#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v85 s SER 2 N 0.00 -0.94 -1.64 1.61 0.15 -1.26 -4.94 113.70 106.69 1v85 s SER 2 Ca 0.00 1.43 -0.13 0.00 0.70 0.00 0.00 55.95 57.95 1v85 s SER 2 Cb 0.00 1.61 0.13 0.00 -1.71 0.00 0.00 66.02 66.05 1v85 s SER 2 CO 0.00 -0.22 0.32 -1.54 1.20 0.00 0.00 173.24 173.00 1v85 n SER 3 N 4.56 -0.57 0.10 5.45 3.41 -1.26 -4.51 113.62 120.81 1v85 n SER 3 Ca -0.17 -1.19 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 1v85 n SER 3 Cb 0.56 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.01 1v85 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v85 n GLY 4 N -1.68 -1.06 0.19 5.00 0.00 -1.26 -4.95 105.19 101.44 1v85 n GLY 4 Ca -0.07 0.18 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 1v85 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1v85 h SER 5 N 0.00 -0.44 -2.44 1.61 0.87 -1.92 -3.43 113.55 107.80 1v85 h SER 5 Ca 0.00 0.08 -0.58 0.00 -1.23 0.00 0.00 61.79 60.05 1v85 h SER 5 Cb 0.00 0.20 -0.11 0.00 -0.44 0.00 0.00 62.40 62.05 1v85 h SER 5 CO 0.00 -0.19 -0.68 -0.55 -0.53 0.00 0.00 176.83 174.87 1v85 s SER 6 N -5.04 4.34 -0.08 6.23 0.15 -1.26 -4.95 113.70 113.08 1v85 s SER 6 Ca -0.14 -0.67 -0.13 0.00 0.70 0.00 0.00 55.95 55.70 1v85 s SER 6 Cb 0.10 -0.74 -0.05 0.00 -1.71 0.00 0.00 66.02 63.62 1v85 s SER 6 CO 0.67 0.04 0.33 -0.83 1.20 0.00 0.00 173.24 174.64 1v85 s GLY 7 N -3.40 2.33 -0.18 9.45 0.00 -1.26 -4.74 107.32 109.52 1v85 s GLY 7 Ca 0.29 -0.37 0.13 0.00 0.00 0.00 0.00 44.72 44.77 1v85 s GLY 7 CO 0.18 0.16 1.20 -2.21 0.00 0.00 0.00 173.10 172.43 1v85 n GLU 8 N 2.46 1.44 -3.60 2.90 2.13 -1.26 -4.98 120.64 119.74 1v85 n GLU 8 Ca -0.14 -3.10 -0.22 0.00 0.66 0.00 0.00 57.16 54.36 1v85 n GLU 8 Cb 0.53 -1.51 0.05 0.00 0.27 0.00 0.00 31.44 30.77 1v85 n GLU 8 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1v85 n HIS 9 N -1.09 -2.03 0.00 4.31 8.25 -1.26 -4.75 115.22 118.66 1v85 n HIS 9 Ca 0.18 0.76 0.00 0.00 -0.26 0.00 0.00 57.72 58.40 1v85 n HIS 9 Cb 0.70 -4.17 0.00 0.00 1.12 0.00 0.00 29.99 27.64 1v85 n HIS 9 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1v85 n GLY 10 N -1.51 -2.00 0.31 -1.41 0.00 -1.26 -4.93 105.19 94.40 1v85 n GLY 10 Ca -0.21 0.60 0.14 0.00 0.00 0.00 0.00 46.02 46.55 1v85 n GLY 10 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1v85 h LEU 11 N 0.00 0.00 -0.23 0.99 -0.00 -1.92 -2.99 115.31 111.15 1v85 h LEU 11 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.90 1v85 h LEU 11 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.63 1v85 h LEU 11 CO 0.00 0.00 -0.15 -0.07 -0.00 0.00 0.00 178.44 178.22 1v85 h LEU 12 N 0.00 -0.55 -0.55 0.17 3.38 -1.91 0.37 115.31 116.21 1v85 h LEU 12 Ca 0.00 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.16 1v85 h LEU 12 Cb 0.69 0.24 -0.10 0.00 0.09 0.00 0.00 40.66 41.58 1v85 h LEU 12 CO 0.00 -0.07 -0.11 -0.37 0.09 0.00 0.00 178.44 177.99 1v85 h VAL 13 N -0.02 0.47 0.00 1.22 -1.51 -1.77 -3.03 116.25 111.61 1v85 h VAL 13 Ca 0.04 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.50 1v85 h VAL 13 Cb 0.12 0.45 0.00 0.00 -2.13 0.00 0.00 31.29 29.72 1v85 h VAL 13 CO -0.23 0.00 0.00 1.57 -1.23 0.00 0.00 177.57 177.68 1v85 n HIS 14 N -5.36 0.00 -1.67 5.19 -0.00 -0.18 -4.42 115.22 108.79 1v85 n HIS 14 Ca 0.06 0.00 -0.46 0.00 -0.00 0.00 0.00 57.72 57.32 1v85 n HIS 14 Cb 0.29 -0.26 -0.04 0.00 -0.00 0.00 0.00 29.99 29.99 1v85 n HIS 14 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 1v85 n LYS 15 N -1.67 2.45 -1.50 1.57 4.81 -0.06 -4.87 118.16 118.89 1v85 n LYS 15 Ca 0.00 0.90 -0.46 0.00 -0.87 0.00 0.00 58.31 57.88 1v85 n LYS 15 Cb 0.00 -2.80 -0.02 0.00 0.02 0.00 0.00 35.03 32.23 1v85 n LYS 15 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1v85 n ALA 16 N 7.08 -1.42 0.20 3.14 0.00 -1.26 -4.83 120.51 123.42 1v85 n ALA 16 Ca 0.22 0.40 0.04 0.00 0.00 0.00 0.00 53.44 54.10 1v85 n ALA 16 Cb 0.34 -1.83 0.43 0.00 0.00 0.00 0.00 19.45 18.38 1v85 n ALA 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1v85 h VAL 17 N 1.51 1.16 0.00 0.00 2.07 -1.86 -2.00 116.25 117.13 1v85 h VAL 17 Ca -0.35 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.12 1v85 h VAL 17 Cb 1.39 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1v85 h VAL 17 CO 0.59 0.30 0.00 -0.90 0.02 0.00 0.00 177.57 177.57 1v85 n ASP 18 N -4.09 0.00 -0.26 0.57 5.75 -1.26 -1.01 116.55 116.25 1v85 n ASP 18 Ca -0.02 0.06 0.04 0.00 -0.01 0.00 0.00 54.79 54.86 1v85 n ASP 18 Cb 0.35 -0.23 0.02 0.00 -1.03 0.00 0.00 41.12 40.24 1v85 n ASP 18 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1v85 n LYS 19 N -1.23 1.16 -1.04 0.11 4.01 -0.75 -3.74 118.16 116.68 1v85 n LYS 19 Ca 0.05 -0.77 -0.30 0.00 -0.51 0.00 0.00 58.31 56.78 1v85 n LYS 19 Cb 0.06 -1.09 0.15 0.00 -0.51 0.00 0.00 35.03 33.64 1v85 n LYS 19 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 1v85 s TRP 20 N -0.91 2.12 0.25 2.13 0.52 -0.18 -4.91 118.94 117.95 1v85 s TRP 20 Ca 0.08 1.41 0.10 0.00 0.02 0.00 0.00 56.10 57.71 1v85 s TRP 20 Cb 0.07 -3.16 -0.04 0.00 -1.15 0.00 0.00 33.47 29.18 1v85 s TRP 20 CO 0.15 -2.53 -0.06 0.95 0.02 0.00 0.00 176.95 175.48 1v85 s THR 21 N -2.82 3.22 0.59 2.01 -4.23 -1.26 -2.38 115.64 110.78 1v85 s THR 21 Ca 0.64 -1.96 0.34 0.00 -1.18 0.00 0.00 61.69 59.53 1v85 s THR 21 Cb -0.20 -2.70 0.50 0.00 1.34 0.00 0.00 72.50 71.45 1v85 s THR 21 CO 0.58 -0.33 1.52 0.74 -0.54 0.00 0.00 174.62 176.59 1v85 h THR 22 N 2.11 0.10 0.03 3.99 2.02 -1.87 0.31 112.91 119.60 1v85 h THR 22 Ca -0.44 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.74 1v85 h THR 22 Cb 1.24 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1v85 h THR 22 CO 0.59 0.00 -0.02 -0.08 0.37 0.00 0.00 175.52 176.39 1v85 h GLU 23 N 0.00 -0.04 -0.89 6.66 4.81 -1.94 -3.24 114.58 119.94 1v85 h GLU 23 Ca 0.57 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.82 1v85 h GLU 23 Cb 2.80 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 32.15 1v85 h GLU 23 CO -0.01 0.48 0.59 0.93 -0.73 0.00 0.00 179.01 180.27 1v85 h GLU 24 N -0.97 1.17 -0.72 1.92 5.08 -0.93 -1.49 114.58 118.63 1v85 h GLU 24 Ca -0.00 -0.07 0.13 0.00 -1.00 0.00 0.00 59.36 58.42 1v85 h GLU 24 Cb 0.54 -0.26 -0.09 0.00 0.50 0.00 0.00 28.75 29.44 1v85 h GLU 24 CO 0.01 0.77 0.27 0.28 -1.00 0.00 0.00 179.01 179.34 1v85 h VAL 25 N 1.21 0.67 -0.03 3.13 2.07 -0.80 0.86 116.25 123.35 1v85 h VAL 25 Ca 0.33 -0.14 -0.18 0.00 0.82 0.00 0.00 66.70 67.53 1v85 h VAL 25 Cb -0.14 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 1v85 h VAL 25 CO -0.07 0.08 -0.76 0.58 0.02 0.00 0.00 177.57 177.41 1v85 h VAL 26 N 0.42 1.44 -0.10 2.57 2.07 -1.47 -2.91 116.25 118.27 1v85 h VAL 26 Ca 0.39 -2.34 -0.01 0.00 0.82 0.00 0.00 66.70 65.57 1v85 h VAL 26 Cb 0.58 2.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1v85 h VAL 26 CO -0.39 0.69 0.04 -0.07 0.02 0.00 0.00 177.57 177.85 1v85 h LEU 27 N 0.15 0.15 -0.89 2.57 3.38 -0.06 0.28 115.31 120.88 1v85 h LEU 27 Ca -0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1v85 h LEU 27 Cb 1.34 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.01 1v85 h LEU 27 CO 0.12 0.29 0.48 -0.25 0.09 0.00 0.00 178.44 179.16 1v85 h TRP 28 N -0.00 1.23 0.00 1.13 7.01 -0.96 -2.25 115.95 122.11 1v85 h TRP 28 Ca 0.03 -0.04 -0.13 0.00 2.11 0.00 0.00 58.89 60.87 1v85 h TRP 28 Cb 0.19 -0.39 -0.02 0.00 -2.10 0.00 0.00 29.16 26.84 1v85 h TRP 28 CO -0.01 0.86 -0.60 1.25 -2.79 0.00 0.00 178.44 177.15 1v85 h LEU 29 N 1.25 0.00 0.00 0.65 5.85 -1.35 -2.81 115.31 118.91 1v85 h LEU 29 Ca 0.31 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1v85 h LEU 29 Cb 0.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1v85 h LEU 29 CO -0.05 0.60 0.00 -0.62 -0.34 0.00 0.00 178.44 178.03 1v85 n GLU 30 N -3.66 0.77 -0.05 1.25 1.02 0.97 -2.65 120.64 118.28 1v85 n GLU 30 Ca -0.01 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 1v85 n GLU 30 Cb 0.63 -1.22 -0.10 0.00 -0.02 0.00 0.00 31.44 30.73 1v85 n GLU 30 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1v85 n GLN 31 N -0.72 1.50 0.28 3.49 6.02 -1.06 -4.43 117.38 122.46 1v85 n GLN 31 Ca 0.08 -0.04 0.15 0.00 -0.01 0.00 0.00 57.00 57.19 1v85 n GLN 31 Cb 0.04 -1.33 0.85 0.00 1.02 0.00 0.00 30.24 30.81 1v85 n GLN 31 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1v85 h LEU 32 N 0.00 0.00 0.00 1.08 3.38 -1.57 -3.46 115.31 114.74 1v85 h LEU 32 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1v85 h LEU 32 Cb 1.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.23 1v85 h LEU 32 CO 0.01 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.22 1v85 n GLY 33 N -0.83 1.17 0.26 0.83 0.00 -1.26 -5.00 105.19 100.36 1v85 n GLY 33 Ca -0.02 -0.82 0.15 0.00 0.00 0.00 0.00 46.02 45.33 1v85 n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v85 h PRO 34 N 0.00 0.00 0.00 1.61 0.13 -1.90 -2.60 132.00 129.25 1v85 h PRO 34 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1v85 h PRO 34 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1v85 h PRO 34 CO 0.00 0.08 0.00 -2.67 -0.23 0.00 0.00 178.00 175.18 1v85 n TRP 35 N -3.23 0.75 0.33 1.56 4.27 -1.26 -2.80 117.44 117.06 1v85 n TRP 35 Ca 0.00 0.28 0.21 0.00 -3.89 0.00 0.00 57.50 54.10 1v85 n TRP 35 Cb 0.33 -0.95 1.14 0.00 -1.36 0.00 0.00 31.31 30.47 1v85 n TRP 35 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1v85 h ALA 36 N 2.34 1.10 0.00 -1.67 0.00 -1.72 0.18 119.26 119.49 1v85 h ALA 36 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1v85 h ALA 36 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1v85 h ALA 36 CO 0.00 -0.06 0.00 0.45 0.00 0.00 0.00 179.25 179.64 1v85 n SER 37 N -3.12 0.00 0.06 0.00 2.88 -1.12 -1.23 113.62 111.09 1v85 n SER 37 Ca -0.03 0.23 0.12 0.00 -1.33 0.00 0.00 58.87 57.86 1v85 n SER 37 Cb 0.12 -0.40 0.11 0.00 -0.75 0.00 0.00 64.21 63.29 1v85 n SER 37 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1v85 h LEU 38 N 0.00 0.00 0.00 2.46 3.38 -0.88 -3.37 115.31 116.90 1v85 h LEU 38 Ca 0.00 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 1v85 h LEU 38 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1v85 h LEU 38 CO 0.00 0.11 -1.37 -1.22 0.09 0.00 0.00 178.44 176.05 1v85 n TYR 39 N -2.18 0.00 -0.32 1.13 4.02 -1.09 -4.67 117.16 114.05 1v85 n TYR 39 Ca 0.02 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.06 1v85 n TYR 39 Cb 0.46 -0.23 0.29 0.00 -0.02 0.00 0.00 39.34 39.84 1v85 n TYR 39 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 1v85 n ARG 40 N -1.98 -0.07 -0.27 -0.72 1.85 -0.37 0.16 116.66 115.26 1v85 n ARG 40 Ca -0.06 1.38 0.04 0.00 -1.00 0.00 0.00 57.85 58.22 1v85 n ARG 40 Cb 0.44 -2.21 0.18 0.00 -1.05 0.00 0.00 32.46 29.82 1v85 n ARG 40 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 1v85 h ASP 41 N 0.00 0.44 0.43 2.89 5.19 -1.83 0.24 116.42 123.79 1v85 h ASP 41 Ca 0.58 0.08 -0.04 0.00 -0.62 0.00 0.00 57.03 57.03 1v85 h ASP 41 Cb 1.22 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.74 1v85 h ASP 41 CO -0.86 0.21 -0.20 0.03 -3.12 0.00 0.00 179.24 175.30 1v85 h ARG 42 N 0.58 0.00 0.04 3.56 3.08 0.12 -0.13 114.38 121.63 1v85 h ARG 42 Ca 0.41 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.39 1v85 h ARG 42 Cb 0.53 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.58 1v85 h ARG 42 CO -0.33 0.20 -0.29 0.74 -1.07 0.00 0.00 179.97 179.22 1v85 h PHE 43 N 0.00 0.21 0.40 3.04 -1.00 -0.08 -2.96 116.94 116.55 1v85 h PHE 43 Ca -0.00 -0.14 -0.02 0.00 2.81 0.00 0.00 57.97 60.61 1v85 h PHE 43 Cb 0.48 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.03 1v85 h PHE 43 CO 0.00 1.08 -0.19 -0.07 -1.61 0.00 0.00 178.31 177.52 1v85 h LEU 44 N -0.72 -0.46 -0.62 1.54 -0.00 -0.71 0.51 115.31 114.85 1v85 h LEU 44 Ca -0.05 -0.12 0.13 0.00 -0.00 0.00 0.00 57.88 57.84 1v85 h LEU 44 Cb 1.19 0.12 -0.10 0.00 -0.00 0.00 0.00 40.66 41.87 1v85 h LEU 44 CO 0.05 -0.10 0.08 -1.28 -0.00 0.00 0.00 178.44 177.20 1v85 h SER 45 N -0.86 -0.11 -0.07 -0.43 0.87 -1.19 0.61 113.55 112.37 1v85 h SER 45 Ca -0.06 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1v85 h SER 45 Cb 0.55 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1v85 h SER 45 CO 0.09 -0.05 0.00 -0.62 -0.53 0.00 0.00 176.83 175.72 1v85 n GLU 46 N -5.19 1.38 -3.24 2.24 -0.58 -1.12 -4.84 120.64 109.28 1v85 n GLU 46 Ca 0.10 -0.34 -0.18 0.00 -0.42 0.00 0.00 57.16 56.32 1v85 n GLU 46 Cb 0.35 -1.44 -0.03 0.00 -0.57 0.00 0.00 31.44 29.75 1v85 n GLU 46 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1v85 n ARG 47 N -0.02 -1.95 -1.53 3.49 5.12 0.21 -4.69 116.66 117.28 1v85 n ARG 47 Ca 0.03 0.06 -0.41 0.00 -1.93 0.00 0.00 57.85 55.60 1v85 n ARG 47 Cb 0.28 -4.33 -0.05 0.00 -1.16 0.00 0.00 32.46 27.19 1v85 n ARG 47 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1v85 n VAL 48 N -3.00 0.06 -3.48 1.55 0.31 0.17 -4.79 118.33 109.15 1v85 n VAL 48 Ca 0.05 -0.52 -0.22 0.00 -0.01 0.00 0.00 64.34 63.64 1v85 n VAL 48 Cb 0.45 -2.21 -0.01 0.00 -0.91 0.00 0.00 33.84 31.16 1v85 n VAL 48 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1v85 s ASN 49 N 10.05 6.13 0.03 4.52 4.22 -1.26 -4.14 114.94 134.49 1v85 s ASN 49 Ca 1.06 0.16 -0.05 0.00 -2.14 0.00 0.00 52.86 51.89 1v85 s ASN 49 Cb -0.49 -1.69 -0.01 0.00 1.28 0.00 0.00 41.25 40.34 1v85 s ASN 49 CO 0.36 -0.35 0.80 0.61 -2.04 0.00 0.00 177.10 176.48 1v85 n GLY 50 N -1.71 -2.15 0.34 0.45 0.00 -1.00 0.53 105.19 101.65 1v85 n GLY 50 Ca -0.04 0.52 0.08 0.00 0.00 0.00 0.00 46.02 46.58 1v85 n GLY 50 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1v85 h ARG 51 N 0.00 0.01 -0.15 1.61 1.12 -1.65 0.34 114.38 115.67 1v85 h ARG 51 Ca 0.03 -0.00 0.01 0.00 -1.11 0.00 0.00 59.98 58.91 1v85 h ARG 51 Cb 0.07 -0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.01 1v85 h ARG 51 CO -0.15 0.01 0.07 1.25 -3.11 0.00 0.00 179.97 178.03 1v85 h LEU 52 N 0.01 0.10 -0.81 3.80 7.12 -0.29 -0.91 115.31 124.33 1v85 h LEU 52 Ca 0.49 0.01 0.18 0.00 0.13 0.00 0.00 57.88 58.69 1v85 h LEU 52 Cb 0.86 -0.01 -0.11 0.00 -0.53 0.00 0.00 40.66 40.86 1v85 h LEU 52 CO -0.93 0.08 0.30 0.25 -0.13 0.00 0.00 178.44 178.02 1v85 h LEU 53 N 0.15 0.23 0.01 2.25 5.85 0.19 -1.04 115.31 122.95 1v85 h LEU 53 Ca 0.06 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 1v85 h LEU 53 Cb 0.02 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1v85 h LEU 53 CO -0.05 0.03 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.01 1v85 h LEU 54 N 0.39 -0.01 -1.92 2.25 3.38 -0.92 -2.96 115.31 115.52 1v85 h LEU 54 Ca 0.47 -0.43 0.19 0.00 0.09 0.00 0.00 57.88 58.20 1v85 h LEU 54 Cb 0.81 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1v85 h LEU 54 CO -0.48 0.42 0.58 0.71 0.09 0.00 0.00 178.44 179.77 1v85 h THR 55 N -0.44 0.41 -2.95 0.22 1.35 -0.18 -3.40 112.91 107.92 1v85 h THR 55 Ca -0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 66.41 65.33 1v85 h THR 55 Cb 0.43 0.56 0.03 0.00 -1.73 0.00 0.00 68.15 67.44 1v85 h THR 55 CO 0.00 0.00 0.77 -0.76 -0.25 0.00 0.00 175.52 175.28 1v85 s LEU 56 N -7.78 4.37 0.44 3.87 1.43 -0.49 -4.99 118.68 115.53 1v85 s LEU 56 Ca -0.04 2.39 0.06 0.00 -1.03 0.00 0.00 54.13 55.50 1v85 s LEU 56 Cb 0.18 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.76 1v85 s LEU 56 CO 0.63 -0.70 0.06 0.42 0.23 0.00 0.00 176.35 176.99 1v85 s THR 57 N 1.20 1.86 0.29 5.49 -4.23 -1.26 -4.97 115.64 114.02 1v85 s THR 57 Ca 0.66 -1.92 0.18 0.00 -1.18 0.00 0.00 61.69 59.43 1v85 s THR 57 Cb -0.38 -2.77 0.18 0.00 1.34 0.00 0.00 72.50 70.86 1v85 s THR 57 CO 0.30 0.00 1.49 -0.08 -0.54 0.00 0.00 174.62 175.79 1v85 h GLU 58 N 1.56 0.00 0.00 3.99 4.81 -1.95 -1.74 114.58 121.25 1v85 h GLU 58 Ca -0.43 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.78 1v85 h GLU 58 Cb 1.26 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 1v85 h GLU 58 CO 0.76 0.00 -0.57 -1.91 -0.73 0.00 0.00 179.01 176.57 1v85 n GLU 59 N -2.36 0.46 -0.35 1.92 2.13 -1.26 -3.91 120.64 117.27 1v85 n GLU 59 Ca -0.01 0.53 0.25 0.00 0.66 0.00 0.00 57.16 58.59 1v85 n GLU 59 Cb 0.39 -1.70 0.51 0.00 0.27 0.00 0.00 31.44 30.91 1v85 n GLU 59 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1v85 h GLU 60 N -1.00 0.34 -0.08 5.31 4.39 -1.74 0.93 114.58 122.73 1v85 h GLU 60 Ca -0.03 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 1v85 h GLU 60 Cb 0.57 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1v85 h GLU 60 CO -0.02 0.22 -0.17 0.74 -1.16 0.00 0.00 179.01 178.63 1v85 h PHE 61 N 0.35 0.14 0.00 4.33 0.04 -1.53 -1.18 116.94 119.08 1v85 h PHE 61 Ca 0.66 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.42 1v85 h PHE 61 Cb 1.70 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.81 1v85 h PHE 61 CO -0.00 0.30 0.00 0.45 -0.60 0.00 0.00 178.31 178.45 1v85 n SER 62 N -4.28 0.00 -4.48 2.17 2.88 0.32 -0.96 113.62 109.28 1v85 n SER 62 Ca -0.01 -1.45 -0.31 0.00 -1.33 0.00 0.00 58.87 55.77 1v85 n SER 62 Cb 0.27 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.61 1v85 n SER 62 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1v85 s ARG 63 N -2.00 2.08 0.97 -1.46 1.81 -0.45 -4.55 118.95 115.34 1v85 s ARG 63 Ca 0.17 -0.99 -0.11 0.00 -1.72 0.00 0.00 55.73 53.08 1v85 s ARG 63 Cb 0.08 -2.21 0.17 0.00 -0.45 0.00 0.00 34.95 32.54 1v85 s ARG 63 CO 0.13 0.54 1.09 0.00 -0.68 0.00 0.00 175.30 176.38 1v85 s ALA 64 N -0.97 0.99 -0.26 2.13 0.00 -1.26 -0.23 121.76 122.16 1v85 s ALA 64 Ca 0.16 0.19 0.27 0.00 0.00 0.00 0.00 51.96 52.58 1v85 s ALA 64 Cb -0.11 -3.31 1.14 0.00 0.00 0.00 0.00 23.12 20.84 1v85 s ALA 64 CO 0.06 -2.90 1.82 -1.00 0.00 0.00 0.00 175.76 173.75 1v85 h PRO 65 N -1.95 0.00 -0.45 0.00 0.13 -1.97 -3.42 132.00 124.34 1v85 h PRO 65 Ca -0.50 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.68 1v85 h PRO 65 Cb 1.29 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 1v85 h PRO 65 CO 0.48 0.00 0.18 1.88 -0.23 0.00 0.00 178.00 180.31 1v85 h TYR 66 N 0.00 0.32 -4.88 1.56 0.05 -1.79 -3.44 116.97 108.78 1v85 h TYR 66 Ca 0.00 0.02 -0.28 0.00 0.05 0.00 0.00 58.73 58.52 1v85 h TYR 66 Cb 0.41 -0.07 -0.17 0.00 1.01 0.00 0.00 36.73 37.90 1v85 h TYR 66 CO 0.00 0.13 -0.40 -2.37 -1.05 0.00 0.00 178.16 174.46 1v85 n THR 67 N -4.98 0.00 -1.53 -2.88 5.66 0.68 -4.58 114.28 106.64 1v85 n THR 67 Ca 0.04 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.71 1v85 n THR 67 Cb 0.16 -0.22 -0.10 0.00 -1.55 0.00 0.00 70.33 68.62 1v85 n THR 67 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1v85 n ILE 68 N -2.21 -0.04 0.16 1.09 5.41 -0.13 -4.73 119.36 118.92 1v85 n ILE 68 Ca 0.05 -0.46 0.09 0.00 1.00 0.00 0.00 62.75 63.43 1v85 n ILE 68 Cb 0.24 -1.59 0.08 0.00 -0.71 0.00 0.00 39.64 37.66 1v85 n ILE 68 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1v85 h GLU 69 N 15.12 0.00 -5.45 0.38 5.08 -1.87 -3.42 114.58 124.41 1v85 h GLU 69 Ca -0.11 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.60 1v85 h GLU 69 Cb 1.23 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.33 1v85 h GLU 69 CO 1.27 0.14 1.05 1.21 -1.00 0.00 0.00 179.01 181.67 1v85 s ASN 70 N -6.06 6.54 0.27 1.42 3.84 -1.26 -4.88 114.94 114.81 1v85 s ASN 70 Ca 0.04 -1.74 -0.06 0.00 0.21 0.00 0.00 52.86 51.32 1v85 s ASN 70 Cb 0.07 -2.46 0.49 0.00 -0.55 0.00 0.00 41.25 38.80 1v85 s ASN 70 CO 0.72 -1.26 1.47 -1.20 -2.79 0.00 0.00 177.10 174.05 1v85 n SER 71 N 7.48 -0.29 -0.34 -4.21 7.64 -1.26 0.48 113.62 123.11 1v85 n SER 71 Ca 0.25 1.62 0.12 0.00 1.01 0.00 0.00 58.87 61.87 1v85 n SER 71 Cb 0.49 -0.51 0.25 0.00 -1.01 0.00 0.00 64.21 63.44 1v85 n SER 71 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1v85 n SER 72 N -5.51 -0.18 -0.13 6.43 7.64 -1.26 0.87 113.62 121.47 1v85 n SER 72 Ca 0.16 1.68 -0.04 0.00 1.01 0.00 0.00 58.87 61.68 1v85 n SER 72 Cb 0.52 -0.58 0.04 0.00 -1.01 0.00 0.00 64.21 63.18 1v85 n SER 72 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1v85 h HIS 73 N 0.00 0.22 -0.28 1.43 6.17 -0.38 0.16 115.15 122.46 1v85 h HIS 73 Ca 0.56 0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.64 1v85 h HIS 73 Cb 1.09 -0.03 -0.02 0.00 2.52 0.00 0.00 27.41 30.98 1v85 h HIS 73 CO -0.57 0.06 0.06 0.00 0.71 0.00 0.00 177.93 178.19 1v85 h ARG 74 N 0.28 0.40 -0.30 5.26 3.08 0.46 -1.67 114.38 121.89 1v85 h ARG 74 Ca 0.21 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 60.02 1v85 h ARG 74 Cb 0.23 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 1v85 h ARG 74 CO -0.24 0.38 -0.50 -0.09 -1.07 0.00 0.00 179.97 178.45 1v85 h ARG 75 N 0.40 0.87 0.69 0.04 1.12 0.15 -2.11 114.38 115.53 1v85 h ARG 75 Ca 0.10 -0.54 -0.03 0.00 -1.11 0.00 0.00 59.98 58.40 1v85 h ARG 75 Cb 0.17 0.06 0.01 0.00 -0.01 0.00 0.00 29.97 30.19 1v85 h ARG 75 CO -0.00 1.17 -0.33 0.28 -3.11 0.00 0.00 179.97 177.98 1v85 h VAL 76 N 0.66 0.00 0.21 0.20 2.07 -0.56 -0.85 116.25 117.98 1v85 h VAL 76 Ca 0.02 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1v85 h VAL 76 Cb 1.11 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1v85 h VAL 76 CO 0.11 0.00 -0.48 0.40 0.02 0.00 0.00 177.57 177.63 1v85 h ILE 77 N -1.19 0.07 0.06 4.57 2.04 -1.43 0.11 117.51 121.75 1v85 h ILE 77 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1v85 h ILE 77 Cb 0.71 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1v85 h ILE 77 CO 0.16 0.00 -0.18 -0.07 0.00 0.00 0.00 178.15 178.06 1v85 h LEU 78 N -0.77 -0.53 -0.66 1.44 3.38 -1.48 0.39 115.31 117.08 1v85 h LEU 78 Ca -0.01 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.10 1v85 h LEU 78 Cb 0.75 0.19 -0.11 0.00 0.09 0.00 0.00 40.66 41.59 1v85 h LEU 78 CO -0.22 -0.20 -0.50 0.74 0.09 0.00 0.00 178.44 178.36 1v85 h THR 79 N -0.27 0.04 -0.90 0.22 2.02 -1.10 0.26 112.91 113.17 1v85 h THR 79 Ca -0.01 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 1v85 h THR 79 Cb 0.27 0.04 -0.08 0.00 -1.74 0.00 0.00 68.15 66.63 1v85 h THR 79 CO -0.09 0.00 0.53 -0.33 0.37 0.00 0.00 175.52 176.01 1v85 h GLU 80 N -0.20 0.82 -0.79 6.66 4.39 -0.59 -0.53 114.58 124.34 1v85 h GLU 80 Ca 0.16 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.82 1v85 h GLU 80 Cb 0.54 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.97 1v85 h GLU 80 CO -0.75 0.54 0.52 1.25 -1.16 0.00 0.00 179.01 179.42 1v85 h LEU 81 N 0.84 0.89 -1.66 1.33 5.85 0.31 -1.48 115.31 121.39 1v85 h LEU 81 Ca 0.45 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 59.20 1v85 h LEU 81 Cb 0.47 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1v85 h LEU 81 CO -0.28 0.64 0.30 -0.08 -0.34 0.00 0.00 178.44 178.69 1v85 h GLU 82 N 1.05 0.42 0.11 1.25 4.22 0.67 -1.04 114.58 121.26 1v85 h GLU 82 Ca 0.29 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.70 1v85 h GLU 82 Cb -0.09 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1v85 h GLU 82 CO -0.07 0.28 -0.05 0.00 -2.18 0.00 0.00 179.01 176.99 1v85 h ARG 83 N 0.43 -0.14 -0.85 1.92 3.08 -1.18 -0.60 114.38 117.04 1v85 h ARG 83 Ca 0.19 0.01 0.21 0.00 0.07 0.00 0.00 59.98 60.46 1v85 h ARG 83 Cb 0.22 0.03 -0.15 0.00 0.08 0.00 0.00 29.97 30.15 1v85 h ARG 83 CO -0.05 -0.09 0.04 -0.39 -1.07 0.00 0.00 179.97 178.41 1v85 h VAL 84 N -0.41 0.23 -0.33 2.04 -1.51 -1.43 0.19 116.25 115.03 1v85 h VAL 84 Ca -0.01 -0.03 -0.10 0.00 -1.23 0.00 0.00 66.70 65.32 1v85 h VAL 84 Cb 0.11 0.13 -0.01 0.00 -2.13 0.00 0.00 31.29 29.39 1v85 h VAL 84 CO 0.02 0.02 -0.20 0.08 -1.23 0.00 0.00 177.57 176.26 1v85 h ARG 85 N 0.09 0.71 -4.15 5.19 0.11 -1.31 -3.39 114.38 111.64 1v85 h ARG 85 Ca 0.49 -0.33 -0.74 0.00 0.10 0.00 0.00 59.98 59.50 1v85 h ARG 85 Cb 0.93 -0.01 -0.28 0.00 1.11 0.00 0.00 29.97 31.73 1v85 h ARG 85 CO -0.75 0.94 -0.28 0.45 0.10 0.00 0.00 179.97 180.42 1v85 s SER 86 N -6.46 5.95 0.06 0.08 0.15 0.65 -4.95 113.70 109.18 1v85 s SER 86 Ca -0.12 -2.00 0.08 0.00 0.70 0.00 0.00 55.95 54.61 1v85 s SER 86 Cb 0.09 -2.09 -0.03 0.00 -1.71 0.00 0.00 66.02 62.28 1v85 s SER 86 CO 0.82 -0.72 -0.23 -0.83 1.20 0.00 0.00 173.24 173.48 1v85 s GLY 87 N 2.83 1.25 0.43 9.45 0.00 -1.21 -4.48 107.32 115.59 1v85 s GLY 87 Ca 0.07 -1.18 -0.24 0.00 0.00 0.00 0.00 44.72 43.36 1v85 s GLY 87 CO -0.00 -1.12 1.18 2.56 0.00 0.00 0.00 173.10 175.72 1v85 s PRO 88 N -1.41 3.91 -0.73 2.90 0.04 -1.26 -4.94 135.00 133.51 1v85 s PRO 88 Ca 0.09 1.84 -0.26 0.00 0.04 0.00 0.00 61.00 62.71 1v85 s PRO 88 Cb -0.09 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.89 1v85 s PRO 88 CO 0.03 -0.44 1.59 0.45 0.04 0.00 0.00 177.00 178.66 1v85 s SER 89 N -1.20 5.74 0.48 6.66 0.15 -1.26 -4.98 113.70 119.29 1v85 s SER 89 Ca 0.60 -0.25 -0.11 0.00 0.70 0.00 0.00 55.95 56.89 1v85 s SER 89 Cb -0.30 -2.55 -0.06 0.00 -1.71 0.00 0.00 66.02 61.40 1v85 s SER 89 CO 0.38 -2.10 0.86 -0.44 1.20 0.00 0.00 173.24 173.14 1v85 s SER 90 N 5.98 6.45 0.00 5.45 0.01 -1.26 -5.33 113.70 125.00 1v85 s SER 90 Ca 0.52 1.24 0.00 0.00 1.31 0.00 0.00 55.95 59.02 1v85 s SER 90 Cb -0.09 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1v85 s SER 90 CO 0.14 -0.55 0.00 0.61 0.41 0.00 0.00 173.24 173.85