#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 3.79 -0.28 1.61 0.01 -1.26 -5.08 113.70 112.49 1v85 s SER 2 Ca 0.00 -2.40 -0.25 0.00 1.31 0.00 0.00 55.95 54.61 1v85 s SER 2 Cb 0.00 -1.04 0.12 0.00 0.21 0.00 0.00 66.02 65.31 1v85 s SER 2 CO 0.00 -0.30 1.00 -0.44 0.41 0.00 0.00 173.24 173.91 1v85 s SER 3 N 0.64 -0.48 -0.00 2.44 0.01 -1.26 -5.18 113.70 109.86 1v85 s SER 3 Ca 0.16 0.92 -0.20 0.00 1.31 0.00 0.00 55.95 58.14 1v85 s SER 3 Cb -0.23 0.94 0.04 0.00 0.21 0.00 0.00 66.02 66.98 1v85 s SER 3 CO -0.05 -0.16 0.45 -0.83 0.41 0.00 0.00 173.24 173.06 1v85 s GLY 4 N 0.24 -0.31 0.10 3.44 0.00 -1.26 -5.08 107.32 104.45 1v85 s GLY 4 Ca 0.03 0.60 0.00 0.00 0.00 0.00 0.00 44.72 45.34 1v85 s GLY 4 CO -0.06 0.33 0.00 -1.26 0.00 0.00 0.00 173.10 172.11 1v85 n SER 5 N 0.92 0.65 -4.51 1.64 2.88 -1.26 -4.98 113.62 108.95 1v85 n SER 5 Ca -0.20 0.15 -0.42 0.00 -1.33 0.00 0.00 58.87 57.07 1v85 n SER 5 Cb 0.58 -0.15 -0.04 0.00 -0.75 0.00 0.00 64.21 63.85 1v85 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1v85 s SER 6 N -5.60 6.25 -0.29 -3.46 0.01 -1.26 -4.85 113.70 104.50 1v85 s SER 6 Ca 0.00 -0.53 0.16 0.00 1.31 0.00 0.00 55.95 56.90 1v85 s SER 6 Cb 0.00 -2.47 0.48 0.00 0.21 0.00 0.00 66.02 64.24 1v85 s SER 6 CO 0.00 -1.48 1.11 0.61 0.41 0.00 0.00 173.24 173.89 1v85 n GLY 7 N 5.24 3.39 3.22 3.44 0.00 -1.26 -5.07 105.19 114.15 1v85 n GLY 7 Ca 0.01 -1.69 -0.21 0.00 0.00 0.00 0.00 46.02 44.13 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 -3.62 0.94 -0.55 1.61 2.02 -1.26 -5.10 118.70 112.74 1v85 s GLU 8 Ca 0.36 -1.04 -0.27 0.00 0.02 0.00 0.00 54.97 54.03 1v85 s GLU 8 Cb 0.37 -1.05 0.03 0.00 0.10 0.00 0.00 34.13 33.58 1v85 s GLU 8 CO -0.02 0.24 1.12 -3.38 0.02 0.00 0.00 175.26 173.24 1v85 s HIS 9 N -1.24 2.69 0.00 1.61 -3.43 -1.26 -3.98 115.29 109.69 1v85 s HIS 9 Ca 0.02 0.39 0.00 0.00 -0.80 0.00 0.00 55.06 54.66 1v85 s HIS 9 Cb -0.10 -4.39 0.00 0.00 -1.43 0.00 0.00 32.58 26.66 1v85 s HIS 9 CO 0.03 -1.46 0.00 0.41 -2.00 0.00 0.00 174.74 171.72 1v85 n GLY 10 N 5.03 1.89 0.34 -1.38 0.00 -1.26 -4.95 105.19 104.86 1v85 n GLY 10 Ca 0.08 -0.16 0.17 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.93 0.99 -0.00 -2.01 -2.81 115.31 110.55 1v85 h LEU 11 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.88 57.98 1v85 h LEU 11 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 40.53 1v85 h LEU 11 CO 0.00 0.00 -0.52 -0.07 -0.00 0.00 0.00 178.44 177.85 1v85 h LEU 12 N 0.00 -1.91 -0.46 0.17 3.38 -1.88 0.25 115.31 114.87 1v85 h LEU 12 Ca 0.03 0.31 0.04 0.00 0.09 0.00 0.00 57.88 58.35 1v85 h LEU 12 Cb 0.66 0.87 -0.04 0.00 0.09 0.00 0.00 40.66 42.24 1v85 h LEU 12 CO -0.00 -0.27 0.23 -0.37 0.09 0.00 0.00 178.44 178.13 1v85 h VAL 13 N -0.05 0.98 -0.57 1.22 -1.51 -1.82 -2.50 116.25 112.00 1v85 h VAL 13 Ca 0.20 -0.16 0.11 0.00 -1.23 0.00 0.00 66.70 65.62 1v85 h VAL 13 Cb 0.48 0.47 -0.08 0.00 -2.13 0.00 0.00 31.29 30.03 1v85 h VAL 13 CO -0.91 0.09 0.10 0.45 -1.23 0.00 0.00 177.57 176.07 1v85 h HIS 14 N 0.47 0.15 -3.36 5.19 3.86 -0.78 -3.39 115.15 117.28 1v85 h HIS 14 Ca 0.20 0.04 -0.57 0.00 -1.16 0.00 0.00 60.37 58.87 1v85 h HIS 14 Cb 0.09 0.02 -0.06 0.00 1.06 0.00 0.00 27.41 28.52 1v85 h HIS 14 CO -0.10 -0.04 0.11 0.21 0.86 0.00 0.00 177.93 178.97 1v85 s LYS 15 N -6.12 4.38 0.19 2.45 2.20 0.19 -5.01 119.74 118.03 1v85 s LYS 15 Ca -0.13 0.83 -0.32 0.00 -0.36 0.00 0.00 55.97 55.99 1v85 s LYS 15 Cb 0.17 -3.48 -0.15 0.00 -1.51 0.00 0.00 37.83 32.86 1v85 s LYS 15 CO 0.73 -0.02 1.16 0.00 -0.36 0.00 0.00 175.35 176.87 1v85 n ALA 16 N 4.11 -0.54 0.20 3.13 0.00 -1.26 -4.82 120.51 121.33 1v85 n ALA 16 Ca -0.01 0.45 0.05 0.00 0.00 0.00 0.00 53.44 53.92 1v85 n ALA 16 Cb 0.51 -2.05 0.42 0.00 0.00 0.00 0.00 19.45 18.33 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 2.61 1.10 0.00 0.00 2.07 -1.88 -2.10 116.25 118.04 1v85 h VAL 17 Ca -0.43 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 65.92 1v85 h VAL 17 Cb 1.34 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 1v85 h VAL 17 CO 0.69 0.32 0.00 -0.90 0.02 0.00 0.00 177.57 177.71 1v85 n ASP 18 N -3.95 0.00 -0.18 0.57 5.75 -1.26 -1.58 116.55 115.89 1v85 n ASP 18 Ca -0.02 -0.34 0.03 0.00 -0.01 0.00 0.00 54.79 54.45 1v85 n ASP 18 Cb 0.39 -0.08 0.01 0.00 -1.03 0.00 0.00 41.12 40.42 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 -1.08 1.06 -0.76 0.11 4.01 -0.79 -3.47 118.16 117.23 1v85 n LYS 19 Ca 0.10 -0.65 -0.30 0.00 -0.51 0.00 0.00 58.31 56.96 1v85 n LYS 19 Cb 0.07 -1.03 0.20 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 -0.71 1.68 0.21 2.13 0.52 -0.61 -4.91 118.94 117.24 1v85 s TRP 20 Ca 0.06 1.40 0.11 0.00 0.02 0.00 0.00 56.10 57.69 1v85 s TRP 20 Cb 0.05 -3.19 -0.04 0.00 -1.15 0.00 0.00 33.47 29.13 1v85 s TRP 20 CO 0.10 -3.16 -0.21 0.95 0.02 0.00 0.00 176.95 174.66 1v85 s THR 21 N -2.64 2.50 0.48 2.01 -4.23 -1.26 -2.93 115.64 109.56 1v85 s THR 21 Ca 0.67 -2.05 0.43 0.00 -1.18 0.00 0.00 61.69 59.56 1v85 s THR 21 Cb -0.22 -2.23 0.64 0.00 1.34 0.00 0.00 72.50 72.02 1v85 s THR 21 CO 0.60 -0.17 1.34 0.41 -0.54 0.00 0.00 174.62 176.26 1v85 n THR 22 N 0.06 -0.00 0.05 3.99 -1.04 -1.26 0.48 114.28 116.55 1v85 n THR 22 Ca -0.11 1.28 -0.06 0.00 -2.04 0.00 0.00 64.05 63.12 1v85 n THR 22 Cb 0.57 -2.14 -0.04 0.00 -1.82 0.00 0.00 70.33 66.90 1v85 n THR 22 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1v85 h GLU 23 N 0.00 -0.21 -1.00 -2.82 4.81 -1.94 -3.17 114.58 110.25 1v85 h GLU 23 Ca 0.81 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 60.09 1v85 h GLU 23 Cb 3.24 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 32.61 1v85 h GLU 23 CO -0.01 0.04 0.65 0.93 -0.73 0.00 0.00 179.01 179.89 1v85 h GLU 24 N -1.01 1.22 -0.35 1.92 5.08 -0.35 -1.19 114.58 119.90 1v85 h GLU 24 Ca -0.02 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1v85 h GLU 24 Cb 0.35 -0.27 -0.07 0.00 0.50 0.00 0.00 28.75 29.25 1v85 h GLU 24 CO 0.04 0.81 -0.13 0.28 -1.00 0.00 0.00 179.01 179.00 1v85 h VAL 25 N 1.26 0.56 -0.16 3.13 2.07 -0.75 0.44 116.25 122.78 1v85 h VAL 25 Ca 0.40 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.80 1v85 h VAL 25 Cb 0.02 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1v85 h VAL 25 CO -0.13 0.00 -0.45 0.58 0.02 0.00 0.00 177.57 177.59 1v85 h VAL 26 N -0.06 1.32 0.15 2.57 2.07 -1.43 -3.03 116.25 117.84 1v85 h VAL 26 Ca 0.17 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.06 1v85 h VAL 26 Cb 0.33 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1v85 h VAL 26 CO -0.40 0.50 -0.07 -0.07 0.02 0.00 0.00 177.57 177.55 1v85 h LEU 27 N 0.32 -0.17 -0.99 2.57 3.38 -0.10 0.84 115.31 121.17 1v85 h LEU 27 Ca 0.02 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.07 1v85 h LEU 27 Cb 0.91 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.63 1v85 h LEU 27 CO 0.08 -0.10 0.63 -0.25 0.09 0.00 0.00 178.44 178.89 1v85 h TRP 28 N -0.22 1.16 0.00 1.13 7.01 -0.96 -0.02 115.95 124.04 1v85 h TRP 28 Ca -0.02 0.03 -0.07 0.00 2.11 0.00 0.00 58.89 60.94 1v85 h TRP 28 Cb 0.17 -0.37 -0.01 0.00 -2.10 0.00 0.00 29.16 26.85 1v85 h TRP 28 CO -0.06 0.54 -0.33 1.25 -2.79 0.00 0.00 178.44 177.05 1v85 h LEU 29 N 1.08 0.00 0.00 0.65 5.85 -1.35 -2.77 115.31 118.77 1v85 h LEU 29 Ca 0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.17 1v85 h LEU 29 Cb 0.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1v85 h LEU 29 CO -0.21 0.33 0.00 -0.62 -0.34 0.00 0.00 178.44 177.60 1v85 n GLU 30 N -3.42 0.92 -0.02 1.25 1.02 0.26 -2.87 120.64 117.78 1v85 n GLU 30 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 1v85 n GLU 30 Cb 0.51 -1.07 -0.06 0.00 -0.02 0.00 0.00 31.44 30.80 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 -0.57 1.30 0.20 3.49 6.02 -1.04 -4.54 117.38 122.24 1v85 n GLN 31 Ca 0.03 -0.05 0.05 0.00 -0.01 0.00 0.00 57.00 57.02 1v85 n GLN 31 Cb 0.01 -1.20 0.42 0.00 1.02 0.00 0.00 30.24 30.49 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 -1.60 -3.47 115.31 114.70 1v85 h LEU 32 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1v85 h LEU 32 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1v85 h LEU 32 CO 0.00 0.33 0.00 0.61 0.09 0.00 0.00 178.44 179.47 1v85 n GLY 33 N -0.34 0.85 0.24 0.83 0.00 -1.26 -5.00 105.19 100.52 1v85 n GLY 33 Ca -0.01 -0.74 0.16 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.91 -2.56 132.00 129.27 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 -2.86 0.58 -0.35 1.56 4.27 -1.26 -3.22 117.44 116.15 1v85 n TRP 35 Ca 0.01 0.20 0.04 0.00 -3.89 0.00 0.00 57.50 53.86 1v85 n TRP 35 Cb 0.28 -0.83 0.20 0.00 -1.36 0.00 0.00 31.31 29.60 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 2.47 1.45 0.00 -1.67 0.00 -1.71 0.12 119.26 119.93 1v85 h ALA 36 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1v85 h ALA 36 Cb 0.45 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1v85 h ALA 36 CO 0.00 0.38 0.00 0.45 0.00 0.00 0.00 179.25 180.08 1v85 n SER 37 N -4.51 0.04 0.06 0.00 2.88 -1.20 -0.16 113.62 110.72 1v85 n SER 37 Ca 0.15 0.51 0.12 0.00 -1.33 0.00 0.00 58.87 58.33 1v85 n SER 37 Cb 0.21 -0.52 0.28 0.00 -0.75 0.00 0.00 64.21 63.44 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 -1.55 0.63 0.00 2.46 4.77 0.41 -4.13 117.00 119.59 1v85 n LEU 38 Ca 0.01 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1v85 n LEU 38 Cb 0.04 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1v85 n LEU 38 CO 0.04 -0.05 -0.48 -1.22 -1.33 0.00 0.00 177.39 174.35 1v85 n TYR 39 N -1.99 0.00 -0.57 -1.77 4.02 0.17 -4.69 117.16 112.33 1v85 n TYR 39 Ca 0.05 0.00 0.45 0.00 -0.01 0.00 0.00 57.90 58.39 1v85 n TYR 39 Cb 0.41 0.00 0.73 0.00 -0.02 0.00 0.00 39.34 40.46 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 -1.82 -0.02 -0.19 -0.72 1.85 0.78 0.13 116.66 116.67 1v85 n ARG 40 Ca 0.00 1.16 -0.03 0.00 -1.00 0.00 0.00 57.85 57.99 1v85 n ARG 40 Cb 0.37 -2.45 0.07 0.00 -1.05 0.00 0.00 32.46 29.41 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 0.37 0.35 2.89 3.32 -1.84 0.10 116.42 121.61 1v85 h ASP 41 Ca 0.89 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.91 1v85 h ASP 41 Cb 3.19 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 42.71 1v85 h ASP 41 CO -0.27 0.25 -0.33 0.03 -1.72 0.00 0.00 179.24 177.19 1v85 h ARG 42 N 0.52 0.00 0.08 3.56 3.08 0.80 -1.15 114.38 121.27 1v85 h ARG 42 Ca 0.26 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.31 1v85 h ARG 42 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1v85 h ARG 42 CO -0.20 0.33 -0.04 0.74 -1.07 0.00 0.00 179.97 179.74 1v85 h PHE 43 N 0.00 -0.10 0.51 3.04 -1.00 -1.02 -2.21 116.94 116.16 1v85 h PHE 43 Ca -0.00 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 1v85 h PHE 43 Cb 0.60 0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.20 1v85 h PHE 43 CO 0.00 0.40 -0.24 -0.07 -1.61 0.00 0.00 178.31 176.78 1v85 h LEU 44 N -0.68 -0.58 -0.54 1.54 -0.00 -0.98 0.21 115.31 114.28 1v85 h LEU 44 Ca -0.01 -0.04 0.11 0.00 -0.00 0.00 0.00 57.88 57.94 1v85 h LEU 44 Cb 0.55 0.15 -0.09 0.00 -0.00 0.00 0.00 40.66 41.26 1v85 h LEU 44 CO 0.02 -0.31 -0.03 -1.28 -0.00 0.00 0.00 178.44 176.83 1v85 h SER 45 N -0.83 -0.30 -0.06 -0.43 0.87 -1.33 0.57 113.55 112.04 1v85 h SER 45 Ca -0.07 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1v85 h SER 45 Cb 0.58 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1v85 h SER 45 CO 0.11 -0.11 0.00 -0.62 -0.53 0.00 0.00 176.83 175.68 1v85 n GLU 46 N -5.28 1.27 -3.81 2.24 -0.58 -0.83 -4.86 120.64 108.79 1v85 n GLU 46 Ca 0.06 -0.27 -0.29 0.00 -0.42 0.00 0.00 57.16 56.24 1v85 n GLU 46 Cb 0.30 -1.34 -0.06 0.00 -0.57 0.00 0.00 31.44 29.76 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 -0.84 -2.00 3.49 5.12 0.20 -4.74 116.66 117.80 1v85 n ARG 47 Ca 0.02 0.09 -0.41 0.00 -1.93 0.00 0.00 57.85 55.63 1v85 n ARG 47 Cb 0.21 -3.26 -0.03 0.00 -1.16 0.00 0.00 32.46 28.23 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 -3.13 3.42 0.57 1.55 1.01 0.63 -4.83 120.40 119.63 1v85 s VAL 48 Ca 0.42 0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.79 1v85 s VAL 48 Cb -0.25 -3.72 0.04 0.00 0.00 0.00 0.00 36.38 32.46 1v85 s VAL 48 CO 0.76 -0.56 0.80 0.54 0.00 0.00 0.00 175.10 176.64 1v85 s ASN 49 N 7.01 5.17 0.11 3.32 4.22 -1.26 -4.30 114.94 129.21 1v85 s ASN 49 Ca 0.76 -0.07 -0.35 0.00 -2.14 0.00 0.00 52.86 51.07 1v85 s ASN 49 Cb -0.19 -0.75 -0.14 0.00 1.28 0.00 0.00 41.25 41.45 1v85 s ASN 49 CO 0.29 -1.23 1.56 1.23 -2.04 0.00 0.00 177.10 176.91 1v85 h GLY 50 N 0.01 -1.14 -0.83 0.45 0.00 -1.70 0.30 103.07 100.16 1v85 h GLY 50 Ca -0.41 0.65 0.39 0.00 0.00 0.00 0.00 47.33 47.96 1v85 h GLY 50 CO 0.51 -0.25 0.83 -0.09 0.00 0.00 0.00 176.54 177.53 1v85 h ARG 51 N -0.72 0.15 0.09 4.80 1.12 -1.64 0.98 114.38 119.16 1v85 h ARG 51 Ca 0.00 -0.01 -0.26 0.00 -1.11 0.00 0.00 59.98 58.60 1v85 h ARG 51 Cb 0.75 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.66 1v85 h ARG 51 CO -0.32 0.10 -1.24 1.25 -3.11 0.00 0.00 179.97 176.65 1v85 h LEU 52 N 0.16 0.29 -0.23 3.80 5.85 -1.47 -3.20 115.31 120.50 1v85 h LEU 52 Ca 0.74 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 59.12 1v85 h LEU 52 Cb 2.32 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 43.24 1v85 h LEU 52 CO -0.33 1.26 0.07 0.25 -0.34 0.00 0.00 178.44 179.35 1v85 h LEU 53 N 0.05 0.33 -0.24 2.25 5.85 0.45 -2.24 115.31 121.77 1v85 h LEU 53 Ca -0.12 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.42 1v85 h LEU 53 Cb 1.93 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.85 1v85 h LEU 53 CO 0.17 0.44 0.09 -0.07 -0.34 0.00 0.00 178.44 178.73 1v85 h LEU 54 N 0.20 0.11 -0.51 2.25 3.38 -1.16 -2.66 115.31 116.92 1v85 h LEU 54 Ca 0.07 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.13 1v85 h LEU 54 Cb 0.23 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 1v85 h LEU 54 CO -0.00 0.10 0.20 0.71 0.09 0.00 0.00 178.44 179.53 1v85 h THR 55 N 0.20 0.85 -2.91 0.22 1.35 -1.53 -3.43 112.91 107.67 1v85 h THR 55 Ca 0.10 -0.13 -0.59 0.00 -0.55 0.00 0.00 66.41 65.24 1v85 h THR 55 Cb 0.06 0.43 0.16 0.00 -1.73 0.00 0.00 68.15 67.06 1v85 h THR 55 CO -0.10 0.07 -0.21 0.18 -0.25 0.00 0.00 175.52 175.21 1v85 n LEU 56 N -4.98 1.35 -4.39 3.87 4.77 -0.85 -5.01 117.00 111.76 1v85 n LEU 56 Ca 0.05 0.85 -0.19 0.00 -0.03 0.00 0.00 56.01 56.69 1v85 n LEU 56 Cb 0.20 -1.22 -0.10 0.00 -2.33 0.00 0.00 43.42 39.96 1v85 n LEU 56 CO 0.25 -2.52 -0.28 0.42 -1.33 0.00 0.00 177.39 173.93 1v85 s THR 57 N -1.54 0.99 0.65 -5.08 -4.23 -1.26 -4.98 115.64 100.19 1v85 s THR 57 Ca 0.67 -2.01 0.16 0.00 -1.18 0.00 0.00 61.69 59.33 1v85 s THR 57 Cb -0.50 -2.67 0.19 0.00 1.34 0.00 0.00 72.50 70.86 1v85 s THR 57 CO 0.55 -0.06 1.42 -0.08 -0.54 0.00 0.00 174.62 175.90 1v85 h GLU 58 N 2.26 0.00 0.00 3.99 4.81 -1.95 -1.11 114.58 122.57 1v85 h GLU 58 Ca -0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1v85 h GLU 58 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1v85 h GLU 58 CO 0.66 0.00 -0.23 1.49 -0.73 0.00 0.00 179.01 180.20 1v85 h GLU 59 N 0.00 0.00 -0.98 1.92 4.81 -1.97 -3.30 114.58 115.05 1v85 h GLU 59 Ca 0.10 0.00 0.34 0.00 -0.13 0.00 0.00 59.36 59.67 1v85 h GLU 59 Cb 1.66 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.88 1v85 h GLU 59 CO -0.00 0.00 0.42 0.93 -0.73 0.00 0.00 179.01 179.63 1v85 h GLU 60 N -0.65 0.13 -0.91 1.92 4.39 -1.63 1.06 114.58 118.90 1v85 h GLU 60 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1v85 h GLU 60 Cb 0.23 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 1v85 h GLU 60 CO 0.00 0.08 0.57 0.74 -1.16 0.00 0.00 179.01 179.24 1v85 h PHE 61 N 0.13 1.17 0.00 4.33 0.04 -1.48 -0.37 116.94 120.77 1v85 h PHE 61 Ca 0.73 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.51 1v85 h PHE 61 Cb 1.73 -0.39 0.00 0.00 2.20 0.00 0.00 35.95 39.49 1v85 h PHE 61 CO -0.13 0.77 0.00 -1.13 -0.60 0.00 0.00 178.31 177.21 1v85 n SER 62 N -4.37 0.14 -4.51 2.17 3.41 0.36 -2.08 113.62 108.74 1v85 n SER 62 Ca 0.10 -1.99 -0.30 0.00 -0.26 0.00 0.00 58.87 56.42 1v85 n SER 62 Cb 0.04 -0.07 -0.11 0.00 -0.26 0.00 0.00 64.21 63.81 1v85 n SER 62 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1v85 s ARG 63 N -1.86 2.00 0.77 4.33 1.81 -0.15 -4.41 118.95 121.43 1v85 s ARG 63 Ca 0.00 -1.05 -0.14 0.00 -1.72 0.00 0.00 55.73 52.81 1v85 s ARG 63 Cb 0.00 -2.20 0.05 0.00 -0.45 0.00 0.00 34.95 32.35 1v85 s ARG 63 CO 0.00 0.51 1.13 0.00 -0.68 0.00 0.00 175.30 176.26 1v85 n ALA 64 N 1.05 -0.02 0.17 2.13 0.00 -1.26 -0.03 120.51 122.55 1v85 n ALA 64 Ca -0.15 -0.27 0.02 0.00 0.00 0.00 0.00 53.44 53.04 1v85 n ALA 64 Cb 0.52 -2.21 0.31 0.00 0.00 0.00 0.00 19.45 18.07 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 -0.60 0.00 -0.88 0.00 0.13 -1.96 -3.42 132.00 125.27 1v85 h PRO 65 Ca -0.47 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.84 1v85 h PRO 65 Cb 1.31 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.28 1v85 h PRO 65 CO 0.47 0.44 -0.19 1.88 -0.23 0.00 0.00 178.00 180.37 1v85 h TYR 66 N 0.00 -0.41 -5.02 1.56 0.05 -1.72 -3.43 116.97 108.00 1v85 h TYR 66 Ca -0.00 0.08 -0.27 0.00 0.05 0.00 0.00 58.73 58.58 1v85 h TYR 66 Cb 0.83 0.32 -0.17 0.00 1.01 0.00 0.00 36.73 38.72 1v85 h TYR 66 CO 0.00 -0.37 -0.39 -2.37 -1.05 0.00 0.00 178.16 173.98 1v85 n THR 67 N -5.55 0.00 -1.52 -2.88 5.66 0.95 -4.56 114.28 106.39 1v85 n THR 67 Ca 0.14 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.91 1v85 n THR 67 Cb 0.47 -0.21 -0.16 0.00 -1.55 0.00 0.00 70.33 68.87 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 -2.42 -0.01 -0.67 1.09 5.41 -0.88 -4.72 119.36 117.16 1v85 n ILE 68 Ca 0.05 -0.46 -0.04 0.00 1.00 0.00 0.00 62.75 63.30 1v85 n ILE 68 Cb 0.31 -0.78 -0.05 0.00 -0.71 0.00 0.00 39.64 38.40 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 7.00 1.33 -3.24 0.38 1.02 -1.26 -4.59 120.64 121.28 1v85 n GLU 69 Ca 0.60 -0.35 -0.03 0.00 -0.02 0.00 0.00 57.16 57.36 1v85 n GLU 69 Cb 0.23 -1.32 -0.04 0.00 -0.02 0.00 0.00 31.44 30.29 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 1.95 -0.53 0.09 1.62 3.84 -1.26 -5.05 114.94 115.59 1v85 s ASN 70 Ca 0.21 0.23 -0.33 0.00 0.21 0.00 0.00 52.86 53.18 1v85 s ASN 70 Cb 0.10 1.58 -0.15 0.00 -0.55 0.00 0.00 41.25 42.23 1v85 s ASN 70 CO -0.00 -0.30 1.59 0.28 -2.79 0.00 0.00 177.10 175.88 1v85 h SER 71 N 8.09 -1.11 -0.86 -4.21 0.02 -2.01 -2.22 113.55 111.25 1v85 h SER 71 Ca -0.14 0.09 0.34 0.00 -0.84 0.00 0.00 61.79 61.24 1v85 h SER 71 Cb 1.15 0.36 -0.15 0.00 0.14 0.00 0.00 62.40 63.90 1v85 h SER 71 CO 0.24 -0.58 0.40 -1.20 -1.14 0.00 0.00 176.83 174.55 1v85 n SER 72 N -5.51 0.24 -0.20 3.07 7.64 -1.26 0.24 113.62 117.84 1v85 n SER 72 Ca -0.11 1.42 -0.08 0.00 1.01 0.00 0.00 58.87 61.11 1v85 n SER 72 Cb 0.41 -0.67 0.02 0.00 -1.01 0.00 0.00 64.21 62.96 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 0.88 -0.45 1.43 6.17 -1.82 -2.36 115.15 118.99 1v85 h HIS 73 Ca 0.70 -0.08 -0.11 0.00 0.71 0.00 0.00 60.37 61.58 1v85 h HIS 73 Cb 1.81 -0.26 -0.01 0.00 2.52 0.00 0.00 27.41 31.47 1v85 h HIS 73 CO -0.07 0.74 -0.16 0.00 0.71 0.00 0.00 177.93 179.15 1v85 h ARG 74 N 0.77 0.90 -0.67 5.26 3.08 0.31 -2.48 114.38 121.55 1v85 h ARG 74 Ca 0.18 -0.37 0.05 0.00 0.07 0.00 0.00 59.98 59.92 1v85 h ARG 74 Cb 0.26 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.22 1v85 h ARG 74 CO -0.01 1.02 0.38 -0.09 -1.07 0.00 0.00 179.97 180.20 1v85 h ARG 75 N 0.74 0.68 -0.48 0.04 1.12 -0.85 0.34 114.38 115.98 1v85 h ARG 75 Ca 0.11 -0.04 -0.06 0.00 -1.11 0.00 0.00 59.98 58.87 1v85 h ARG 75 Cb 0.72 -0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 30.50 1v85 h ARG 75 CO 0.05 0.45 0.06 0.28 -3.11 0.00 0.00 179.97 177.70 1v85 h VAL 76 N 0.70 1.25 0.43 0.20 2.07 -1.34 -0.76 116.25 118.80 1v85 h VAL 76 Ca 0.29 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 1v85 h VAL 76 Cb 0.16 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1v85 h VAL 76 CO -0.17 0.34 -0.21 0.40 0.02 0.00 0.00 177.57 177.95 1v85 h ILE 77 N 0.67 0.00 0.10 4.57 2.04 -0.95 -2.17 117.51 121.77 1v85 h ILE 77 Ca 0.14 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.72 1v85 h ILE 77 Cb 0.42 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.45 1v85 h ILE 77 CO 0.01 0.00 -0.51 -0.07 0.00 0.00 0.00 178.15 177.58 1v85 h LEU 78 N -0.87 -1.55 -0.40 1.44 -0.00 -0.42 0.31 115.31 113.82 1v85 h LEU 78 Ca -0.06 0.16 0.05 0.00 -0.00 0.00 0.00 57.88 58.04 1v85 h LEU 78 Cb 0.44 0.57 -0.08 0.00 -0.00 0.00 0.00 40.66 41.59 1v85 h LEU 78 CO 0.10 -0.53 -0.55 0.74 -0.00 0.00 0.00 178.44 178.20 1v85 h THR 79 N -0.72 0.01 -0.94 0.22 2.02 -1.26 0.48 112.91 112.72 1v85 h THR 79 Ca -0.00 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 1v85 h THR 79 Cb 0.73 0.01 -0.08 0.00 -1.74 0.00 0.00 68.15 67.07 1v85 h THR 79 CO -0.29 0.00 0.58 -0.33 0.37 0.00 0.00 175.52 175.85 1v85 h GLU 80 N -0.40 0.90 -0.17 6.66 4.39 -1.12 -0.02 114.58 124.82 1v85 h GLU 80 Ca 0.08 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 1v85 h GLU 80 Cb 0.60 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1v85 h GLU 80 CO -0.59 0.59 -0.20 -0.07 -1.16 0.00 0.00 179.01 177.58 1v85 h LEU 81 N 0.93 0.28 -1.89 1.33 3.38 0.18 -1.95 115.31 117.57 1v85 h LEU 81 Ca 0.46 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.33 1v85 h LEU 81 Cb 0.45 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1v85 h LEU 81 CO -0.26 0.50 -0.13 -0.08 0.09 0.00 0.00 178.44 178.56 1v85 h GLU 82 N 0.27 0.00 0.00 1.13 4.57 0.18 -2.09 114.58 118.64 1v85 h GLU 82 Ca 0.05 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.20 1v85 h GLU 82 Cb 0.52 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1v85 h GLU 82 CO 0.03 0.13 -0.42 0.00 -1.18 0.00 0.00 179.01 177.58 1v85 h ARG 83 N 0.00 0.00 -1.00 1.92 3.08 -1.17 -2.53 114.38 114.68 1v85 h ARG 83 Ca -0.00 0.00 0.27 0.00 0.07 0.00 0.00 59.98 60.32 1v85 h ARG 83 Cb 0.31 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.23 1v85 h ARG 83 CO 0.02 0.17 0.58 -0.39 -1.07 0.00 0.00 179.97 179.28 1v85 h VAL 84 N -1.00 0.45 0.09 2.04 -1.51 -1.39 -0.04 116.25 114.90 1v85 h VAL 84 Ca -0.04 -0.17 -0.20 0.00 -1.23 0.00 0.00 66.70 65.06 1v85 h VAL 84 Cb 0.48 -0.08 0.02 0.00 -2.13 0.00 0.00 31.29 29.58 1v85 h VAL 84 CO -0.02 0.09 -0.85 0.08 -1.23 0.00 0.00 177.57 175.63 1v85 h ARG 85 N 0.49 0.41 -3.34 5.19 0.11 -1.54 -3.44 114.38 112.25 1v85 h ARG 85 Ca 0.67 -0.57 -0.50 0.00 0.10 0.00 0.00 59.98 59.68 1v85 h ARG 85 Cb 1.37 0.19 -0.40 0.00 1.11 0.00 0.00 29.97 32.24 1v85 h ARG 85 CO -0.52 1.23 -0.76 0.45 0.10 0.00 0.00 179.97 180.47 1v85 s SER 86 N -7.01 2.82 0.00 0.08 0.15 -0.06 -5.02 113.70 104.66 1v85 s SER 86 Ca -0.12 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 55.71 1v85 s SER 86 Cb 0.03 -0.48 0.00 0.00 -1.71 0.00 0.00 66.02 63.86 1v85 s SER 86 CO 0.85 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.57 1v85 n GLY 87 N 5.13 -1.15 3.57 9.45 0.00 -0.99 -3.90 105.19 117.30 1v85 n GLY 87 Ca -0.08 0.62 -0.27 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 2.52 0.68 1.61 0.04 -1.26 -4.85 135.00 133.74 1v85 s PRO 88 Ca 0.00 -0.74 -0.08 0.00 0.04 0.00 0.00 61.00 60.21 1v85 s PRO 88 Cb 0.00 -5.16 0.03 0.00 0.04 0.00 0.00 34.50 29.42 1v85 s PRO 88 CO 0.00 -3.70 1.02 -1.54 0.04 0.00 0.00 177.00 172.83 1v85 s SER 89 N 7.25 5.18 -0.17 6.66 1.04 -1.26 -5.09 113.70 127.31 1v85 s SER 89 Ca 0.69 0.76 -0.04 0.00 0.48 0.00 0.00 55.95 57.85 1v85 s SER 89 Cb -0.04 -1.54 0.08 0.00 0.10 0.00 0.00 66.02 64.62 1v85 s SER 89 CO 0.07 -1.41 0.18 -0.94 0.98 0.00 0.00 173.24 172.12 1v85 s SER 90 N -4.42 1.45 0.00 7.02 1.04 -1.26 -5.18 113.70 112.35 1v85 s SER 90 Ca 0.58 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.83 1v85 s SER 90 Cb -0.11 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1v85 s SER 90 CO 0.47 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.99