cb 0.00 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.08 3m9f s ASN 83 CO -0.06 -0.74 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.03 3m9f s ILE 84 N 0.86 1.34 -0.36 0.60 1.01 0.30 -0.23 121.20 124.73 3m9f s ILE 84 Ca 0.66 -0.55 -0.14 0.00 0.00 0.00 0.00 60.65 60.62 3m9f s ILE 84 Cb -0.41 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.81 3m9f s ILE 84 CO 0.34 0.41 0.31 -0.63 0.00 0.00 0.00 174.94 175.36 3m9f s ILE 85 N 1.01 5.22 0.39 2.92 -1.09 0.54 -1.13 121.20 129.06 3m9f s ILE 85 Ca -0.07 -0.21 0.06 0.00 -2.23 0.00 0.00 60.65 58.20 3m9f s ILE 85 Cb -0.15 -3.82 0.06 0.00 -1.58 0.00 0.00 42.46 36.98 3m9f s ILE 85 CO -0.01 -0.13 0.54 0.61 -1.23 0.00 0.00 174.94 174.72 3m9f n GLY 86 N 5.07 1.96 0.27 6.18 0.00 -1.23 -0.98 105.19 116.45 3m9f n GLY 86 Ca -0.11 -2.20 0.11 0.00 0.00 0.00 0.00 46.02 43.83 3m9f n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3m9f h ARG 87 N 0.00 0.00 -0.44 1.61 3.08 -0.61 -1.26 114.38 116.76 3m9f h ARG 87 Ca -0.18 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.89 3m9f h ARG 87 Cb 0.84 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 3m9f h ARG 87 CO 0.26 0.04 0.30 -2.95 -1.07 0.00 0.00 179.97 176.55 3m9f h ASN 88 N 0.00 0.43 0.00 7.04 -1.07 -1.75 -2.07 115.58 118.16 3m9f h ASN 88 Ca -0.00 -0.01 -0.25 0.00 0.07 0.00 0.00 56.30 56.11 3m9f h ASN 88 Cb 0.09 -0.10 -0.05 0.00 -2.07 0.00 0.00 38.32 36.19 3m9f h ASN 88 CO 0.01 0.30 -2.24 0.18 0.07 0.00 0.00 177.43 175.75 3m9f n LEU 89 N -4.48 0.00 -0.22 6.14 4.77 -0.77 -4.05 117.00 118.39 3m9f n LEU 89 Ca 0.05 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.06 3m9f n LEU 89 Cb 0.14 0.34 0.28 0.00 -2.33 0.00 0.00 43.42 41.84 3m9f n LEU 89 CO 0.35 0.34 1.23 -0.07 -1.33 0.00 0.00 177.39 177.91 3m9f h LEU 90 N 0.00 0.81 -0.59 2.23 3.38 -1.11 -1.96 115.31 118.07 3m9f h LEU 90 Ca -0.37 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.48 3m9f h LEU 90 Cb 1.83 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.38 3m9f h LEU 90 CO 0.02 0.55 -0.07 0.71 0.09 0.00 0.00 178.44 179.74 3m9f h THR 91 N 0.94 1.27 -0.62 0.22 1.35 -1.57 -0.92 112.91 113.57 3m9f h THR 91 Ca 0.31 -1.23 0.04 0.00 -0.55 0.00 0.00 66.41 64.98 3m9f h THR 91 Cb 0.06 0.90 -0.04 0.00 -1.73 0.00 0.00 68.15 67.35 3m9f h THR 91 CO -0.09 0.44 0.41 1.56 -0.25 0.00 0.00 175.52 177.59 3m9f h GLN 92 N 0.94 0.69 -0.05 4.72 4.20 -1.51 -2.32 115.11 121.77 3m9f h GLN 92 Ca 0.15 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3m9f h GLN 92 Cb 0.64 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.26 3m9f h GLN 92 CO 0.04 0.45 0.00 0.44 -0.67 0.00 0.00 178.83 179.10 3m9f n ILE 93 N -4.47 0.05 -1.49 2.54 -5.35 -0.92 -4.94 119.36 104.78 3m9f n ILE 93 Ca 0.08 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 3m9f n ILE 93 Cb 0.16 0.54 0.00 0.00 -1.74 0.00 0.00 39.64 38.60 3m9f n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3m9f n GLY 94 N 1.18 0.65 3.74 3.28 0.00 -0.87 -5.03 105.19 108.13 3m9f n GLY 94 Ca 0.18 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 3m9f n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m9f s THR 96 N -0.23 0.77 -0.05 0.00 -4.23 -1.26 -4.69 115.64 105.95 3m9f s THR 96 Ca 0.42 -1.99 -0.08 0.00 -1.18 0.00 0.00 61.69 58.86 3m9f s THR 96 Cb -0.22 -2.14 -0.04 0.00 1.34 0.00 0.00 72.50 71.43 3m9f s THR 96 CO 0.27 -0.47 0.23 -0.76 -0.54 0.00 0.00 174.62 173.35 3m9f s LEU 97 N -3.20 4.39 -0.05 4.79 1.43 -1.26 -5.10 118.68 119.69 3m9f s LEU 97 Ca 0.24 0.56 -0.03 0.00 -1.03 0.00 0.00 54.13 53.87 3m9f s LEU 97 Cb 0.06 -2.40 0.03 0.00 0.03 0.00 0.00 46.19 43.91 3m9f s LEU 97 CO 0.05 0.33 0.12 0.20 0.23 0.00 0.00 176.35 177.28 3m9f s ASN 98 N -1.34 -0.10 0.00 2.29 0.01 -1.26 -5.29 114.94 109.25 3m9f s ASN 98 Ca 0.22 0.25 0.00 0.00 -0.71 0.00 0.00 52.86 52.62 3m9f s ASN 98 Cb -0.13 0.19 0.00 0.00 0.41 0.00 0.00 41.25 41.71 3m9f s ASN 98 CO 0.11 -0.10 0.00 2.22 -1.51 0.00 0.00 177.10 177.82