#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 0.00 -1.35 -1.24 2.85 -1.26 -5.02 118.16 112.14 1i87 n LYS 2 Ca 0.00 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 56.99 1i87 n LYS 2 Cb 0.00 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.39 1i87 n LYS 2 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1i87 n ASP 3 N -0.27 6.84 -3.68 -5.58 9.92 -1.26 -4.83 116.55 117.70 1i87 n ASP 3 Ca 0.00 -3.36 -0.11 0.00 -0.53 0.00 0.00 54.79 50.80 1i87 n ASP 3 Cb 0.00 -1.11 -0.11 0.00 -0.64 0.00 0.00 41.12 39.25 1i87 n ASP 3 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1i87 s VAL 4 N -3.12 -0.37 0.20 2.53 1.01 -1.26 -4.61 120.40 114.78 1i87 s VAL 4 Ca 0.51 0.18 0.10 0.00 0.00 0.00 0.00 61.98 62.76 1i87 s VAL 4 Cb 0.37 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 1i87 s VAL 4 CO -0.15 0.07 -0.14 -0.75 0.00 0.00 0.00 175.10 174.13 1i87 s LYS 5 N 2.11 1.89 -0.89 2.72 2.20 -1.26 -4.74 119.74 121.77 1i87 s LYS 5 Ca -0.04 -1.38 -0.22 0.00 -0.36 0.00 0.00 55.97 53.97 1i87 s LYS 5 Cb -0.11 -2.04 0.07 0.00 -1.51 0.00 0.00 37.83 34.24 1i87 s LYS 5 CO -0.11 0.41 1.25 0.71 -0.36 0.00 0.00 175.35 177.26 1i87 s TYR 6 N -1.78 2.68 0.00 4.03 1.51 -1.26 0.68 117.35 123.20 1i87 s TYR 6 Ca 0.24 -0.82 0.00 0.00 -1.01 0.00 0.00 57.07 55.49 1i87 s TYR 6 Cb -0.08 -4.51 0.00 0.00 -0.11 0.00 0.00 41.96 37.26 1i87 s TYR 6 CO 0.14 -1.79 0.00 0.66 -1.11 0.00 0.00 175.55 173.45 1i87 n TYR 7 N 8.13 -2.72 -4.30 2.71 4.02 0.46 -4.65 117.16 120.81 1i87 n TYR 7 Ca 0.20 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.87 1i87 n TYR 7 Cb 0.49 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.70 1i87 n TYR 7 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1i87 s THR 8 N -0.89 1.67 0.34 -0.72 -4.23 -1.26 -2.24 115.64 108.30 1i87 s THR 8 Ca 0.00 -1.79 0.19 0.00 -1.18 0.00 0.00 61.69 58.91 1i87 s THR 8 Cb 0.00 -1.70 0.17 0.00 1.34 0.00 0.00 72.50 72.31 1i87 s THR 8 CO 0.00 -0.30 1.89 0.25 -0.54 0.00 0.00 174.62 175.93 1i87 h LEU 9 N 3.47 0.00 -0.73 4.79 5.85 -1.98 -2.35 115.31 124.37 1i87 h LEU 9 Ca -0.42 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.20 1i87 h LEU 9 Cb 1.20 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1i87 h LEU 9 CO 0.49 0.28 -0.47 -0.33 -0.34 0.00 0.00 178.44 178.07 1i87 h GLU 10 N 0.00 0.00 0.00 1.25 5.08 -1.95 -0.67 114.58 118.29 1i87 h GLU 10 Ca -0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1i87 h GLU 10 Cb 0.59 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1i87 h GLU 10 CO 0.04 0.47 -0.90 0.93 -1.00 0.00 0.00 179.01 178.54 1i87 h GLU 11 N 0.00 0.00 0.00 2.33 4.39 -1.85 -3.30 114.58 116.15 1i87 h GLU 11 Ca -0.00 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 1i87 h GLU 11 Cb 1.05 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.67 1i87 h GLU 11 CO 0.06 0.70 -1.26 0.82 -1.16 0.00 0.00 179.01 178.16 1i87 h ILE 12 N 0.00 0.56 -0.94 3.13 2.04 -1.37 -3.36 117.51 117.57 1i87 h ILE 12 Ca -0.04 -2.02 -0.47 0.00 1.00 0.00 0.00 64.86 63.33 1i87 h ILE 12 Cb 1.62 2.09 -0.17 0.00 -0.74 0.00 0.00 36.82 39.62 1i87 h ILE 12 CO 0.09 0.32 0.38 0.00 0.00 0.00 0.00 178.15 178.94 1i87 n GLN 13 N -2.94 2.30 -2.68 2.37 1.13 -0.27 -4.22 117.38 113.07 1i87 n GLN 13 Ca -0.08 -2.20 -0.05 0.00 -1.94 0.00 0.00 57.00 52.74 1i87 n GLN 13 Cb 0.82 -2.06 0.06 0.00 0.11 0.00 0.00 30.24 29.17 1i87 n GLN 13 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1i87 n LYS 14 N 0.82 0.61 -3.97 -1.09 2.85 -1.26 -4.96 118.16 111.16 1i87 n LYS 14 Ca 0.46 -1.21 -0.31 0.00 -1.05 0.00 0.00 58.31 56.20 1i87 n LYS 14 Cb 0.57 -0.14 -0.15 0.00 -0.65 0.00 0.00 35.03 34.65 1i87 n LYS 14 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1i87 s HIS 15 N 0.11 3.24 -0.37 5.58 3.76 -1.26 -4.92 115.29 121.43 1i87 s HIS 15 Ca 0.14 -2.59 0.05 0.00 -0.15 0.00 0.00 55.06 52.51 1i87 s HIS 15 Cb 0.23 -2.46 0.26 0.00 1.11 0.00 0.00 32.58 31.72 1i87 s HIS 15 CO -0.07 -0.91 1.23 0.36 -0.85 0.00 0.00 174.74 174.50 1i87 n LYS 16 N 4.41 0.63 0.00 1.40 2.85 -1.26 -4.86 118.16 121.33 1i87 n LYS 16 Ca -0.01 -1.26 0.00 0.00 -1.05 0.00 0.00 58.31 55.99 1i87 n LYS 16 Cb 0.42 -0.23 0.00 0.00 -0.65 0.00 0.00 35.03 34.57 1i87 n LYS 16 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1i87 n ASP 17 N -0.19 0.39 -2.06 -5.58 -0.08 -1.26 -4.82 116.55 102.95 1i87 n ASP 17 Ca -0.10 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 52.97 1i87 n ASP 17 Cb 0.74 0.00 0.15 0.00 2.34 0.00 0.00 41.12 44.34 1i87 n ASP 17 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1i87 n SER 18 N -2.06 3.95 -1.65 1.67 3.41 -1.26 -4.87 113.62 112.81 1i87 n SER 18 Ca 0.00 -3.38 -0.15 0.00 -0.26 0.00 0.00 58.87 55.08 1i87 n SER 18 Cb 0.09 -0.81 -0.05 0.00 -0.26 0.00 0.00 64.21 63.18 1i87 n SER 18 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1i87 n LYS 19 N -0.87 -1.49 -2.43 4.33 4.81 -1.26 -4.95 118.16 116.30 1i87 n LYS 19 Ca 0.51 0.84 -0.23 0.00 -0.87 0.00 0.00 58.31 58.56 1i87 n LYS 19 Cb 1.43 -5.19 0.06 0.00 0.02 0.00 0.00 35.03 31.34 1i87 n LYS 19 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1i87 s SER 20 N -2.21 5.01 -0.12 3.14 1.04 -1.26 -4.92 113.70 114.38 1i87 s SER 20 Ca 0.00 0.18 -0.04 0.00 0.48 0.00 0.00 55.95 56.57 1i87 s SER 20 Cb 0.00 -0.93 0.06 0.00 0.10 0.00 0.00 66.02 65.25 1i87 s SER 20 CO 0.00 -1.39 0.19 0.28 0.98 0.00 0.00 173.24 173.30 1i87 s THR 21 N -3.01 -0.30 -1.15 2.02 -1.32 -1.26 -4.69 115.64 105.93 1i87 s THR 21 Ca 0.59 0.24 -0.13 0.00 -1.21 0.00 0.00 61.69 61.18 1i87 s THR 21 Cb -0.10 -0.40 0.19 0.00 -1.51 0.00 0.00 72.50 70.68 1i87 s THR 21 CO 0.42 0.07 1.32 0.26 -2.21 0.00 0.00 174.62 174.48 1i87 s TRP 22 N 2.32 3.63 0.79 9.09 0.52 -1.26 -2.97 118.94 131.07 1i87 s TRP 22 Ca 0.03 -2.18 -0.12 0.00 0.02 0.00 0.00 56.10 53.86 1i87 s TRP 22 Cb -0.13 -4.20 0.07 0.00 -1.15 0.00 0.00 33.47 28.06 1i87 s TRP 22 CO -0.07 -1.30 1.16 0.08 0.02 0.00 0.00 176.95 176.83 1i87 s VAL 23 N 1.07 2.36 -0.01 4.03 1.01 -0.83 -4.74 120.40 123.29 1i87 s VAL 23 Ca 0.39 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.49 1i87 s VAL 23 Cb -0.05 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.24 1i87 s VAL 23 CO -0.03 -0.15 -0.03 -0.63 0.00 0.00 0.00 175.10 174.26 1i87 s ILE 24 N -3.51 0.31 -0.89 2.22 1.09 -1.26 0.11 121.20 119.27 1i87 s ILE 24 Ca 0.61 -0.10 -0.01 0.00 -1.10 0.00 0.00 60.65 60.05 1i87 s ILE 24 Cb -0.11 -0.31 0.24 0.00 -1.06 0.00 0.00 42.46 41.22 1i87 s ILE 24 CO 0.50 0.12 0.87 0.18 -0.10 0.00 0.00 174.94 176.51 1i87 n LEU 25 N 3.40 4.44 -2.70 2.97 7.99 -0.23 -4.90 117.00 127.96 1i87 n LEU 25 Ca -0.18 -5.18 -0.05 0.00 -0.01 0.00 0.00 56.01 50.59 1i87 n LEU 25 Cb 0.56 -1.07 -0.04 0.00 -0.11 0.00 0.00 43.42 42.76 1i87 n LEU 25 CO 0.25 1.64 -0.55 1.41 -1.51 0.00 0.00 177.39 178.63 1i87 n HIS 26 N 1.99 -3.63 0.00 -1.77 8.25 -1.26 -3.72 115.22 115.08 1i87 n HIS 26 Ca 0.23 2.11 0.00 0.00 -0.26 0.00 0.00 57.72 59.81 1i87 n HIS 26 Cb 0.37 -3.35 0.00 0.00 1.12 0.00 0.00 29.99 28.13 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 1.89 0.00 -1.71 4.41 -0.00 -1.26 -4.87 115.22 113.67 1i87 n HIS 27 Ca -0.35 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 56.95 1i87 n HIS 27 Cb 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.51 1i87 n HIS 27 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1i87 n LYS 28 N 0.00 2.35 -4.10 1.57 5.02 -1.24 -0.62 118.16 121.14 1i87 n LYS 28 Ca 0.00 0.83 -0.31 0.00 -2.02 0.00 0.00 58.31 56.81 1i87 n LYS 28 Cb 0.00 -2.52 -0.07 0.00 -0.02 0.00 0.00 35.03 32.42 1i87 n LYS 28 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1i87 s VAL 29 N -0.44 4.48 -0.04 -0.18 1.01 0.30 -1.06 120.40 124.47 1i87 s VAL 29 Ca 0.62 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.98 1i87 s VAL 29 Cb -0.56 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 1i87 s VAL 29 CO 0.54 0.21 -0.24 -0.31 0.00 0.00 0.00 175.10 175.29 1i87 s TYR 30 N -1.30 2.31 -0.71 5.22 1.51 0.31 -2.81 117.35 121.89 1i87 s TYR 30 Ca 0.26 -0.61 -0.08 0.00 -1.01 0.00 0.00 57.07 55.63 1i87 s TYR 30 Cb -0.12 -1.51 0.18 0.00 -0.11 0.00 0.00 41.96 40.40 1i87 s TYR 30 CO 0.18 -0.16 0.58 0.34 -1.11 0.00 0.00 175.55 175.39 1i87 s ASP 31 N -0.28 5.97 -0.03 2.29 2.15 -1.15 -1.96 116.67 123.65 1i87 s ASP 31 Ca 0.01 -2.71 0.07 0.00 0.43 0.00 0.00 52.55 50.34 1i87 s ASP 31 Cb -0.12 -2.03 0.26 0.00 -0.30 0.00 0.00 42.92 40.73 1i87 s ASP 31 CO 0.02 -0.49 1.09 0.18 -0.17 0.00 0.00 175.17 175.80 1i87 n LEU 32 N 3.81 1.94 0.28 -1.34 4.77 -1.16 -4.00 117.00 121.30 1i87 n LEU 32 Ca 0.09 -0.98 0.12 0.00 -0.03 0.00 0.00 56.01 55.21 1i87 n LEU 32 Cb 0.42 -0.34 0.78 0.00 -2.33 0.00 0.00 43.42 41.95 1i87 n LEU 32 CO 0.34 0.37 1.08 0.00 -1.33 0.00 0.00 177.39 177.85 1i87 h THR 33 N 1.49 0.73 0.00 -5.08 1.03 -1.91 0.71 112.91 109.88 1i87 h THR 33 Ca 0.00 -0.10 -0.10 0.00 -0.01 0.00 0.00 66.41 66.20 1i87 h THR 33 Cb 0.63 1.06 -0.02 0.00 -1.07 0.00 0.00 68.15 68.75 1i87 h THR 33 CO 0.07 0.03 -0.76 0.07 -0.01 0.00 0.00 175.52 174.91 1i87 h LYS 34 N 0.00 0.00 0.08 0.00 2.10 -1.98 -3.28 116.57 113.49 1i87 h LYS 34 Ca -0.00 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.38 1i87 h LYS 34 Cb 0.06 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.37 1i87 h LYS 34 CO 0.00 0.31 -1.28 0.35 -2.00 0.00 0.00 179.45 176.84 1i87 h PHE 35 N 0.00 0.32 -0.11 0.07 3.04 -1.08 -2.69 116.94 116.49 1i87 h PHE 35 Ca -0.05 -0.23 0.03 0.00 3.98 0.00 0.00 57.97 61.70 1i87 h PHE 35 Cb 1.35 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.84 1i87 h PHE 35 CO 0.00 1.21 0.09 -0.07 -2.02 0.00 0.00 178.31 177.53 1i87 h LEU 36 N 0.05 0.00 0.00 0.59 3.38 0.23 0.41 115.31 119.97 1i87 h LEU 36 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1i87 h LEU 36 Cb 1.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.68 1i87 h LEU 36 CO 0.17 0.00 -1.52 -0.62 0.09 0.00 0.00 178.44 176.55 1i87 n GLU 37 N -4.11 0.63 -0.04 1.13 1.02 -1.22 -4.09 120.64 113.96 1i87 n GLU 37 Ca -0.00 -0.05 -0.16 0.00 -0.02 0.00 0.00 57.16 56.93 1i87 n GLU 37 Cb 0.21 -1.67 -0.13 0.00 -0.02 0.00 0.00 31.44 29.83 1i87 n GLU 37 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1i87 h GLU 38 N 0.00 0.08 -3.32 3.49 4.57 -0.78 -3.40 114.58 115.22 1i87 h GLU 38 Ca 0.00 -0.14 -0.67 0.00 -1.18 0.00 0.00 59.36 57.37 1i87 h GLU 38 Cb 1.00 0.05 -0.38 0.00 -0.16 0.00 0.00 28.75 29.26 1i87 h GLU 38 CO 0.00 1.05 -0.40 -1.01 -1.18 0.00 0.00 179.01 177.47 1i87 s HIS 39 N -2.33 3.54 -0.83 0.92 3.76 -0.02 -5.03 115.29 115.30 1i87 s HIS 39 Ca -0.17 -3.07 -0.22 0.00 -0.15 0.00 0.00 55.06 51.45 1i87 s HIS 39 Cb -0.02 -3.00 -0.19 0.00 1.11 0.00 0.00 32.58 30.48 1i87 s HIS 39 CO 0.73 -0.71 2.36 -2.30 -0.85 0.00 0.00 174.74 173.97 1i87 n PRO 40 N 2.66 0.43 0.01 8.40 -0.02 -1.26 -4.59 135.00 140.63 1i87 n PRO 40 Ca 0.14 -0.46 -0.01 0.00 -2.02 0.00 0.00 63.50 61.15 1i87 n PRO 40 Cb 0.36 -2.78 -0.00 0.00 -0.02 0.00 0.00 33.50 31.05 1i87 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i87 n GLY 41 N 6.33 -0.06 2.58 -1.23 0.00 -1.26 -5.02 105.19 106.53 1i87 n GLY 41 Ca 0.53 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 46.33 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 3.15 -0.36 0.94 -0.02 0.00 -1.26 -4.69 105.19 102.94 1i87 n GLY 42 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.14 0.00 -3.34 1.61 1.02 -1.26 -5.05 120.64 110.49 1i87 n GLU 43 Ca -0.16 0.00 -0.47 0.00 -0.02 0.00 0.00 57.16 56.52 1i87 n GLU 43 Cb 0.63 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 32.04 1i87 n GLU 43 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1i87 s GLU 44 N -0.59 3.70 -0.29 3.49 2.02 -1.26 -4.81 118.70 120.96 1i87 s GLU 44 Ca 0.00 -2.60 -0.18 0.00 0.02 0.00 0.00 54.97 52.21 1i87 s GLU 44 Cb 0.00 -4.45 0.13 0.00 0.10 0.00 0.00 34.13 29.92 1i87 s GLU 44 CO 0.00 -1.28 0.95 0.54 0.02 0.00 0.00 175.26 175.49 1i87 s VAL 45 N -0.09 0.00 0.00 2.63 0.11 -1.26 -4.87 120.40 116.91 1i87 s VAL 45 Ca 0.20 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.25 1i87 s VAL 45 Cb -0.10 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.75 1i87 s VAL 45 CO -0.09 0.00 0.00 0.18 -3.33 0.00 0.00 175.10 171.86 1i87 n LEU 46 N 3.42 0.00 -3.16 2.54 4.77 -1.25 -2.63 117.00 120.68 1i87 n LEU 46 Ca -0.17 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.45 1i87 n LEU 46 Cb 0.57 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.62 1i87 n LEU 46 CO 0.02 -0.22 3.13 -1.14 -1.33 0.00 0.00 177.39 177.84 1i87 n ARG 47 N -0.16 3.56 -1.67 3.23 3.00 -1.26 -4.92 116.66 118.44 1i87 n ARG 47 Ca 0.00 -2.15 -0.29 0.00 -0.00 0.00 0.00 57.85 55.41 1i87 n ARG 47 Cb 0.00 -2.69 0.15 0.00 0.00 0.00 0.00 32.46 29.92 1i87 n ARG 47 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1i87 s GLU 48 N 1.77 0.93 -0.54 -0.14 2.12 -1.08 -4.97 118.70 116.79 1i87 s GLU 48 Ca 0.68 0.03 -0.27 0.00 0.36 0.00 0.00 54.97 55.77 1i87 s GLU 48 Cb 0.20 -1.84 0.03 0.00 0.26 0.00 0.00 34.13 32.78 1i87 s GLU 48 CO -0.06 -2.29 1.10 -0.65 -0.54 0.00 0.00 175.26 172.82 1i87 s GLN 49 N -5.52 3.51 0.00 4.30 1.11 -1.26 -4.94 119.66 116.86 1i87 s GLN 49 Ca 0.67 0.19 0.00 0.00 0.01 0.00 0.00 55.36 56.22 1i87 s GLN 49 Cb -0.11 -3.99 0.00 0.00 -1.01 0.00 0.00 33.01 27.90 1i87 s GLN 49 CO 0.53 -1.54 0.00 0.00 0.01 0.00 0.00 175.29 174.29 1i87 n ALA 50 N 7.99 0.00 -1.92 6.09 0.00 -1.26 -4.95 120.51 126.46 1i87 n ALA 50 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.23 1i87 n ALA 50 Cb 0.49 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.01 1i87 n ALA 50 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1i87 s GLY 51 N -0.84 1.62 0.00 0.00 0.00 -1.26 -4.95 107.32 101.89 1i87 s GLY 51 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.05 1i87 s GLY 51 CO 0.00 -0.23 0.00 0.61 0.00 0.00 0.00 173.10 173.48 1i87 n GLY 52 N -3.13 -0.86 2.75 0.20 0.00 -1.26 -4.98 105.19 97.91 1i87 n GLY 52 Ca 0.08 -1.66 -0.04 0.00 0.00 0.00 0.00 46.02 44.39 1i87 n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1i87 n ASP 53 N -1.66 -3.22 -1.19 1.61 2.03 -1.26 -4.99 116.55 107.86 1i87 n ASP 53 Ca 0.00 -2.76 -0.04 0.00 0.52 0.00 0.00 54.79 52.50 1i87 n ASP 53 Cb 0.00 1.66 -0.02 0.00 -0.72 0.00 0.00 41.12 42.05 1i87 n ASP 53 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1i87 n ALA 54 N 2.79 2.18 -0.26 -1.67 0.00 -1.26 -5.09 120.51 117.21 1i87 n ALA 54 Ca 0.17 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1i87 n ALA 54 Cb 0.57 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1i87 n ALA 54 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1i87 n THR 55 N -0.25 0.00 -1.19 0.00 -2.24 -1.26 -4.89 114.28 104.46 1i87 n THR 55 Ca -0.19 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.74 1i87 n THR 55 Cb 0.62 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.81 1i87 n THR 55 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1i87 n GLU 56 N 0.00 -2.36 -2.85 -0.78 2.13 -1.26 -4.83 120.64 110.68 1i87 n GLU 56 Ca 0.00 1.66 -0.02 0.00 0.66 0.00 0.00 57.16 59.46 1i87 n GLU 56 Cb 0.00 -2.90 -0.02 0.00 0.27 0.00 0.00 31.44 28.79 1i87 n GLU 56 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1i87 n ASN 57 N -4.31 -4.96 0.00 4.31 2.85 -1.26 -4.58 115.26 107.30 1i87 n ASN 57 Ca -0.01 1.11 0.00 0.00 -0.11 0.00 0.00 54.58 55.57 1i87 n ASN 57 Cb 0.64 -3.67 0.00 0.00 1.24 0.00 0.00 39.78 37.98 1i87 n ASN 57 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1i87 n PHE 58 N 1.66 0.00 -0.02 1.20 3.01 -1.26 -3.92 117.46 118.13 1i87 n PHE 58 Ca -0.15 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.35 1i87 n PHE 58 Cb 0.32 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.68 1i87 n PHE 58 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1i87 n GLU 59 N -2.36 0.72 0.15 -1.08 2.13 -1.26 -4.43 120.64 114.51 1i87 n GLU 59 Ca 0.00 -0.10 0.16 0.00 0.66 0.00 0.00 57.16 57.88 1i87 n GLU 59 Cb 0.00 -1.33 0.75 0.00 0.27 0.00 0.00 31.44 31.13 1i87 n GLU 59 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1i87 h ASP 60 N 0.00 0.00 -2.59 4.31 3.58 -1.98 -3.40 116.42 116.34 1i87 h ASP 60 Ca -0.07 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.84 1i87 h ASP 60 Cb 0.87 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.93 1i87 h ASP 60 CO 0.00 0.00 1.08 0.54 -2.88 0.00 0.00 179.24 177.99 1i87 s VAL 61 N -4.84 3.31 0.00 2.25 0.11 -1.26 -4.79 120.40 115.18 1i87 s VAL 61 Ca -0.05 0.51 0.00 0.00 -2.93 0.00 0.00 61.98 59.52 1i87 s VAL 61 Cb 0.17 -3.33 0.00 0.00 -1.53 0.00 0.00 36.38 31.69 1i87 s VAL 61 CO 0.63 -0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.98 1i87 n GLY 62 N 4.16 2.76 0.00 6.54 0.00 -1.26 -5.02 105.19 112.36 1i87 n GLY 62 Ca 0.17 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1i87 n GLY 62 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1i87 n HIS 63 N -1.19 -1.48 -3.32 1.61 -0.00 -1.26 -4.92 115.22 104.66 1i87 n HIS 63 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1i87 n HIS 63 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1i87 n HIS 63 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1i87 n SER 64 N -1.11 -1.90 -0.91 4.39 2.88 -1.26 -4.91 113.62 110.80 1i87 n SER 64 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1i87 n SER 64 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1i87 n SER 64 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1i87 n THR 65 N 0.00 0.00 -5.03 2.46 -2.24 -1.26 -5.13 114.28 103.08 1i87 n THR 65 Ca 0.00 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 1i87 n THR 65 Cb 0.00 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.08 1i87 n THR 65 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1i87 s ASP 66 N 0.00 3.35 -0.08 3.42 -4.77 -1.26 -5.03 116.67 112.30 1i87 s ASP 66 Ca 0.00 -0.45 -0.05 0.00 -3.30 0.00 0.00 52.55 48.74 1i87 s ASP 66 Cb 0.00 -0.45 -0.27 0.00 -1.09 0.00 0.00 42.92 41.11 1i87 s ASP 66 CO 0.00 0.30 0.51 0.00 0.70 0.00 0.00 175.17 176.68 1i87 h ALA 67 N 5.13 0.39 0.00 2.11 0.00 -2.01 -3.48 119.26 121.40 1i87 h ALA 67 Ca -0.45 -1.32 0.00 0.00 0.00 0.00 0.00 54.91 53.14 1i87 h ALA 67 Cb 1.14 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1i87 h ALA 67 CO 0.47 1.26 0.00 -2.13 0.00 0.00 0.00 179.25 178.85 1i87 n ARG 68 N -3.46 0.00 -3.46 0.00 0.63 -1.26 -5.13 116.66 103.97 1i87 n ARG 68 Ca -0.27 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.66 1i87 n ARG 68 Cb 1.06 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.92 1i87 n ARG 68 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1i87 s GLU 69 N -1.51 0.36 0.20 -0.14 2.02 -1.26 -5.03 118.70 113.35 1i87 s GLU 69 Ca 0.00 0.90 0.14 0.00 0.02 0.00 0.00 54.97 56.03 1i87 s GLU 69 Cb 0.00 0.54 -0.03 0.00 0.10 0.00 0.00 34.13 34.74 1i87 s GLU 69 CO 0.00 -0.12 1.29 1.25 0.02 0.00 0.00 175.26 177.69 1i87 h LEU 70 N 7.59 0.00 -5.91 1.80 6.46 -1.96 -3.38 115.31 119.91 1i87 h LEU 70 Ca -0.16 0.00 -0.52 0.00 -0.12 0.00 0.00 57.88 57.07 1i87 h LEU 70 Cb 1.11 0.00 0.03 0.00 -0.73 0.00 0.00 40.66 41.07 1i87 h LEU 70 CO 0.09 0.62 2.55 -1.54 -0.62 0.00 0.00 178.44 179.54 1i87 n SER 71 N -3.19 3.94 0.11 1.25 3.41 -1.26 -3.50 113.62 114.38 1i87 n SER 71 Ca -0.01 -2.51 0.00 0.00 -0.26 0.00 0.00 58.87 56.09 1i87 n SER 71 Cb 0.80 -1.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 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 5.51 0.00 0.10 4.33 3.00 -1.26 -4.89 118.16 124.94 1i87 n LYS 72 Ca 0.48 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.92 1i87 n LYS 72 Cb 0.27 0.00 0.43 0.00 0.00 0.00 0.00 35.03 35.73 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 -3.00 0.55 -0.36 3.15 -2.24 -1.23 -3.20 114.28 107.95 1i87 n THR 73 Ca 0.00 -0.23 -0.01 0.00 -2.27 0.00 0.00 64.05 61.53 1i87 n THR 73 Cb 0.00 -0.60 0.23 0.00 -2.10 0.00 0.00 70.33 67.86 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 -2.18 1.62 -4.12 4.78 4.02 -1.24 -4.91 117.16 115.13 1i87 n TYR 74 Ca 0.06 -0.76 -0.27 0.00 -0.01 0.00 0.00 57.90 56.91 1i87 n TYR 74 Cb 0.41 -0.48 -0.07 0.00 -0.02 0.00 0.00 39.34 39.18 1i87 n TYR 74 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1i87 s ILE 75 N -2.22 4.19 -0.08 -0.72 1.01 -1.19 -2.93 121.20 119.26 1i87 s ILE 75 Ca 0.38 -1.15 0.11 0.00 0.00 0.00 0.00 60.65 60.00 1i87 s ILE 75 Cb 0.30 -3.10 -0.17 0.00 0.01 0.00 0.00 42.46 39.50 1i87 s ILE 75 CO 0.10 -0.06 0.14 2.30 0.00 0.00 0.00 174.94 177.42 1i87 n ILE 76 N -0.08 0.48 -3.58 2.92 -5.35 -1.12 -4.84 119.36 107.78 1i87 n ILE 76 Ca -0.09 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 61.98 1i87 n ILE 76 Cb 0.54 -0.33 0.00 0.00 -1.74 0.00 0.00 39.64 38.11 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 2.08 -0.51 3.52 3.28 0.00 -1.25 -4.42 105.19 107.89 1i87 n GLY 77 Ca -0.12 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.68 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 0.75 -4.09 1.61 1.02 0.21 0.11 120.64 120.26 1i87 n GLU 78 Ca 0.00 -3.25 -0.28 0.00 -0.02 0.00 0.00 57.16 53.61 1i87 n GLU 78 Cb 0.00 0.44 -0.06 0.00 -0.02 0.00 0.00 31.44 31.79 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 3.70 -0.19 -4.62 0.20 0.21 -0.40 118.68 117.58 1i87 s LEU 79 Ca 0.24 -0.12 -0.28 0.00 0.69 0.00 0.00 54.13 54.66 1i87 s LEU 79 Cb -0.02 -2.36 -0.05 0.00 -0.43 0.00 0.00 46.19 43.33 1i87 s LEU 79 CO 0.15 0.13 2.16 -2.28 -0.29 0.00 0.00 176.35 176.22 1i87 s HIS 80 N -1.54 1.22 0.62 5.38 5.65 -0.95 -4.69 115.29 120.97 1i87 s HIS 80 Ca 0.29 0.40 0.29 0.00 0.25 0.00 0.00 55.06 56.29 1i87 s HIS 80 Cb -0.11 -3.98 1.55 0.00 -1.18 0.00 0.00 32.58 28.86 1i87 s HIS 80 CO 0.22 -4.23 1.93 -1.35 -0.65 0.00 0.00 174.74 170.65 1i87 h PRO 81 N 14.28 0.00 -0.10 2.88 0.11 -1.96 0.47 132.00 147.68 1i87 h PRO 81 Ca -0.42 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.72 1i87 h PRO 81 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1i87 h PRO 81 CO 0.96 0.00 0.10 -0.44 -0.21 0.00 0.00 178.00 178.41 1i87 h ASP 82 N 0.00 0.00 0.00 -2.05 5.19 -1.92 -2.66 116.42 114.98 1i87 h ASP 82 Ca 0.12 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.46 1i87 h ASP 82 Cb 0.91 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.40 1i87 h ASP 82 CO -0.00 0.00 -1.47 0.47 -3.12 0.00 0.00 179.24 175.12 1i87 n ASP 83 N -3.99 3.03 -0.14 6.45 8.00 0.08 -1.92 116.55 128.06 1i87 n ASP 83 Ca -0.01 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.43 1i87 n ASP 83 Cb 0.20 1.04 0.02 0.00 -0.02 0.00 0.00 41.12 42.37 1i87 n ASP 83 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1i87 h ARG 84 N 0.00 0.48 0.00 -1.24 9.65 -1.11 -3.43 114.38 118.73 1i87 h ARG 84 Ca -0.11 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.74 1i87 h ARG 84 Cb 0.95 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.43 1i87 h ARG 84 CO 0.01 0.32 0.00 0.45 2.80 0.00 0.00 179.97 183.55 1i87 n SER 85 N -4.86 0.00 -3.15 -3.80 2.88 -1.02 -5.02 113.62 98.64 1i87 n SER 85 Ca 0.02 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.28 1i87 n SER 85 Cb 0.08 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.49 1i87 n SER 85 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1i87 n LYS 86 N 0.00 3.22 -1.33 -1.46 4.76 -1.26 -4.71 118.16 117.39 1i87 n LYS 86 Ca 0.00 -4.79 0.01 0.00 -2.87 0.00 0.00 58.31 50.65 1i87 n LYS 86 Cb 0.00 -2.27 -0.01 0.00 -1.84 0.00 0.00 35.03 30.92 1i87 n LYS 86 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1i87 n ILE 87 N 0.12 0.00 -0.99 -0.18 -6.64 -1.26 -4.98 119.36 105.43 1i87 n ILE 87 Ca 0.32 -0.69 -0.33 0.00 -1.77 0.00 0.00 62.75 60.28 1i87 n ILE 87 Cb 0.39 0.84 -0.03 0.00 -1.44 0.00 0.00 39.64 39.39 1i87 n ILE 87 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1i87 n ALA 88 N 0.34 4.31 -2.46 -1.28 0.00 -0.81 -4.80 120.51 115.82 1i87 n ALA 88 Ca -0.04 -2.71 -0.16 0.00 0.00 0.00 0.00 53.44 50.53 1i87 n ALA 88 Cb 1.01 -3.31 -0.08 0.00 0.00 0.00 0.00 19.45 17.07 1i87 n ALA 88 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1i87 s LYS 89 N 3.99 1.62 0.55 0.00 3.01 -1.26 -5.02 119.74 122.62 1i87 s LYS 89 Ca 0.48 -1.80 0.29 0.00 -1.01 0.00 0.00 55.97 53.93 1i87 s LYS 89 Cb 0.12 0.35 1.45 0.00 -1.01 0.00 0.00 37.83 38.74 1i87 s LYS 89 CO 0.02 -0.61 1.93 -1.35 0.51 0.00 0.00 175.35 175.86 1i87 h PRO 90 N 2.28 0.00 0.00 -1.68 0.11 -1.93 -3.47 132.00 127.31 1i87 h PRO 90 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1i87 h PRO 90 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1i87 h PRO 90 CO 0.42 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.64 1i87 n SER 91 N -4.20 -1.79 0.00 -2.05 7.64 -1.26 -4.66 113.62 107.30 1i87 n SER 91 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1i87 n SER 91 Cb 0.77 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.97 1i87 n SER 91 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1i87 n GLU 92 N 0.00 0.00 0.08 1.43 -0.58 -1.26 -1.22 120.64 119.09 1i87 n GLU 92 Ca 0.00 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.69 1i87 n GLU 92 Cb 0.00 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 30.78 1i87 n GLU 92 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 1i87 h THR 93 N 0.00 1.53 -0.00 2.62 1.35 -2.01 -3.56 112.91 112.83 1i87 h THR 93 Ca 0.00 -3.17 0.00 0.00 -0.55 0.00 0.00 66.41 62.69 1i87 h THR 93 Cb 0.00 2.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 1i87 h THR 93 CO 0.00 0.87 0.00 -0.11 -0.25 0.00 0.00 175.52 176.03