#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v85 h SER 2 N 0.00 -0.53 -3.63 1.61 0.02 -2.10 -3.38 113.55 105.54 1v85 h SER 2 Ca 0.00 0.29 -0.51 0.00 -0.84 0.00 0.00 61.79 60.72 1v85 h SER 2 Cb 0.00 0.51 0.01 0.00 0.14 0.00 0.00 62.40 63.06 1v85 h SER 2 CO 0.00 -0.37 0.48 -0.44 -1.14 0.00 0.00 176.83 175.37 1v85 s SER 3 N -5.02 7.25 -0.12 3.07 0.01 -1.26 -5.03 113.70 112.59 1v85 s SER 3 Ca -0.13 2.16 -0.06 0.00 1.31 0.00 0.00 55.95 59.23 1v85 s SER 3 Cb 0.29 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.87 1v85 s SER 3 CO 0.78 -0.21 0.12 -0.83 0.41 0.00 0.00 173.24 173.51 1v85 s GLY 4 N -0.33 2.11 -0.17 3.44 0.00 -1.26 -5.02 107.32 106.08 1v85 s GLY 4 Ca 0.48 -0.67 -0.22 0.00 0.00 0.00 0.00 44.72 44.31 1v85 s GLY 4 CO 0.37 -0.37 0.37 1.76 0.00 0.00 0.00 173.10 175.23 1v85 h SER 5 N 5.11 0.00 0.37 1.64 0.02 -1.96 -3.40 113.55 115.33 1v85 h SER 5 Ca -0.53 -0.62 -0.02 0.00 -0.84 0.00 0.00 61.79 59.77 1v85 h SER 5 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1v85 h SER 5 CO 0.59 1.22 -0.18 -1.28 -1.14 0.00 0.00 176.83 176.04 1v85 h SER 6 N -1.00 -0.42 -3.87 3.07 0.87 -2.04 -3.50 113.55 106.66 1v85 h SER 6 Ca -0.19 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1v85 h SER 6 Cb 1.08 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1v85 h SER 6 CO -0.11 0.03 0.00 0.61 -0.53 0.00 0.00 176.83 176.83 1v85 n GLY 7 N 0.24 -2.69 3.50 5.77 0.00 -1.26 -5.10 105.19 105.65 1v85 n GLY 7 Ca -0.08 -1.22 -0.25 0.00 0.00 0.00 0.00 46.02 44.47 1v85 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1v85 s GLU 8 N -5.49 1.85 -0.27 1.61 0.41 -1.26 -5.14 118.70 110.41 1v85 s GLU 8 Ca 0.00 -2.10 -0.03 0.00 -0.41 0.00 0.00 54.97 52.43 1v85 s GLU 8 Cb 0.00 -0.72 0.03 0.00 -1.78 0.00 0.00 34.13 31.66 1v85 s GLU 8 CO 0.00 -0.39 -0.02 -3.38 -0.49 0.00 0.00 175.26 170.98 1v85 s HIS 9 N -3.23 3.12 0.00 1.61 -3.43 -1.26 -4.66 115.29 107.44 1v85 s HIS 9 Ca 0.27 -1.52 0.00 0.00 -0.80 0.00 0.00 55.06 53.01 1v85 s HIS 9 Cb 0.04 -2.11 0.00 0.00 -1.43 0.00 0.00 32.58 29.09 1v85 s HIS 9 CO 0.14 -0.72 0.00 0.41 -2.00 0.00 0.00 174.74 172.57 1v85 n GLY 10 N 4.70 3.88 0.00 -1.38 0.00 -1.26 -4.94 105.19 106.19 1v85 n GLY 10 Ca -0.15 -0.60 0.04 0.00 0.00 0.00 0.00 46.02 45.30 1v85 n GLY 10 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1v85 n LEU 11 N 0.00 0.00 -0.01 0.99 -0.00 -1.26 -3.15 117.00 113.57 1v85 n LEU 11 Ca 0.00 0.49 -0.10 0.00 -0.00 0.00 0.00 56.01 56.40 1v85 n LEU 11 Cb 0.00 -0.49 -0.04 0.00 -0.00 0.00 0.00 43.42 42.89 1v85 n LEU 11 CO 0.00 -0.36 0.66 -0.07 -0.00 0.00 0.00 177.39 177.62 1v85 h LEU 12 N 0.00 -0.95 -0.50 1.47 3.38 -1.87 -0.35 115.31 116.49 1v85 h LEU 12 Ca 0.00 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1v85 h LEU 12 Cb 0.13 0.41 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1v85 h LEU 12 CO 0.00 -0.34 0.33 -0.37 0.09 0.00 0.00 178.44 178.15 1v85 h VAL 13 N -0.37 1.13 -0.82 1.22 -1.51 -1.82 -2.54 116.25 111.54 1v85 h VAL 13 Ca 0.10 -0.24 0.12 0.00 -1.23 0.00 0.00 66.70 65.45 1v85 h VAL 13 Cb 0.53 0.39 -0.08 0.00 -2.13 0.00 0.00 31.29 30.00 1v85 h VAL 13 CO -0.36 0.13 0.44 0.45 -1.23 0.00 0.00 177.57 177.00 1v85 h HIS 14 N 0.68 0.79 -3.13 5.19 3.86 -1.54 -3.40 115.15 117.61 1v85 h HIS 14 Ca 0.18 0.03 -0.60 0.00 -1.16 0.00 0.00 60.37 58.83 1v85 h HIS 14 Cb -0.07 -0.23 -0.07 0.00 1.06 0.00 0.00 27.41 28.10 1v85 h HIS 14 CO -0.04 0.26 -0.20 0.21 0.86 0.00 0.00 177.93 179.01 1v85 s LYS 15 N -6.01 4.07 0.51 2.45 2.20 -0.21 -5.05 119.74 117.70 1v85 s LYS 15 Ca -0.12 0.38 -0.22 0.00 -0.36 0.00 0.00 55.97 55.64 1v85 s LYS 15 Cb 0.20 -3.30 -0.07 0.00 -1.51 0.00 0.00 37.83 33.15 1v85 s LYS 15 CO 0.78 0.50 1.23 0.00 -0.36 0.00 0.00 175.35 177.49 1v85 n ALA 16 N 2.52 1.11 0.06 3.13 0.00 -1.26 -4.81 120.51 121.27 1v85 n ALA 16 Ca -0.12 0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.42 1v85 n ALA 16 Cb 0.52 -2.26 0.13 0.00 0.00 0.00 0.00 19.45 17.84 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 1.44 1.34 0.00 0.00 2.07 -1.85 -2.61 116.25 116.64 1v85 h VAL 17 Ca -0.49 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.25 1v85 h VAL 17 Cb 1.32 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 1v85 h VAL 17 CO 0.57 0.54 0.00 -0.90 0.02 0.00 0.00 177.57 177.79 1v85 n ASP 18 N -3.95 0.00 -0.22 0.57 5.75 -1.26 -1.38 116.55 116.06 1v85 n ASP 18 Ca -0.02 -0.22 0.04 0.00 -0.01 0.00 0.00 54.79 54.58 1v85 n ASP 18 Cb 0.57 -0.11 0.01 0.00 -1.03 0.00 0.00 41.12 40.56 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 -1.11 1.43 -0.87 0.11 4.01 -0.99 -3.96 118.16 116.77 1v85 n LYS 19 Ca 0.09 -0.69 -0.29 0.00 -0.51 0.00 0.00 58.31 56.91 1v85 n LYS 19 Cb 0.07 -1.06 0.23 0.00 -0.51 0.00 0.00 35.03 33.76 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 -0.94 1.07 0.19 2.13 0.52 -0.48 -4.96 118.94 116.46 1v85 s TRP 20 Ca 0.07 0.82 0.07 0.00 0.02 0.00 0.00 56.10 57.09 1v85 s TRP 20 Cb 0.06 -3.22 -0.05 0.00 -1.15 0.00 0.00 33.47 29.12 1v85 s TRP 20 CO 0.15 -3.75 -0.14 0.95 0.02 0.00 0.00 176.95 174.17 1v85 s THR 21 N -2.75 1.64 0.61 2.01 -4.23 -1.26 -3.64 115.64 108.03 1v85 s THR 21 Ca 0.68 -2.13 0.26 0.00 -1.18 0.00 0.00 61.69 59.32 1v85 s THR 21 Cb -0.17 -1.96 0.39 0.00 1.34 0.00 0.00 72.50 72.10 1v85 s THR 21 CO 0.59 -0.58 1.30 0.74 -0.54 0.00 0.00 174.62 176.13 1v85 h THR 22 N 2.72 0.00 0.03 3.99 2.02 -1.88 0.36 112.91 120.15 1v85 h THR 22 Ca -0.38 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 1v85 h THR 22 Cb 1.21 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1v85 h THR 22 CO 0.60 0.00 -0.01 -0.08 0.37 0.00 0.00 175.52 176.40 1v85 h GLU 23 N 0.00 -0.04 -0.82 6.66 4.81 -1.94 -3.23 114.58 120.02 1v85 h GLU 23 Ca 0.49 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.74 1v85 h GLU 23 Cb 2.94 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 32.28 1v85 h GLU 23 CO -0.01 0.09 0.54 0.93 -0.73 0.00 0.00 179.01 179.83 1v85 h GLU 24 N -1.01 1.06 -0.39 1.92 4.39 -0.85 -1.43 114.58 118.26 1v85 h GLU 24 Ca -0.00 -0.06 0.08 0.00 0.34 0.00 0.00 59.36 59.72 1v85 h GLU 24 Cb 0.14 -0.24 -0.09 0.00 -0.10 0.00 0.00 28.75 28.47 1v85 h GLU 24 CO 0.01 0.70 -0.19 0.28 -1.16 0.00 0.00 179.01 178.64 1v85 h VAL 25 N 1.09 0.43 -0.14 3.13 2.07 -0.78 0.11 116.25 122.16 1v85 h VAL 25 Ca 0.31 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.72 1v85 h VAL 25 Cb -0.09 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1v85 h VAL 25 CO -0.08 0.00 -0.39 0.58 0.02 0.00 0.00 177.57 177.71 1v85 h VAL 26 N -0.12 1.30 0.36 2.57 2.07 -1.51 -2.85 116.25 118.07 1v85 h VAL 26 Ca 0.19 -1.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 1v85 h VAL 26 Cb 0.42 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1v85 h VAL 26 CO -0.47 0.45 -0.17 -0.07 0.02 0.00 0.00 177.57 177.33 1v85 h LEU 27 N 0.27 -0.41 -0.97 2.57 3.38 -0.01 0.40 115.31 120.54 1v85 h LEU 27 Ca 0.03 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.04 1v85 h LEU 27 Cb 0.80 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.59 1v85 h LEU 27 CO 0.06 -0.22 0.61 -0.25 0.09 0.00 0.00 178.44 178.74 1v85 h TRP 28 N -0.58 1.13 0.00 1.13 7.01 -0.86 -0.45 115.95 123.34 1v85 h TRP 28 Ca -0.05 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.89 1v85 h TRP 28 Cb 0.43 -0.37 -0.01 0.00 -2.10 0.00 0.00 29.16 27.11 1v85 h TRP 28 CO -0.03 0.54 -0.43 1.25 -2.79 0.00 0.00 178.44 176.98 1v85 h LEU 29 N 1.07 0.00 0.00 0.65 5.85 -1.31 -2.89 115.31 118.68 1v85 h LEU 29 Ca 0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.16 1v85 h LEU 29 Cb 0.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1v85 h LEU 29 CO -0.20 0.43 0.00 -0.62 -0.34 0.00 0.00 178.44 177.71 1v85 n GLU 30 N -3.41 0.96 -0.04 1.25 1.02 0.14 -3.08 120.64 117.47 1v85 n GLU 30 Ca 0.01 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.11 1v85 n GLU 30 Cb 0.60 -1.09 -0.07 0.00 -0.02 0.00 0.00 31.44 30.86 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 -0.59 2.48 0.29 3.49 6.02 -1.09 -4.53 117.38 123.45 1v85 n GLN 31 Ca 0.04 -0.01 0.15 0.00 -0.01 0.00 0.00 57.00 57.17 1v85 n GLN 31 Cb 0.02 -1.22 0.90 0.00 1.02 0.00 0.00 30.24 30.96 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 -1.59 -3.46 115.31 114.73 1v85 h LEU 32 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 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 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1v85 n GLY 33 N -1.34 1.13 0.26 0.83 0.00 -1.26 -5.00 105.19 99.81 1v85 n GLY 33 Ca -0.03 -0.82 0.14 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.89 -2.61 132.00 129.24 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 0.10 0.00 -2.67 -0.23 0.00 0.00 178.00 175.20 1v85 n TRP 35 N -3.26 0.81 0.13 1.56 4.27 -1.26 -2.89 117.44 116.80 1v85 n TRP 35 Ca 0.00 0.31 0.18 0.00 -3.89 0.00 0.00 57.50 54.10 1v85 n TRP 35 Cb 0.34 -1.00 0.76 0.00 -1.36 0.00 0.00 31.31 30.05 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 2.30 2.09 0.00 -1.67 0.00 -1.71 0.30 119.26 120.57 1v85 h ALA 36 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1v85 h ALA 36 Cb 0.40 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1v85 h ALA 36 CO 0.00 -0.45 0.00 0.45 0.00 0.00 0.00 179.25 179.25 1v85 n SER 37 N -4.01 0.00 0.15 0.00 2.88 -1.14 -0.21 113.62 111.29 1v85 n SER 37 Ca 0.05 0.48 0.05 0.00 -1.33 0.00 0.00 58.87 58.12 1v85 n SER 37 Cb 0.45 -0.49 0.06 0.00 -0.75 0.00 0.00 64.21 63.48 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 -0.63 -3.38 115.31 117.14 1v85 h LEU 38 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1v85 h LEU 38 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1v85 h LEU 38 CO 0.00 0.35 -1.49 -1.22 0.09 0.00 0.00 178.44 176.17 1v85 n TYR 39 N -3.16 0.00 -0.24 1.13 4.02 -0.80 -4.66 117.16 113.46 1v85 n TYR 39 Ca 0.02 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.04 1v85 n TYR 39 Cb 0.68 -0.34 0.26 0.00 -0.02 0.00 0.00 39.34 39.91 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 -2.58 -0.05 -0.20 -0.72 1.85 0.71 0.19 116.66 115.86 1v85 n ARG 40 Ca -0.14 1.03 0.00 0.00 -1.00 0.00 0.00 57.85 57.74 1v85 n ARG 40 Cb 0.69 -1.68 0.09 0.00 -1.05 0.00 0.00 32.46 30.51 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 -0.24 -0.56 2.89 5.19 -1.83 0.24 116.42 122.10 1v85 h ASP 41 Ca 0.47 0.14 -0.07 0.00 -0.62 0.00 0.00 57.03 56.95 1v85 h ASP 41 Cb 1.04 0.25 -0.03 0.00 0.18 0.00 0.00 39.33 40.78 1v85 h ASP 41 CO -0.63 -0.10 0.11 0.03 -3.12 0.00 0.00 179.24 175.53 1v85 h ARG 42 N 0.13 0.96 -0.77 3.56 3.08 0.18 -1.32 114.38 120.20 1v85 h ARG 42 Ca 0.31 -0.23 0.04 0.00 0.07 0.00 0.00 59.98 60.17 1v85 h ARG 42 Cb 0.49 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 1v85 h ARG 42 CO -0.50 0.88 0.48 0.74 -1.07 0.00 0.00 179.97 180.50 1v85 h PHE 43 N 0.91 0.90 0.24 3.04 -1.00 -0.55 0.26 116.94 120.74 1v85 h PHE 43 Ca 0.19 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.98 1v85 h PHE 43 Cb 0.38 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 39.65 1v85 h PHE 43 CO 0.02 0.49 -0.12 -0.07 -1.61 0.00 0.00 178.31 177.03 1v85 h LEU 44 N 0.92 -0.28 -0.62 1.54 -0.00 -1.01 0.56 115.31 116.42 1v85 h LEU 44 Ca 0.32 -0.22 0.11 0.00 -0.00 0.00 0.00 57.88 58.09 1v85 h LEU 44 Cb 0.08 0.07 -0.08 0.00 -0.00 0.00 0.00 40.66 40.73 1v85 h LEU 44 CO -0.14 0.23 0.19 -1.28 -0.00 0.00 0.00 178.44 177.44 1v85 h SER 45 N -0.95 0.14 -0.09 -0.43 0.87 -1.17 0.43 113.55 112.35 1v85 h SER 45 Ca -0.03 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1v85 h SER 45 Cb 0.48 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1v85 h SER 45 CO 0.05 0.08 0.00 -0.62 -0.53 0.00 0.00 176.83 175.81 1v85 n GLU 46 N -5.05 1.22 -3.54 2.24 -0.58 0.91 -4.87 120.64 110.97 1v85 n GLU 46 Ca 0.09 -0.34 -0.24 0.00 -0.42 0.00 0.00 57.16 56.26 1v85 n GLU 46 Cb 0.31 -1.11 -0.03 0.00 -0.57 0.00 0.00 31.44 30.04 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 -0.26 -2.31 -1.70 3.49 5.12 0.15 -4.76 116.66 116.40 1v85 n ARG 47 Ca 0.05 0.22 -0.39 0.00 -1.93 0.00 0.00 57.85 55.80 1v85 n ARG 47 Cb 0.09 -4.82 -0.03 0.00 -1.16 0.00 0.00 32.46 26.54 1v85 n ARG 47 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1v85 s VAL 48 N -2.77 3.12 0.68 1.55 1.01 0.19 -4.82 120.40 119.35 1v85 s VAL 48 Ca 0.44 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.49 1v85 s VAL 48 Cb -0.25 -3.24 0.09 0.00 0.00 0.00 0.00 36.38 32.98 1v85 s VAL 48 CO 0.54 -0.21 0.95 0.54 0.00 0.00 0.00 175.10 176.93 1v85 s ASN 49 N 9.92 4.66 0.09 3.32 4.22 -1.26 -4.41 114.94 131.48 1v85 s ASN 49 Ca 0.91 -0.04 -0.25 0.00 -2.14 0.00 0.00 52.86 51.34 1v85 s ASN 49 Cb -0.21 -0.54 -0.10 0.00 1.28 0.00 0.00 41.25 41.69 1v85 s ASN 49 CO 0.28 -1.63 1.42 1.23 -2.04 0.00 0.00 177.10 176.35 1v85 h GLY 50 N -0.43 -1.22 -0.86 0.45 0.00 -1.73 -0.64 103.07 98.65 1v85 h GLY 50 Ca -0.40 0.69 0.08 0.00 0.00 0.00 0.00 47.33 47.70 1v85 h GLY 50 CO 0.48 -0.29 -0.49 -2.13 0.00 0.00 0.00 176.54 174.11 1v85 n ARG 51 N -4.72 -0.36 -0.29 4.80 0.00 -1.25 0.11 116.66 114.95 1v85 n ARG 51 Ca -0.04 1.30 0.02 0.00 -0.00 0.00 0.00 57.85 59.13 1v85 n ARG 51 Cb 0.28 -1.92 0.16 0.00 0.00 0.00 0.00 32.46 30.98 1v85 n ARG 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1v85 h LEU 52 N 0.00 0.70 -1.78 6.15 5.85 -1.83 -0.10 115.31 124.30 1v85 h LEU 52 Ca 0.16 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.99 1v85 h LEU 52 Cb 0.37 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1v85 h LEU 52 CO -0.81 0.42 0.30 0.25 -0.34 0.00 0.00 178.44 178.25 1v85 h LEU 53 N 0.82 0.24 0.01 2.25 5.85 0.23 -0.60 115.31 124.11 1v85 h LEU 53 Ca 0.38 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.97 1v85 h LEU 53 Cb 0.31 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.30 1v85 h LEU 53 CO -0.22 0.15 -0.54 -0.07 -0.34 0.00 0.00 178.44 177.42 1v85 h LEU 54 N 0.27 0.45 -0.40 2.25 3.38 0.75 -3.31 115.31 118.70 1v85 h LEU 54 Ca 0.20 -0.79 0.01 0.00 0.09 0.00 0.00 57.88 57.39 1v85 h LEU 54 Cb 0.43 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1v85 h LEU 54 CO -0.04 1.18 0.25 0.71 0.09 0.00 0.00 178.44 180.64 1v85 h THR 55 N -0.23 1.08 -1.49 0.22 1.35 -0.65 -3.43 112.91 109.77 1v85 h THR 55 Ca -0.07 -0.18 -0.71 0.00 -0.55 0.00 0.00 66.41 64.90 1v85 h THR 55 Cb 1.28 0.52 0.05 0.00 -1.73 0.00 0.00 68.15 68.27 1v85 h THR 55 CO 0.11 0.09 0.33 0.18 -0.25 0.00 0.00 175.52 175.98 1v85 n LEU 56 N -4.83 1.15 -4.90 3.87 4.77 -0.29 -4.96 117.00 111.80 1v85 n LEU 56 Ca 0.01 1.13 -0.22 0.00 -0.03 0.00 0.00 56.01 56.90 1v85 n LEU 56 Cb 0.04 -1.11 -0.02 0.00 -2.33 0.00 0.00 43.42 40.00 1v85 n LEU 56 CO 0.34 -1.31 0.05 0.42 -1.33 0.00 0.00 177.39 175.55 1v85 s THR 57 N 0.32 2.37 -0.25 -5.08 -4.23 -1.26 -4.94 115.64 102.56 1v85 s THR 57 Ca 0.86 -1.34 0.15 0.00 -1.18 0.00 0.00 61.69 60.17 1v85 s THR 57 Cb -1.04 -2.71 0.15 0.00 1.34 0.00 0.00 72.50 70.23 1v85 s THR 57 CO 0.50 0.00 1.41 1.21 -0.54 0.00 0.00 174.62 177.20 1v85 n GLU 58 N -1.67 0.10 -0.09 3.99 2.13 -1.26 -2.05 120.64 121.79 1v85 n GLU 58 Ca 0.04 0.58 -0.11 0.00 0.66 0.00 0.00 57.16 58.33 1v85 n GLU 58 Cb 0.62 -1.93 -0.04 0.00 0.27 0.00 0.00 31.44 30.36 1v85 n GLU 58 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1v85 n GLU 59 N -2.04 0.51 -0.33 5.31 4.07 -1.26 -4.15 120.64 122.75 1v85 n GLU 59 Ca -0.01 0.38 0.21 0.00 -0.06 0.00 0.00 57.16 57.68 1v85 n GLU 59 Cb 0.13 -1.57 0.43 0.00 -0.06 0.00 0.00 31.44 30.37 1v85 n GLU 59 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1v85 h GLU 60 N -1.00 0.38 -0.46 5.31 4.39 -1.84 0.83 114.58 122.20 1v85 h GLU 60 Ca -0.10 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.59 1v85 h GLU 60 Cb 0.89 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.43 1v85 h GLU 60 CO -0.06 0.25 0.31 0.74 -1.16 0.00 0.00 179.01 179.09 1v85 h PHE 61 N 0.39 0.55 -0.07 4.33 0.04 -1.62 0.53 116.94 121.10 1v85 h PHE 61 Ca 0.69 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.47 1v85 h PHE 61 Cb 1.48 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 39.44 1v85 h PHE 61 CO -0.03 0.34 0.00 0.45 -0.60 0.00 0.00 178.31 178.47 1v85 n SER 62 N -4.47 1.18 -4.65 2.17 2.88 0.28 -0.28 113.62 110.73 1v85 n SER 62 Ca 0.04 -1.50 -0.32 0.00 -1.33 0.00 0.00 58.87 55.77 1v85 n SER 62 Cb 0.08 -0.04 -0.09 0.00 -0.75 0.00 0.00 64.21 63.41 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 -1.92 2.59 0.72 -1.46 1.81 0.18 -4.18 118.95 116.69 1v85 s ARG 63 Ca 0.36 -0.74 -0.16 0.00 -1.72 0.00 0.00 55.73 53.47 1v85 s ARG 63 Cb 0.19 -2.55 -0.03 0.00 -0.45 0.00 0.00 34.95 32.11 1v85 s ARG 63 CO 0.30 0.58 0.66 0.00 -0.68 0.00 0.00 175.30 176.16 1v85 n ALA 64 N 1.15 -1.12 -0.06 2.13 0.00 -1.26 -0.51 120.51 120.85 1v85 n ALA 64 Ca -0.14 -0.22 -0.13 0.00 0.00 0.00 0.00 53.44 52.96 1v85 n ALA 64 Cb 0.52 -1.93 -0.07 0.00 0.00 0.00 0.00 19.45 17.97 1v85 n ALA 64 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1v85 h PRO 65 N -0.31 0.39 -0.76 0.00 0.13 -1.96 -3.42 132.00 126.06 1v85 h PRO 65 Ca -0.46 -0.21 0.25 0.00 -0.87 0.00 0.00 66.00 64.71 1v85 h PRO 65 Cb 1.35 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.34 1v85 h PRO 65 CO 0.44 0.76 0.16 0.66 -0.23 0.00 0.00 178.00 179.79 1v85 n TYR 66 N -4.53 0.63 -2.91 1.56 4.01 -1.20 -4.64 117.16 110.09 1v85 n TYR 66 Ca -0.06 0.91 -0.19 0.00 -0.16 0.00 0.00 57.90 58.40 1v85 n TYR 66 Cb 0.37 -1.16 -0.04 0.00 -0.31 0.00 0.00 39.34 38.21 1v85 n TYR 66 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1v85 n THR 67 N -4.94 0.00 -1.52 -0.72 5.66 0.34 -4.54 114.28 108.57 1v85 n THR 67 Ca 0.22 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.98 1v85 n THR 67 Cb 0.73 -0.22 -0.17 0.00 -1.55 0.00 0.00 70.33 69.12 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 -2.37 -0.00 -0.65 1.09 5.41 0.62 -4.71 119.36 118.74 1v85 n ILE 68 Ca 0.05 -0.44 -0.04 0.00 1.00 0.00 0.00 62.75 63.31 1v85 n ILE 68 Cb 0.29 -0.66 -0.03 0.00 -0.71 0.00 0.00 39.64 38.53 1v85 n ILE 68 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1v85 n GLU 69 N 6.86 1.29 -3.32 0.38 1.02 -1.26 -4.40 120.64 121.20 1v85 n GLU 69 Ca 0.61 -0.39 -0.08 0.00 -0.02 0.00 0.00 57.16 57.29 1v85 n GLU 69 Cb 0.21 -1.26 -0.07 0.00 -0.02 0.00 0.00 31.44 30.30 1v85 n GLU 69 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1v85 s ASN 70 N 1.78 0.08 0.06 1.62 3.04 -1.26 -5.05 114.94 115.21 1v85 s ASN 70 Ca 0.16 0.15 -0.36 0.00 0.04 0.00 0.00 52.86 52.85 1v85 s ASN 70 Cb 0.09 1.24 -0.20 0.00 -1.54 0.00 0.00 41.25 40.83 1v85 s ASN 70 CO -0.01 -0.31 1.59 0.28 -3.04 0.00 0.00 177.10 175.62 1v85 h SER 71 N 8.16 -1.02 -0.89 -4.21 0.02 -2.01 -2.64 113.55 110.97 1v85 h SER 71 Ca -0.17 0.04 0.35 0.00 -0.84 0.00 0.00 61.79 61.16 1v85 h SER 71 Cb 1.15 0.26 -0.13 0.00 0.14 0.00 0.00 62.40 63.82 1v85 h SER 71 CO 0.27 -0.72 0.52 -1.20 -1.14 0.00 0.00 176.83 174.56 1v85 n SER 72 N -5.60 0.23 -0.05 3.07 7.64 -1.26 0.21 113.62 117.86 1v85 n SER 72 Ca -0.16 1.22 -0.12 0.00 1.01 0.00 0.00 58.87 60.82 1v85 n SER 72 Cb 0.47 -0.60 -0.07 0.00 -1.01 0.00 0.00 64.21 63.01 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 0.33 -0.83 1.43 6.17 -1.90 -2.73 115.15 117.62 1v85 h HIS 73 Ca 0.67 -0.08 0.02 0.00 0.71 0.00 0.00 60.37 61.69 1v85 h HIS 73 Cb 1.93 -0.08 -0.04 0.00 2.52 0.00 0.00 27.41 31.74 1v85 h HIS 73 CO -0.01 0.61 0.54 0.00 0.71 0.00 0.00 177.93 179.79 1v85 h ARG 74 N -0.06 1.06 -0.11 5.26 3.08 0.27 -2.13 114.38 121.75 1v85 h ARG 74 Ca 0.03 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1v85 h ARG 74 Cb 0.53 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1v85 h ARG 74 CO 0.02 0.70 -0.00 -0.09 -1.07 0.00 0.00 179.97 179.53 1v85 h ARG 75 N 1.09 0.03 -0.49 0.04 1.12 -1.12 0.14 114.38 115.20 1v85 h ARG 75 Ca 0.31 -0.00 0.05 0.00 -1.11 0.00 0.00 59.98 59.23 1v85 h ARG 75 Cb -0.08 -0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 29.83 1v85 h ARG 75 CO -0.08 0.02 0.24 0.28 -3.11 0.00 0.00 179.97 177.31 1v85 h VAL 76 N 0.03 0.94 0.70 0.20 2.07 -1.16 0.22 116.25 119.25 1v85 h VAL 76 Ca 0.05 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1v85 h VAL 76 Cb 0.07 0.44 0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1v85 h VAL 76 CO -0.09 0.08 -0.34 0.40 0.02 0.00 0.00 177.57 177.64 1v85 h ILE 77 N 0.46 0.00 0.21 4.57 2.04 -1.06 -1.03 117.51 122.71 1v85 h ILE 77 Ca 0.22 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1v85 h ILE 77 Cb 0.14 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.19 1v85 h ILE 77 CO -0.17 0.00 -0.49 -0.07 0.00 0.00 0.00 178.15 177.42 1v85 h LEU 78 N -1.14 -1.45 -0.26 1.44 3.38 -0.67 0.38 115.31 116.99 1v85 h LEU 78 Ca -0.10 0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.07 1v85 h LEU 78 Cb 0.72 0.52 -0.08 0.00 0.09 0.00 0.00 40.66 41.92 1v85 h LEU 78 CO 0.16 -0.55 -0.48 0.74 0.09 0.00 0.00 178.44 178.39 1v85 h THR 79 N -0.77 0.07 -0.98 0.22 2.02 -0.66 0.20 112.91 113.00 1v85 h THR 79 Ca -0.02 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.27 1v85 h THR 79 Cb 0.74 0.07 -0.08 0.00 -1.74 0.00 0.00 68.15 67.14 1v85 h THR 79 CO -0.22 0.00 0.62 -0.33 0.37 0.00 0.00 175.52 175.97 1v85 h GLU 80 N -0.46 0.95 -0.45 6.66 4.39 -0.96 -0.17 114.58 124.53 1v85 h GLU 80 Ca 0.08 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1v85 h GLU 80 Cb 0.63 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1v85 h GLU 80 CO -0.49 0.63 0.24 1.25 -1.16 0.00 0.00 179.01 179.47 1v85 h LEU 81 N 0.97 0.55 -1.64 1.33 5.85 0.16 -1.51 115.31 121.03 1v85 h LEU 81 Ca 0.47 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 59.14 1v85 h LEU 81 Cb 0.46 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1v85 h LEU 81 CO -0.24 0.45 0.02 -0.08 -0.34 0.00 0.00 178.44 178.26 1v85 h GLU 82 N 0.63 0.24 0.07 1.25 4.57 0.67 0.17 114.58 122.19 1v85 h GLU 82 Ca 0.16 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1v85 h GLU 82 Cb 0.03 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 1v85 h GLU 82 CO -0.03 0.25 -0.03 0.00 -1.18 0.00 0.00 179.01 178.02 1v85 h ARG 83 N 0.24 -0.09 -0.58 1.92 3.08 -1.21 -3.32 114.38 114.42 1v85 h ARG 83 Ca 0.06 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1v85 h ARG 83 Cb 0.14 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1v85 h ARG 83 CO 0.00 0.43 0.36 -0.39 -1.07 0.00 0.00 179.97 179.30 1v85 h VAL 84 N -0.92 1.16 -3.58 2.04 -1.51 -1.32 -3.44 116.25 108.69 1v85 h VAL 84 Ca -0.01 -0.35 -0.26 0.00 -1.23 0.00 0.00 66.70 64.85 1v85 h VAL 84 Cb 0.57 0.34 0.09 0.00 -2.13 0.00 0.00 31.29 30.15 1v85 h VAL 84 CO 0.02 0.17 0.19 -2.11 -1.23 0.00 0.00 177.57 174.60 1v85 n ARG 85 N -4.42 -0.45 -0.90 5.19 1.85 0.59 -4.62 116.66 113.90 1v85 n ARG 85 Ca 0.06 -1.33 -0.30 0.00 -1.00 0.00 0.00 57.85 55.27 1v85 n ARG 85 Cb 0.07 -0.67 0.15 0.00 -1.05 0.00 0.00 32.46 30.97 1v85 n ARG 85 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1v85 s SER 86 N -3.69 3.18 0.00 2.89 0.15 -1.26 -4.54 113.70 110.43 1v85 s SER 86 Ca 0.42 1.91 0.00 0.00 0.70 0.00 0.00 55.95 58.98 1v85 s SER 86 Cb -0.01 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 1v85 s SER 86 CO 0.29 -2.89 0.00 0.61 1.20 0.00 0.00 173.24 172.45 1v85 n GLY 87 N -0.29 1.91 0.00 9.45 0.00 -1.26 -4.77 105.19 110.23 1v85 n GLY 87 Ca 0.09 -0.71 0.08 0.00 0.00 0.00 0.00 46.02 45.48 1v85 n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v85 n PRO 88 N 0.00 0.48 -1.25 1.61 -0.04 -1.26 -4.87 135.00 129.67 1v85 n PRO 88 Ca 0.00 0.01 -0.49 0.00 -0.04 0.00 0.00 63.50 62.98 1v85 n PRO 88 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 1v85 n PRO 88 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1v85 n SER 89 N -1.01 0.73 -3.61 3.54 7.64 -1.26 -4.92 113.62 114.73 1v85 n SER 89 Ca 0.12 0.87 -0.14 0.00 1.01 0.00 0.00 58.87 60.73 1v85 n SER 89 Cb 0.06 -0.65 -0.07 0.00 -1.01 0.00 0.00 64.21 62.54 1v85 n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1v85 s SER 90 N 1.82 -0.67 0.00 6.43 0.15 -1.26 -5.19 113.70 114.98 1v85 s SER 90 Ca 0.75 1.20 0.00 0.00 0.70 0.00 0.00 55.95 58.60 1v85 s SER 90 Cb -1.07 1.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1v85 s SER 90 CO 0.57 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.33