#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fdd s GLN 2 N 0.00 2.07 -0.21 0.54 0.74 -1.26 -5.10 119.66 116.44 2fdd s GLN 2 Ca 0.00 -0.96 0.01 0.00 0.05 0.00 0.00 55.36 54.46 2fdd s GLN 2 Cb 0.00 -2.12 0.05 0.00 1.10 0.00 0.00 33.01 32.04 2fdd s GLN 2 CO 0.00 0.55 -0.10 0.42 -0.55 0.00 0.00 175.29 175.61 2fdd s ILE 3 N -0.78 1.69 0.44 -2.34 1.01 -1.26 -5.12 121.20 114.85 2fdd s ILE 3 Ca 0.12 -1.09 -0.16 0.00 0.00 0.00 0.00 60.65 59.53 2fdd s ILE 3 Cb -0.10 -1.78 -0.08 0.00 0.01 0.00 0.00 42.46 40.50 2fdd s ILE 3 CO 0.02 0.13 0.89 0.42 0.00 0.00 0.00 174.94 176.40 2fdd s THR 4 N 1.37 4.59 -0.36 2.92 -4.23 -1.26 -5.00 115.64 113.66 2fdd s THR 4 Ca -0.02 1.09 0.09 0.00 -1.18 0.00 0.00 61.69 61.67 2fdd s THR 4 Cb -0.17 -3.68 0.66 0.00 1.34 0.00 0.00 72.50 70.65 2fdd s THR 4 CO -0.08 -0.49 1.64 0.18 -0.54 0.00 0.00 174.62 175.33 2fdd n LEU 5 N -1.12 5.43 0.02 4.79 4.77 -1.26 -4.38 117.00 125.24 2fdd n LEU 5 Ca 0.05 -2.81 0.09 0.00 -0.03 0.00 0.00 56.01 53.31 2fdd n LEU 5 Cb 0.54 -0.70 0.37 0.00 -2.33 0.00 0.00 43.42 41.30 2fdd n LEU 5 CO 0.44 0.70 0.78 -2.67 -1.33 0.00 0.00 177.39 175.31 2fdd n TRP 6 N 0.06 0.11 -4.19 -1.77 4.27 -1.26 -4.70 117.44 109.96 2fdd n TRP 6 Ca 0.33 0.04 -0.11 0.00 -3.89 0.00 0.00 57.50 53.87 2fdd n TRP 6 Cb 1.21 -0.57 -0.10 0.00 -1.36 0.00 0.00 31.31 30.49 2fdd n TRP 6 CO 0.00 0.00 0.00 1.14 -2.29 0.00 0.00 177.69 176.54 2fdd s GLN 7 N -3.04 0.95 0.23 -2.67 -2.07 -1.26 -5.12 119.66 106.68 2fdd s GLN 7 Ca 0.08 -1.43 -0.31 0.00 -1.82 0.00 0.00 55.36 51.88 2fdd s GLN 7 Cb 0.11 -0.08 -0.10 0.00 -1.09 0.00 0.00 33.01 31.85 2fdd s GLN 7 CO 0.32 -0.13 1.52 1.03 -1.32 0.00 0.00 175.29 176.71 2fdd s ARG 8 N -3.93 4.21 -1.27 9.60 0.52 -1.26 -4.88 118.95 121.95 2fdd s ARG 8 Ca 0.19 2.39 -0.19 0.00 -0.52 0.00 0.00 55.73 57.61 2fdd s ARG 8 Cb 0.06 -3.10 0.02 0.00 0.52 0.00 0.00 34.95 32.45 2fdd s ARG 8 CO -0.00 -0.53 1.87 -0.35 0.02 0.00 0.00 175.30 176.30 2fdd n PRO 9 N 2.83 2.71 -3.28 3.54 -0.04 -1.26 -4.95 135.00 134.55 2fdd n PRO 9 Ca 0.09 -2.92 -0.39 0.00 -0.04 0.00 0.00 63.50 60.25 2fdd n PRO 9 Cb 0.39 -3.48 -0.06 0.00 -0.04 0.00 0.00 33.50 30.31 2fdd n PRO 9 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2fdd s ILE 10 N 5.54 4.91 0.15 0.52 -1.09 -1.26 -1.00 121.20 128.97 2fdd s ILE 10 Ca 0.56 1.15 0.03 0.00 -2.23 0.00 0.00 60.65 60.16 2fdd s ILE 10 Cb 0.05 -3.88 -0.04 0.00 -1.58 0.00 0.00 42.46 37.01 2fdd s ILE 10 CO 0.07 0.47 -0.06 0.68 -1.23 0.00 0.00 174.94 174.86 2fdd s VAL 11 N -0.47 0.94 -0.00 2.92 -7.23 0.06 -4.95 120.40 111.67 2fdd s VAL 11 Ca 0.29 -2.01 -0.16 0.00 -1.81 0.00 0.00 61.98 58.29 2fdd s VAL 11 Cb -0.18 -1.90 -0.06 0.00 0.56 0.00 0.00 36.38 34.80 2fdd s VAL 11 CO 0.16 -0.69 0.44 -0.89 -0.31 0.00 0.00 175.10 173.81 2fdd s THR 12 N -3.48 5.00 0.22 5.32 2.01 -1.26 -1.28 115.64 122.17 2fdd s THR 12 Ca 0.18 0.90 0.06 0.00 0.31 0.00 0.00 61.69 63.14 2fdd s THR 12 Cb 0.04 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 2fdd s THR 12 CO 0.01 0.55 -0.09 0.27 -0.69 0.00 0.00 174.62 174.66 2fdd s ILE 13 N -0.91 1.49 -0.11 1.82 -4.36 0.16 -3.83 121.20 115.45 2fdd s ILE 13 Ca 0.25 -2.13 -0.00 0.00 -0.26 0.00 0.00 60.65 58.50 2fdd s ILE 13 Cb -0.17 -2.15 0.02 0.00 1.25 0.00 0.00 42.46 41.41 2fdd s ILE 13 CO 0.14 -0.51 -0.08 -0.75 0.24 0.00 0.00 174.94 173.98 2fdd s LYS 14 N -3.72 1.53 -0.13 0.37 2.20 -0.38 -1.39 119.74 118.22 2fdd s LYS 14 Ca 0.24 -0.26 -0.08 0.00 -0.36 0.00 0.00 55.97 55.51 2fdd s LYS 14 Cb 0.02 -1.57 0.05 0.00 -1.51 0.00 0.00 37.83 34.82 2fdd s LYS 14 CO 0.07 -0.25 0.32 -1.50 -0.36 0.00 0.00 175.35 173.63 2fdd s ILE 15 N 1.65 -0.03 -1.23 5.43 2.07 0.06 -1.36 121.20 127.78 2fdd s ILE 15 Ca 0.04 0.10 -0.01 0.00 -1.41 0.00 0.00 60.65 59.37 2fdd s ILE 15 Cb -0.13 -0.47 0.00 0.00 0.13 0.00 0.00 42.46 41.99 2fdd s ILE 15 CO -0.07 0.04 0.12 0.61 -1.91 0.00 0.00 174.94 173.73 2fdd n GLY 16 N 3.99 -0.23 2.93 1.50 0.00 -1.26 -1.88 105.19 110.24 2fdd n GLY 16 Ca -0.22 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2fdd n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fdd n GLY 17 N -1.09 0.49 3.41 -0.02 0.00 -1.26 -4.99 105.19 101.72 2fdd n GLY 17 Ca -0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 2fdd n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2fdd s GLN 18 N -0.53 1.47 -0.06 1.61 -2.07 -0.79 -5.12 119.66 114.17 2fdd s GLN 18 Ca 0.00 -1.49 -0.12 0.00 -1.82 0.00 0.00 55.36 51.94 2fdd s GLN 18 Cb 0.00 -1.78 -0.05 0.00 -1.09 0.00 0.00 33.01 30.09 2fdd s GLN 18 CO 0.00 0.39 0.30 -0.65 -1.32 0.00 0.00 175.29 174.00 2fdd s GLN 19 N -2.60 3.75 0.22 9.60 -0.21 -1.26 -0.76 119.66 128.39 2fdd s GLN 19 Ca 0.19 0.18 -0.05 0.00 0.02 0.00 0.00 55.36 55.70 2fdd s GLN 19 Cb -0.08 -3.22 -0.03 0.00 1.00 0.00 0.00 33.01 30.68 2fdd s GLN 19 CO 0.09 0.70 0.25 1.03 -2.12 0.00 0.00 175.29 175.24 2fdd s ARG 20 N -0.97 1.33 0.05 2.91 1.81 -0.49 -4.98 118.95 118.60 2fdd s ARG 20 Ca 0.20 -1.50 0.05 0.00 -1.72 0.00 0.00 55.73 52.76 2fdd s ARG 20 Cb -0.15 0.34 -0.04 0.00 -0.45 0.00 0.00 34.95 34.66 2fdd s ARG 20 CO 0.09 -0.48 -0.08 -1.21 -0.68 0.00 0.00 175.30 172.94 2fdd s GLU 21 N -4.10 2.37 0.07 3.54 2.02 -1.26 -0.67 118.70 120.67 2fdd s GLU 21 Ca 0.33 -0.85 -0.17 0.00 0.02 0.00 0.00 54.97 54.30 2fdd s GLU 21 Cb 0.04 -2.41 0.04 0.00 0.10 0.00 0.00 34.13 31.90 2fdd s GLU 21 CO 0.11 0.56 0.41 0.00 0.02 0.00 0.00 175.26 176.36 2fdd s ALA 22 N -1.08 -0.97 -0.18 5.21 0.00 -0.41 -4.65 121.76 119.68 2fdd s ALA 22 Ca 0.19 0.17 -0.17 0.00 0.00 0.00 0.00 51.96 52.15 2fdd s ALA 22 Cb -0.11 0.48 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 2fdd s ALA 22 CO 0.10 -0.53 0.43 -1.17 0.00 0.00 0.00 175.76 174.59 2fdd s LEU 23 N -2.31 4.18 -0.27 0.00 2.96 -0.31 -0.76 118.68 122.18 2fdd s LEU 23 Ca -0.02 0.60 -0.29 0.00 -0.22 0.00 0.00 54.13 54.20 2fdd s LEU 23 Cb 0.00 -2.57 -0.01 0.00 0.50 0.00 0.00 46.19 44.11 2fdd s LEU 23 CO -0.06 -0.06 1.44 -0.76 -1.32 0.00 0.00 176.35 175.59 2fdd s LEU 24 N 1.16 3.87 -0.34 -0.68 1.43 -0.17 -0.43 118.68 123.53 2fdd s LEU 24 Ca 0.21 1.38 0.02 0.00 -1.03 0.00 0.00 54.13 54.71 2fdd s LEU 24 Cb -0.15 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.64 2fdd s LEU 24 CO 0.08 -1.17 0.07 -0.62 0.23 0.00 0.00 176.35 174.94 2fdd s ASP 25 N 3.48 4.51 0.39 2.29 3.68 -0.23 -4.77 116.67 126.02 2fdd s ASP 25 Ca 0.63 -2.03 0.28 0.00 2.13 0.00 0.00 52.55 53.57 2fdd s ASP 25 Cb -0.20 -1.38 1.18 0.00 -1.45 0.00 0.00 42.92 41.06 2fdd s ASP 25 CO 0.26 -0.39 1.84 0.71 0.13 0.00 0.00 175.17 177.72 2fdd h THR 26 N 6.52 0.00 -0.06 1.71 1.35 -1.92 -2.27 112.91 118.24 2fdd h THR 26 Ca -0.07 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2fdd h THR 26 Cb 1.01 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2fdd h THR 26 CO 0.51 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 2fdd n GLY 27 N -0.02 -0.06 3.50 5.82 0.00 -1.26 -4.81 105.19 108.35 2fdd n GLY 27 Ca 0.01 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 2fdd n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fdd s ALA 28 N -1.93 3.14 0.09 4.61 0.00 -0.85 -4.99 121.76 121.82 2fdd s ALA 28 Ca 0.37 -0.93 -0.15 0.00 0.00 0.00 0.00 51.96 51.24 2fdd s ALA 28 Cb 0.20 -1.83 -0.11 0.00 0.00 0.00 0.00 23.12 21.37 2fdd s ALA 28 CO 0.31 -0.08 1.37 -0.44 0.00 0.00 0.00 175.76 176.92 2fdd h ASP 29 N 7.33 0.76 -1.53 0.00 3.45 -1.87 0.53 116.42 125.09 2fdd h ASP 29 Ca -0.36 -0.52 -0.60 0.00 0.43 0.00 0.00 57.03 55.98 2fdd h ASP 29 Cb 1.18 -0.22 -0.11 0.00 -0.56 0.00 0.00 39.33 39.62 2fdd h ASP 29 CO 0.63 1.13 -0.54 -1.81 -1.57 0.00 0.00 179.24 177.08 2fdd s ASP 30 N -6.65 4.17 -0.23 6.45 1.01 -1.26 -2.43 116.67 117.73 2fdd s ASP 30 Ca -0.12 -1.25 -0.10 0.00 0.71 0.00 0.00 52.55 51.79 2fdd s ASP 30 Cb 0.08 -0.36 -0.05 0.00 1.01 0.00 0.00 42.92 43.60 2fdd s ASP 30 CO 0.84 -0.53 0.15 -0.89 0.21 0.00 0.00 175.17 174.95 2fdd s THR 31 N -2.67 5.33 -0.11 -1.27 2.01 -1.26 -3.23 115.64 114.43 2fdd s THR 31 Ca 0.36 0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.54 2fdd s THR 31 Cb 0.06 -3.47 0.02 0.00 0.01 0.00 0.00 72.50 69.12 2fdd s THR 31 CO 0.19 0.36 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.67 2fdd s VAL 32 N 0.95 1.32 -0.01 3.82 1.01 -0.43 -0.43 120.40 126.63 2fdd s VAL 32 Ca 0.07 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.61 2fdd s VAL 32 Cb -0.13 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 2fdd s VAL 32 CO 0.03 0.41 -0.22 -0.76 0.00 0.00 0.00 175.10 174.56 2fdd s LEU 33 N 1.26 2.05 -0.14 3.92 1.43 0.11 -0.48 118.68 126.83 2fdd s LEU 33 Ca -0.02 -0.41 0.11 0.00 -1.03 0.00 0.00 54.13 52.78 2fdd s LEU 33 Cb -0.14 -1.15 -0.16 0.00 0.03 0.00 0.00 46.19 44.77 2fdd s LEU 33 CO -0.05 0.27 0.03 1.21 0.23 0.00 0.00 176.35 178.04 2fdd n GLU 34 N 2.49 1.67 -1.55 1.70 2.13 -1.25 -2.34 120.64 123.48 2fdd n GLU 34 Ca -0.16 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.32 2fdd n GLU 34 Cb 0.52 -1.34 0.04 0.00 0.27 0.00 0.00 31.44 30.93 2fdd n GLU 34 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 2fdd n ASP 35 N -2.55 7.39 -3.86 4.31 5.75 -1.26 -4.79 116.55 121.54 2fdd n ASP 35 Ca -0.23 -3.68 -0.09 0.00 -0.01 0.00 0.00 54.79 50.78 2fdd n ASP 35 Cb 0.93 -1.05 -0.08 0.00 -1.03 0.00 0.00 41.12 39.89 2fdd n ASP 35 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 2fdd s ILE 36 N -4.41 0.13 -0.14 2.12 -4.36 -1.26 -5.09 121.20 108.19 2fdd s ILE 36 Ca 0.56 -1.10 0.02 0.00 -0.26 0.00 0.00 60.65 59.87 2fdd s ILE 36 Cb 0.44 -1.20 0.01 0.00 1.25 0.00 0.00 42.46 42.97 2fdd s ILE 36 CO -0.20 -0.61 -0.21 0.20 0.24 0.00 0.00 174.94 174.36 2fdd s ASN 37 N -2.60 3.06 -0.00 4.36 0.01 -1.26 -4.98 114.94 113.53 2fdd s ASN 37 Ca 0.02 -0.60 0.02 0.00 -0.71 0.00 0.00 52.86 51.59 2fdd s ASN 37 Cb 0.03 -1.42 -0.04 0.00 0.41 0.00 0.00 41.25 40.23 2fdd s ASN 37 CO -0.09 0.06 -0.02 -0.76 -1.51 0.00 0.00 177.10 174.78 2fdd s LEU 38 N 0.91 3.39 0.48 0.60 1.43 -1.26 -4.99 118.68 119.23 2fdd s LEU 38 Ca -0.05 -0.06 -0.13 0.00 -1.03 0.00 0.00 54.13 52.87 2fdd s LEU 38 Cb -0.15 -1.94 -0.07 0.00 0.03 0.00 0.00 46.19 44.07 2fdd s LEU 38 CO -0.04 0.28 0.89 -2.16 0.23 0.00 0.00 176.35 175.56 2fdd s PRO 39 N -1.49 3.81 0.37 1.29 0.04 -1.26 -5.00 135.00 132.77 2fdd s PRO 39 Ca 0.18 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.91 2fdd s PRO 39 Cb -0.11 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.18 2fdd s PRO 39 CO 0.09 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.34 2fdd n GLY 40 N -1.64 -2.36 3.79 0.56 0.00 -1.26 -4.98 105.19 99.31 2fdd n GLY 40 Ca 0.04 -1.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.00 2fdd n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2fdd s ARG 41 N -0.34 2.94 0.19 1.61 1.70 -1.26 -5.08 118.95 118.72 2fdd s ARG 41 Ca 0.00 1.18 -0.11 0.00 -0.47 0.00 0.00 55.73 56.33 2fdd s ARG 41 Cb 0.00 -1.98 -0.00 0.00 -0.57 0.00 0.00 34.95 32.39 2fdd s ARG 41 CO 0.00 -1.11 0.36 1.67 -1.08 0.00 0.00 175.30 175.14 2fdd s TRP 42 N -2.64 0.35 -0.09 5.89 1.48 -1.26 -4.72 118.94 117.94 2fdd s TRP 42 Ca 0.63 -0.70 0.03 0.00 -1.06 0.00 0.00 56.10 55.00 2fdd s TRP 42 Cb -0.17 0.05 -0.01 0.00 -1.16 0.00 0.00 33.47 32.18 2fdd s TRP 42 CO 0.45 -0.81 -0.19 0.15 -4.06 0.00 0.00 176.95 172.49 2fdd s LYS 43 N -3.97 2.94 0.45 3.25 1.02 -0.48 -4.90 119.74 118.05 2fdd s LYS 43 Ca 0.18 -0.79 -0.24 0.00 0.02 0.00 0.00 55.97 55.15 2fdd s LYS 43 Cb 0.02 -2.39 -0.07 0.00 -0.52 0.00 0.00 37.83 34.86 2fdd s LYS 43 CO 0.02 0.32 1.20 -1.25 -0.92 0.00 0.00 175.35 174.73 2fdd s PRO 44 N 0.02 3.78 0.04 -1.68 0.04 -1.26 -0.25 135.00 135.70 2fdd s PRO 44 Ca -0.07 1.87 -0.12 0.00 0.04 0.00 0.00 61.00 62.73 2fdd s PRO 44 Cb -0.15 -2.49 0.01 0.00 0.04 0.00 0.00 34.50 31.92 2fdd s PRO 44 CO 0.05 -0.56 0.26 0.21 0.04 0.00 0.00 177.00 177.00 2fdd s LYS 45 N -2.58 0.77 -0.11 4.56 2.20 -0.67 -4.83 119.74 119.08 2fdd s LYS 45 Ca 0.62 -0.57 0.02 0.00 -0.36 0.00 0.00 55.97 55.68 2fdd s LYS 45 Cb -0.31 0.33 0.01 0.00 -1.51 0.00 0.00 37.83 36.35 2fdd s LYS 45 CO 0.38 -0.24 -0.17 0.42 -0.36 0.00 0.00 175.35 175.38 2fdd s ILE 46 N -2.62 1.64 0.14 5.43 1.01 -1.26 -0.98 121.20 124.57 2fdd s ILE 46 Ca -0.05 -0.74 0.11 0.00 0.00 0.00 0.00 60.65 59.98 2fdd s ILE 46 Cb -0.01 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 2fdd s ILE 46 CO -0.04 0.47 -0.26 0.27 0.00 0.00 0.00 174.94 175.38 2fdd s ILE 47 N 0.86 2.24 0.08 2.92 -4.36 -1.00 -4.96 121.20 116.99 2fdd s ILE 47 Ca -0.08 -1.80 0.09 0.00 -0.26 0.00 0.00 60.65 58.59 2fdd s ILE 47 Cb -0.15 -2.00 -0.03 0.00 1.25 0.00 0.00 42.46 41.53 2fdd s ILE 47 CO -0.00 0.04 -0.23 -0.83 0.24 0.00 0.00 174.94 174.16 2fdd s GLY 48 N -2.16 1.29 0.00 6.27 0.00 -1.26 -1.41 107.32 110.04 2fdd s GLY 48 Ca 0.15 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.63 2fdd s GLY 48 CO 0.07 -1.20 0.00 0.61 0.00 0.00 0.00 173.10 172.58 2fdd n GLY 49 N 1.36 3.76 3.71 0.20 0.00 -0.73 -4.97 105.19 108.52 2fdd n GLY 49 Ca -0.18 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 2fdd n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fdd s VAL 50 N -2.08 3.04 0.00 1.61 1.01 -1.26 -2.01 120.40 120.72 2fdd s VAL 50 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.71 2fdd s VAL 50 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.91 2fdd s VAL 50 CO 0.00 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.76 2fdd n GLY 51 N 3.62 3.30 0.00 4.51 0.00 -1.26 -4.98 105.19 110.38 2fdd n GLY 51 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2fdd n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fdd n GLY 52 N -1.55 0.49 4.00 -0.02 0.00 -0.85 -5.10 105.19 102.16 2fdd n GLY 52 Ca 0.00 -2.17 -0.18 0.00 0.00 0.00 0.00 46.02 43.67 2fdd n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2fdd s PHE 53 N -0.70 3.01 -0.04 1.61 -0.12 -1.26 -1.78 117.98 118.70 2fdd s PHE 53 Ca 0.00 -0.28 -0.16 0.00 -0.05 0.00 0.00 56.93 56.44 2fdd s PHE 53 Cb 0.00 -2.13 0.03 0.00 -0.63 0.00 0.00 43.02 40.29 2fdd s PHE 53 CO 0.00 -0.15 0.36 0.54 -0.05 0.00 0.00 175.22 175.91 2fdd s VAL 54 N -2.24 0.04 -0.02 -2.49 0.11 -0.50 -4.99 120.40 110.31 2fdd s VAL 54 Ca 0.48 -0.36 -0.22 0.00 -2.93 0.00 0.00 61.98 58.95 2fdd s VAL 54 Cb -0.10 -0.64 -0.05 0.00 -1.53 0.00 0.00 36.38 34.06 2fdd s VAL 54 CO 0.32 -0.20 0.66 -0.54 -3.33 0.00 0.00 175.10 172.01 2fdd s LYS 55 N -1.09 4.40 0.26 1.54 1.02 -1.26 -2.38 119.74 122.22 2fdd s LYS 55 Ca -0.11 0.84 0.01 0.00 0.02 0.00 0.00 55.97 56.73 2fdd s LYS 55 Cb -0.04 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 33.83 2fdd s LYS 55 CO 0.04 0.23 0.13 0.14 -0.92 0.00 0.00 175.35 174.97 2fdd s VAL 56 N 0.24 0.32 -0.17 3.17 -7.23 -0.15 -4.52 120.40 112.06 2fdd s VAL 56 Ca 0.35 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.44 2fdd s VAL 56 Cb -0.18 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 2fdd s VAL 56 CO 0.18 0.00 0.10 -0.13 -0.31 0.00 0.00 175.10 174.94 2fdd s ARG 57 N -4.00 3.86 -0.36 4.82 0.52 0.52 -1.68 118.95 122.63 2fdd s ARG 57 Ca 0.38 -0.26 -0.12 0.00 -0.52 0.00 0.00 55.73 55.20 2fdd s ARG 57 Cb 0.07 -3.24 0.00 0.00 0.52 0.00 0.00 34.95 32.30 2fdd s ARG 57 CO 0.15 0.42 0.23 -1.14 0.02 0.00 0.00 175.30 174.98 2fdd s GLN 58 N -0.03 3.20 -0.19 3.54 0.74 0.65 -0.59 119.66 126.99 2fdd s GLN 58 Ca 0.08 -0.84 -0.08 0.00 0.05 0.00 0.00 55.36 54.58 2fdd s GLN 58 Cb -0.12 -3.78 -0.04 0.00 1.10 0.00 0.00 33.01 30.17 2fdd s GLN 58 CO 0.00 -0.56 0.07 0.71 -0.55 0.00 0.00 175.29 174.96 2fdd s TYR 59 N 1.65 3.23 0.22 1.67 1.51 -0.49 -1.38 117.35 123.76 2fdd s TYR 59 Ca 0.05 0.02 0.06 0.00 -1.01 0.00 0.00 57.07 56.18 2fdd s TYR 59 Cb -0.18 -2.11 -0.03 0.00 -0.11 0.00 0.00 41.96 39.53 2fdd s TYR 59 CO 0.09 0.09 0.24 -0.51 -1.11 0.00 0.00 175.55 174.34 2fdd s ASP 60 N 0.55 5.83 -1.31 2.29 1.01 -1.26 -0.94 116.67 122.84 2fdd s ASP 60 Ca 0.03 -0.09 -0.03 0.00 0.71 0.00 0.00 52.55 53.17 2fdd s ASP 60 Cb -0.13 -1.59 -0.00 0.00 1.01 0.00 0.00 42.92 42.21 2fdd s ASP 60 CO 0.01 -0.01 0.60 0.00 0.21 0.00 0.00 175.17 175.98 2fdd n GLN 61 N -0.99 -3.60 -3.43 8.23 6.02 -1.22 -4.93 117.38 117.46 2fdd n GLN 61 Ca -0.08 0.51 -0.38 0.00 -0.01 0.00 0.00 57.00 57.04 2fdd n GLN 61 Cb 0.56 -4.76 -0.07 0.00 1.02 0.00 0.00 30.24 27.00 2fdd n GLN 61 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2fdd s VAL 62 N -3.75 5.23 0.12 5.09 1.01 0.18 -4.79 120.40 123.48 2fdd s VAL 62 Ca 0.09 0.66 -0.30 0.00 0.00 0.00 0.00 61.98 62.42 2fdd s VAL 62 Cb -0.03 -3.70 -0.06 0.00 0.00 0.00 0.00 36.38 32.59 2fdd s VAL 62 CO 0.85 0.29 1.03 -2.84 0.00 0.00 0.00 175.10 174.43 2fdd s PRO 63 N 1.07 4.62 -0.10 2.72 0.02 -1.26 -1.76 135.00 140.31 2fdd s PRO 63 Ca 0.18 1.57 -0.10 0.00 0.02 0.00 0.00 61.00 62.67 2fdd s PRO 63 Cb -0.14 -3.35 0.03 0.00 0.02 0.00 0.00 34.50 31.05 2fdd s PRO 63 CO 0.07 0.09 0.29 -1.50 -0.33 0.00 0.00 177.00 175.62 2fdd s ILE 64 N 0.14 0.00 -0.19 2.83 2.07 0.07 -4.50 121.20 121.63 2fdd s ILE 64 Ca 0.49 -0.02 -0.02 0.00 -1.41 0.00 0.00 60.65 59.69 2fdd s ILE 64 Cb -0.26 -0.41 -0.01 0.00 0.13 0.00 0.00 42.46 41.91 2fdd s ILE 64 CO 0.31 -0.01 -0.08 -0.70 -1.91 0.00 0.00 174.94 172.55 2fdd s GLU 65 N 0.10 3.38 -0.05 3.50 2.12 -0.47 -1.17 118.70 126.11 2fdd s GLU 65 Ca -0.00 -0.65 0.03 0.00 0.36 0.00 0.00 54.97 54.71 2fdd s GLU 65 Cb -0.02 -2.86 0.01 0.00 0.26 0.00 0.00 34.13 31.51 2fdd s GLU 65 CO 0.01 -0.04 -0.13 0.42 -0.54 0.00 0.00 175.26 174.98 2fdd s ILE 66 N 1.03 1.15 0.00 -3.70 1.01 -0.12 -1.25 121.20 119.32 2fdd s ILE 66 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.13 2fdd s ILE 66 Cb -0.15 -1.03 0.00 0.00 0.01 0.00 0.00 42.46 41.30 2fdd s ILE 66 CO -0.01 0.35 0.00 0.00 0.00 0.00 0.00 174.94 175.28 2fdd n GLY 68 N 0.00 4.50 3.50 0.00 0.00 -1.26 -5.04 105.19 106.89 2fdd n GLY 68 Ca 0.00 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 2fdd n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2fdd s HIS 69 N -2.65 2.71 -0.41 1.61 4.02 0.02 -5.09 115.29 115.50 2fdd s HIS 69 Ca 0.30 -0.15 -0.04 0.00 1.02 0.00 0.00 55.06 56.19 2fdd s HIS 69 Cb 0.28 -1.59 0.10 0.00 -1.02 0.00 0.00 32.58 30.35 2fdd s HIS 69 CO 0.01 0.24 0.22 0.15 1.02 0.00 0.00 174.74 176.37 2fdd s LYS 70 N -1.00 2.17 0.39 1.40 1.02 -1.26 -0.95 119.74 121.51 2fdd s LYS 70 Ca 0.13 -1.74 0.06 0.00 0.02 0.00 0.00 55.97 54.45 2fdd s LYS 70 Cb -0.11 -3.63 -0.07 0.00 -0.52 0.00 0.00 37.83 33.50 2fdd s LYS 70 CO 0.03 -1.05 0.02 0.14 -0.92 0.00 0.00 175.35 173.57 2fdd s VAL 71 N 1.21 1.79 -0.06 3.17 -7.23 -0.31 -4.96 120.40 114.01 2fdd s VAL 71 Ca 0.06 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.28 2fdd s VAL 71 Cb -0.23 -2.93 -0.00 0.00 0.56 0.00 0.00 36.38 33.77 2fdd s VAL 71 CO -0.03 0.00 -0.21 -0.63 -0.31 0.00 0.00 175.10 173.92 2fdd s ILE 72 N -2.85 1.76 0.25 -0.62 1.01 -1.26 -0.75 121.20 118.73 2fdd s ILE 72 Ca 0.35 -0.88 -0.20 0.00 0.00 0.00 0.00 60.65 59.92 2fdd s ILE 72 Cb 0.09 -1.51 0.07 0.00 0.01 0.00 0.00 42.46 41.13 2fdd s ILE 72 CO 0.17 0.49 0.97 0.61 0.00 0.00 0.00 174.94 177.19 2fdd n GLY 73 N 3.24 0.70 3.74 6.18 0.00 -0.72 -4.87 105.19 113.46 2fdd n GLY 73 Ca -0.19 -1.18 -0.40 0.00 0.00 0.00 0.00 46.02 44.25 2fdd n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fdd s THR 74 N -2.07 4.53 -0.09 2.61 2.01 -1.26 -0.65 115.64 120.74 2fdd s THR 74 Ca 0.21 1.88 0.01 0.00 0.31 0.00 0.00 61.69 64.11 2fdd s THR 74 Cb -0.03 -4.23 0.02 0.00 0.01 0.00 0.00 72.50 68.26 2fdd s THR 74 CO 0.07 0.37 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.57 2fdd s VAL 75 N -0.22 1.18 -0.09 3.82 1.01 -0.11 -4.48 120.40 121.50 2fdd s VAL 75 Ca 0.42 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.82 2fdd s VAL 75 Cb -0.23 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 2fdd s VAL 75 CO 0.27 0.37 0.30 -0.76 0.00 0.00 0.00 175.10 175.28 2fdd s LEU 76 N 0.98 4.37 -0.15 3.92 1.43 0.43 -1.40 118.68 128.27 2fdd s LEU 76 Ca -0.08 0.67 0.02 0.00 -1.03 0.00 0.00 54.13 53.71 2fdd s LEU 76 Cb -0.15 -2.37 0.01 0.00 0.03 0.00 0.00 46.19 43.71 2fdd s LEU 76 CO -0.00 0.27 -0.21 -0.69 0.23 0.00 0.00 176.35 175.95 2fdd s VAL 77 N -0.53 2.13 -1.23 -1.59 1.01 0.24 -0.71 120.40 119.72 2fdd s VAL 77 Ca 0.19 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.22 2fdd s VAL 77 Cb -0.14 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.38 2fdd s VAL 77 CO 0.08 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.33 2fdd n GLY 78 N 4.17 -1.30 3.71 4.51 0.00 -0.99 -0.36 105.19 114.93 2fdd n GLY 78 Ca -0.20 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 2fdd n GLY 78 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2fdd s PRO 79 N -0.65 4.25 -0.28 1.61 0.02 -1.26 -3.96 135.00 134.73 2fdd s PRO 79 Ca 0.00 2.22 -0.18 0.00 0.02 0.00 0.00 61.00 63.05 2fdd s PRO 79 Cb 0.00 -3.33 0.11 0.00 0.02 0.00 0.00 34.50 31.30 2fdd s PRO 79 CO 0.00 -0.58 0.85 -0.08 -0.33 0.00 0.00 177.00 176.86 2fdd s THR 80 N 1.61 0.00 -1.82 0.99 -1.32 -1.26 -5.01 115.64 108.83 2fdd s THR 80 Ca 0.68 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 61.33 2fdd s THR 80 Cb -0.39 -1.00 0.41 0.00 -1.51 0.00 0.00 72.50 70.00 2fdd s THR 80 CO 0.31 0.00 1.41 -0.81 -2.21 0.00 0.00 174.62 173.31 2fdd n PRO 81 N 3.58 0.42 -3.64 7.08 -0.04 -1.26 -4.68 135.00 136.45 2fdd n PRO 81 Ca -0.18 0.04 -0.13 0.00 -0.04 0.00 0.00 63.50 63.20 2fdd n PRO 81 Cb 0.58 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.46 2fdd n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2fdd s ALA 82 N -2.18 -1.69 0.15 0.55 0.00 -1.26 -5.13 121.76 112.20 2fdd s ALA 82 Ca 0.22 1.95 -0.30 0.00 0.00 0.00 0.00 51.96 53.82 2fdd s ALA 82 Cb 0.11 -1.14 -0.08 0.00 0.00 0.00 0.00 23.12 22.01 2fdd s ALA 82 CO 0.21 -0.32 1.30 -0.80 0.00 0.00 0.00 175.76 176.14 2fdd s ASN 83 N 0.47 6.94 -0.07 0.00 0.01 -1.26 -4.84 114.94 116.18 2fdd s ASN 83 Ca -0.01 2.29 0.03 0.00 -0.71 0.00 0.00 52.86 54.47 2fdd s ASN 83 Cb -0.05 -2.60 0.01 0.00 0.41 0.00 0.00 41.25 39.02 2fdd s ASN 83 CO -0.01 -0.53 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.27 2fdd s ILE 84 N 0.50 1.41 -0.34 0.60 1.01 0.36 -1.16 121.20 123.58 2fdd s ILE 84 Ca 0.58 -0.65 -0.12 0.00 0.00 0.00 0.00 60.65 60.46 2fdd s ILE 84 Cb -0.35 -1.26 -0.01 0.00 0.01 0.00 0.00 42.46 40.86 2fdd s ILE 84 CO 0.34 0.42 0.21 -0.63 0.00 0.00 0.00 174.94 175.28 2fdd s ILE 85 N 0.48 4.97 0.59 2.92 -1.09 0.42 -1.31 121.20 128.19 2fdd s ILE 85 Ca -0.14 -0.40 -0.03 0.00 -2.23 0.00 0.00 60.65 57.86 2fdd s ILE 85 Cb -0.16 -3.59 0.12 0.00 -1.58 0.00 0.00 42.46 37.25 2fdd s ILE 85 CO 0.05 -0.04 0.81 0.61 -1.23 0.00 0.00 174.94 175.15 2fdd n GLY 86 N 5.06 0.26 0.25 6.18 0.00 -1.20 -1.06 105.19 114.68 2fdd n GLY 86 Ca -0.13 -1.95 0.09 0.00 0.00 0.00 0.00 46.02 44.03 2fdd n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2fdd h ARG 87 N 0.00 0.00 -0.34 1.61 3.08 -0.86 -1.29 114.38 116.57 2fdd h ARG 87 Ca -0.27 0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.88 2fdd h ARG 87 Cb 0.93 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 2fdd h ARG 87 CO 0.26 0.09 0.25 -2.95 -1.07 0.00 0.00 179.97 176.55 2fdd h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.73 -1.72 115.58 118.09 2fdd h ASN 88 Ca -0.00 0.00 -0.31 0.00 0.07 0.00 0.00 56.30 56.05 2fdd h ASN 88 Cb 0.17 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.37 2fdd h ASN 88 CO 0.01 0.00 -2.19 0.18 0.07 0.00 0.00 177.43 175.50 2fdd n LEU 89 N -4.43 1.42 -0.00 6.14 4.77 -0.88 -4.38 117.00 119.65 2fdd n LEU 89 Ca 0.05 -0.06 0.04 0.00 -0.03 0.00 0.00 56.01 56.01 2fdd n LEU 89 Cb 0.42 -0.14 0.42 0.00 -2.33 0.00 0.00 43.42 41.79 2fdd n LEU 89 CO 0.36 0.63 1.15 0.24 -1.33 0.00 0.00 177.39 178.44 2fdd h MET 90 N 0.00 0.54 -0.56 3.23 2.86 -1.01 -1.76 114.93 118.23 2fdd h MET 90 Ca -0.47 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.05 2fdd h MET 90 Cb 1.90 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 33.41 2fdd h MET 90 CO -0.02 0.37 -0.00 1.79 1.06 0.00 0.00 176.91 180.10 2fdd h THR 91 N 0.56 1.26 0.00 2.22 1.35 -1.54 -1.21 112.91 115.54 2fdd h THR 91 Ca 0.15 -1.10 -0.05 0.00 -0.55 0.00 0.00 66.41 64.85 2fdd h THR 91 Cb -0.05 0.83 -0.01 0.00 -1.73 0.00 0.00 68.15 67.19 2fdd h THR 91 CO -0.03 0.40 -0.25 1.56 -0.25 0.00 0.00 175.52 176.95 2fdd h GLN 92 N 0.89 0.00 -0.16 4.72 4.20 -1.54 -2.58 115.11 120.64 2fdd h GLN 92 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 2fdd h GLN 92 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 2fdd h GLN 92 CO 0.03 0.25 0.00 0.44 -0.67 0.00 0.00 178.83 178.87 2fdd n ILE 93 N -3.50 0.19 -1.51 2.54 -5.35 -0.93 -4.95 119.36 105.86 2fdd n ILE 93 Ca -0.00 -0.47 -0.04 0.00 -0.27 0.00 0.00 62.75 61.97 2fdd n ILE 93 Cb 0.41 0.83 -0.01 0.00 -1.74 0.00 0.00 39.64 39.13 2fdd n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2fdd n GLY 94 N 1.29 0.47 3.71 3.28 0.00 -0.97 -5.01 105.19 107.97 2fdd n GLY 94 Ca 0.17 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 2fdd n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fdd s THR 96 N 0.80 1.04 -0.14 0.00 -4.23 -1.26 -4.63 115.64 107.22 2fdd s THR 96 Ca 0.50 -2.04 -0.07 0.00 -1.18 0.00 0.00 61.69 58.90 2fdd s THR 96 Cb -0.21 -2.17 -0.04 0.00 1.34 0.00 0.00 72.50 71.42 2fdd s THR 96 CO 0.27 -0.46 0.10 -0.76 -0.54 0.00 0.00 174.62 173.22 2fdd s LEU 97 N -3.25 4.08 0.02 4.79 1.43 -1.26 -5.08 118.68 119.40 2fdd s LEU 97 Ca 0.24 0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.64 2fdd s LEU 97 Cb 0.05 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 2fdd s LEU 97 CO 0.06 0.31 -0.04 0.20 0.23 0.00 0.00 176.35 177.10 2fdd s ASN 98 N -0.44 0.47 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.84 2fdd s ASN 98 Ca 0.11 -0.33 0.00 0.00 -1.57 0.00 0.00 52.86 51.07 2fdd s ASN 98 Cb -0.12 0.02 0.00 0.00 -0.02 0.00 0.00 41.25 41.14 2fdd s ASN 98 CO 0.02 -0.13 0.00 2.22 -2.57 0.00 0.00 177.10 176.63