#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v85 n SER 2 N 0.00 6.70 -4.43 1.61 3.41 -1.26 -4.88 113.62 114.77 1v85 n SER 2 Ca 0.00 -3.23 -0.44 0.00 -0.26 0.00 0.00 58.87 54.94 1v85 n SER 2 Cb 0.00 -1.08 -0.06 0.00 -0.26 0.00 0.00 64.21 62.81 1v85 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1v85 s SER 3 N -0.14 6.21 0.00 4.04 0.01 -1.26 -5.00 113.70 117.56 1v85 s SER 3 Ca 0.42 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.68 1v85 s SER 3 Cb 0.32 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 64.27 1v85 s SER 3 CO -0.06 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.32 1v85 n GLY 4 N 5.18 0.69 3.43 3.44 0.00 -1.26 -4.60 105.19 112.07 1v85 n GLY 4 Ca -0.07 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 1v85 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1v85 s SER 5 N -3.62 0.32 -0.44 1.61 1.04 -1.26 -4.85 113.70 106.50 1v85 s SER 5 Ca 0.00 1.29 -0.28 0.00 0.48 0.00 0.00 55.95 57.44 1v85 s SER 5 Cb 0.00 -1.97 -0.02 0.00 0.10 0.00 0.00 66.02 64.13 1v85 s SER 5 CO 0.00 -4.58 1.83 -0.44 0.98 0.00 0.00 173.24 171.03 1v85 s SER 6 N -2.71 5.62 0.00 7.02 0.01 -1.26 -4.88 113.70 117.50 1v85 s SER 6 Ca 0.69 0.91 0.00 0.00 1.31 0.00 0.00 55.95 58.86 1v85 s SER 6 Cb -0.22 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.49 1v85 s SER 6 CO 0.63 -1.99 0.00 0.61 0.41 0.00 0.00 173.24 172.90 1v85 n GLY 7 N 5.53 1.80 3.07 3.44 0.00 -1.26 -5.04 105.19 112.72 1v85 n GLY 7 Ca 0.22 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 1v85 n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1v85 s GLU 8 N -1.34 0.92 -1.06 1.61 2.12 -1.26 -5.00 118.70 114.69 1v85 s GLU 8 Ca 0.00 -0.45 -0.18 0.00 0.36 0.00 0.00 54.97 54.70 1v85 s GLU 8 Cb 0.00 -0.89 0.12 0.00 0.26 0.00 0.00 34.13 33.63 1v85 s GLU 8 CO 0.00 0.24 1.32 -3.38 -0.54 0.00 0.00 175.26 172.90 1v85 s HIS 9 N -0.35 3.10 0.00 5.30 -3.43 -1.26 -3.98 115.29 114.67 1v85 s HIS 9 Ca 0.04 -1.54 0.00 0.00 -0.80 0.00 0.00 55.06 52.76 1v85 s HIS 9 Cb -0.05 -4.40 0.00 0.00 -1.43 0.00 0.00 32.58 26.70 1v85 s HIS 9 CO -0.00 -1.56 0.00 0.41 -2.00 0.00 0.00 174.74 171.58 1v85 n GLY 10 N 5.31 0.74 0.00 -1.38 0.00 -1.26 -4.95 105.19 103.66 1v85 n GLY 10 Ca 0.31 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.12 0.99 -0.00 -1.26 -3.68 117.00 112.93 1v85 n LEU 11 Ca 0.00 0.34 -0.14 0.00 -0.00 0.00 0.00 56.01 56.21 1v85 n LEU 11 Cb 0.00 -0.34 -0.10 0.00 -0.00 0.00 0.00 43.42 42.98 1v85 n LEU 11 CO 0.00 -0.17 0.50 -0.07 -0.00 0.00 0.00 177.39 177.66 1v85 h LEU 12 N 0.00 -1.83 -0.26 1.47 -0.00 -1.88 0.12 115.31 112.93 1v85 h LEU 12 Ca 0.00 0.24 -0.02 0.00 -0.00 0.00 0.00 57.88 58.10 1v85 h LEU 12 Cb 0.18 0.75 -0.01 0.00 -0.00 0.00 0.00 40.66 41.57 1v85 h LEU 12 CO 0.00 -0.41 0.08 -0.37 -0.00 0.00 0.00 178.44 177.74 1v85 h VAL 13 N -0.42 1.19 -0.97 1.22 -1.51 -1.84 -2.60 116.25 111.33 1v85 h VAL 13 Ca 0.07 -0.62 0.27 0.00 -1.23 0.00 0.00 66.70 65.20 1v85 h VAL 13 Cb 0.61 1.11 -0.05 0.00 -2.13 0.00 0.00 31.29 30.83 1v85 h VAL 13 CO -0.58 0.20 0.68 0.45 -1.23 0.00 0.00 177.57 177.10 1v85 h HIS 14 N 0.26 0.17 -3.57 5.19 3.86 -1.54 -3.37 115.15 116.14 1v85 h HIS 14 Ca 0.08 0.01 -0.63 0.00 -1.16 0.00 0.00 60.37 58.67 1v85 h HIS 14 Cb 0.23 -0.05 -0.17 0.00 1.06 0.00 0.00 27.41 28.48 1v85 h HIS 14 CO 0.00 0.03 -0.55 0.21 0.86 0.00 0.00 177.93 178.48 1v85 s LYS 15 N -5.10 3.92 0.19 2.45 2.20 0.33 -5.05 119.74 118.68 1v85 s LYS 15 Ca -0.06 -0.35 -0.31 0.00 -0.36 0.00 0.00 55.97 54.89 1v85 s LYS 15 Cb 0.22 -3.42 -0.16 0.00 -1.51 0.00 0.00 37.83 32.96 1v85 s LYS 15 CO 0.78 0.02 0.95 0.00 -0.36 0.00 0.00 175.35 176.74 1v85 n ALA 16 N 4.37 -1.43 0.25 3.13 0.00 -1.26 -4.83 120.51 120.73 1v85 n ALA 16 Ca -0.16 0.45 0.12 0.00 0.00 0.00 0.00 53.44 53.86 1v85 n ALA 16 Cb 0.52 -1.90 0.64 0.00 0.00 0.00 0.00 19.45 18.71 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 2.10 0.49 0.00 0.00 2.07 -1.84 -1.89 116.25 117.17 1v85 h VAL 17 Ca -0.39 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1v85 h VAL 17 Cb 1.37 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1v85 h VAL 17 CO 0.64 0.14 0.00 0.47 0.02 0.00 0.00 177.57 178.84 1v85 n ASP 18 N -3.47 0.00 -0.15 0.57 9.92 -1.26 -2.58 116.55 119.58 1v85 n ASP 18 Ca -0.01 -0.91 0.03 0.00 -0.53 0.00 0.00 54.79 53.37 1v85 n ASP 18 Cb 0.31 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.80 1v85 n ASP 18 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1v85 n LYS 19 N -0.98 1.51 -0.80 -1.24 4.01 -0.71 -3.74 118.16 116.21 1v85 n LYS 19 Ca 0.20 -0.56 -0.29 0.00 -0.51 0.00 0.00 58.31 57.15 1v85 n LYS 19 Cb 0.09 -0.98 0.22 0.00 -0.51 0.00 0.00 35.03 33.84 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 -0.75 1.66 0.29 2.13 0.52 -1.07 -4.94 118.94 116.78 1v85 s TRP 20 Ca 0.05 1.16 0.10 0.00 0.02 0.00 0.00 56.10 57.43 1v85 s TRP 20 Cb 0.04 -3.17 -0.05 0.00 -1.15 0.00 0.00 33.47 29.14 1v85 s TRP 20 CO 0.11 -3.42 -0.14 0.95 0.02 0.00 0.00 176.95 174.46 1v85 s THR 21 N -2.66 2.19 0.62 2.01 -4.23 -1.26 -3.34 115.64 108.96 1v85 s THR 21 Ca 0.67 -2.28 0.20 0.00 -1.18 0.00 0.00 61.69 59.10 1v85 s THR 21 Cb -0.22 -2.38 0.28 0.00 1.34 0.00 0.00 72.50 71.52 1v85 s THR 21 CO 0.61 -0.36 1.36 0.74 -0.54 0.00 0.00 174.62 176.44 1v85 h THR 22 N 2.24 0.05 0.00 3.99 2.02 -1.87 0.19 112.91 119.53 1v85 h THR 22 Ca -0.40 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1v85 h THR 22 Cb 1.25 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1v85 h THR 22 CO 0.64 0.00 -0.07 -0.08 0.37 0.00 0.00 175.52 176.38 1v85 h GLU 23 N 0.00 0.00 -1.01 6.66 4.81 -1.94 -3.28 114.58 119.83 1v85 h GLU 23 Ca 0.29 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.63 1v85 h GLU 23 Cb 2.26 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 31.56 1v85 h GLU 23 CO -0.00 0.00 0.64 0.93 -0.73 0.00 0.00 179.01 179.84 1v85 h GLU 24 N -0.85 1.01 -0.63 1.92 4.39 -1.36 -0.46 114.58 118.60 1v85 h GLU 24 Ca 0.00 -0.06 0.11 0.00 0.34 0.00 0.00 59.36 59.75 1v85 h GLU 24 Cb 0.07 -0.23 -0.08 0.00 -0.10 0.00 0.00 28.75 28.41 1v85 h GLU 24 CO 0.00 0.67 0.19 0.28 -1.16 0.00 0.00 179.01 178.98 1v85 h VAL 25 N 1.04 0.68 -0.01 3.13 2.07 -0.90 0.18 116.25 122.45 1v85 h VAL 25 Ca 0.49 -0.12 -0.20 0.00 0.82 0.00 0.00 66.70 67.69 1v85 h VAL 25 Cb 0.42 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1v85 h VAL 25 CO -0.25 0.06 -0.87 0.58 0.02 0.00 0.00 177.57 177.12 1v85 h VAL 26 N 0.34 1.45 -0.07 2.57 2.07 -1.37 -2.94 116.25 118.30 1v85 h VAL 26 Ca 0.33 -2.49 -0.00 0.00 0.82 0.00 0.00 66.70 65.35 1v85 h VAL 26 Cb 0.47 2.40 -0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1v85 h VAL 26 CO -0.37 0.73 0.03 -0.07 0.02 0.00 0.00 177.57 177.91 1v85 h LEU 27 N 0.16 0.09 -0.96 2.57 3.38 0.04 0.32 115.31 120.91 1v85 h LEU 27 Ca -0.05 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1v85 h LEU 27 Cb 1.49 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.17 1v85 h LEU 27 CO 0.14 0.21 0.45 -0.25 0.09 0.00 0.00 178.44 179.08 1v85 h TRP 28 N -0.04 1.17 0.00 1.13 7.01 -0.76 -1.98 115.95 122.47 1v85 h TRP 28 Ca 0.02 -0.03 -0.07 0.00 2.11 0.00 0.00 58.89 60.91 1v85 h TRP 28 Cb 0.15 -0.37 -0.01 0.00 -2.10 0.00 0.00 29.16 26.83 1v85 h TRP 28 CO -0.02 0.82 -0.36 1.25 -2.79 0.00 0.00 178.44 177.34 1v85 h LEU 29 N 1.18 0.00 0.00 0.65 5.85 -1.33 -2.91 115.31 118.76 1v85 h LEU 29 Ca 0.30 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.02 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 0.36 0.00 -0.62 -0.34 0.00 0.00 178.44 177.79 1v85 n GLU 30 N -3.34 0.94 -0.04 1.25 1.02 0.11 -2.97 120.64 117.61 1v85 n GLU 30 Ca 0.01 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.13 1v85 n GLU 30 Cb 0.57 -1.20 -0.10 0.00 -0.02 0.00 0.00 31.44 30.69 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 -0.70 1.51 0.26 3.49 6.02 -1.10 -4.47 117.38 122.39 1v85 n GLN 31 Ca 0.09 -0.04 0.11 0.00 -0.01 0.00 0.00 57.00 57.15 1v85 n GLN 31 Cb 0.04 -1.31 0.71 0.00 1.02 0.00 0.00 30.24 30.70 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 -1.61 -3.46 115.31 114.70 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 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1v85 h LEU 32 CO 0.01 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.25 1v85 n GLY 33 N -1.00 1.00 0.28 0.83 0.00 -1.26 -5.00 105.19 100.04 1v85 n GLY 33 Ca -0.02 -0.77 0.18 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.57 132.00 129.28 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 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.10 1v85 n TRP 35 N -3.09 0.64 0.17 1.56 4.27 -1.26 -3.01 117.44 116.71 1v85 n TRP 35 Ca 0.00 0.23 0.16 0.00 -3.89 0.00 0.00 57.50 54.01 1v85 n TRP 35 Cb 0.29 -0.87 0.76 0.00 -1.36 0.00 0.00 31.31 30.13 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 2.42 2.01 0.00 -1.67 0.00 -1.71 0.20 119.26 120.50 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 0.44 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1v85 h ALA 36 CO 0.00 -0.32 0.00 0.45 0.00 0.00 0.00 179.25 179.38 1v85 n SER 37 N -4.09 0.67 0.06 0.00 2.88 -1.17 0.03 113.62 112.00 1v85 n SER 37 Ca 0.03 0.69 0.13 0.00 -1.33 0.00 0.00 58.87 58.38 1v85 n SER 37 Cb 0.34 -0.82 0.36 0.00 -0.75 0.00 0.00 64.21 63.35 1v85 n SER 37 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1v85 n LEU 38 N -2.26 0.57 -0.01 2.46 4.77 0.69 -4.03 117.00 119.19 1v85 n LEU 38 Ca 0.02 0.39 -0.01 0.00 -0.03 0.00 0.00 56.01 56.37 1v85 n LEU 38 Cb 0.20 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 1v85 n LEU 38 CO 0.18 -0.07 -0.56 -1.22 -1.33 0.00 0.00 177.39 174.39 1v85 n TYR 39 N -1.96 0.00 -0.33 -1.77 4.02 -0.66 -4.71 117.16 111.75 1v85 n TYR 39 Ca 0.05 0.00 0.18 0.00 -0.01 0.00 0.00 57.90 58.13 1v85 n TYR 39 Cb 0.40 -0.09 0.36 0.00 -0.02 0.00 0.00 39.34 39.99 1v85 n TYR 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 1v85 h ARG 40 N 0.00 0.02 -0.98 -0.72 0.11 -0.54 1.12 114.38 113.38 1v85 h ARG 40 Ca -0.05 -0.00 0.18 0.00 0.10 0.00 0.00 59.98 60.20 1v85 h ARG 40 Cb 1.11 -0.00 -0.10 0.00 1.11 0.00 0.00 29.97 32.09 1v85 h ARG 40 CO 0.00 0.01 0.59 -0.44 0.10 0.00 0.00 179.97 180.24 1v85 h ASP 41 N 0.02 0.77 0.94 0.08 5.19 -1.84 0.41 116.42 121.99 1v85 h ASP 41 Ca 0.65 0.09 -0.06 0.00 -0.62 0.00 0.00 57.03 57.10 1v85 h ASP 41 Cb 1.45 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.90 1v85 h ASP 41 CO -0.87 0.30 -0.27 0.03 -3.12 0.00 0.00 179.24 175.30 1v85 h ARG 42 N 0.78 0.00 0.04 3.56 3.08 0.97 -1.64 114.38 121.17 1v85 h ARG 42 Ca 0.55 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.37 1v85 h ARG 42 Cb 0.81 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.88 1v85 h ARG 42 CO -0.37 0.27 -0.94 0.74 -1.07 0.00 0.00 179.97 178.61 1v85 h PHE 43 N 0.00 0.86 0.17 3.04 -1.00 0.23 -2.73 116.94 117.52 1v85 h PHE 43 Ca -0.00 -0.50 -0.01 0.00 2.81 0.00 0.00 57.97 60.27 1v85 h PHE 43 Cb 0.82 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 40.29 1v85 h PHE 43 CO 0.00 1.34 -0.08 -0.07 -1.61 0.00 0.00 178.31 177.89 1v85 h LEU 44 N 0.14 -0.20 -0.72 1.54 -0.00 -1.04 0.36 115.31 115.40 1v85 h LEU 44 Ca -0.13 -0.33 0.13 0.00 -0.00 0.00 0.00 57.88 57.54 1v85 h LEU 44 Cb 1.63 0.05 -0.09 0.00 -0.00 0.00 0.00 40.66 42.25 1v85 h LEU 44 CO 0.18 0.34 0.30 -1.28 -0.00 0.00 0.00 178.44 177.98 1v85 h SER 45 N -0.86 0.30 -0.19 -0.43 0.87 -1.45 0.48 113.55 112.26 1v85 h SER 45 Ca -0.02 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1v85 h SER 45 Cb 0.52 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1v85 h SER 45 CO 0.04 0.14 0.00 -0.62 -0.53 0.00 0.00 176.83 175.85 1v85 n GLU 46 N -4.98 1.59 -3.38 2.24 -0.58 -1.03 -4.87 120.64 109.63 1v85 n GLU 46 Ca 0.13 -0.75 -0.19 0.00 -0.42 0.00 0.00 57.16 55.93 1v85 n GLU 46 Cb 0.37 -1.27 -0.03 0.00 -0.57 0.00 0.00 31.44 29.94 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 0.10 -2.06 -1.58 3.49 5.12 0.17 -4.73 116.66 117.17 1v85 n ARG 47 Ca 0.07 0.08 -0.39 0.00 -1.93 0.00 0.00 57.85 55.68 1v85 n ARG 47 Cb 0.24 -4.62 -0.03 0.00 -1.16 0.00 0.00 32.46 26.88 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 -2.56 3.01 0.71 1.55 1.01 0.12 -4.81 120.40 119.44 1v85 s VAL 48 Ca 0.36 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.32 1v85 s VAL 48 Cb -0.21 -3.02 0.11 0.00 0.00 0.00 0.00 36.38 33.25 1v85 s VAL 48 CO 0.45 -0.02 0.99 0.54 0.00 0.00 0.00 175.10 177.06 1v85 s ASN 49 N 10.72 4.45 0.09 3.32 2.20 -1.26 -4.44 114.94 130.02 1v85 s ASN 49 Ca 0.98 -0.09 -0.33 0.00 -0.94 0.00 0.00 52.86 52.48 1v85 s ASN 49 Cb -0.23 -0.39 -0.14 0.00 -2.00 0.00 0.00 41.25 38.49 1v85 s ASN 49 CO 0.29 -1.79 1.59 1.23 -2.94 0.00 0.00 177.10 175.49 1v85 h GLY 50 N -0.56 -1.00 -0.51 0.45 0.00 -1.72 0.41 103.07 100.14 1v85 h GLY 50 Ca -0.40 0.48 0.33 0.00 0.00 0.00 0.00 47.33 47.75 1v85 h GLY 50 CO 0.45 -0.33 0.71 -0.09 0.00 0.00 0.00 176.54 177.29 1v85 h ARG 51 N -0.85 0.28 0.08 4.80 1.12 -1.64 0.59 114.38 118.76 1v85 h ARG 51 Ca -0.04 -0.02 -0.26 0.00 -1.11 0.00 0.00 59.98 58.56 1v85 h ARG 51 Cb 0.75 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.64 1v85 h ARG 51 CO -0.07 0.18 -1.23 1.25 -3.11 0.00 0.00 179.97 176.99 1v85 h LEU 52 N 0.29 0.25 -1.26 3.80 5.85 -1.72 -3.17 115.31 119.35 1v85 h LEU 52 Ca 0.69 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 59.12 1v85 h LEU 52 Cb 1.88 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.79 1v85 h LEU 52 CO -0.38 1.23 0.42 0.25 -0.34 0.00 0.00 178.44 179.62 1v85 h LEU 53 N 0.04 0.81 -0.22 2.25 5.85 0.46 -1.79 115.31 122.72 1v85 h LEU 53 Ca -0.12 -0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.39 1v85 h LEU 53 Cb 1.91 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.74 1v85 h LEU 53 CO 0.17 0.62 -0.56 -0.07 -0.34 0.00 0.00 178.44 178.26 1v85 h LEU 54 N 0.94 0.87 -0.99 2.25 3.38 -1.31 -3.19 115.31 117.26 1v85 h LEU 54 Ca 0.25 -0.57 0.01 0.00 0.09 0.00 0.00 57.88 57.66 1v85 h LEU 54 Cb -0.05 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.40 1v85 h LEU 54 CO -0.05 1.28 0.66 0.71 0.09 0.00 0.00 178.44 181.13 1v85 h THR 55 N 0.49 1.26 -2.23 0.22 1.35 -1.43 -3.42 112.91 109.15 1v85 h THR 55 Ca -0.01 -0.47 -0.59 0.00 -0.55 0.00 0.00 66.41 64.80 1v85 h THR 55 Cb 1.17 -0.20 0.05 0.00 -1.73 0.00 0.00 68.15 67.43 1v85 h THR 55 CO 0.12 0.25 0.92 0.18 -0.25 0.00 0.00 175.52 176.73 1v85 n LEU 56 N -4.39 3.30 -4.82 3.87 4.77 -0.71 -4.98 117.00 114.04 1v85 n LEU 56 Ca 0.12 1.04 -0.24 0.00 -0.03 0.00 0.00 56.01 56.90 1v85 n LEU 56 Cb 0.01 -1.43 -0.05 0.00 -2.33 0.00 0.00 43.42 39.63 1v85 n LEU 56 CO 0.37 -0.17 -0.06 0.42 -1.33 0.00 0.00 177.39 176.62 1v85 s THR 57 N 1.97 2.29 0.32 -5.08 -4.23 -1.26 -4.93 115.64 104.72 1v85 s THR 57 Ca 0.83 -1.53 0.07 0.00 -1.18 0.00 0.00 61.69 59.87 1v85 s THR 57 Cb -0.66 -2.82 0.39 0.00 1.34 0.00 0.00 72.50 70.74 1v85 s THR 57 CO 0.41 0.00 1.58 -0.08 -0.54 0.00 0.00 174.62 176.00 1v85 h GLU 58 N 1.15 0.03 0.19 3.99 4.81 -1.96 -1.23 114.58 121.56 1v85 h GLU 58 Ca -0.41 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 1v85 h GLU 58 Cb 1.27 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1v85 h GLU 58 CO 0.63 0.02 -0.09 0.93 -0.73 0.00 0.00 179.01 179.77 1v85 h GLU 59 N 0.03 -0.25 -0.83 1.92 5.08 -1.98 -2.30 114.58 116.27 1v85 h GLU 59 Ca 0.66 0.02 0.23 0.00 -1.00 0.00 0.00 59.36 59.27 1v85 h GLU 59 Cb 1.49 0.06 -0.15 0.00 0.50 0.00 0.00 28.75 30.64 1v85 h GLU 59 CO -0.85 -0.16 0.03 0.39 -1.00 0.00 0.00 179.01 177.41 1v85 n GLU 60 N -2.78 -0.07 -0.27 2.33 -0.58 -0.63 0.22 120.64 118.87 1v85 n GLU 60 Ca -0.03 1.24 -0.05 0.00 -0.42 0.00 0.00 57.16 57.89 1v85 n GLU 60 Cb 0.10 -1.97 0.06 0.00 -0.57 0.00 0.00 31.44 29.06 1v85 n GLU 60 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 1v85 h PHE 61 N 0.00 0.99 0.00 -0.32 0.04 -1.22 -1.31 116.94 115.12 1v85 h PHE 61 Ca 0.51 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.27 1v85 h PHE 61 Cb 1.05 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.88 1v85 h PHE 61 CO -0.41 0.67 0.00 0.45 -0.60 0.00 0.00 178.31 178.42 1v85 n SER 62 N -4.50 0.61 -4.89 2.17 2.88 0.60 -1.02 113.62 109.47 1v85 n SER 62 Ca 0.07 0.60 -0.33 0.00 -1.33 0.00 0.00 58.87 57.88 1v85 n SER 62 Cb 0.06 -0.75 -0.05 0.00 -0.75 0.00 0.00 64.21 62.72 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 -3.17 3.60 0.98 -1.46 1.81 0.52 -4.02 118.95 117.21 1v85 s ARG 63 Ca 0.08 -0.10 -0.12 0.00 -1.72 0.00 0.00 55.73 53.87 1v85 s ARG 63 Cb 0.11 -2.96 0.13 0.00 -0.45 0.00 0.00 34.95 31.79 1v85 s ARG 63 CO 0.48 0.55 0.80 0.00 -0.68 0.00 0.00 175.30 176.45 1v85 n ALA 64 N 0.50 -1.96 0.18 2.13 0.00 -1.26 -0.97 120.51 119.12 1v85 n ALA 64 Ca -0.06 -0.73 0.03 0.00 0.00 0.00 0.00 53.44 52.68 1v85 n ALA 64 Cb 0.52 -1.99 0.32 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.93 0.00 -0.83 0.00 0.13 -1.95 -3.42 132.00 124.00 1v85 h PRO 65 Ca -0.47 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.85 1v85 h PRO 65 Cb 1.29 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.30 1v85 h PRO 65 CO 0.40 0.43 0.29 1.88 -0.23 0.00 0.00 178.00 180.77 1v85 h TYR 66 N 0.00 0.46 -5.30 1.56 0.05 -1.82 -3.44 116.97 108.49 1v85 h TYR 66 Ca -0.00 0.04 -0.32 0.00 0.05 0.00 0.00 58.73 58.50 1v85 h TYR 66 Cb 0.82 -0.08 -0.20 0.00 1.01 0.00 0.00 36.73 38.29 1v85 h TYR 66 CO 0.00 -0.07 -0.46 -2.37 -1.05 0.00 0.00 178.16 174.21 1v85 n THR 67 N -5.10 0.00 -1.52 -2.88 5.66 -0.14 -4.55 114.28 105.75 1v85 n THR 67 Ca 0.18 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.93 1v85 n THR 67 Cb 0.56 -0.25 -0.16 0.00 -1.55 0.00 0.00 70.33 68.92 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 -2.59 -0.01 -0.65 1.09 5.41 -0.19 -4.72 119.36 117.70 1v85 n ILE 68 Ca 0.06 -0.41 -0.04 0.00 1.00 0.00 0.00 62.75 63.35 1v85 n ILE 68 Cb 0.31 -0.74 -0.03 0.00 -0.71 0.00 0.00 39.64 38.47 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 7.12 1.28 -3.26 0.38 1.02 -1.26 -4.55 120.64 121.37 1v85 n GLU 69 Ca 0.61 -0.39 -0.04 0.00 -0.02 0.00 0.00 57.16 57.32 1v85 n GLU 69 Cb 0.21 -1.26 -0.05 0.00 -0.02 0.00 0.00 31.44 30.32 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 1.77 -0.35 0.10 1.62 2.47 -1.26 -5.05 114.94 114.24 1v85 s ASN 70 Ca 0.16 0.22 -0.33 0.00 0.42 0.00 0.00 52.86 53.33 1v85 s ASN 70 Cb 0.09 1.48 -0.13 0.00 -1.45 0.00 0.00 41.25 41.24 1v85 s ASN 70 CO -0.01 -0.30 1.58 0.28 -3.72 0.00 0.00 177.10 174.93 1v85 h SER 71 N 8.11 -1.33 -0.85 -4.21 0.02 -2.01 -1.79 113.55 111.50 1v85 h SER 71 Ca -0.15 0.13 0.30 0.00 -0.84 0.00 0.00 61.79 61.24 1v85 h SER 71 Cb 1.15 0.48 -0.15 0.00 0.14 0.00 0.00 62.40 64.02 1v85 h SER 71 CO 0.25 -0.55 0.28 -0.24 -1.14 0.00 0.00 176.83 175.43 1v85 n SER 72 N -5.49 0.13 -0.19 3.07 2.88 -1.26 0.21 113.62 112.97 1v85 n SER 72 Ca -0.09 1.42 -0.07 0.00 -1.33 0.00 0.00 58.87 58.80 1v85 n SER 72 Cb 0.41 -0.62 0.03 0.00 -0.75 0.00 0.00 64.21 63.27 1v85 n SER 72 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1v85 h HIS 73 N 0.00 0.72 -0.51 0.66 6.17 -1.74 -1.52 115.15 118.93 1v85 h HIS 73 Ca 0.63 0.00 -0.12 0.00 0.71 0.00 0.00 60.37 61.60 1v85 h HIS 73 Cb 1.56 -0.24 -0.02 0.00 2.52 0.00 0.00 27.41 31.23 1v85 h HIS 73 CO -0.18 0.48 -0.16 0.00 0.71 0.00 0.00 177.93 178.78 1v85 h ARG 74 N 0.75 1.01 -0.56 5.26 3.08 0.26 -2.53 114.38 121.65 1v85 h ARG 74 Ca 0.20 -0.40 -0.02 0.00 0.07 0.00 0.00 59.98 59.83 1v85 h ARG 74 Cb -0.04 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 1v85 h ARG 74 CO -0.04 1.08 0.28 -0.09 -1.07 0.00 0.00 179.97 180.13 1v85 h ARG 75 N 0.88 0.77 -0.23 0.04 1.12 -0.70 0.80 114.38 117.07 1v85 h ARG 75 Ca 0.13 -0.09 -0.08 0.00 -1.11 0.00 0.00 59.98 58.82 1v85 h ARG 75 Cb 0.73 -0.15 -0.00 0.00 -0.01 0.00 0.00 29.97 30.54 1v85 h ARG 75 CO 0.06 0.59 -0.18 0.28 -3.11 0.00 0.00 179.97 177.61 1v85 h VAL 76 N 0.78 1.32 0.36 0.20 2.07 -1.09 -1.97 116.25 117.91 1v85 h VAL 76 Ca 0.20 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 1v85 h VAL 76 Cb 0.07 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1v85 h VAL 76 CO -0.03 0.41 -0.17 0.40 0.02 0.00 0.00 177.57 178.20 1v85 h ILE 77 N 0.23 0.00 -0.56 4.57 2.04 -1.13 -1.71 117.51 120.94 1v85 h ILE 77 Ca 0.04 -0.29 0.11 0.00 1.00 0.00 0.00 64.86 65.72 1v85 h ILE 77 Cb 0.72 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.69 1v85 h ILE 77 CO 0.05 0.00 -0.27 -0.07 0.00 0.00 0.00 178.15 177.85 1v85 h LEU 78 N -0.77 -0.95 0.13 1.44 3.38 -0.98 0.33 115.31 117.89 1v85 h LEU 78 Ca -0.05 0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1v85 h LEU 78 Cb 0.37 0.50 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1v85 h LEU 78 CO 0.08 -0.28 -0.11 0.74 0.09 0.00 0.00 178.44 178.96 1v85 h THR 79 N -0.13 0.00 -1.04 0.22 2.02 -1.45 -0.73 112.91 111.80 1v85 h THR 79 Ca 0.24 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.73 1v85 h THR 79 Cb 0.52 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.80 1v85 h THR 79 CO -0.64 0.00 0.62 -0.33 0.37 0.00 0.00 175.52 175.54 1v85 h GLU 80 N -0.24 0.36 -0.48 6.66 4.39 -1.02 0.35 114.58 124.60 1v85 h GLU 80 Ca -0.02 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1v85 h GLU 80 Cb 0.20 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1v85 h GLU 80 CO 0.00 0.24 0.25 1.25 -1.16 0.00 0.00 179.01 179.59 1v85 h LEU 81 N 0.37 0.60 -2.12 1.33 5.85 0.02 -1.36 115.31 120.00 1v85 h LEU 81 Ca 0.70 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.32 1v85 h LEU 81 Cb 1.65 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.52 1v85 h LEU 81 CO -0.51 0.53 0.07 -0.08 -0.34 0.00 0.00 178.44 178.11 1v85 h GLU 82 N 0.63 0.00 0.00 1.25 4.81 0.12 0.12 114.58 121.52 1v85 h GLU 82 Ca 0.17 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.34 1v85 h GLU 82 Cb 0.07 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1v85 h GLU 82 CO -0.03 0.00 -0.59 0.00 -0.73 0.00 0.00 179.01 177.66 1v85 h ARG 83 N 0.00 0.00 -0.17 1.92 3.08 -1.05 -2.84 114.38 115.32 1v85 h ARG 83 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1v85 h ARG 83 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1v85 h ARG 83 CO 0.00 0.29 0.06 -0.39 -1.07 0.00 0.00 179.97 178.86 1v85 h VAL 84 N -1.00 1.07 0.07 2.04 -1.51 -1.08 -2.64 116.25 113.20 1v85 h VAL 84 Ca -0.08 -0.24 -0.21 0.00 -1.23 0.00 0.00 66.70 64.95 1v85 h VAL 84 Cb 0.65 0.88 0.02 0.00 -2.13 0.00 0.00 31.29 30.71 1v85 h VAL 84 CO -0.05 0.09 -0.85 0.08 -1.23 0.00 0.00 177.57 175.61 1v85 h ARG 85 N 0.23 0.45 -5.33 5.19 0.11 -0.94 -3.41 114.38 110.69 1v85 h ARG 85 Ca 0.06 -0.58 -0.65 0.00 0.10 0.00 0.00 59.98 58.91 1v85 h ARG 85 Cb 0.06 0.19 -0.15 0.00 1.11 0.00 0.00 29.97 31.18 1v85 h ARG 85 CO -0.01 1.23 0.04 0.45 0.10 0.00 0.00 179.97 181.78 1v85 s SER 86 N -7.01 6.34 0.09 0.08 0.15 -0.99 -4.88 113.70 107.47 1v85 s SER 86 Ca -0.12 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.43 1v85 s SER 86 Cb 0.03 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 1v85 s SER 86 CO 0.86 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 175.31 1v85 n GLY 87 N 4.84 1.23 3.74 9.45 0.00 -1.26 -4.68 105.19 118.52 1v85 n GLY 87 Ca -0.03 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 1v85 n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v85 s PRO 88 N 0.55 4.41 -0.04 1.61 0.04 -1.26 -4.98 135.00 135.33 1v85 s PRO 88 Ca 0.00 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 62.93 1v85 s PRO 88 Cb 0.00 -3.17 -0.10 0.00 0.04 0.00 0.00 34.50 31.27 1v85 s PRO 88 CO 0.00 -0.19 0.65 0.77 0.04 0.00 0.00 177.00 178.27 1v85 h SER 89 N 4.88 -0.36 -5.22 6.66 0.02 -2.05 -3.48 113.55 114.00 1v85 h SER 89 Ca -0.46 -0.08 -0.26 0.00 -0.84 0.00 0.00 61.79 60.15 1v85 h SER 89 Cb 1.22 0.09 0.16 0.00 0.14 0.00 0.00 62.40 64.01 1v85 h SER 89 CO 0.74 0.11 -0.72 -0.24 -1.14 0.00 0.00 176.83 175.58 1v85 n SER 90 N -5.06 -3.84 0.00 3.07 2.88 -1.26 -5.33 113.62 104.08 1v85 n SER 90 Ca -0.07 -0.59 0.00 0.00 -1.33 0.00 0.00 58.87 56.89 1v85 n SER 90 Cb 0.21 -4.66 0.00 0.00 -0.75 0.00 0.00 64.21 59.02 1v85 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42