#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 2.10 -0.22 -0.52 0.74 -1.26 -5.11 119.66 115.40 2fdd s GLN 2 Ca 0.00 -0.94 0.01 0.00 0.05 0.00 0.00 55.36 54.48 2fdd s GLN 2 Cb 0.00 -2.13 0.05 0.00 1.10 0.00 0.00 33.01 32.03 2fdd s GLN 2 CO 0.00 0.56 -0.10 0.42 -0.55 0.00 0.00 175.29 175.61 2fdd s ILE 3 N -0.76 1.78 0.50 -2.34 1.01 -1.26 -5.12 121.20 115.02 2fdd s ILE 3 Ca 0.12 -1.20 -0.15 0.00 0.00 0.00 0.00 60.65 59.42 2fdd s ILE 3 Cb -0.10 -1.88 -0.07 0.00 0.01 0.00 0.00 42.46 40.41 2fdd s ILE 3 CO 0.02 0.09 0.95 0.42 0.00 0.00 0.00 174.94 176.42 2fdd s THR 4 N 1.31 4.60 -0.32 2.92 -4.23 -1.26 -5.00 115.64 113.66 2fdd s THR 4 Ca -0.04 1.07 0.11 0.00 -1.18 0.00 0.00 61.69 61.65 2fdd s THR 4 Cb -0.17 -3.74 0.74 0.00 1.34 0.00 0.00 72.50 70.67 2fdd s THR 4 CO -0.07 -0.70 1.74 0.18 -0.54 0.00 0.00 174.62 175.23 2fdd n LEU 5 N -1.63 5.81 0.07 4.79 4.77 -1.26 -4.38 117.00 125.17 2fdd n LEU 5 Ca 0.06 -3.00 0.10 0.00 -0.03 0.00 0.00 56.01 53.14 2fdd n LEU 5 Cb 0.54 -0.72 0.42 0.00 -2.33 0.00 0.00 43.42 41.33 2fdd n LEU 5 CO 0.48 0.72 0.81 -2.67 -1.33 0.00 0.00 177.39 175.40 2fdd n TRP 6 N 0.14 0.47 -4.23 -1.77 4.27 -1.26 -4.70 117.44 110.36 2fdd n TRP 6 Ca 0.35 0.18 -0.13 0.00 -3.89 0.00 0.00 57.50 54.01 2fdd n TRP 6 Cb 1.28 -0.79 -0.10 0.00 -1.36 0.00 0.00 31.31 30.34 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 -3.17 1.04 0.25 -2.67 -2.07 -1.26 -5.12 119.66 106.66 2fdd s GLN 7 Ca 0.06 -1.48 -0.30 0.00 -1.82 0.00 0.00 55.36 51.81 2fdd s GLN 7 Cb 0.10 -0.28 -0.11 0.00 -1.09 0.00 0.00 33.01 31.63 2fdd s GLN 7 CO 0.35 -0.09 1.53 1.03 -1.32 0.00 0.00 175.29 176.80 2fdd s ARG 8 N -3.88 4.20 -1.28 9.60 0.52 -1.26 -4.87 118.95 121.97 2fdd s ARG 8 Ca 0.21 2.42 -0.18 0.00 -0.52 0.00 0.00 55.73 57.66 2fdd s ARG 8 Cb 0.06 -3.09 0.02 0.00 0.52 0.00 0.00 34.95 32.46 2fdd s ARG 8 CO 0.02 -0.54 1.89 -0.35 0.02 0.00 0.00 175.30 176.33 2fdd n PRO 9 N 2.65 2.75 -3.22 3.54 -0.04 -1.26 -4.95 135.00 134.48 2fdd n PRO 9 Ca 0.09 -2.91 -0.39 0.00 -0.04 0.00 0.00 63.50 60.25 2fdd n PRO 9 Cb 0.39 -3.45 -0.06 0.00 -0.04 0.00 0.00 33.50 30.34 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 5.16 4.87 0.15 0.52 -1.09 -1.26 -1.02 121.20 128.54 2fdd s ILE 10 Ca 0.55 1.24 0.04 0.00 -2.23 0.00 0.00 60.65 60.24 2fdd s ILE 10 Cb 0.06 -3.92 -0.05 0.00 -1.58 0.00 0.00 42.46 36.97 2fdd s ILE 10 CO 0.06 0.45 -0.07 0.68 -1.23 0.00 0.00 174.94 174.82 2fdd s VAL 11 N -0.38 1.02 -0.00 2.92 -7.23 -0.00 -4.96 120.40 111.77 2fdd s VAL 11 Ca 0.31 -2.03 -0.15 0.00 -1.81 0.00 0.00 61.98 58.29 2fdd s VAL 11 Cb -0.18 -1.93 -0.06 0.00 0.56 0.00 0.00 36.38 34.77 2fdd s VAL 11 CO 0.17 -0.67 0.43 -0.89 -0.31 0.00 0.00 175.10 173.83 2fdd s THR 12 N -3.43 5.01 0.17 5.32 2.01 -1.26 -1.31 115.64 122.15 2fdd s THR 12 Ca 0.19 0.89 0.06 0.00 0.31 0.00 0.00 61.69 63.13 2fdd s THR 12 Cb 0.04 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 2fdd s THR 12 CO 0.01 0.56 -0.12 0.27 -0.69 0.00 0.00 174.62 174.65 2fdd s ILE 13 N -0.96 1.45 -0.10 1.82 -4.36 0.28 -4.25 121.20 115.08 2fdd s ILE 13 Ca 0.24 -2.11 0.00 0.00 -0.26 0.00 0.00 60.65 58.52 2fdd s ILE 13 Cb -0.17 -1.92 0.02 0.00 1.25 0.00 0.00 42.46 41.64 2fdd s ILE 13 CO 0.14 -0.66 -0.10 -0.75 0.24 0.00 0.00 174.94 173.81 2fdd s LYS 14 N -3.64 1.67 -0.16 0.37 2.20 -0.56 -1.20 119.74 118.43 2fdd s LYS 14 Ca 0.19 -0.34 -0.09 0.00 -0.36 0.00 0.00 55.97 55.37 2fdd s LYS 14 Cb 0.01 -1.60 0.06 0.00 -1.51 0.00 0.00 37.83 34.79 2fdd s LYS 14 CO 0.04 -0.17 0.39 -1.50 -0.36 0.00 0.00 175.35 173.74 2fdd s ILE 15 N 1.37 -0.03 -1.11 5.43 2.07 -0.14 -1.32 121.20 127.47 2fdd s ILE 15 Ca -0.01 0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.33 2fdd s ILE 15 Cb -0.14 -0.58 0.00 0.00 0.13 0.00 0.00 42.46 41.88 2fdd s ILE 15 CO -0.05 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.63 2fdd n GLY 16 N 4.25 -0.16 2.34 1.50 0.00 -1.26 -2.08 105.19 109.77 2fdd n GLY 16 Ca -0.24 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.01 1.22 3.10 -0.02 0.00 -1.26 -5.00 105.19 102.22 2fdd n GLY 17 Ca -0.15 -0.49 -0.17 0.00 0.00 0.00 0.00 46.02 45.21 2fdd n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2fdd s GLN 18 N -2.90 0.71 -0.07 1.61 -1.52 -0.88 -5.14 119.66 111.46 2fdd s GLN 18 Ca 0.00 -0.76 -0.15 0.00 -1.95 0.00 0.00 55.36 52.51 2fdd s GLN 18 Cb 0.00 -0.63 -0.05 0.00 -0.22 0.00 0.00 33.01 32.11 2fdd s GLN 18 CO 0.00 0.14 0.37 -1.14 -0.25 0.00 0.00 175.29 174.41 2fdd s GLN 19 N -1.37 4.05 0.24 2.91 2.00 -1.26 -0.97 119.66 125.26 2fdd s GLN 19 Ca -0.04 0.29 -0.01 0.00 -2.00 0.00 0.00 55.36 53.60 2fdd s GLN 19 Cb -0.09 -3.31 -0.03 0.00 0.80 0.00 0.00 33.01 30.38 2fdd s GLN 19 CO 0.01 0.48 0.23 1.03 -0.50 0.00 0.00 175.29 176.54 2fdd s ARG 20 N -0.34 1.40 0.06 1.67 1.81 -0.34 -4.99 118.95 118.23 2fdd s ARG 20 Ca 0.22 -1.65 0.08 0.00 -1.72 0.00 0.00 55.73 52.66 2fdd s ARG 20 Cb -0.15 0.32 -0.03 0.00 -0.45 0.00 0.00 34.95 34.64 2fdd s ARG 20 CO 0.09 -0.50 -0.22 -1.21 -0.68 0.00 0.00 175.30 172.78 2fdd s GLU 21 N -3.93 1.87 0.11 3.54 2.02 -1.26 -0.55 118.70 120.50 2fdd s GLU 21 Ca 0.36 -1.09 -0.13 0.00 0.02 0.00 0.00 54.97 54.14 2fdd s GLU 21 Cb 0.05 -2.08 0.02 0.00 0.10 0.00 0.00 34.13 32.22 2fdd s GLU 21 CO 0.15 0.51 0.31 0.00 0.02 0.00 0.00 175.26 176.26 2fdd s ALA 22 N -0.92 -0.64 -0.18 5.21 0.00 -0.43 -4.65 121.76 120.15 2fdd s ALA 22 Ca 0.14 -0.27 -0.16 0.00 0.00 0.00 0.00 51.96 51.66 2fdd s ALA 22 Cb -0.10 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 2fdd s ALA 22 CO 0.05 -0.58 0.41 -1.17 0.00 0.00 0.00 175.76 174.46 2fdd s LEU 23 N -2.79 4.19 -0.26 0.00 2.96 -0.16 -0.82 118.68 121.80 2fdd s LEU 23 Ca 0.03 0.58 -0.29 0.00 -0.22 0.00 0.00 54.13 54.23 2fdd s LEU 23 Cb 0.03 -2.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.17 2fdd s LEU 23 CO -0.11 -0.05 1.46 -0.76 -1.32 0.00 0.00 176.35 175.57 2fdd s LEU 24 N 1.10 3.89 -0.36 -0.68 1.43 -0.19 -0.41 118.68 123.47 2fdd s LEU 24 Ca 0.20 1.43 0.03 0.00 -1.03 0.00 0.00 54.13 54.76 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 0.09 -0.62 0.23 0.00 0.00 176.35 174.96 2fdd s ASP 25 N 3.52 4.49 0.38 2.29 -1.08 -0.21 -4.77 116.67 121.29 2fdd s ASP 25 Ca 0.64 -2.15 0.28 0.00 -0.52 0.00 0.00 52.55 50.80 2fdd s ASP 25 Cb -0.21 -1.42 1.20 0.00 -1.46 0.00 0.00 42.92 41.04 2fdd s ASP 25 CO 0.26 -0.37 1.83 0.71 0.52 0.00 0.00 175.17 178.13 2fdd h THR 26 N 6.40 0.00 -0.08 1.71 1.35 -1.93 -2.12 112.91 118.23 2fdd h THR 26 Ca -0.07 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 2fdd h THR 26 Cb 1.00 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 2fdd h THR 26 CO 0.52 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.40 2fdd n GLY 27 N -0.15 0.01 3.48 5.82 0.00 -1.26 -4.82 105.19 108.27 2fdd n GLY 27 Ca 0.01 -0.40 -0.34 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 -1.90 3.03 0.09 4.61 0.00 -0.80 -4.99 121.76 121.81 2fdd s ALA 28 Ca 0.35 -0.90 -0.14 0.00 0.00 0.00 0.00 51.96 51.27 2fdd s ALA 28 Cb 0.19 -1.68 -0.13 0.00 0.00 0.00 0.00 23.12 21.50 2fdd s ALA 28 CO 0.30 0.03 1.33 -0.44 0.00 0.00 0.00 175.76 176.98 2fdd h ASP 29 N 7.10 0.82 -1.61 0.00 3.45 -1.87 0.43 116.42 124.74 2fdd h ASP 29 Ca -0.34 -0.57 -0.59 0.00 0.43 0.00 0.00 57.03 55.96 2fdd h ASP 29 Cb 1.18 -0.24 -0.10 0.00 -0.56 0.00 0.00 39.33 39.61 2fdd h ASP 29 CO 0.62 1.25 -0.54 -1.81 -1.57 0.00 0.00 179.24 177.20 2fdd s ASP 30 N -6.82 4.21 -0.23 6.45 1.01 -1.26 -2.42 116.67 117.60 2fdd s ASP 30 Ca -0.12 -1.20 -0.10 0.00 0.71 0.00 0.00 52.55 51.85 2fdd s ASP 30 Cb 0.08 -0.44 -0.05 0.00 1.01 0.00 0.00 42.92 43.52 2fdd s ASP 30 CO 0.86 -0.51 0.14 -0.89 0.21 0.00 0.00 175.17 174.98 2fdd s THR 31 N -2.64 5.22 -0.11 -1.27 2.01 -1.26 -3.19 115.64 114.39 2fdd s THR 31 Ca 0.39 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.53 2fdd s THR 31 Cb 0.06 -3.42 0.02 0.00 0.01 0.00 0.00 72.50 69.17 2fdd s THR 31 CO 0.21 0.36 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.68 2fdd s VAL 32 N 0.97 1.38 -0.01 3.82 1.01 -0.38 -0.59 120.40 126.60 2fdd s VAL 32 Ca 0.07 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 61.56 2fdd s VAL 32 Cb -0.13 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 2fdd s VAL 32 CO 0.04 0.42 -0.22 -0.76 0.00 0.00 0.00 175.10 174.58 2fdd s LEU 33 N 1.17 2.05 -0.14 3.92 1.43 0.22 -0.40 118.68 126.94 2fdd s LEU 33 Ca -0.03 -0.41 0.09 0.00 -1.03 0.00 0.00 54.13 52.75 2fdd s LEU 33 Cb -0.14 -1.13 -0.15 0.00 0.03 0.00 0.00 46.19 44.80 2fdd s LEU 33 CO -0.04 0.26 -0.00 1.21 0.23 0.00 0.00 176.35 178.01 2fdd n GLU 34 N 2.47 1.48 -1.54 1.70 0.00 -1.25 -2.28 120.64 121.21 2fdd n GLU 34 Ca -0.16 0.02 -0.34 0.00 0.00 0.00 0.00 57.16 56.68 2fdd n GLU 34 Cb 0.52 -1.34 0.04 0.00 0.00 0.00 0.00 31.44 30.66 2fdd n GLU 34 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 2fdd n ASP 35 N -2.62 7.35 -3.84 4.31 5.75 -1.26 -4.79 116.55 121.45 2fdd n ASP 35 Ca -0.24 -3.65 -0.10 0.00 -0.01 0.00 0.00 54.79 50.79 2fdd n ASP 35 Cb 0.90 -1.06 -0.08 0.00 -1.03 0.00 0.00 41.12 39.86 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 -4.31 0.12 -0.14 2.12 -4.36 -1.26 -5.09 121.20 108.28 2fdd s ILE 36 Ca 0.55 -1.01 0.02 0.00 -0.26 0.00 0.00 60.65 59.96 2fdd s ILE 36 Cb 0.44 -1.12 0.01 0.00 1.25 0.00 0.00 42.46 43.03 2fdd s ILE 36 CO -0.20 -0.56 -0.21 0.20 0.24 0.00 0.00 174.94 174.41 2fdd s ASN 37 N -2.47 3.22 -0.03 4.36 0.01 -1.26 -4.98 114.94 113.79 2fdd s ASN 37 Ca -0.00 -0.57 0.02 0.00 -0.71 0.00 0.00 52.86 51.59 2fdd s ASN 37 Cb 0.02 -1.47 -0.03 0.00 0.41 0.00 0.00 41.25 40.18 2fdd s ASN 37 CO -0.07 0.09 -0.05 -0.76 -1.51 0.00 0.00 177.10 174.79 2fdd s LEU 38 N 0.79 3.26 0.52 0.60 1.43 -1.26 -4.99 118.68 119.04 2fdd s LEU 38 Ca -0.07 -0.05 -0.15 0.00 -1.03 0.00 0.00 54.13 52.83 2fdd s LEU 38 Cb -0.16 -1.80 -0.07 0.00 0.03 0.00 0.00 46.19 44.20 2fdd s LEU 38 CO -0.01 0.32 0.97 -2.16 0.23 0.00 0.00 176.35 175.71 2fdd s PRO 39 N -1.15 3.87 0.41 1.29 0.04 -1.26 -4.98 135.00 133.21 2fdd s PRO 39 Ca 0.15 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.06 2fdd s PRO 39 Cb -0.11 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2fdd s PRO 39 CO 0.05 -0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.20 2fdd n GLY 40 N -1.76 -2.34 3.80 0.56 0.00 -1.26 -4.98 105.19 99.21 2fdd n GLY 40 Ca 0.06 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.35 2.60 0.22 1.61 1.70 -1.26 -5.08 118.95 118.39 2fdd s ARG 41 Ca 0.00 1.04 -0.14 0.00 -0.47 0.00 0.00 55.73 56.16 2fdd s ARG 41 Cb 0.00 -1.95 0.01 0.00 -0.57 0.00 0.00 34.95 32.44 2fdd s ARG 41 CO 0.00 -1.36 0.48 1.67 -1.08 0.00 0.00 175.30 175.01 2fdd s TRP 42 N -2.98 0.18 -0.08 5.89 1.48 -1.26 -4.74 118.94 117.43 2fdd s TRP 42 Ca 0.59 -0.55 0.05 0.00 -1.06 0.00 0.00 56.10 55.14 2fdd s TRP 42 Cb -0.15 0.25 -0.00 0.00 -1.16 0.00 0.00 33.47 32.41 2fdd s TRP 42 CO 0.55 -0.95 -0.23 0.15 -4.06 0.00 0.00 176.95 172.41 2fdd s LYS 43 N -3.96 2.68 0.43 3.25 1.02 -0.57 -4.90 119.74 117.69 2fdd s LYS 43 Ca 0.17 -0.84 -0.25 0.00 0.02 0.00 0.00 55.97 55.06 2fdd s LYS 43 Cb -0.01 -2.14 -0.08 0.00 -0.52 0.00 0.00 37.83 35.08 2fdd s LYS 43 CO 0.04 0.26 1.29 -1.25 -0.92 0.00 0.00 175.35 174.77 2fdd s PRO 44 N 0.14 3.85 0.02 -1.68 0.04 -1.26 -0.39 135.00 135.72 2fdd s PRO 44 Ca -0.12 2.12 -0.09 0.00 0.04 0.00 0.00 61.00 62.95 2fdd s PRO 44 Cb -0.16 -2.66 0.01 0.00 0.04 0.00 0.00 34.50 31.73 2fdd s PRO 44 CO 0.06 -0.58 0.19 0.21 0.04 0.00 0.00 177.00 176.93 2fdd s LYS 45 N -2.37 0.62 -0.11 4.56 2.20 -0.42 -4.83 119.74 119.41 2fdd s LYS 45 Ca 0.59 -0.50 0.03 0.00 -0.36 0.00 0.00 55.97 55.73 2fdd s LYS 45 Cb -0.37 0.26 0.01 0.00 -1.51 0.00 0.00 37.83 36.22 2fdd s LYS 45 CO 0.47 -0.17 -0.20 0.42 -0.36 0.00 0.00 175.35 175.51 2fdd s ILE 46 N -2.04 1.81 0.13 5.43 1.01 -1.26 -0.54 121.20 125.75 2fdd s ILE 46 Ca -0.09 -0.86 0.10 0.00 0.00 0.00 0.00 60.65 59.80 2fdd s ILE 46 Cb -0.04 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 2fdd s ILE 46 CO -0.01 0.50 -0.24 0.27 0.00 0.00 0.00 174.94 175.47 2fdd s ILE 47 N 0.63 2.01 0.08 2.92 -4.36 -0.86 -4.96 121.20 116.67 2fdd s ILE 47 Ca -0.13 -1.71 0.09 0.00 -0.26 0.00 0.00 60.65 58.64 2fdd s ILE 47 Cb -0.16 -1.82 -0.03 0.00 1.25 0.00 0.00 42.46 41.69 2fdd s ILE 47 CO 0.03 -0.02 -0.23 -0.83 0.24 0.00 0.00 174.94 174.13 2fdd s GLY 48 N -2.11 1.33 0.00 6.27 0.00 -1.26 -1.24 107.32 110.30 2fdd s GLY 48 Ca 0.12 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.58 2fdd s GLY 48 CO 0.06 -1.22 0.00 0.61 0.00 0.00 0.00 173.10 172.55 2fdd n GLY 49 N 1.36 3.72 3.72 0.20 0.00 -0.55 -4.97 105.19 108.66 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 -2.18 2.78 0.00 1.61 1.01 -1.26 -1.99 120.40 120.37 2fdd s VAL 50 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.53 2fdd s VAL 50 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.03 2fdd s VAL 50 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.75 2fdd n GLY 51 N 3.71 2.58 0.00 4.51 0.00 -1.26 -4.98 105.19 109.76 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 -2.00 0.51 3.96 -0.02 0.00 -0.84 -5.10 105.19 101.70 2fdd n GLY 52 Ca 0.00 -2.17 -0.19 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.73 2.99 -0.05 1.61 -0.12 -1.26 -1.48 117.98 118.94 2fdd s PHE 53 Ca 0.00 -0.29 -0.17 0.00 -0.05 0.00 0.00 56.93 56.42 2fdd s PHE 53 Cb 0.00 -2.04 0.03 0.00 -0.63 0.00 0.00 43.02 40.38 2fdd s PHE 53 CO 0.00 -0.06 0.38 0.54 -0.05 0.00 0.00 175.22 176.04 2fdd s VAL 54 N -2.25 0.04 -0.02 -2.49 0.11 -0.38 -4.99 120.40 110.42 2fdd s VAL 54 Ca 0.46 -0.30 -0.21 0.00 -2.93 0.00 0.00 61.98 59.00 2fdd s VAL 54 Cb -0.08 -0.66 -0.05 0.00 -1.53 0.00 0.00 36.38 34.06 2fdd s VAL 54 CO 0.30 -0.17 0.62 -0.54 -3.33 0.00 0.00 175.10 171.99 2fdd s LYS 55 N -0.96 4.36 0.24 1.54 1.02 -1.26 -2.04 119.74 122.64 2fdd s LYS 55 Ca -0.10 0.78 0.01 0.00 0.02 0.00 0.00 55.97 56.67 2fdd s LYS 55 Cb -0.04 -3.37 -0.05 0.00 -0.52 0.00 0.00 37.83 33.86 2fdd s LYS 55 CO 0.04 0.29 0.12 0.14 -0.92 0.00 0.00 175.35 175.02 2fdd s VAL 56 N 0.04 0.32 -0.17 3.17 -7.23 0.30 -4.54 120.40 112.30 2fdd s VAL 56 Ca 0.33 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.41 2fdd s VAL 56 Cb -0.18 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 2fdd s VAL 56 CO 0.18 0.00 0.12 -0.13 -0.31 0.00 0.00 175.10 174.96 2fdd s ARG 57 N -4.07 3.86 -0.35 4.82 0.52 0.18 -1.29 118.95 122.61 2fdd s ARG 57 Ca 0.38 -0.21 -0.12 0.00 -0.52 0.00 0.00 55.73 55.27 2fdd s ARG 57 Cb 0.07 -3.30 0.00 0.00 0.52 0.00 0.00 34.95 32.25 2fdd s ARG 57 CO 0.13 0.49 0.22 -1.14 0.02 0.00 0.00 175.30 175.02 2fdd s GLN 58 N -0.19 3.20 -0.21 3.54 0.74 0.48 -0.77 119.66 126.46 2fdd s GLN 58 Ca 0.10 -0.83 -0.07 0.00 0.05 0.00 0.00 55.36 54.61 2fdd s GLN 58 Cb -0.11 -3.75 -0.03 0.00 1.10 0.00 0.00 33.01 30.21 2fdd s GLN 58 CO 0.01 -0.55 0.05 0.71 -0.55 0.00 0.00 175.29 174.96 2fdd s TYR 59 N 1.64 3.14 0.25 1.67 1.51 -0.44 -1.51 117.35 123.62 2fdd s TYR 59 Ca 0.04 -0.19 0.05 0.00 -1.01 0.00 0.00 57.07 55.97 2fdd s TYR 59 Cb -0.18 -2.14 -0.03 0.00 -0.11 0.00 0.00 41.96 39.50 2fdd s TYR 59 CO 0.08 -0.10 0.35 -0.51 -1.11 0.00 0.00 175.55 174.27 2fdd s ASP 60 N 0.94 6.20 -1.34 2.29 1.01 -1.26 -0.84 116.67 123.66 2fdd s ASP 60 Ca 0.03 0.01 -0.05 0.00 0.71 0.00 0.00 52.55 53.25 2fdd s ASP 60 Cb -0.14 -1.75 -0.00 0.00 1.01 0.00 0.00 42.92 42.04 2fdd s ASP 60 CO 0.03 -0.10 0.51 0.00 0.21 0.00 0.00 175.17 175.82 2fdd n GLN 61 N -1.41 -2.85 -3.45 8.23 6.02 -1.22 -4.93 117.38 117.78 2fdd n GLN 61 Ca -0.08 0.41 -0.38 0.00 -0.01 0.00 0.00 57.00 56.95 2fdd n GLN 61 Cb 0.57 -4.41 -0.08 0.00 1.02 0.00 0.00 30.24 27.34 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 -3.83 5.24 0.09 5.09 1.01 -0.03 -4.80 120.40 123.16 2fdd s VAL 62 Ca 0.11 0.61 -0.30 0.00 0.00 0.00 0.00 61.98 62.40 2fdd s VAL 62 Cb -0.04 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.60 2fdd s VAL 62 CO 0.88 0.28 1.09 -2.84 0.00 0.00 0.00 175.10 174.51 2fdd s PRO 63 N 1.16 4.55 -0.05 2.72 0.02 -1.26 -1.81 135.00 140.32 2fdd s PRO 63 Ca 0.17 1.63 -0.05 0.00 0.02 0.00 0.00 61.00 62.77 2fdd s PRO 63 Cb -0.14 -3.35 0.01 0.00 0.02 0.00 0.00 34.50 31.04 2fdd s PRO 63 CO 0.07 -0.04 0.15 -1.50 -0.33 0.00 0.00 177.00 175.35 2fdd s ILE 64 N 0.49 0.01 -0.17 2.83 2.07 0.44 -4.50 121.20 122.37 2fdd s ILE 64 Ca 0.53 -0.07 -0.02 0.00 -1.41 0.00 0.00 60.65 59.68 2fdd s ILE 64 Cb -0.27 -0.24 -0.01 0.00 0.13 0.00 0.00 42.46 42.07 2fdd s ILE 64 CO 0.31 -0.04 -0.08 -0.70 -1.91 0.00 0.00 174.94 172.52 2fdd s GLU 65 N -0.06 3.43 -0.04 3.50 2.12 -0.43 -1.13 118.70 126.09 2fdd s GLU 65 Ca -0.01 -0.63 -0.03 0.00 0.36 0.00 0.00 54.97 54.66 2fdd s GLU 65 Cb -0.02 -2.83 0.02 0.00 0.26 0.00 0.00 34.13 31.56 2fdd s GLU 65 CO 0.00 0.05 0.10 0.42 -0.54 0.00 0.00 175.26 175.29 2fdd s ILE 66 N 0.81 -0.02 -1.63 -3.70 1.01 0.07 -1.49 121.20 116.26 2fdd s ILE 66 Ca -0.03 0.07 -0.17 0.00 0.00 0.00 0.00 60.65 60.52 2fdd s ILE 66 Cb -0.15 -0.16 0.14 0.00 0.01 0.00 0.00 42.46 42.30 2fdd s ILE 66 CO 0.01 0.03 0.82 0.00 0.00 0.00 0.00 174.94 175.80 2fdd n GLY 68 N -1.45 0.50 3.51 0.00 0.00 -1.26 -5.01 105.19 101.49 2fdd n GLY 68 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.21 2.98 -0.48 1.61 4.02 0.10 -5.08 115.29 116.23 2fdd s HIS 69 Ca 0.00 -0.22 -0.12 0.00 1.02 0.00 0.00 55.06 55.73 2fdd s HIS 69 Cb 0.00 -1.86 0.11 0.00 -1.02 0.00 0.00 32.58 29.81 2fdd s HIS 69 CO 0.00 0.07 0.38 0.15 1.02 0.00 0.00 174.74 176.36 2fdd s LYS 70 N -0.05 2.72 0.39 1.40 1.02 -1.26 -0.75 119.74 123.22 2fdd s LYS 70 Ca 0.01 -1.63 0.05 0.00 0.02 0.00 0.00 55.97 54.42 2fdd s LYS 70 Cb -0.13 -4.03 -0.06 0.00 -0.52 0.00 0.00 37.83 33.08 2fdd s LYS 70 CO 0.03 -1.16 0.03 0.14 -0.92 0.00 0.00 175.35 173.47 2fdd s VAL 71 N 1.48 1.56 -0.07 3.17 -7.23 -0.28 -4.96 120.40 114.07 2fdd s VAL 71 Ca 0.04 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.26 2fdd s VAL 71 Cb -0.26 -2.80 -0.00 0.00 0.56 0.00 0.00 36.38 33.87 2fdd s VAL 71 CO 0.02 0.00 -0.21 -0.63 -0.31 0.00 0.00 175.10 173.97 2fdd s ILE 72 N -2.95 1.76 0.27 -0.62 1.01 -1.26 -0.42 121.20 119.00 2fdd s ILE 72 Ca 0.32 -0.88 -0.19 0.00 0.00 0.00 0.00 60.65 59.90 2fdd s ILE 72 Cb 0.08 -1.52 0.07 0.00 0.01 0.00 0.00 42.46 41.10 2fdd s ILE 72 CO 0.15 0.50 0.94 -0.83 0.00 0.00 0.00 174.94 175.70 2fdd s GLY 73 N 0.18 0.26 0.10 6.18 0.00 -0.75 -4.87 107.32 108.43 2fdd s GLY 73 Ca -0.11 -0.56 -0.28 0.00 0.00 0.00 0.00 44.72 43.78 2fdd s GLY 73 CO 0.05 1.49 0.88 -1.59 0.00 0.00 0.00 173.10 173.92 2fdd s THR 74 N -2.10 4.53 -0.08 0.90 2.01 -1.26 -0.85 115.64 118.79 2fdd s THR 74 Ca 0.20 1.89 0.02 0.00 0.31 0.00 0.00 61.69 64.11 2fdd s THR 74 Cb -0.04 -4.24 0.02 0.00 0.01 0.00 0.00 72.50 68.25 2fdd s THR 74 CO 0.08 0.37 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.57 2fdd s VAL 75 N -0.23 1.15 -0.10 3.82 1.01 -0.02 -4.48 120.40 121.56 2fdd s VAL 75 Ca 0.43 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 2fdd s VAL 75 Cb -0.23 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 2fdd s VAL 75 CO 0.27 0.37 0.29 -0.76 0.00 0.00 0.00 175.10 175.27 2fdd s LEU 76 N 0.95 4.35 -0.17 3.92 1.43 0.24 -1.33 118.68 128.06 2fdd s LEU 76 Ca -0.09 0.64 0.01 0.00 -1.03 0.00 0.00 54.13 53.65 2fdd s LEU 76 Cb -0.15 -2.36 0.01 0.00 0.03 0.00 0.00 46.19 43.72 2fdd s LEU 76 CO 0.00 0.24 -0.18 -0.69 0.23 0.00 0.00 176.35 175.95 2fdd s VAL 77 N -0.36 2.26 -0.41 -1.59 1.01 0.05 -0.61 120.40 120.75 2fdd s VAL 77 Ca 0.18 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.28 2fdd s VAL 77 Cb -0.14 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.29 2fdd s VAL 77 CO 0.07 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.30 2fdd n GLY 78 N 4.49 -1.25 3.71 4.51 0.00 -0.97 -0.65 105.19 115.03 2fdd n GLY 78 Ca -0.20 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.56 4.25 -0.28 1.61 0.02 -1.26 -3.96 135.00 134.82 2fdd s PRO 79 Ca 0.00 2.24 -0.18 0.00 0.02 0.00 0.00 61.00 63.08 2fdd s PRO 79 Cb 0.00 -3.27 0.11 0.00 0.02 0.00 0.00 34.50 31.36 2fdd s PRO 79 CO 0.00 -0.57 0.86 -0.08 -0.33 0.00 0.00 177.00 176.88 2fdd s THR 80 N 1.41 0.00 -1.32 0.99 -1.32 -1.26 -5.02 115.64 109.12 2fdd s THR 80 Ca 0.68 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 61.27 2fdd s THR 80 Cb -0.40 -1.00 0.17 0.00 -1.51 0.00 0.00 72.50 69.75 2fdd s THR 80 CO 0.31 0.00 1.27 -0.81 -2.21 0.00 0.00 174.62 173.18 2fdd n PRO 81 N 3.71 0.12 -3.68 7.08 -0.04 -1.26 -4.68 135.00 136.26 2fdd n PRO 81 Ca -0.18 0.22 -0.14 0.00 -0.04 0.00 0.00 63.50 63.35 2fdd n PRO 81 Cb 0.58 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 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 -2.68 -1.36 0.13 0.55 0.00 -1.26 -5.13 121.76 112.01 2fdd s ALA 82 Ca 0.09 1.44 -0.30 0.00 0.00 0.00 0.00 51.96 53.19 2fdd s ALA 82 Cb 0.07 -0.74 -0.07 0.00 0.00 0.00 0.00 23.12 22.38 2fdd s ALA 82 CO 0.17 -0.27 1.20 -0.80 0.00 0.00 0.00 175.76 176.06 2fdd s ASN 83 N 0.02 7.09 -0.06 0.00 0.01 -1.26 -4.83 114.94 115.90 2fdd s ASN 83 Ca -0.02 2.14 0.04 0.00 -0.71 0.00 0.00 52.86 54.30 2fdd s ASN 83 Cb -0.04 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.03 2fdd s ASN 83 CO 0.02 -0.41 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.40 2fdd s ILE 84 N 0.43 1.50 -0.34 0.60 -1.09 0.47 -0.99 121.20 121.77 2fdd s ILE 84 Ca 0.55 -0.72 -0.11 0.00 -2.23 0.00 0.00 60.65 58.14 2fdd s ILE 84 Cb -0.31 -1.31 -0.00 0.00 -1.58 0.00 0.00 42.46 39.26 2fdd s ILE 84 CO 0.33 0.43 0.21 -0.63 -1.23 0.00 0.00 174.94 174.05 2fdd s ILE 85 N 0.31 4.87 0.77 2.92 -1.09 0.45 -1.24 121.20 128.19 2fdd s ILE 85 Ca -0.11 -0.47 -0.04 0.00 -2.23 0.00 0.00 60.65 57.80 2fdd s ILE 85 Cb -0.15 -3.56 0.16 0.00 -1.58 0.00 0.00 42.46 37.33 2fdd s ILE 85 CO 0.04 -0.06 1.05 0.61 -1.23 0.00 0.00 174.94 175.36 2fdd n GLY 86 N 5.04 0.20 0.26 6.18 0.00 -1.19 -1.04 105.19 114.64 2fdd n GLY 86 Ca -0.13 -1.96 0.09 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.36 1.61 3.08 -0.90 -1.26 114.38 116.54 2fdd h ARG 87 Ca -0.34 0.00 0.11 0.00 0.07 0.00 0.00 59.98 59.81 2fdd h ARG 87 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 2fdd h ARG 87 CO 0.34 0.03 0.28 -2.95 -1.07 0.00 0.00 179.97 176.60 2fdd h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.73 -1.65 115.58 118.16 2fdd h ASN 88 Ca -0.00 0.00 -0.31 0.00 0.07 0.00 0.00 56.30 56.06 2fdd h ASN 88 Cb 0.07 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.26 2fdd h ASN 88 CO 0.00 0.00 -2.18 0.18 0.07 0.00 0.00 177.43 175.51 2fdd n LEU 89 N -4.32 1.81 -0.06 6.14 4.77 -0.77 -4.38 117.00 120.19 2fdd n LEU 89 Ca 0.06 -0.07 0.04 0.00 -0.03 0.00 0.00 56.01 56.01 2fdd n LEU 89 Cb 0.46 -0.29 0.40 0.00 -2.33 0.00 0.00 43.42 41.65 2fdd n LEU 89 CO 0.35 0.68 1.18 0.24 -1.33 0.00 0.00 177.39 178.51 2fdd h MET 90 N 0.00 0.61 -0.61 3.23 2.86 -1.00 -1.71 114.93 118.32 2fdd h MET 90 Ca -0.46 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.10 2fdd h MET 90 Cb 1.84 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 33.34 2fdd h MET 90 CO -0.03 0.41 0.23 1.79 1.06 0.00 0.00 176.91 180.36 2fdd h THR 91 N 0.63 1.23 0.00 2.22 1.35 -1.54 -1.18 112.91 115.63 2fdd h THR 91 Ca 0.20 -0.75 -0.03 0.00 -0.55 0.00 0.00 66.41 65.27 2fdd h THR 91 Cb 0.01 0.59 -0.00 0.00 -1.73 0.00 0.00 68.15 67.01 2fdd h THR 91 CO -0.05 0.29 -0.16 1.56 -0.25 0.00 0.00 175.52 176.91 2fdd h GLN 92 N 0.85 0.00 -0.24 4.72 4.20 -1.53 -2.24 115.11 120.87 2fdd h GLN 92 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2fdd h GLN 92 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2fdd h GLN 92 CO -0.01 0.16 0.00 0.44 -0.67 0.00 0.00 178.83 178.75 2fdd n ILE 93 N -3.48 0.30 -1.54 2.54 -5.35 -0.94 -4.95 119.36 105.95 2fdd n ILE 93 Ca -0.01 -0.54 -0.05 0.00 -0.27 0.00 0.00 62.75 61.88 2fdd n ILE 93 Cb 0.33 0.80 -0.01 0.00 -1.74 0.00 0.00 39.64 39.01 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 1.33 0.50 3.72 3.28 0.00 -0.84 -5.02 105.19 108.16 2fdd n GLY 94 Ca 0.17 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 0.49 0.99 -0.15 0.00 -4.23 -1.26 -4.63 115.64 106.84 2fdd s THR 96 Ca 0.49 -2.03 -0.07 0.00 -1.18 0.00 0.00 61.69 58.90 2fdd s THR 96 Cb -0.22 -2.03 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 2fdd s THR 96 CO 0.29 -0.58 0.10 -0.76 -0.54 0.00 0.00 174.62 173.13 2fdd s LEU 97 N -3.20 4.11 0.01 4.79 1.43 -1.26 -5.09 118.68 119.48 2fdd s LEU 97 Ca 0.21 0.27 0.02 0.00 -1.03 0.00 0.00 54.13 53.60 2fdd s LEU 97 Cb 0.04 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 2fdd s LEU 97 CO 0.03 0.29 -0.06 0.20 0.23 0.00 0.00 176.35 177.03 2fdd s ASN 98 N -0.29 0.73 0.00 2.29 -0.87 -1.26 -5.29 114.94 110.26 2fdd s ASN 98 Ca 0.10 -0.28 0.00 0.00 -1.57 0.00 0.00 52.86 51.11 2fdd s ASN 98 Cb -0.12 -0.03 0.00 0.00 -0.02 0.00 0.00 41.25 41.08 2fdd s ASN 98 CO 0.01 -0.04 0.00 2.22 -2.57 0.00 0.00 177.10 176.72