#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mtr s GLN 2 N 0.00 3.02 -0.23 -0.52 0.74 -1.26 -5.11 119.66 116.31 1mtr s GLN 2 Ca 0.00 -0.84 -0.06 0.00 0.05 0.00 0.00 55.36 54.51 1mtr s GLN 2 Cb 0.00 -2.52 -0.03 0.00 1.10 0.00 0.00 33.01 31.57 1mtr s GLN 2 CO 0.00 -0.11 0.04 0.42 -0.55 0.00 0.00 175.29 175.08 1mtr s ILE 3 N 1.06 4.14 0.69 -2.34 1.01 -1.26 -5.10 121.20 119.40 1mtr s ILE 3 Ca -0.01 -0.24 -0.10 0.00 0.00 0.00 0.00 60.65 60.30 1mtr s ILE 3 Cb -0.14 -2.91 0.02 0.00 0.01 0.00 0.00 42.46 39.44 1mtr s ILE 3 CO -0.07 0.38 1.06 0.42 0.00 0.00 0.00 174.94 176.73 1mtr s THR 4 N 1.34 3.44 -0.23 2.92 -4.23 -1.26 -5.01 115.64 112.62 1mtr s THR 4 Ca 0.05 0.36 0.14 0.00 -1.18 0.00 0.00 61.69 61.05 1mtr s THR 4 Cb -0.15 -3.45 0.56 0.00 1.34 0.00 0.00 72.50 70.81 1mtr s THR 4 CO 0.02 -0.56 1.49 0.18 -0.54 0.00 0.00 174.62 175.21 1mtr n LEU 5 N -2.94 4.29 0.08 4.79 7.99 -1.26 -4.50 117.00 125.46 1mtr n LEU 5 Ca 0.06 -3.22 0.03 0.00 -0.01 0.00 0.00 56.01 52.87 1mtr n LEU 5 Cb 0.57 -0.60 0.40 0.00 -0.11 0.00 0.00 43.42 43.69 1mtr n LEU 5 CO 0.57 0.83 0.99 -0.50 -1.51 0.00 0.00 177.39 177.76 1mtr h TRP 6 N 1.76 0.36 -2.35 -1.77 4.06 -2.06 -3.43 115.95 112.52 1mtr h TRP 6 Ca 0.09 -0.02 -0.54 0.00 2.06 0.00 0.00 58.89 60.48 1mtr h TRP 6 Cb 1.64 -0.11 -0.14 0.00 -1.00 0.00 0.00 29.16 29.55 1mtr h TRP 6 CO 0.74 0.36 -0.64 0.15 -3.56 0.00 0.00 178.44 175.49 1mtr s LYS 7 N -5.01 1.72 0.24 0.49 1.02 -1.26 -5.11 119.74 111.84 1mtr s LYS 7 Ca -0.07 -1.93 -0.31 0.00 0.02 0.00 0.00 55.97 53.69 1mtr s LYS 7 Cb 0.16 -1.28 -0.11 0.00 -0.52 0.00 0.00 37.83 36.08 1mtr s LYS 7 CO 0.73 -0.03 1.59 1.03 -0.92 0.00 0.00 175.35 177.75 1mtr s ARG 8 N -3.75 4.16 -1.17 1.68 0.52 -1.26 -4.86 118.95 114.28 1mtr s ARG 8 Ca 0.33 2.50 -0.21 0.00 -0.52 0.00 0.00 55.73 57.83 1mtr s ARG 8 Cb 0.07 -3.07 -0.00 0.00 0.52 0.00 0.00 34.95 32.46 1mtr s ARG 8 CO 0.15 -0.62 1.79 -1.25 0.02 0.00 0.00 175.30 175.40 1mtr s PRO 9 N 0.18 3.21 -0.20 3.54 0.04 -1.26 -4.93 135.00 135.58 1mtr s PRO 9 Ca 0.66 -1.35 -0.11 0.00 0.04 0.00 0.00 61.00 60.24 1mtr s PRO 9 Cb -0.46 -5.35 -0.05 0.00 0.04 0.00 0.00 34.50 28.68 1mtr s PRO 9 CO 0.41 -3.01 0.17 -0.51 0.04 0.00 0.00 177.00 174.10 1mtr s LEU 10 N 7.51 4.19 0.23 -3.56 1.43 -1.26 -0.94 118.68 126.27 1mtr s LEU 10 Ca 0.60 0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.98 1mtr s LEU 10 Cb 0.00 -2.15 -0.05 0.00 0.03 0.00 0.00 46.19 44.02 1mtr s LEU 10 CO 0.06 0.13 0.02 0.68 0.23 0.00 0.00 176.35 177.48 1mtr s VAL 11 N 0.57 0.84 -0.00 -1.59 -7.23 0.75 -4.90 120.40 108.85 1mtr s VAL 11 Ca 0.09 -2.01 -0.22 0.00 -1.81 0.00 0.00 61.98 58.03 1mtr s VAL 11 Cb -0.12 -2.38 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 1mtr s VAL 11 CO 0.01 -0.27 0.66 -0.89 -0.31 0.00 0.00 175.10 174.30 1mtr s THR 12 N -3.55 4.88 0.29 5.32 2.01 -1.26 0.17 115.64 123.49 1mtr s THR 12 Ca 0.30 1.39 0.07 0.00 0.31 0.00 0.00 61.69 63.76 1mtr s THR 12 Cb 0.06 -4.00 -0.06 0.00 0.01 0.00 0.00 72.50 68.51 1mtr s THR 12 CO 0.09 0.37 -0.05 0.27 -0.69 0.00 0.00 174.62 174.61 1mtr s ILE 13 N 0.02 1.67 -0.07 1.82 -4.36 0.56 -4.64 121.20 116.20 1mtr s ILE 13 Ca 0.34 -2.12 0.01 0.00 -0.26 0.00 0.00 60.65 58.62 1mtr s ILE 13 Cb -0.19 -2.50 0.02 0.00 1.25 0.00 0.00 42.46 41.04 1mtr s ILE 13 CO 0.19 -0.27 -0.07 -0.60 0.24 0.00 0.00 174.94 174.43 1mtr s ARG 14 N -3.73 1.23 -0.14 0.37 3.52 -0.08 -1.23 118.95 118.89 1mtr s ARG 14 Ca 0.30 -0.22 -0.09 0.00 -0.13 0.00 0.00 55.73 55.59 1mtr s ARG 14 Cb 0.04 -1.18 0.05 0.00 -1.56 0.00 0.00 34.95 32.30 1mtr s ARG 14 CO 0.13 -0.10 0.35 -1.50 -0.81 0.00 0.00 175.30 173.37 1mtr s ILE 15 N 1.07 -0.02 -1.91 4.11 2.07 0.10 -1.09 121.20 125.53 1mtr s ILE 15 Ca -0.08 0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.23 1mtr s ILE 15 Cb -0.14 -0.52 0.00 0.00 0.13 0.00 0.00 42.46 41.93 1mtr s ILE 15 CO -0.01 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.66 1mtr n GLY 16 N 3.77 0.40 1.37 1.50 0.00 -1.26 -0.28 105.19 110.68 1mtr n GLY 16 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1mtr n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mtr n GLY 17 N -0.78 1.00 3.65 -0.02 0.00 -1.26 -5.04 105.19 102.74 1mtr n GLY 17 Ca -0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 1mtr n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mtr s GLN 18 N -0.54 2.34 -0.18 1.61 -0.21 0.61 -5.11 119.66 118.18 1mtr s GLN 18 Ca 0.00 -1.19 -0.07 0.00 0.02 0.00 0.00 55.36 54.13 1mtr s GLN 18 Cb 0.00 -2.29 -0.04 0.00 1.00 0.00 0.00 33.01 31.68 1mtr s GLN 18 CO 0.00 0.43 0.04 -0.51 -2.12 0.00 0.00 175.29 173.14 1mtr s LEU 19 N -3.07 3.69 0.17 2.90 1.02 -1.26 0.01 118.68 122.13 1mtr s LEU 19 Ca 0.28 0.03 0.00 0.00 0.02 0.00 0.00 54.13 54.46 1mtr s LEU 19 Cb -0.09 -1.92 -0.04 0.00 0.02 0.00 0.00 46.19 44.16 1mtr s LEU 19 CO 0.18 0.17 0.05 -0.54 0.02 0.00 0.00 176.35 176.23 1mtr s LYS 20 N 0.38 1.08 -0.12 1.70 1.02 -0.36 -4.97 119.74 118.46 1mtr s LYS 20 Ca 0.02 -1.53 -0.05 0.00 0.02 0.00 0.00 55.97 54.42 1mtr s LYS 20 Cb -0.13 0.00 -0.04 0.00 -0.52 0.00 0.00 37.83 37.15 1mtr s LYS 20 CO 0.01 -0.23 0.08 -1.21 -0.92 0.00 0.00 175.35 173.08 1mtr s GLU 21 N -4.01 3.40 0.02 1.68 0.41 -1.26 -0.33 118.70 118.61 1mtr s GLU 21 Ca 0.27 -0.26 -0.07 0.00 -0.41 0.00 0.00 54.97 54.50 1mtr s GLU 21 Cb 0.07 -3.07 -0.00 0.00 -1.78 0.00 0.00 34.13 29.35 1mtr s GLU 21 CO 0.05 0.65 0.12 0.00 -0.49 0.00 0.00 175.26 175.60 1mtr s ALA 22 N -0.70 -0.25 -0.11 5.21 0.00 0.13 -4.39 121.76 121.64 1mtr s ALA 22 Ca 0.12 -0.27 -0.18 0.00 0.00 0.00 0.00 51.96 51.64 1mtr s ALA 22 Cb -0.12 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1mtr s ALA 22 CO 0.03 -0.24 0.47 -1.17 0.00 0.00 0.00 175.76 174.84 1mtr s LEU 23 N -1.62 4.29 -0.38 0.00 2.96 -0.10 -0.17 118.68 123.64 1mtr s LEU 23 Ca -0.12 0.82 -0.26 0.00 -0.22 0.00 0.00 54.13 54.35 1mtr s LEU 23 Cb -0.06 -2.68 0.02 0.00 0.50 0.00 0.00 46.19 43.97 1mtr s LEU 23 CO -0.00 0.02 0.93 -0.76 -1.32 0.00 0.00 176.35 175.22 1mtr s LEU 24 N 0.53 3.99 -0.33 -0.68 1.02 -0.12 -0.38 118.68 122.71 1mtr s LEU 24 Ca 0.26 0.52 0.04 0.00 0.02 0.00 0.00 54.13 54.96 1mtr s LEU 24 Cb -0.15 -3.26 0.09 0.00 0.02 0.00 0.00 46.19 42.89 1mtr s LEU 24 CO 0.10 -0.89 0.02 -0.62 0.02 0.00 0.00 176.35 174.98 1mtr s ASP 25 N 1.94 4.72 0.37 2.29 2.15 -0.32 -4.77 116.67 123.06 1mtr s ASP 25 Ca 0.38 -2.02 0.28 0.00 0.43 0.00 0.00 52.55 51.62 1mtr s ASP 25 Cb -0.12 -1.62 1.17 0.00 -0.30 0.00 0.00 42.92 42.06 1mtr s ASP 25 CO 0.20 -0.35 1.82 0.71 -0.17 0.00 0.00 175.17 177.39 1mtr h THR 26 N 6.64 0.00 -0.39 1.71 1.35 -1.95 -2.28 112.91 117.98 1mtr h THR 26 Ca -0.07 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1mtr h THR 26 Cb 1.02 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1mtr h THR 26 CO 0.51 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 1mtr n GLY 27 N -0.09 1.12 3.45 5.82 0.00 -1.26 -4.82 105.19 109.40 1mtr n GLY 27 Ca 0.01 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 1mtr n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mtr s ALA 28 N -1.48 3.13 0.29 4.61 0.00 -0.86 -4.97 121.76 122.48 1mtr s ALA 28 Ca 0.34 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 51.22 1mtr s ALA 28 Cb 0.18 -2.00 0.43 0.00 0.00 0.00 0.00 23.12 21.74 1mtr s ALA 28 CO 0.25 -0.40 1.78 -0.44 0.00 0.00 0.00 175.76 176.96 1mtr h ASP 29 N 8.03 0.61 -1.85 0.00 3.32 -1.88 -0.76 116.42 123.89 1mtr h ASP 29 Ca -0.38 -0.15 -0.61 0.00 0.02 0.00 0.00 57.03 55.91 1mtr h ASP 29 Cb 1.17 -0.16 -0.13 0.00 0.22 0.00 0.00 39.33 40.43 1mtr h ASP 29 CO 0.59 0.73 -0.60 -1.81 -1.72 0.00 0.00 179.24 176.43 1mtr s ASP 30 N -6.71 3.68 -0.21 6.45 1.01 -1.26 -3.75 116.67 115.87 1mtr s ASP 30 Ca -0.08 -1.38 -0.08 0.00 0.71 0.00 0.00 52.55 51.72 1mtr s ASP 30 Cb 0.15 -0.33 -0.04 0.00 1.01 0.00 0.00 42.92 43.70 1mtr s ASP 30 CO 0.79 -0.48 0.08 -0.89 0.21 0.00 0.00 175.17 174.88 1mtr s THR 31 N -2.80 4.75 -0.18 -1.27 2.01 -1.26 -3.17 115.64 113.73 1mtr s THR 31 Ca 0.35 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.32 1mtr s THR 31 Cb 0.10 -3.18 0.03 0.00 0.01 0.00 0.00 72.50 69.45 1mtr s THR 31 CO 0.17 0.40 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.64 1mtr s VAL 32 N 0.90 1.89 -0.02 3.82 1.01 -0.18 -1.16 120.40 126.66 1mtr s VAL 32 Ca 0.04 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.13 1mtr s VAL 32 Cb -0.14 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1mtr s VAL 32 CO 0.03 0.44 -0.04 -0.63 0.00 0.00 0.00 175.10 174.90 1mtr s ILE 33 N 1.34 3.90 0.52 2.22 -1.09 0.11 -0.15 121.20 128.05 1mtr s ILE 33 Ca 0.03 -0.62 -0.22 0.00 -2.23 0.00 0.00 60.65 57.61 1mtr s ILE 33 Cb -0.14 -2.69 -0.06 0.00 -1.58 0.00 0.00 42.46 38.00 1mtr s ILE 33 CO -0.11 0.44 1.30 -1.83 -1.23 0.00 0.00 174.94 173.50 1mtr s GLU 34 N -1.33 3.34 -0.36 2.79 -1.05 -1.26 -2.32 118.70 118.51 1mtr s GLU 34 Ca 0.17 2.09 -0.33 0.00 -0.15 0.00 0.00 54.97 56.76 1mtr s GLU 34 Cb -0.11 -2.31 -0.14 0.00 -0.44 0.00 0.00 34.13 31.13 1mtr s GLU 34 CO 0.07 -0.99 1.44 -1.91 0.95 0.00 0.00 175.26 174.82 1mtr n GLU 35 N -0.85 0.00 -3.83 -4.83 4.07 -1.01 -4.71 120.64 109.48 1mtr n GLU 35 Ca 0.09 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 57.08 1mtr n GLU 35 Cb 0.46 -1.09 -0.09 0.00 -0.06 0.00 0.00 31.44 30.66 1mtr n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1mtr s MET 36 N 3.72 0.63 -1.36 5.31 0.23 -1.26 -5.03 119.30 121.54 1mtr s MET 36 Ca 0.84 -0.44 -0.13 0.00 -1.03 0.00 0.00 55.69 54.93 1mtr s MET 36 Cb -1.09 0.27 0.10 0.00 -1.53 0.00 0.00 34.83 32.58 1mtr s MET 36 CO 0.51 -0.17 1.96 -1.71 -2.03 0.00 0.00 175.02 173.58 1mtr n ASN 37 N 1.07 4.55 -4.75 -1.18 2.85 -1.26 -4.97 115.26 111.56 1mtr n ASN 37 Ca -0.21 -2.95 -0.40 0.00 -0.11 0.00 0.00 54.58 50.92 1mtr n ASN 37 Cb 0.57 -1.61 -0.05 0.00 1.24 0.00 0.00 39.78 39.92 1mtr n ASN 37 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1mtr s LEU 38 N 1.80 4.49 0.64 1.20 1.43 -1.26 -5.04 118.68 121.94 1mtr s LEU 38 Ca 0.46 1.50 -0.11 0.00 -1.03 0.00 0.00 54.13 54.94 1mtr s LEU 38 Cb 0.09 -3.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.05 1mtr s LEU 38 CO -0.02 0.07 1.05 -2.16 0.23 0.00 0.00 176.35 175.52 1mtr s PRO 39 N -0.37 3.39 0.00 1.29 0.04 -1.26 -4.98 135.00 133.11 1mtr s PRO 39 Ca 0.38 0.69 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1mtr s PRO 39 Cb -0.21 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1mtr s PRO 39 CO 0.24 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 176.98 1mtr n GLY 40 N -2.78 3.01 3.83 0.56 0.00 -1.26 -5.06 105.19 103.49 1mtr n GLY 40 Ca 0.06 -1.97 -0.33 0.00 0.00 0.00 0.00 46.02 43.79 1mtr n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mtr s LYS 41 N -2.30 4.13 0.13 1.61 3.01 -1.26 -5.07 119.74 119.98 1mtr s LYS 41 Ca 0.00 0.94 -0.08 0.00 -1.01 0.00 0.00 55.97 55.82 1mtr s LYS 41 Cb 0.00 -2.27 -0.01 0.00 -1.01 0.00 0.00 37.83 34.54 1mtr s LYS 41 CO 0.00 0.02 0.21 1.67 0.51 0.00 0.00 175.35 177.77 1mtr s TRP 42 N -2.14 0.36 0.03 3.18 1.48 -1.26 -4.65 118.94 115.95 1mtr s TRP 42 Ca 0.59 -0.76 0.06 0.00 -1.06 0.00 0.00 56.10 54.94 1mtr s TRP 42 Cb -0.09 -0.11 -0.02 0.00 -1.16 0.00 0.00 33.47 32.08 1mtr s TRP 42 CO 0.16 -0.62 -0.19 0.15 -4.06 0.00 0.00 176.95 172.39 1mtr s LYS 43 N -3.94 1.31 0.43 3.25 -0.14 -0.52 -4.90 119.74 115.23 1mtr s LYS 43 Ca 0.13 -0.84 -0.22 0.00 -1.36 0.00 0.00 55.97 53.68 1mtr s LYS 43 Cb 0.04 -1.37 -0.09 0.00 -1.68 0.00 0.00 37.83 34.74 1mtr s LYS 43 CO -0.04 0.35 1.02 -1.25 -0.76 0.00 0.00 175.35 174.67 1mtr s PRO 44 N -1.01 4.07 0.10 -1.68 0.04 -1.26 -0.43 135.00 134.82 1mtr s PRO 44 Ca 0.06 1.37 -0.25 0.00 0.04 0.00 0.00 61.00 62.21 1mtr s PRO 44 Cb -0.08 -2.32 0.08 0.00 0.04 0.00 0.00 34.50 32.22 1mtr s PRO 44 CO 0.01 -0.20 0.67 -1.59 0.04 0.00 0.00 177.00 175.93 1mtr s LYS 45 N -2.88 1.16 -0.08 4.56 -2.85 -0.46 -4.86 119.74 114.32 1mtr s LYS 45 Ca 0.62 -0.33 0.03 0.00 -1.00 0.00 0.00 55.97 55.28 1mtr s LYS 45 Cb -0.17 0.53 -0.01 0.00 -2.06 0.00 0.00 37.83 36.12 1mtr s LYS 45 CO 0.21 -0.49 -0.18 -1.64 0.10 0.00 0.00 175.35 173.35 1mtr s MET 46 N -3.26 2.86 0.05 1.78 -1.94 -1.26 -0.35 119.30 117.19 1mtr s MET 46 Ca 0.00 -0.78 0.07 0.00 -1.71 0.00 0.00 55.69 53.28 1mtr s MET 46 Cb -0.01 -2.39 -0.03 0.00 2.01 0.00 0.00 34.83 34.42 1mtr s MET 46 CO -0.09 0.37 -0.20 0.96 -0.01 0.00 0.00 175.02 176.04 1mtr s ILE 47 N -0.09 1.64 0.17 2.53 -4.36 -0.79 -4.95 121.20 115.35 1mtr s ILE 47 Ca -0.04 -1.24 0.08 0.00 -0.26 0.00 0.00 60.65 59.19 1mtr s ILE 47 Cb -0.14 -1.44 -0.04 0.00 1.25 0.00 0.00 42.46 42.09 1mtr s ILE 47 CO 0.04 0.15 -0.06 -0.83 0.24 0.00 0.00 174.94 174.48 1mtr s GLY 48 N -1.30 1.74 0.00 6.27 0.00 -1.26 -1.34 107.32 111.43 1mtr s GLY 48 Ca 0.07 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.38 1mtr s GLY 48 CO 0.02 -1.42 0.00 0.61 0.00 0.00 0.00 173.10 172.31 1mtr n GLY 49 N 0.03 3.85 0.39 0.20 0.00 0.40 -4.97 105.19 105.09 1mtr n GLY 49 Ca -0.10 -1.59 -0.03 0.00 0.00 0.00 0.00 46.02 44.29 1mtr n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1mtr n ILE 50 N 0.00 -0.55 0.98 -0.61 5.41 -1.26 -2.74 119.36 120.59 1mtr n ILE 50 Ca 0.00 2.33 0.09 0.00 1.00 0.00 0.00 62.75 66.17 1mtr n ILE 50 Cb 0.00 -3.03 0.30 0.00 -0.71 0.00 0.00 39.64 36.19 1mtr n ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1mtr n GLY 51 N -1.42 0.60 0.00 7.39 0.00 -1.26 -5.02 105.19 105.48 1mtr n GLY 51 Ca 0.08 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1mtr n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mtr n GLY 52 N 1.17 0.85 3.66 -0.02 0.00 -1.11 -5.11 105.19 104.62 1mtr n GLY 52 Ca 0.16 -1.78 -0.28 0.00 0.00 0.00 0.00 46.02 44.12 1mtr n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mtr s PHE 53 N -3.19 2.87 0.06 1.61 0.40 -1.26 -0.46 117.98 118.02 1mtr s PHE 53 Ca 0.00 -0.11 0.04 0.00 -0.60 0.00 0.00 56.93 56.25 1mtr s PHE 53 Cb 0.00 -1.42 -0.03 0.00 0.51 0.00 0.00 43.02 42.08 1mtr s PHE 53 CO 0.00 0.49 -0.11 0.96 0.70 0.00 0.00 175.22 177.27 1mtr s ILE 54 N -1.55 0.84 0.03 0.64 -4.36 -0.45 -4.96 121.20 111.38 1mtr s ILE 54 Ca 0.26 -1.26 -0.22 0.00 -0.26 0.00 0.00 60.65 59.17 1mtr s ILE 54 Cb -0.10 -0.92 -0.06 0.00 1.25 0.00 0.00 42.46 42.63 1mtr s ILE 54 CO 0.18 -0.35 0.66 -0.54 0.24 0.00 0.00 174.94 175.13 1mtr s LYS 55 N -1.84 4.38 0.11 0.37 1.02 -1.26 -1.88 119.74 120.63 1mtr s LYS 55 Ca -0.04 0.87 -0.02 0.00 0.02 0.00 0.00 55.97 56.80 1mtr s LYS 55 Cb -0.09 -3.33 -0.03 0.00 -0.52 0.00 0.00 37.83 33.86 1mtr s LYS 55 CO 0.01 0.39 0.07 0.14 -0.92 0.00 0.00 175.35 175.04 1mtr s VAL 56 N -0.34 0.13 -0.18 3.17 -7.23 0.53 -4.46 120.40 112.02 1mtr s VAL 56 Ca 0.33 -1.78 -0.05 0.00 -1.81 0.00 0.00 61.98 58.67 1mtr s VAL 56 Cb -0.19 -1.85 -0.03 0.00 0.56 0.00 0.00 36.38 34.87 1mtr s VAL 56 CO 0.20 -0.59 -0.00 -0.13 -0.31 0.00 0.00 175.10 174.27 1mtr s ARG 57 N -4.00 3.70 -0.26 4.82 0.52 0.14 -1.35 118.95 122.53 1mtr s ARG 57 Ca 0.18 -0.49 -0.15 0.00 -0.52 0.00 0.00 55.73 54.76 1mtr s ARG 57 Cb 0.07 -3.05 -0.04 0.00 0.52 0.00 0.00 34.95 32.45 1mtr s ARG 57 CO -0.02 0.14 0.35 -1.14 0.02 0.00 0.00 175.30 174.65 1mtr s GLN 58 N 0.66 4.04 -0.10 3.54 0.74 0.43 -0.72 119.66 128.25 1mtr s GLN 58 Ca -0.00 0.03 0.01 0.00 0.05 0.00 0.00 55.36 55.44 1mtr s GLN 58 Cb -0.14 -3.63 -0.02 0.00 1.10 0.00 0.00 33.01 30.32 1mtr s GLN 58 CO 0.02 -0.21 -0.13 0.71 -0.55 0.00 0.00 175.29 175.13 1mtr s TYR 59 N 1.85 2.78 0.21 1.67 1.51 -0.44 -1.44 117.35 123.48 1mtr s TYR 59 Ca 0.15 -0.48 0.06 0.00 -1.01 0.00 0.00 57.07 55.78 1mtr s TYR 59 Cb -0.15 -1.78 -0.04 0.00 -0.11 0.00 0.00 41.96 39.88 1mtr s TYR 59 CO 0.09 -0.08 0.19 -0.51 -1.11 0.00 0.00 175.55 174.13 1mtr s ASP 60 N 0.00 5.64 -1.40 2.29 1.01 -1.26 -0.74 116.67 122.21 1mtr s ASP 60 Ca -0.04 -0.15 -0.05 0.00 0.71 0.00 0.00 52.55 53.03 1mtr s ASP 60 Cb -0.14 -1.49 0.03 0.00 1.01 0.00 0.00 42.92 42.33 1mtr s ASP 60 CO 0.04 0.01 0.75 0.00 0.21 0.00 0.00 175.17 176.18 1mtr n GLN 61 N -0.81 -4.83 -3.63 8.23 1.13 -1.13 -4.88 117.38 111.47 1mtr n GLN 61 Ca -0.08 0.58 -0.36 0.00 -1.94 0.00 0.00 57.00 55.20 1mtr n GLN 61 Cb 0.56 -5.18 -0.08 0.00 0.11 0.00 0.00 30.24 25.65 1mtr n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1mtr s ILE 62 N -3.59 5.35 0.02 5.09 -1.09 -0.05 -4.74 121.20 122.20 1mtr s ILE 62 Ca 0.22 0.34 -0.30 0.00 -2.23 0.00 0.00 60.65 58.68 1mtr s ILE 62 Cb -0.11 -3.55 -0.05 0.00 -1.58 0.00 0.00 42.46 37.17 1mtr s ILE 62 CO 0.83 0.39 1.20 -2.84 -1.23 0.00 0.00 174.94 173.30 1mtr s PRO 63 N 0.61 4.41 -0.04 2.79 0.02 -1.26 -1.97 135.00 139.55 1mtr s PRO 63 Ca 0.11 1.74 0.00 0.00 0.02 0.00 0.00 61.00 62.88 1mtr s PRO 63 Cb -0.12 -3.42 0.03 0.00 0.02 0.00 0.00 34.50 31.00 1mtr s PRO 63 CO 0.02 -0.32 -0.01 0.08 -0.33 0.00 0.00 177.00 176.44 1mtr s VAL 64 N 1.45 0.31 -0.23 3.83 1.01 -0.50 -4.33 120.40 121.94 1mtr s VAL 64 Ca 0.58 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.51 1mtr s VAL 64 Cb -0.28 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1mtr s VAL 64 CO 0.27 0.19 0.11 -0.70 0.00 0.00 0.00 175.10 174.97 1mtr s GLU 65 N 1.18 3.96 -0.36 2.72 2.12 -0.25 -1.77 118.70 126.29 1mtr s GLU 65 Ca -0.07 -0.33 0.06 0.00 0.36 0.00 0.00 54.97 54.98 1mtr s GLU 65 Cb -0.14 -3.41 0.47 0.00 0.26 0.00 0.00 34.13 31.32 1mtr s GLU 65 CO -0.02 0.07 1.44 -0.89 -0.54 0.00 0.00 175.26 175.32 1mtr n ILE 66 N 4.21 2.75 0.00 -3.70 5.41 -1.26 -0.91 119.36 125.86 1mtr n ILE 66 Ca -0.16 -3.53 0.00 0.00 1.00 0.00 0.00 62.75 60.07 1mtr n ILE 66 Cb 0.52 -0.88 0.00 0.00 -0.71 0.00 0.00 39.64 38.57 1mtr n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1mtr n GLY 68 N -0.89 0.00 3.62 7.39 0.00 -1.26 -4.73 105.19 109.32 1mtr n GLY 68 Ca 0.44 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.11 1mtr n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1mtr s HIS 69 N 0.00 3.22 0.24 1.61 4.02 -1.26 -5.10 115.29 118.02 1mtr s HIS 69 Ca 0.00 0.04 -0.23 0.00 1.02 0.00 0.00 55.06 55.88 1mtr s HIS 69 Cb 0.00 -2.05 -0.09 0.00 -1.02 0.00 0.00 32.58 29.43 1mtr s HIS 69 CO 0.00 0.16 0.81 0.15 1.02 0.00 0.00 174.74 176.88 1mtr s LYS 70 N 0.28 4.45 0.21 1.40 1.02 -1.26 -4.33 119.74 121.51 1mtr s LYS 70 Ca 0.03 1.10 -0.18 0.00 0.02 0.00 0.00 55.97 56.94 1mtr s LYS 70 Cb -0.13 -2.97 0.02 0.00 -0.52 0.00 0.00 37.83 34.24 1mtr s LYS 70 CO 0.01 0.41 0.55 0.00 -0.92 0.00 0.00 175.35 175.40 1mtr s ALA 71 N -1.44 -0.93 -0.26 5.17 0.00 -0.73 -4.77 121.76 118.81 1mtr s ALA 71 Ca 0.43 -0.28 -0.16 0.00 0.00 0.00 0.00 51.96 51.95 1mtr s ALA 71 Cb -0.19 0.88 0.08 0.00 0.00 0.00 0.00 23.12 23.88 1mtr s ALA 71 CO 0.24 -0.85 0.64 -1.50 0.00 0.00 0.00 175.76 174.29 1mtr s ILE 72 N -3.89 -0.00 -0.53 0.00 2.07 -1.26 -1.41 121.20 116.17 1mtr s ILE 72 Ca 0.11 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.36 1mtr s ILE 72 Cb -0.02 -0.93 0.00 0.00 0.13 0.00 0.00 42.46 41.64 1mtr s ILE 72 CO -0.00 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 1mtr n GLY 73 N 4.18 -0.96 3.73 1.50 0.00 -0.83 -4.86 105.19 107.95 1mtr n GLY 73 Ca -0.20 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 1mtr n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mtr s THR 74 N -3.00 3.57 -0.04 2.61 2.01 -1.26 -0.87 115.64 118.66 1mtr s THR 74 Ca 0.00 1.28 0.03 0.00 0.31 0.00 0.00 61.69 63.32 1mtr s THR 74 Cb 0.00 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.69 1mtr s THR 74 CO 0.00 0.19 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.29 1mtr s VAL 75 N 0.12 1.16 -0.15 3.82 1.01 0.08 -4.52 120.40 121.91 1mtr s VAL 75 Ca 0.54 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 1mtr s VAL 75 Cb -0.33 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1mtr s VAL 75 CO 0.36 0.35 0.04 -0.76 0.00 0.00 0.00 175.10 175.09 1mtr s LEU 76 N 0.20 3.75 -0.14 3.92 1.43 -0.31 -1.33 118.68 126.19 1mtr s LEU 76 Ca -0.05 0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 53.13 1mtr s LEU 76 Cb -0.11 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 1mtr s LEU 76 CO 0.02 0.24 -0.08 -0.69 0.23 0.00 0.00 176.35 176.06 1mtr s VAL 77 N -0.03 3.47 0.11 -1.59 1.01 0.10 -0.71 120.40 122.76 1mtr s VAL 77 Ca 0.05 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.28 1mtr s VAL 77 Cb -0.12 -2.49 0.08 0.00 0.00 0.00 0.00 36.38 33.85 1mtr s VAL 77 CO 0.01 0.51 1.14 -0.83 0.00 0.00 0.00 175.10 175.93 1mtr s GLY 78 N 0.37 0.04 -1.22 4.51 0.00 -0.98 -0.68 107.32 109.37 1mtr s GLY 78 Ca -0.07 -0.23 -0.20 0.00 0.00 0.00 0.00 44.72 44.22 1mtr s GLY 78 CO 0.04 3.98 1.76 2.56 0.00 0.00 0.00 173.10 181.44 1mtr s PRO 79 N -2.05 3.52 -0.04 2.90 0.04 -1.26 -2.40 135.00 135.70 1mtr s PRO 79 Ca 0.26 -1.62 0.01 0.00 0.04 0.00 0.00 61.00 59.70 1mtr s PRO 79 Cb -0.02 -5.43 -0.03 0.00 0.04 0.00 0.00 34.50 29.06 1mtr s PRO 79 CO 0.03 -2.71 -0.06 -0.08 0.04 0.00 0.00 177.00 174.22 1mtr s THR 80 N 6.19 3.75 0.40 1.26 -1.32 -1.26 -5.01 115.64 119.64 1mtr s THR 80 Ca 0.57 -0.56 0.28 0.00 -1.21 0.00 0.00 61.69 60.77 1mtr s THR 80 Cb 0.02 -2.57 0.29 0.00 -1.51 0.00 0.00 72.50 68.74 1mtr s THR 80 CO 0.07 0.53 2.06 1.55 -2.21 0.00 0.00 174.62 176.62 1mtr h PRO 81 N 4.99 0.00 -3.82 7.08 0.13 -1.99 -3.44 132.00 134.94 1mtr h PRO 81 Ca -0.49 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.51 1mtr h PRO 81 Cb 1.17 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.12 1mtr h PRO 81 CO 0.53 0.12 -0.56 0.14 -0.23 0.00 0.00 178.00 178.00 1mtr s VAL 82 N -4.16 0.13 0.15 1.56 -7.23 -1.26 -5.08 120.40 104.51 1mtr s VAL 82 Ca -0.03 -1.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.79 1mtr s VAL 82 Cb 0.13 -0.77 -0.07 0.00 0.56 0.00 0.00 36.38 36.23 1mtr s VAL 82 CO 0.58 -0.58 1.07 0.20 -0.31 0.00 0.00 175.10 176.06 1mtr s ASN 83 N -1.96 7.31 -0.15 4.85 0.01 -1.26 -4.65 114.94 119.09 1mtr s ASN 83 Ca -0.07 2.00 0.00 0.00 -0.71 0.00 0.00 52.86 54.09 1mtr s ASN 83 Cb -0.03 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.05 1mtr s ASN 83 CO -0.03 -0.20 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.58 1mtr s ILE 84 N -0.06 1.59 -0.33 0.60 1.01 0.79 -0.93 121.20 123.87 1mtr s ILE 84 Ca 0.50 -0.64 -0.16 0.00 0.00 0.00 0.00 60.65 60.34 1mtr s ILE 84 Cb -0.28 -1.48 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 1mtr s ILE 84 CO 0.33 0.46 0.42 -0.63 0.00 0.00 0.00 174.94 175.52 1mtr s ILE 85 N 1.44 5.12 0.63 2.92 -1.09 0.48 -1.01 121.20 129.70 1mtr s ILE 85 Ca 0.04 0.26 0.01 0.00 -2.23 0.00 0.00 60.65 58.74 1mtr s ILE 85 Cb -0.13 -3.84 0.12 0.00 -1.58 0.00 0.00 42.46 37.03 1mtr s ILE 85 CO -0.10 -0.08 0.87 0.61 -1.23 0.00 0.00 174.94 175.01 1mtr n GLY 86 N 4.84 0.86 0.33 6.18 0.00 -1.19 -1.17 105.19 115.03 1mtr n GLY 86 Ca -0.07 -2.05 0.14 0.00 0.00 0.00 0.00 46.02 44.03 1mtr n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1mtr h ARG 87 N 0.00 0.10 -0.25 1.61 3.08 -1.28 -1.55 114.38 116.09 1mtr h ARG 87 Ca -0.29 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 59.82 1mtr h ARG 87 Cb 1.10 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 1mtr h ARG 87 CO 0.32 0.06 0.18 -2.95 -1.07 0.00 0.00 179.97 176.51 1mtr h ASN 88 N 0.10 0.06 0.00 7.04 -1.07 -1.82 -1.71 115.58 118.17 1mtr h ASN 88 Ca 0.17 0.00 -0.30 0.00 0.07 0.00 0.00 56.30 56.24 1mtr h ASN 88 Cb 0.56 -0.01 -0.06 0.00 -2.07 0.00 0.00 38.32 36.74 1mtr h ASN 88 CO -0.02 0.04 -2.16 0.18 0.07 0.00 0.00 177.43 175.54 1mtr n LEU 89 N -4.48 0.00 -0.30 6.14 4.32 -0.90 -4.43 117.00 117.35 1mtr n LEU 89 Ca 0.03 0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 55.97 1mtr n LEU 89 Cb 0.29 0.41 0.07 0.00 -1.62 0.00 0.00 43.42 42.57 1mtr n LEU 89 CO 0.35 0.41 1.10 -0.07 -1.22 0.00 0.00 177.39 177.96 1mtr h LEU 90 N 0.00 1.08 -1.52 2.23 3.38 -0.98 -1.82 115.31 117.68 1mtr h LEU 90 Ca -0.45 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.36 1mtr h LEU 90 Cb 2.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.48 1mtr h LEU 90 CO 0.02 0.92 0.14 0.71 0.09 0.00 0.00 178.44 180.33 1mtr h THR 91 N 1.17 1.13 0.00 0.22 1.35 -1.55 -1.94 112.91 113.29 1mtr h THR 91 Ca 0.28 -0.38 -0.04 0.00 -0.55 0.00 0.00 66.41 65.72 1mtr h THR 91 Cb 0.13 0.73 -0.01 0.00 -1.73 0.00 0.00 68.15 67.27 1mtr h THR 91 CO -0.03 0.15 -0.21 1.56 -0.25 0.00 0.00 175.52 176.73 1mtr h GLN 92 N 0.46 0.00 -0.64 4.72 4.20 -1.54 -2.59 115.11 119.71 1mtr h GLN 92 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1mtr h GLN 92 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1mtr h GLN 92 CO -0.01 0.21 0.00 0.44 -0.67 0.00 0.00 178.83 178.80 1mtr n ILE 93 N -3.68 1.55 -1.96 2.54 -5.35 -0.74 -4.94 119.36 106.78 1mtr n ILE 93 Ca -0.01 -1.15 -0.02 0.00 -0.27 0.00 0.00 62.75 61.30 1mtr n ILE 93 Cb 0.33 0.25 -0.01 0.00 -1.74 0.00 0.00 39.64 38.47 1mtr n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mtr n GLY 94 N 1.18 -4.50 0.00 3.28 0.00 -0.98 -5.11 105.19 99.06 1mtr n GLY 94 Ca 0.24 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1mtr n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mtr n THR 96 N 1.05 0.00 -3.68 2.61 -2.24 -1.26 -5.04 114.28 105.72 1mtr n THR 96 Ca -0.12 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.29 1mtr n THR 96 Cb 0.18 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.35 1mtr n THR 96 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1mtr s LEU 97 N 0.00 4.39 -0.02 3.22 1.43 -1.26 -5.09 118.68 121.36 1mtr s LEU 97 Ca 0.00 0.65 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 1mtr s LEU 97 Cb 0.00 -2.31 0.02 0.00 0.03 0.00 0.00 46.19 43.93 1mtr s LEU 97 CO 0.00 0.32 0.01 0.20 0.23 0.00 0.00 176.35 177.11 1mtr s ASN 98 N -0.75 0.13 0.00 2.29 -0.87 -1.26 -5.30 114.94 109.18 1mtr s ASN 98 Ca 0.18 0.01 0.00 0.00 -1.57 0.00 0.00 52.86 51.48 1mtr s ASN 98 Cb -0.14 -0.07 0.00 0.00 -0.02 0.00 0.00 41.25 41.02 1mtr s ASN 98 CO 0.07 -0.08 0.00 2.22 -2.57 0.00 0.00 177.10 176.74