#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i87 n LYS 2 N 0.00 -3.28 -2.75 -1.24 5.02 -1.26 -5.06 118.16 109.60 1i87 n LYS 2 Ca 0.00 2.59 -0.07 0.00 -2.02 0.00 0.00 58.31 58.81 1i87 n LYS 2 Cb 0.00 -3.65 -0.02 0.00 -0.02 0.00 0.00 35.03 31.34 1i87 n LYS 2 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1i87 n ASP 3 N 1.81 -0.50 -4.05 4.39 8.00 -1.26 -5.17 116.55 119.76 1i87 n ASP 3 Ca -0.23 -1.88 -0.17 0.00 0.71 0.00 0.00 54.79 53.22 1i87 n ASP 3 Cb 0.39 0.98 -0.13 0.00 -0.02 0.00 0.00 41.12 42.34 1i87 n ASP 3 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1i87 s VAL 4 N -2.60 0.71 0.04 2.53 1.01 -1.26 -4.67 120.40 116.17 1i87 s VAL 4 Ca 0.14 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.52 1i87 s VAL 4 Cb 0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 1i87 s VAL 4 CO 0.10 -0.02 -0.22 -0.54 0.00 0.00 0.00 175.10 174.43 1i87 s LYS 5 N -0.78 1.93 -1.24 2.72 3.01 -1.26 -4.82 119.74 119.30 1i87 s LYS 5 Ca -0.01 -1.05 -0.19 0.00 -1.01 0.00 0.00 55.97 53.71 1i87 s LYS 5 Cb -0.06 -2.09 0.06 0.00 -1.01 0.00 0.00 37.83 34.74 1i87 s LYS 5 CO 0.00 0.53 1.68 0.71 0.51 0.00 0.00 175.35 178.78 1i87 s TYR 6 N -0.87 2.71 0.00 3.18 1.51 -1.26 -1.15 117.35 121.47 1i87 s TYR 6 Ca 0.13 -1.43 0.00 0.00 -1.01 0.00 0.00 57.07 54.77 1i87 s TYR 6 Cb -0.10 -4.73 0.00 0.00 -0.11 0.00 0.00 41.96 37.01 1i87 s TYR 6 CO 0.04 -1.83 0.00 0.66 -1.11 0.00 0.00 175.55 173.31 1i87 n TYR 7 N 8.61 -1.78 -4.42 2.71 4.01 -0.95 -4.54 117.16 120.80 1i87 n TYR 7 Ca 0.46 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.93 1i87 n TYR 7 Cb 0.47 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.39 1i87 n TYR 7 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1i87 s THR 8 N -0.70 2.48 0.29 -0.72 -4.23 -1.26 -2.43 115.64 109.06 1i87 s THR 8 Ca 0.00 -2.07 0.14 0.00 -1.18 0.00 0.00 61.69 58.58 1i87 s THR 8 Cb 0.00 -2.22 0.07 0.00 1.34 0.00 0.00 72.50 71.69 1i87 s THR 8 CO 0.00 -0.18 1.74 0.25 -0.54 0.00 0.00 174.62 175.89 1i87 h LEU 9 N 2.96 0.00 -1.03 4.79 5.85 -1.96 -2.59 115.31 123.33 1i87 h LEU 9 Ca -0.45 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.18 1i87 h LEU 9 Cb 1.22 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1i87 h LEU 9 CO 0.51 0.45 -0.43 -0.33 -0.34 0.00 0.00 178.44 178.30 1i87 h GLU 10 N 0.00 0.00 -0.30 1.25 5.08 -1.95 -2.30 114.58 116.36 1i87 h GLU 10 Ca -0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1i87 h GLU 10 Cb 0.86 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 1i87 h GLU 10 CO 0.06 0.43 -0.34 0.93 -1.00 0.00 0.00 179.01 179.09 1i87 h GLU 11 N 0.00 0.76 -0.58 2.33 5.08 -1.84 -3.08 114.58 117.25 1i87 h GLU 11 Ca -0.00 -0.42 -0.07 0.00 -1.00 0.00 0.00 59.36 57.87 1i87 h GLU 11 Cb 0.86 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1i87 h GLU 11 CO 0.06 1.04 0.09 0.82 -1.00 0.00 0.00 179.01 180.02 1i87 h ILE 12 N 0.52 1.26 -0.98 3.13 2.04 -1.41 -2.92 117.51 119.15 1i87 h ILE 12 Ca 0.04 -1.00 -0.48 0.00 1.00 0.00 0.00 64.86 64.43 1i87 h ILE 12 Cb 0.92 0.77 -0.17 0.00 -0.74 0.00 0.00 36.82 37.61 1i87 h ILE 12 CO 0.08 0.36 0.37 0.00 0.00 0.00 0.00 178.15 178.97 1i87 n GLN 13 N -4.31 2.34 -2.64 2.37 6.02 -0.88 -4.18 117.38 116.10 1i87 n GLN 13 Ca 0.03 -2.24 -0.05 0.00 -0.01 0.00 0.00 57.00 54.73 1i87 n GLN 13 Cb 0.28 -2.09 0.06 0.00 1.02 0.00 0.00 30.24 29.51 1i87 n GLN 13 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1i87 n LYS 14 N 0.87 0.77 -0.72 -1.09 3.00 -1.10 -4.93 118.16 114.95 1i87 n LYS 14 Ca 0.47 -1.28 0.06 0.00 -0.00 0.00 0.00 58.31 57.56 1i87 n LYS 14 Cb 0.57 0.00 0.16 0.00 0.00 0.00 0.00 35.03 35.76 1i87 n LYS 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1i87 n HIS 15 N -0.60 0.00 0.26 5.64 8.25 -1.26 -4.76 115.22 122.75 1i87 n HIS 15 Ca -0.13 -1.21 0.10 0.00 -0.26 0.00 0.00 57.72 56.22 1i87 n HIS 15 Cb 0.76 -0.21 0.68 0.00 1.12 0.00 0.00 29.99 32.33 1i87 n HIS 15 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1i87 h LYS 16 N 0.87 0.00 0.00 -0.41 2.10 -1.93 -2.06 116.57 115.14 1i87 h LYS 16 Ca -0.05 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.35 1i87 h LYS 16 Cb 1.19 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.48 1i87 h LYS 16 CO 0.02 0.08 -1.54 0.22 -2.00 0.00 0.00 179.45 176.23 1i87 h ASP 17 N 0.00 0.00 -3.83 7.07 3.58 -2.01 -3.46 116.42 117.77 1i87 h ASP 17 Ca -0.00 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 56.97 1i87 h ASP 17 Cb 0.16 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 1i87 h ASP 17 CO 0.01 0.91 0.28 -0.55 -2.88 0.00 0.00 179.24 177.01 1i87 s SER 18 N -6.12 7.21 -0.15 2.28 0.15 -0.78 -4.95 113.70 111.35 1i87 s SER 18 Ca -0.03 1.70 0.10 0.00 0.70 0.00 0.00 55.95 58.42 1i87 s SER 18 Cb 0.08 -2.53 0.55 0.00 -1.71 0.00 0.00 66.02 62.41 1i87 s SER 18 CO 0.82 -0.08 1.35 1.17 1.20 0.00 0.00 173.24 177.70 1i87 n LYS 19 N 0.44 3.55 -3.28 5.44 4.81 -1.26 -4.86 118.16 122.99 1i87 n LYS 19 Ca 0.02 -2.12 -0.40 0.00 -0.87 0.00 0.00 58.31 54.94 1i87 n LYS 19 Cb 0.51 -1.98 -0.08 0.00 0.02 0.00 0.00 35.03 33.50 1i87 n LYS 19 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1i87 s SER 20 N -0.56 6.35 -0.24 3.14 0.01 -1.26 -4.83 113.70 116.31 1i87 s SER 20 Ca 0.37 0.34 -0.29 0.00 1.31 0.00 0.00 55.95 57.68 1i87 s SER 20 Cb 0.27 -2.26 -0.01 0.00 0.21 0.00 0.00 66.02 64.24 1i87 s SER 20 CO 0.12 -0.29 1.41 0.28 0.41 0.00 0.00 173.24 175.17 1i87 s THR 21 N 2.25 3.99 -1.02 1.44 -1.32 -1.26 -4.94 115.64 114.77 1i87 s THR 21 Ca 0.19 1.14 -0.04 0.00 -1.21 0.00 0.00 61.69 61.76 1i87 s THR 21 Cb -0.16 -3.95 0.28 0.00 -1.51 0.00 0.00 72.50 67.17 1i87 s THR 21 CO 0.10 -0.34 1.21 0.79 -2.21 0.00 0.00 174.62 174.17 1i87 n TRP 22 N 7.69 3.54 -2.72 9.09 7.02 -1.24 -2.59 117.44 138.24 1i87 n TRP 22 Ca 0.16 -3.33 -0.43 0.00 -1.02 0.00 0.00 57.50 52.88 1i87 n TRP 22 Cb 0.46 -1.30 -0.03 0.00 -2.42 0.00 0.00 31.31 28.02 1i87 n TRP 22 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1i87 s VAL 23 N -2.14 4.71 0.18 -0.99 1.01 -0.96 -4.76 120.40 117.44 1i87 s VAL 23 Ca 0.31 1.88 -0.30 0.00 0.00 0.00 0.00 61.98 63.88 1i87 s VAL 23 Cb -0.00 -4.27 -0.08 0.00 0.00 0.00 0.00 36.38 32.03 1i87 s VAL 23 CO 0.01 -0.18 0.96 -0.63 0.00 0.00 0.00 175.10 175.26 1i87 s ILE 24 N 3.15 4.22 -0.17 2.22 -1.09 -1.26 -1.97 121.20 126.29 1i87 s ILE 24 Ca 0.42 2.04 -0.07 0.00 -2.23 0.00 0.00 60.65 60.81 1i87 s ILE 24 Cb -0.15 -4.30 0.08 0.00 -1.58 0.00 0.00 42.46 36.51 1i87 s ILE 24 CO 0.07 0.41 0.37 -0.22 -1.23 0.00 0.00 174.94 174.34 1i87 s LEU 25 N -0.65 -0.41 -1.16 2.97 2.96 -0.18 -4.94 118.68 117.27 1i87 s LEU 25 Ca 0.44 0.86 -0.13 0.00 -0.22 0.00 0.00 54.13 55.08 1i87 s LEU 25 Cb -0.25 1.16 -0.02 0.00 0.50 0.00 0.00 46.19 47.58 1i87 s LEU 25 CO 0.32 -0.22 0.79 1.41 -1.32 0.00 0.00 176.35 177.32 1i87 n HIS 26 N 5.12 -2.03 -1.79 5.38 8.25 -1.26 -1.24 115.22 127.65 1i87 n HIS 26 Ca -0.11 0.63 -0.14 0.00 -0.26 0.00 0.00 57.72 57.83 1i87 n HIS 26 Cb 0.51 -3.79 -0.04 0.00 1.12 0.00 0.00 29.99 27.79 1i87 n HIS 26 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1i87 n HIS 27 N -3.98 -0.68 -4.42 4.41 -0.00 -1.26 -4.94 115.22 104.34 1i87 n HIS 27 Ca -0.13 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.31 1i87 n HIS 27 Cb 0.62 -2.83 -0.13 0.00 -0.00 0.00 0.00 29.99 27.65 1i87 n HIS 27 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1i87 s LYS 28 N -3.88 1.36 -0.23 1.57 2.20 -0.38 -2.87 119.74 117.51 1i87 s LYS 28 Ca 0.00 -1.26 -0.08 0.00 -0.36 0.00 0.00 55.97 54.27 1i87 s LYS 28 Cb 0.00 -1.75 -0.04 0.00 -1.51 0.00 0.00 37.83 34.53 1i87 s LYS 28 CO 0.00 0.42 0.10 0.08 -0.36 0.00 0.00 175.35 175.59 1i87 s VAL 29 N -1.05 4.81 -0.17 4.02 1.01 -0.23 -1.01 120.40 127.77 1i87 s VAL 29 Ca 0.11 -0.01 -0.06 0.00 0.00 0.00 0.00 61.98 62.02 1i87 s VAL 29 Cb -0.10 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 1i87 s VAL 29 CO 0.05 0.37 0.03 -0.31 0.00 0.00 0.00 175.10 175.24 1i87 s TYR 30 N 1.10 3.19 -1.00 5.22 1.51 -0.83 -2.49 117.35 124.06 1i87 s TYR 30 Ca 0.05 -0.02 -0.05 0.00 -1.01 0.00 0.00 57.07 56.05 1i87 s TYR 30 Cb -0.14 -2.04 0.25 0.00 -0.11 0.00 0.00 41.96 39.92 1i87 s TYR 30 CO 0.04 0.12 0.94 -3.47 -1.11 0.00 0.00 175.55 172.07 1i87 n ASP 31 N 3.48 4.81 -2.25 2.29 2.03 -1.04 -2.27 116.55 123.61 1i87 n ASP 31 Ca -0.17 -3.10 -0.25 0.00 0.52 0.00 0.00 54.79 51.80 1i87 n ASP 31 Cb 0.52 -1.20 0.01 0.00 -0.72 0.00 0.00 41.12 39.74 1i87 n ASP 31 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1i87 n LEU 32 N 2.44 6.74 0.23 -2.67 4.32 -1.07 -4.49 117.00 122.51 1i87 n LEU 32 Ca 0.23 -3.84 0.11 0.00 -0.02 0.00 0.00 56.01 52.49 1i87 n LEU 32 Cb 0.38 -1.11 0.54 0.00 -1.62 0.00 0.00 43.42 41.60 1i87 n LEU 32 CO 0.41 1.49 0.85 0.00 -1.22 0.00 0.00 177.39 178.92 1i87 h THR 33 N 1.44 0.53 0.00 -5.08 1.03 -1.88 -2.50 112.91 106.45 1i87 h THR 33 Ca 0.40 -0.96 -0.17 0.00 -0.01 0.00 0.00 66.41 65.67 1i87 h THR 33 Cb 0.76 1.65 -0.02 0.00 -1.07 0.00 0.00 68.15 69.47 1i87 h THR 33 CO 0.98 0.19 -0.81 0.50 -0.01 0.00 0.00 175.52 176.36 1i87 h LYS 34 N 0.00 0.00 0.00 0.00 3.64 -1.96 -3.18 116.57 115.07 1i87 h LYS 34 Ca -0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 1i87 h LYS 34 Cb 0.64 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 1i87 h LYS 34 CO 0.03 0.81 -0.61 0.35 -2.27 0.00 0.00 179.45 177.76 1i87 h PHE 35 N 0.00 0.00 0.00 1.91 3.04 -1.80 0.49 116.94 120.58 1i87 h PHE 35 Ca -0.01 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.88 1i87 h PHE 35 Cb 1.60 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 40.10 1i87 h PHE 35 CO 0.00 0.61 -0.31 1.25 -2.02 0.00 0.00 178.31 177.84 1i87 h LEU 36 N 0.00 0.00 0.00 0.59 6.46 -1.46 -1.43 115.31 119.47 1i87 h LEU 36 Ca -0.01 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1i87 h LEU 36 Cb 1.13 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.06 1i87 h LEU 36 CO 0.08 0.31 -1.95 1.21 -0.62 0.00 0.00 178.44 177.47 1i87 n GLU 37 N -4.13 0.63 0.16 1.25 2.13 -1.08 -4.29 120.64 115.30 1i87 n GLU 37 Ca -0.02 -0.19 0.04 0.00 0.66 0.00 0.00 57.16 57.66 1i87 n GLU 37 Cb 0.35 -1.49 0.07 0.00 0.27 0.00 0.00 31.44 30.64 1i87 n GLU 37 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1i87 h GLU 38 N 0.00 0.00 -2.39 5.31 4.81 0.17 -3.37 114.58 119.11 1i87 h GLU 38 Ca -0.01 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.63 1i87 h GLU 38 Cb 0.96 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 29.93 1i87 h GLU 38 CO 0.00 0.41 -0.71 0.72 -0.73 0.00 0.00 179.01 178.71 1i87 n HIS 39 N -3.22 2.49 0.17 0.92 8.25 -0.56 -4.92 115.22 118.37 1i87 n HIS 39 Ca 0.02 -4.02 0.19 0.00 -0.26 0.00 0.00 57.72 53.64 1i87 n HIS 39 Cb 0.69 -0.47 0.77 0.00 1.12 0.00 0.00 29.99 32.10 1i87 n HIS 39 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1i87 h PRO 40 N 4.56 0.00 -4.33 -0.41 0.11 -1.76 -2.72 132.00 127.45 1i87 h PRO 40 Ca 0.17 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.65 1i87 h PRO 40 Cb 0.74 0.00 0.04 0.00 0.11 0.00 0.00 31.00 31.89 1i87 h PRO 40 CO 0.71 0.00 2.41 0.41 -0.21 0.00 0.00 178.00 181.32 1i87 n GLY 41 N -1.40 2.79 0.00 -0.55 0.00 -1.26 -3.09 105.19 101.68 1i87 n GLY 41 Ca 0.04 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1i87 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i87 n GLY 42 N 4.41 1.61 5.17 -0.02 0.00 -1.24 -3.73 105.19 111.39 1i87 n GLY 42 Ca 0.49 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1i87 n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i87 n GLU 43 N 0.00 0.00 -1.41 1.61 1.02 -1.03 -3.64 120.64 117.20 1i87 n GLU 43 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 1i87 n GLU 43 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 1i87 n GLU 43 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1i87 n GLU 44 N 0.00 3.54 -0.18 3.49 -0.58 -1.26 -4.32 120.64 121.34 1i87 n GLU 44 Ca 0.00 -2.27 -0.10 0.00 -0.42 0.00 0.00 57.16 54.37 1i87 n GLU 44 Cb 0.00 -2.60 0.01 0.00 -0.57 0.00 0.00 31.44 28.28 1i87 n GLU 44 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1i87 h VAL 45 N 2.70 1.27 0.08 2.62 2.07 -1.92 -1.34 116.25 121.72 1i87 h VAL 45 Ca 0.71 -1.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1i87 h VAL 45 Cb 0.51 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1i87 h VAL 45 CO 1.42 0.43 -0.04 -0.07 0.02 0.00 0.00 177.57 179.34 1i87 h LEU 46 N 0.85 -0.09 -6.69 2.57 3.38 -1.86 -3.38 115.31 110.10 1i87 h LEU 46 Ca 0.14 -0.50 -0.74 0.00 0.09 0.00 0.00 57.88 56.87 1i87 h LEU 46 Cb 0.64 0.02 -0.33 0.00 0.09 0.00 0.00 40.66 41.08 1i87 h LEU 46 CO 0.04 0.59 0.30 -2.11 0.09 0.00 0.00 178.44 177.35 1i87 n ARG 47 N -4.80 3.78 0.21 1.13 1.85 -1.24 -4.80 116.66 112.79 1i87 n ARG 47 Ca -0.07 -4.60 0.05 0.00 -1.00 0.00 0.00 57.85 52.23 1i87 n ARG 47 Cb 0.29 -2.42 0.47 0.00 -1.05 0.00 0.00 32.46 29.75 1i87 n ARG 47 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1i87 h GLU 48 N 5.03 0.00 -6.23 2.89 5.08 -1.42 -3.45 114.58 116.48 1i87 h GLU 48 Ca 0.20 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 58.11 1i87 h GLU 48 Cb 0.64 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1i87 h GLU 48 CO 1.16 0.25 -0.80 1.04 -1.00 0.00 0.00 179.01 179.66 1i87 n GLN 49 N -4.10 -5.15 -0.06 2.33 1.13 -1.26 -4.88 117.38 105.39 1i87 n GLN 49 Ca -0.02 0.60 -0.08 0.00 -1.94 0.00 0.00 57.00 55.56 1i87 n GLN 49 Cb 0.32 -5.31 -0.15 0.00 0.11 0.00 0.00 30.24 25.21 1i87 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1i87 n ALA 50 N -4.50 1.58 0.00 -1.58 0.00 -1.26 -4.97 120.51 109.78 1i87 n ALA 50 Ca -0.12 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.30 1i87 n ALA 50 Cb 0.60 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1i87 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i87 n GLY 51 N 1.63 0.11 0.00 0.00 0.00 -1.26 -5.16 105.19 100.51 1i87 n GLY 51 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1i87 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i87 n GLY 52 N 0.00 2.29 0.00 -0.02 0.00 -1.26 -5.19 105.19 101.01 1i87 n GLY 52 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1i87 n GLY 52 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i87 n ASP 53 N 0.00 0.00 -4.81 1.61 5.68 -1.26 -5.14 116.55 112.63 1i87 n ASP 53 Ca 0.00 -0.52 -0.36 0.00 -0.50 0.00 0.00 54.79 53.42 1i87 n ASP 53 Cb 0.00 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 39.92 1i87 n ASP 53 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1i87 s ALA 54 N -1.00 3.26 0.30 2.12 0.00 -1.26 -5.07 121.76 120.12 1i87 s ALA 54 Ca 0.00 0.33 -0.12 0.00 0.00 0.00 0.00 51.96 52.17 1i87 s ALA 54 Cb 0.00 -3.01 0.01 0.00 0.00 0.00 0.00 23.12 20.12 1i87 s ALA 54 CO 0.00 0.24 0.57 0.99 0.00 0.00 0.00 175.76 177.56 1i87 s THR 55 N -1.72 0.00 -0.04 0.00 2.01 -1.26 -5.06 115.64 109.58 1i87 s THR 55 Ca 0.50 -1.32 -0.05 0.00 0.31 0.00 0.00 61.69 61.13 1i87 s THR 55 Cb -0.15 -2.41 -0.28 0.00 0.01 0.00 0.00 72.50 69.67 1i87 s THR 55 CO 0.20 0.00 0.71 -0.08 -0.69 0.00 0.00 174.62 174.76 1i87 h GLU 56 N 2.14 0.29 -3.35 4.92 4.57 -2.04 -3.42 114.58 117.69 1i87 h GLU 56 Ca -0.27 -0.49 -0.63 0.00 -1.18 0.00 0.00 59.36 56.79 1i87 h GLU 56 Cb 1.25 0.18 -0.41 0.00 -0.16 0.00 0.00 28.75 29.62 1i87 h GLU 56 CO 0.35 1.16 -0.67 -0.80 -1.18 0.00 0.00 179.01 177.87 1i87 s ASN 57 N -7.04 4.12 -0.35 1.04 0.01 -1.26 -4.94 114.94 106.52 1i87 s ASN 57 Ca -0.13 -2.79 0.15 0.00 -0.71 0.00 0.00 52.86 49.38 1i87 s ASN 57 Cb 0.06 -1.42 0.44 0.00 0.41 0.00 0.00 41.25 40.75 1i87 s ASN 57 CO 0.84 -0.26 0.97 2.22 -1.51 0.00 0.00 177.10 179.36 1i87 n PHE 58 N 3.38 1.58 -4.01 2.20 -1.74 -1.26 -5.06 117.46 112.55 1i87 n PHE 58 Ca 0.06 -2.93 -0.35 0.00 -0.56 0.00 0.00 57.45 53.67 1i87 n PHE 58 Cb 0.34 -0.33 -0.13 0.00 1.52 0.00 0.00 39.48 40.89 1i87 n PHE 58 CO 0.00 0.00 0.00 -2.00 -0.56 0.00 0.00 176.76 174.20 1i87 s GLU 59 N -3.17 3.62 -0.65 3.97 2.12 -1.26 -4.76 118.70 118.57 1i87 s GLU 59 Ca 0.32 -0.52 0.05 0.00 0.36 0.00 0.00 54.97 55.19 1i87 s GLU 59 Cb 0.44 -3.12 0.27 0.00 0.26 0.00 0.00 34.13 31.98 1i87 s GLU 59 CO -0.01 -0.03 0.83 -0.40 -0.54 0.00 0.00 175.26 175.11 1i87 n ASP 60 N 4.38 4.07 -4.50 -1.70 5.75 -1.26 -5.06 116.55 118.22 1i87 n ASP 60 Ca -0.17 -3.50 -0.30 0.00 -0.01 0.00 0.00 54.79 50.81 1i87 n ASP 60 Cb 0.52 -0.67 -0.11 0.00 -1.03 0.00 0.00 41.12 39.82 1i87 n ASP 60 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1i87 s VAL 61 N -2.96 2.98 -0.56 2.12 0.11 -1.26 -4.74 120.40 116.08 1i87 s VAL 61 Ca 0.42 -1.33 -0.01 0.00 -2.93 0.00 0.00 61.98 58.13 1i87 s VAL 61 Cb 0.18 -2.34 0.46 0.00 -1.53 0.00 0.00 36.38 33.15 1i87 s VAL 61 CO -0.04 0.18 1.99 0.61 -3.33 0.00 0.00 175.10 174.52 1i87 n GLY 62 N 1.02 5.27 2.87 6.54 0.00 -1.24 -4.87 105.19 114.77 1i87 n GLY 62 Ca -0.15 -1.84 -0.21 0.00 0.00 0.00 0.00 46.02 43.82 1i87 n GLY 62 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1i87 s HIS 63 N -3.38 0.76 -0.17 1.61 5.04 -1.26 -4.99 115.29 112.91 1i87 s HIS 63 Ca 0.58 -0.22 -0.03 0.00 -1.54 0.00 0.00 55.06 53.84 1i87 s HIS 63 Cb 0.46 -0.72 0.01 0.00 0.04 0.00 0.00 32.58 32.38 1i87 s HIS 63 CO 0.02 -0.23 0.07 0.45 -2.34 0.00 0.00 174.74 172.70 1i87 n SER 64 N 4.33 -5.64 -4.56 9.88 2.88 -1.26 -4.84 113.62 114.40 1i87 n SER 64 Ca -0.20 1.13 -0.42 0.00 -1.33 0.00 0.00 58.87 58.04 1i87 n SER 64 Cb 0.51 -3.99 -0.03 0.00 -0.75 0.00 0.00 64.21 59.94 1i87 n SER 64 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1i87 s THR 65 N -1.02 4.14 0.39 2.46 -4.23 -1.26 -5.00 115.64 111.13 1i87 s THR 65 Ca -0.08 0.71 0.04 0.00 -1.18 0.00 0.00 61.69 61.18 1i87 s THR 65 Cb 0.01 -4.66 -0.04 0.00 1.34 0.00 0.00 72.50 69.14 1i87 s THR 65 CO 0.51 -1.26 0.08 -1.81 -0.54 0.00 0.00 174.62 171.61 1i87 s ASP 66 N 2.90 2.89 -0.07 3.99 1.01 -1.26 -5.10 116.67 121.02 1i87 s ASP 66 Ca 0.39 -1.55 -0.04 0.00 0.71 0.00 0.00 52.55 52.06 1i87 s ASP 66 Cb -0.09 0.25 -0.01 0.00 1.01 0.00 0.00 42.92 44.07 1i87 s ASP 66 CO 0.24 -0.78 -0.08 0.00 0.21 0.00 0.00 175.17 174.76 1i87 h ALA 67 N 1.84 0.00 -2.53 5.23 0.00 -2.04 -3.47 119.26 118.29 1i87 h ALA 67 Ca -0.39 -0.32 -0.50 0.00 0.00 0.00 0.00 54.91 53.70 1i87 h ALA 67 Cb 1.27 0.22 0.08 0.00 0.00 0.00 0.00 17.79 19.35 1i87 h ALA 67 CO 0.65 0.22 0.41 -0.98 0.00 0.00 0.00 179.25 179.55 1i87 s ARG 68 N -1.58 3.17 0.00 0.00 1.70 -1.26 -5.04 118.95 115.94 1i87 s ARG 68 Ca -0.06 1.51 0.00 0.00 -0.47 0.00 0.00 55.73 56.70 1i87 s ARG 68 Cb 0.01 -1.99 0.00 0.00 -0.57 0.00 0.00 34.95 32.40 1i87 s ARG 68 CO 0.09 -0.98 0.00 0.39 -1.08 0.00 0.00 175.30 173.73 1i87 n GLU 69 N -1.72 1.72 -0.49 3.89 -0.58 -1.26 -4.99 120.64 117.21 1i87 n GLU 69 Ca 0.11 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.88 1i87 n GLU 69 Cb 0.51 0.00 0.22 0.00 -0.57 0.00 0.00 31.44 31.60 1i87 n GLU 69 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1i87 n LEU 70 N 0.00 3.59 -4.04 -4.62 -0.00 -1.26 -4.73 117.00 105.94 1i87 n LEU 70 Ca 0.00 -1.82 -0.41 0.00 -0.00 0.00 0.00 56.01 53.78 1i87 n LEU 70 Cb 0.00 -0.60 -0.02 0.00 -0.00 0.00 0.00 43.42 42.80 1i87 n LEU 70 CO 0.00 0.46 2.26 -1.54 -0.00 0.00 0.00 177.39 178.57 1i87 n SER 71 N 0.33 3.85 0.00 1.96 3.41 -1.26 -3.57 113.62 118.33 1i87 n SER 71 Ca 0.15 -2.82 0.00 0.00 -0.26 0.00 0.00 58.87 55.94 1i87 n SER 71 Cb 0.77 -1.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 1i87 n SER 71 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1i87 n LYS 72 N 7.15 0.00 -0.08 4.33 0.00 -1.26 -4.95 118.16 123.34 1i87 n LYS 72 Ca 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 58.31 58.77 1i87 n LYS 72 Cb 0.42 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 35.29 1i87 n LYS 72 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1i87 n THR 73 N -1.20 1.01 -1.43 3.15 -2.24 -1.23 -4.42 114.28 107.93 1i87 n THR 73 Ca 0.00 -0.76 -0.26 0.00 -2.27 0.00 0.00 64.05 60.76 1i87 n THR 73 Cb 0.00 -0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 67.85 1i87 n THR 73 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1i87 n TYR 74 N -2.62 1.61 -4.17 4.78 4.01 -1.23 -4.92 117.16 114.62 1i87 n TYR 74 Ca -0.25 -1.96 -0.24 0.00 -0.16 0.00 0.00 57.90 55.29 1i87 n TYR 74 Cb 1.00 -1.34 -0.07 0.00 -0.31 0.00 0.00 39.34 38.62 1i87 n TYR 74 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1i87 s ILE 75 N -2.29 2.64 0.00 -0.72 1.01 -1.26 -2.50 121.20 118.08 1i87 s ILE 75 Ca 0.56 -1.77 0.00 0.00 0.00 0.00 0.00 60.65 59.44 1i87 s ILE 75 Cb 0.37 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.90 1i87 s ILE 75 CO -0.20 -0.12 0.00 2.30 0.00 0.00 0.00 174.94 176.92 1i87 n ILE 76 N -1.13 0.00 -0.89 2.92 -5.35 -1.04 -4.73 119.36 109.14 1i87 n ILE 76 Ca -0.03 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 1i87 n ILE 76 Cb 0.63 -0.55 0.00 0.00 -1.74 0.00 0.00 39.64 37.98 1i87 n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1i87 n GLY 77 N 2.56 -0.74 0.34 3.28 0.00 -1.24 -4.14 105.19 105.25 1i87 n GLY 77 Ca 0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 46.02 45.63 1i87 n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i87 n GLU 78 N 0.00 1.86 -4.20 1.61 1.02 -0.30 -1.07 120.64 119.56 1i87 n GLU 78 Ca 0.00 -0.34 -0.31 0.00 -0.02 0.00 0.00 57.16 56.49 1i87 n GLU 78 Cb 0.00 0.09 -0.09 0.00 -0.02 0.00 0.00 31.44 31.42 1i87 n GLU 78 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1i87 s LEU 79 N 0.00 3.38 -0.04 -4.62 0.20 -1.14 -2.25 118.68 114.22 1i87 s LEU 79 Ca 0.00 -0.18 -0.29 0.00 0.69 0.00 0.00 54.13 54.35 1i87 s LEU 79 Cb -0.00 -2.08 -0.08 0.00 -0.43 0.00 0.00 46.19 43.60 1i87 s LEU 79 CO 0.00 0.20 2.00 -2.28 -0.29 0.00 0.00 176.35 175.98 1i87 s HIS 80 N -1.23 1.32 0.61 5.38 5.65 -1.02 -4.80 115.29 121.20 1i87 s HIS 80 Ca 0.23 -0.15 0.29 0.00 0.25 0.00 0.00 55.06 55.68 1i87 s HIS 80 Cb -0.12 -4.14 1.51 0.00 -1.18 0.00 0.00 32.58 28.65 1i87 s HIS 80 CO 0.15 -5.03 1.90 -1.35 -0.65 0.00 0.00 174.74 169.76 1i87 h PRO 81 N 11.62 0.00 -0.71 2.88 0.11 -1.95 -1.37 132.00 142.59 1i87 h PRO 81 Ca -0.46 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.74 1i87 h PRO 81 Cb 1.23 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.27 1i87 h PRO 81 CO 0.95 0.00 0.36 0.22 -0.21 0.00 0.00 178.00 179.32 1i87 h ASP 82 N 0.00 0.48 1.09 -2.05 3.58 -1.96 -0.89 116.42 116.67 1i87 h ASP 82 Ca 0.14 0.06 -0.19 0.00 0.42 0.00 0.00 57.03 57.46 1i87 h ASP 82 Cb 0.99 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.99 1i87 h ASP 82 CO -0.00 0.28 -0.89 0.44 -2.88 0.00 0.00 179.24 176.19 1i87 h ASP 83 N 0.62 0.00 0.00 2.28 3.32 -1.64 -3.43 116.42 117.57 1i87 h ASP 83 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1i87 h ASP 83 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1i87 h ASP 83 CO -0.26 0.89 0.00 -1.14 -1.72 0.00 0.00 179.24 177.01 1i87 n ARG 84 N -3.33 1.31 -2.94 3.56 3.00 -0.34 -4.86 116.66 113.06 1i87 n ARG 84 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.42 1i87 n ARG 84 Cb 0.89 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 33.31 1i87 n ARG 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1i87 s SER 85 N -1.88 6.18 -0.00 6.15 0.15 -1.26 -4.75 113.70 118.28 1i87 s SER 85 Ca 0.00 -1.11 0.05 0.00 0.70 0.00 0.00 55.95 55.59 1i87 s SER 85 Cb 0.00 -2.38 0.09 0.00 -1.71 0.00 0.00 66.02 62.02 1i87 s SER 85 CO 0.00 -1.33 1.03 2.29 1.20 0.00 0.00 173.24 176.43 1i87 n LYS 86 N 7.26 0.00 -2.74 5.44 -0.00 -1.26 -4.86 118.16 121.99 1i87 n LYS 86 Ca -0.06 -1.21 -0.03 0.00 -0.00 0.00 0.00 58.31 57.02 1i87 n LYS 86 Cb 0.44 -0.40 0.08 0.00 -0.00 0.00 0.00 35.03 35.15 1i87 n LYS 86 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1i87 n ILE 87 N 0.10 0.73 -0.07 0.58 -0.00 -1.26 -4.90 119.36 114.53 1i87 n ILE 87 Ca 0.01 -2.26 0.01 0.00 -0.00 0.00 0.00 62.75 60.51 1i87 n ILE 87 Cb 0.79 1.07 0.20 0.00 -0.00 0.00 0.00 39.64 41.71 1i87 n ILE 87 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1i87 n ALA 88 N -0.76 3.43 -3.49 -1.28 0.00 -1.26 -4.92 120.51 112.23 1i87 n ALA 88 Ca -0.01 -1.15 -0.22 0.00 0.00 0.00 0.00 53.44 52.07 1i87 n ALA 88 Cb 0.83 -1.10 0.04 0.00 0.00 0.00 0.00 19.45 19.22 1i87 n ALA 88 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1i87 n LYS 89 N 0.22 -1.49 0.20 0.00 5.02 -1.26 -4.91 118.16 115.94 1i87 n LYS 89 Ca 0.18 0.76 -0.17 0.00 -2.02 0.00 0.00 58.31 57.06 1i87 n LYS 89 Cb 0.84 -4.60 -0.10 0.00 -0.02 0.00 0.00 35.03 31.15 1i87 n LYS 89 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1i87 h PRO 90 N -1.15 -0.82 0.00 1.97 0.11 -1.97 -3.47 132.00 126.67 1i87 h PRO 90 Ca -0.53 0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1i87 h PRO 90 Cb 1.29 0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.59 1i87 h PRO 90 CO 0.43 -0.55 0.00 0.43 -0.21 0.00 0.00 178.00 178.10 1i87 n SER 91 N -5.39 0.00 -3.63 -2.05 7.64 -1.26 -5.14 113.62 103.78 1i87 n SER 91 Ca -0.10 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.50 1i87 n SER 91 Cb 0.42 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.47 1i87 n SER 91 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1i87 s GLU 92 N 1.05 0.36 -0.03 1.43 2.12 -1.26 -5.12 118.70 117.24 1i87 s GLU 92 Ca 0.00 -0.51 -0.19 0.00 0.36 0.00 0.00 54.97 54.64 1i87 s GLU 92 Cb 0.00 -1.67 0.04 0.00 0.26 0.00 0.00 34.13 32.75 1i87 s GLU 92 CO 0.00 -0.85 0.40 0.95 -0.54 0.00 0.00 175.26 175.22 1i87 s THR 93 N 1.97 0.04 -2.34 -1.70 -4.23 -1.26 -5.32 115.64 102.79 1i87 s THR 93 Ca 0.05 -0.33 0.29 0.00 -1.18 0.00 0.00 61.69 60.52 1i87 s THR 93 Cb -0.16 -0.70 0.66 0.00 1.34 0.00 0.00 72.50 73.64 1i87 s THR 93 CO -0.22 -0.18 1.90 0.18 -0.54 0.00 0.00 174.62 175.75