#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 -0.70 -0.63 1.61 0.15 -1.26 -5.10 113.70 107.77 1v85 s SER 2 Ca 0.00 1.05 -0.26 0.00 0.70 0.00 0.00 55.95 57.44 1v85 s SER 2 Cb 0.00 0.97 -0.06 0.00 -1.71 0.00 0.00 66.02 65.21 1v85 s SER 2 CO 0.00 -0.44 2.18 -0.55 1.20 0.00 0.00 173.24 175.63 1v85 s SER 3 N -0.47 4.69 0.00 5.45 0.15 -1.26 -4.66 113.70 117.60 1v85 s SER 3 Ca -0.06 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.03 1v85 s SER 3 Cb -0.02 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1v85 s SER 3 CO 0.06 -2.88 0.00 0.61 1.20 0.00 0.00 173.24 172.23 1v85 n GLY 4 N 6.16 2.74 3.76 9.45 0.00 -1.26 -5.01 105.19 121.03 1v85 n GLY 4 Ca 0.34 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 1v85 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v85 n SER 5 N 0.00 -4.52 -3.73 1.61 2.88 -1.26 -4.98 113.62 103.62 1v85 n SER 5 Ca 0.00 -0.71 -0.14 0.00 -1.33 0.00 0.00 58.87 56.69 1v85 n SER 5 Cb 0.00 -4.33 -0.14 0.00 -0.75 0.00 0.00 64.21 58.99 1v85 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1v85 s SER 6 N -3.55 0.06 0.00 -3.46 0.15 -1.26 -5.11 113.70 100.53 1v85 s SER 6 Ca 0.50 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.48 1v85 s SER 6 Cb -0.24 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 1v85 s SER 6 CO 0.79 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.67 1v85 n GLY 7 N 4.47 2.63 3.67 9.45 0.00 -1.26 -5.13 105.19 119.02 1v85 n GLY 7 Ca -0.21 -1.61 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 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 -4.71 2.07 -0.33 1.61 8.01 -1.26 -5.12 118.70 118.96 1v85 s GLU 8 Ca 0.00 -2.28 0.02 0.00 0.01 0.00 0.00 54.97 52.72 1v85 s GLU 8 Cb 0.00 -1.36 0.09 0.00 -4.31 0.00 0.00 34.13 28.54 1v85 s GLU 8 CO 0.00 -0.30 0.04 -3.38 0.01 0.00 0.00 175.26 171.63 1v85 s HIS 9 N -2.92 3.57 0.00 1.61 -3.43 -1.26 -4.66 115.29 108.20 1v85 s HIS 9 Ca 0.17 -2.60 0.00 0.00 -0.80 0.00 0.00 55.06 51.82 1v85 s HIS 9 Cb 0.04 -2.69 0.00 0.00 -1.43 0.00 0.00 32.58 28.50 1v85 s HIS 9 CO 0.09 -0.92 0.00 0.41 -2.00 0.00 0.00 174.74 172.32 1v85 n GLY 10 N 4.41 2.56 0.00 -1.38 0.00 -1.26 -4.95 105.19 104.56 1v85 n GLY 10 Ca -0.03 -0.31 0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.19 0.99 -0.00 -1.26 -3.44 117.00 113.09 1v85 n LEU 11 Ca 0.00 0.24 -0.04 0.00 -0.00 0.00 0.00 56.01 56.21 1v85 n LEU 11 Cb 0.00 -0.24 0.06 0.00 -0.00 0.00 0.00 43.42 43.24 1v85 n LEU 11 CO 0.00 -0.06 1.08 -0.07 -0.00 0.00 0.00 177.39 178.33 1v85 h LEU 12 N 0.00 0.53 -0.97 1.47 3.38 -1.88 -0.30 115.31 117.54 1v85 h LEU 12 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1v85 h LEU 12 Cb 0.18 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1v85 h LEU 12 CO 0.00 0.37 0.00 -0.37 0.09 0.00 0.00 178.44 178.53 1v85 h VAL 13 N 0.66 0.00 0.22 1.22 -1.51 -1.89 -2.97 116.25 111.98 1v85 h VAL 13 Ca 0.24 -0.37 -0.34 0.00 -1.23 0.00 0.00 66.70 65.00 1v85 h VAL 13 Cb 0.06 1.23 0.03 0.00 -2.13 0.00 0.00 31.29 30.47 1v85 h VAL 13 CO -0.12 0.00 -1.56 0.45 -1.23 0.00 0.00 177.57 175.12 1v85 h HIS 14 N 0.00 0.85 -3.43 5.19 3.86 -1.29 -3.45 115.15 116.88 1v85 h HIS 14 Ca 0.00 -0.62 -0.60 0.00 -1.16 0.00 0.00 60.37 57.99 1v85 h HIS 14 Cb 0.45 -0.03 -0.11 0.00 1.06 0.00 0.00 27.41 28.78 1v85 h HIS 14 CO 0.00 1.57 -0.26 0.21 0.86 0.00 0.00 177.93 180.31 1v85 s LYS 15 N -2.60 4.19 0.23 2.45 2.20 -0.54 -5.03 119.74 120.64 1v85 s LYS 15 Ca -0.11 0.13 -0.28 0.00 -0.36 0.00 0.00 55.97 55.35 1v85 s LYS 15 Cb 0.05 -3.50 -0.16 0.00 -1.51 0.00 0.00 37.83 32.71 1v85 s LYS 15 CO 0.91 0.06 0.71 0.00 -0.36 0.00 0.00 175.35 176.66 1v85 n ALA 16 N 4.17 -1.97 0.08 3.13 0.00 -1.26 -4.85 120.51 119.81 1v85 n ALA 16 Ca -0.10 0.43 -0.05 0.00 0.00 0.00 0.00 53.44 53.72 1v85 n ALA 16 Cb 0.51 -1.76 0.13 0.00 0.00 0.00 0.00 19.45 18.34 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 1.40 1.37 0.00 0.00 2.07 -1.87 -2.66 116.25 116.56 1v85 h VAL 17 Ca -0.33 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 65.30 1v85 h VAL 17 Cb 1.40 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 1v85 h VAL 17 CO 0.59 0.56 0.00 -0.90 0.02 0.00 0.00 177.57 177.84 1v85 n ASP 18 N -3.91 0.00 -0.19 0.57 5.75 -1.26 -1.63 116.55 115.88 1v85 n ASP 18 Ca -0.02 -0.48 0.04 0.00 -0.01 0.00 0.00 54.79 54.31 1v85 n ASP 18 Cb 0.59 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 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 -1.02 1.90 -0.69 0.11 4.01 -1.01 -3.62 118.16 117.85 1v85 n LYS 19 Ca 0.12 -0.58 -0.29 0.00 -0.51 0.00 0.00 58.31 57.05 1v85 n LYS 19 Cb 0.06 -1.02 0.25 0.00 -0.51 0.00 0.00 35.03 33.81 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 -1.03 0.88 0.18 2.13 0.52 -0.65 -4.95 118.94 116.01 1v85 s TRP 20 Ca 0.06 0.88 0.09 0.00 0.02 0.00 0.00 56.10 57.15 1v85 s TRP 20 Cb 0.06 -3.13 -0.04 0.00 -1.15 0.00 0.00 33.47 29.21 1v85 s TRP 20 CO 0.17 -4.01 -0.18 0.95 0.02 0.00 0.00 176.95 173.89 1v85 s THR 21 N -2.58 1.90 0.58 2.01 -4.23 -1.26 -3.67 115.64 108.38 1v85 s THR 21 Ca 0.68 -1.99 0.35 0.00 -1.18 0.00 0.00 61.69 59.55 1v85 s THR 21 Cb -0.19 -1.92 0.51 0.00 1.34 0.00 0.00 72.50 72.24 1v85 s THR 21 CO 0.61 -0.34 1.37 0.41 -0.54 0.00 0.00 174.62 176.13 1v85 n THR 22 N 0.15 0.00 -0.05 3.99 -1.04 -1.26 0.78 114.28 116.85 1v85 n THR 22 Ca -0.12 1.33 -0.11 0.00 -2.04 0.00 0.00 64.05 63.10 1v85 n THR 22 Cb 0.58 -2.31 -0.10 0.00 -1.82 0.00 0.00 70.33 66.67 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 -0.02 -0.75 -2.82 4.81 -1.94 -3.26 114.58 110.60 1v85 h GLU 23 Ca 0.65 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.83 1v85 h GLU 23 Cb 3.21 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 32.56 1v85 h GLU 23 CO -0.01 0.73 0.27 0.93 -0.73 0.00 0.00 179.01 180.20 1v85 h GLU 24 N -0.95 1.15 -0.49 1.92 5.08 -0.01 -2.30 114.58 118.98 1v85 h GLU 24 Ca -0.00 -0.23 0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1v85 h GLU 24 Cb 0.76 -0.18 -0.09 0.00 0.50 0.00 0.00 28.75 29.74 1v85 h GLU 24 CO 0.00 0.95 -0.14 0.28 -1.00 0.00 0.00 179.01 179.11 1v85 h VAL 25 N 1.10 0.48 -0.13 3.13 2.07 -0.81 0.47 116.25 122.56 1v85 h VAL 25 Ca 0.25 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.66 1v85 h VAL 25 Cb 0.26 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1v85 h VAL 25 CO -0.01 0.00 -0.40 0.58 0.02 0.00 0.00 177.57 177.76 1v85 h VAL 26 N -0.02 1.31 0.19 2.57 2.07 -1.56 -2.87 116.25 117.92 1v85 h VAL 26 Ca 0.23 -1.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 1v85 h VAL 26 Cb 0.38 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1v85 h VAL 26 CO -0.51 0.45 -0.09 -0.07 0.02 0.00 0.00 177.57 177.37 1v85 h LEU 27 N 0.24 -0.21 -0.82 2.57 3.38 -0.44 0.37 115.31 120.41 1v85 h LEU 27 Ca 0.02 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 57.98 1v85 h LEU 27 Cb 0.82 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.56 1v85 h LEU 27 CO 0.06 -0.08 0.51 -0.25 0.09 0.00 0.00 178.44 178.78 1v85 h TRP 28 N -0.33 0.95 0.00 1.13 7.01 -0.98 -1.20 115.95 122.53 1v85 h TRP 28 Ca -0.03 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.91 1v85 h TRP 28 Cb 0.26 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 27.00 1v85 h TRP 28 CO -0.04 0.51 -0.42 1.25 -2.79 0.00 0.00 178.44 176.94 1v85 h LEU 29 N 0.96 0.00 0.00 0.65 5.85 -1.31 -2.78 115.31 118.68 1v85 h LEU 29 Ca 0.35 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.07 1v85 h LEU 29 Cb 0.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1v85 h LEU 29 CO -0.15 0.42 0.00 -0.62 -0.34 0.00 0.00 178.44 177.75 1v85 n GLU 30 N -3.52 0.86 -0.05 1.25 1.02 0.13 -2.89 120.64 117.44 1v85 n GLU 30 Ca -0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1v85 n GLU 30 Cb 0.55 -1.10 -0.07 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 -0.60 2.49 0.28 3.49 6.02 -1.05 -4.52 117.38 123.48 1v85 n GLN 31 Ca 0.04 -0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.15 1v85 n GLN 31 Cb 0.02 -1.24 0.79 0.00 1.02 0.00 0.00 30.24 30.83 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 -1.58 -3.46 115.31 114.73 1v85 h LEU 32 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1v85 h LEU 32 Cb 1.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.32 1v85 h LEU 32 CO 0.01 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.19 1v85 n GLY 33 N -1.23 1.05 0.27 0.83 0.00 -1.26 -5.00 105.19 99.85 1v85 n GLY 33 Ca -0.03 -0.78 0.16 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.60 132.00 129.25 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 0.05 0.00 -2.67 -0.23 0.00 0.00 178.00 175.15 1v85 n TRP 35 N -3.18 0.81 0.26 1.56 4.27 -1.26 -2.82 117.44 117.08 1v85 n TRP 35 Ca 0.00 0.30 0.14 0.00 -3.89 0.00 0.00 57.50 54.05 1v85 n TRP 35 Cb 0.32 -0.99 0.82 0.00 -1.36 0.00 0.00 31.31 30.10 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 2.32 1.74 0.00 -1.67 0.00 -1.71 0.88 119.26 120.82 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 18.22 1v85 h ALA 36 CO 0.00 -0.08 0.00 0.45 0.00 0.00 0.00 179.25 179.62 1v85 n SER 37 N -4.05 0.23 0.01 0.00 2.88 -1.13 -0.85 113.62 110.72 1v85 n SER 37 Ca -0.02 0.56 0.12 0.00 -1.33 0.00 0.00 58.87 58.20 1v85 n SER 37 Cb 0.15 -0.61 0.32 0.00 -0.75 0.00 0.00 64.21 63.32 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 -1.75 0.43 -0.01 2.46 4.77 0.30 -4.07 117.00 119.13 1v85 n LEU 38 Ca 0.03 0.16 -0.01 0.00 -0.03 0.00 0.00 56.01 56.16 1v85 n LEU 38 Cb 0.20 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1v85 n LEU 38 CO 0.16 0.06 -0.57 -1.22 -1.33 0.00 0.00 177.39 174.50 1v85 n TYR 39 N -1.61 0.00 -0.31 -1.77 4.02 -0.78 -4.71 117.16 111.99 1v85 n TYR 39 Ca 0.05 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.05 1v85 n TYR 39 Cb 0.35 -0.11 0.21 0.00 -0.02 0.00 0.00 39.34 39.78 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 -0.29 -0.72 1.85 -0.03 0.14 116.66 115.57 1v85 n ARG 40 Ca -0.03 1.33 0.11 0.00 -1.00 0.00 0.00 57.85 58.27 1v85 n ARG 40 Cb 0.46 -2.07 0.27 0.00 -1.05 0.00 0.00 32.46 30.07 1v85 n ARG 40 CO 0.00 0.00 0.00 0.22 -0.01 0.00 0.00 177.63 177.84 1v85 h ASP 41 N 0.00 0.04 0.43 2.89 3.58 -1.84 0.90 116.42 122.41 1v85 h ASP 41 Ca 0.49 0.18 -0.06 0.00 0.42 0.00 0.00 57.03 58.06 1v85 h ASP 41 Cb 0.94 0.24 -0.01 0.00 1.72 0.00 0.00 39.33 42.21 1v85 h ASP 41 CO -0.85 -0.11 -0.29 0.03 -2.88 0.00 0.00 179.24 175.13 1v85 h ARG 42 N 0.24 0.00 -0.04 0.28 3.08 0.94 0.40 114.38 119.28 1v85 h ARG 42 Ca 0.53 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.46 1v85 h ARG 42 Cb 1.02 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.08 1v85 h ARG 42 CO -0.61 0.29 -0.44 0.74 -1.07 0.00 0.00 179.97 178.88 1v85 h PHE 43 N 0.00 0.52 0.19 3.04 -1.00 0.10 -2.60 116.94 117.19 1v85 h PHE 43 Ca -0.00 -0.26 -0.01 0.00 2.81 0.00 0.00 57.97 60.51 1v85 h PHE 43 Cb 0.59 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 40.08 1v85 h PHE 43 CO 0.00 1.04 -0.09 -0.07 -1.61 0.00 0.00 178.31 177.58 1v85 h LEU 44 N -0.14 -0.21 -0.49 1.54 -0.00 -0.81 0.55 115.31 115.75 1v85 h LEU 44 Ca -0.04 -0.32 0.10 0.00 -0.00 0.00 0.00 57.88 57.62 1v85 h LEU 44 Cb 1.13 0.06 -0.09 0.00 -0.00 0.00 0.00 40.66 41.75 1v85 h LEU 44 CO 0.09 0.30 -0.08 -1.28 -0.00 0.00 0.00 178.44 177.47 1v85 h SER 45 N -0.84 -0.38 -0.12 -0.43 0.87 -1.06 0.50 113.55 112.09 1v85 h SER 45 Ca -0.03 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1v85 h SER 45 Cb 0.52 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1v85 h SER 45 CO 0.04 -0.14 0.00 -0.62 -0.53 0.00 0.00 176.83 175.59 1v85 n GLU 46 N -5.32 1.28 -4.28 2.24 -0.58 -0.98 -4.88 120.64 108.13 1v85 n GLU 46 Ca 0.05 -0.44 -0.38 0.00 -0.42 0.00 0.00 57.16 55.97 1v85 n GLU 46 Cb 0.27 -1.12 -0.06 0.00 -0.57 0.00 0.00 31.44 29.96 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 -0.17 -1.65 -1.72 3.49 5.12 0.18 -4.74 116.66 117.16 1v85 n ARG 47 Ca 0.05 0.21 -0.31 0.00 -1.93 0.00 0.00 57.85 55.87 1v85 n ARG 47 Cb 0.11 -4.84 -0.04 0.00 -1.16 0.00 0.00 32.46 26.53 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 -3.16 3.13 0.66 1.55 1.01 0.18 -4.83 120.40 118.94 1v85 s VAL 48 Ca 0.74 0.01 -0.06 0.00 0.00 0.00 0.00 61.98 62.67 1v85 s VAL 48 Cb -0.43 -3.33 0.04 0.00 0.00 0.00 0.00 36.38 32.67 1v85 s VAL 48 CO 0.91 -0.32 0.97 0.54 0.00 0.00 0.00 175.10 177.21 1v85 s ASN 49 N 10.58 5.08 0.14 3.32 4.22 -1.26 -4.53 114.94 132.48 1v85 s ASN 49 Ca 0.87 0.53 -0.29 0.00 -2.14 0.00 0.00 52.86 51.82 1v85 s ASN 49 Cb -0.14 -1.29 -0.04 0.00 1.28 0.00 0.00 41.25 41.06 1v85 s ASN 49 CO 0.18 -1.42 1.57 1.23 -2.04 0.00 0.00 177.10 176.62 1v85 h GLY 50 N -0.45 -0.72 -0.61 0.45 0.00 -1.73 0.19 103.07 100.20 1v85 h GLY 50 Ca -0.45 0.59 0.29 0.00 0.00 0.00 0.00 47.33 47.76 1v85 h GLY 50 CO 0.60 -0.18 0.35 -0.09 0.00 0.00 0.00 176.54 177.22 1v85 h ARG 51 N -0.39 0.18 -0.19 4.80 1.12 -1.65 0.44 114.38 118.69 1v85 h ARG 51 Ca 0.11 -0.01 -0.20 0.00 -1.11 0.00 0.00 59.98 58.76 1v85 h ARG 51 Cb 0.61 -0.04 0.01 0.00 -0.01 0.00 0.00 29.97 30.53 1v85 h ARG 51 CO -0.54 0.12 -0.68 1.25 -3.11 0.00 0.00 179.97 177.01 1v85 h LEU 52 N 0.19 0.93 -0.92 3.80 5.85 -1.39 -2.96 115.31 120.81 1v85 h LEU 52 Ca 0.65 -0.60 0.13 0.00 0.84 0.00 0.00 57.88 58.90 1v85 h LEU 52 Cb 1.45 -0.27 -0.09 0.00 0.37 0.00 0.00 40.66 42.12 1v85 h LEU 52 CO -0.69 1.37 0.54 0.25 -0.34 0.00 0.00 178.44 179.57 1v85 h LEU 53 N 0.54 0.76 -0.04 2.25 5.85 0.27 -0.83 115.31 124.11 1v85 h LEU 53 Ca -0.03 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1v85 h LEU 53 Cb 1.31 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 1v85 h LEU 53 CO 0.14 0.38 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.55 1v85 h LEU 54 N 0.84 0.08 -2.64 2.25 3.38 -1.22 -2.81 115.31 115.19 1v85 h LEU 54 Ca 0.47 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1v85 h LEU 54 Cb 0.53 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1v85 h LEU 54 CO -0.29 0.43 0.07 0.71 0.09 0.00 0.00 178.44 179.45 1v85 h THR 55 N -0.27 0.20 -3.35 0.22 1.35 -1.22 -3.41 112.91 106.43 1v85 h THR 55 Ca 0.01 0.00 -0.52 0.00 -0.55 0.00 0.00 66.41 65.35 1v85 h THR 55 Cb 0.39 0.94 0.02 0.00 -1.73 0.00 0.00 68.15 67.77 1v85 h THR 55 CO 0.00 0.00 0.58 -0.76 -0.25 0.00 0.00 175.52 175.10 1v85 s LEU 56 N -6.71 4.42 0.41 3.87 1.43 -0.38 -5.04 118.68 116.69 1v85 s LEU 56 Ca -0.05 2.21 0.08 0.00 -1.03 0.00 0.00 54.13 55.33 1v85 s LEU 56 Cb 0.13 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 1v85 s LEU 56 CO 0.45 -0.44 0.26 0.42 0.23 0.00 0.00 176.35 177.27 1v85 s THR 57 N 0.35 2.52 0.17 5.49 -4.23 -1.26 -4.96 115.64 113.72 1v85 s THR 57 Ca 0.56 -1.55 0.18 0.00 -1.18 0.00 0.00 61.69 59.69 1v85 s THR 57 Cb -0.33 -3.00 0.18 0.00 1.34 0.00 0.00 72.50 70.69 1v85 s THR 57 CO 0.34 -0.02 1.47 -0.08 -0.54 0.00 0.00 174.62 175.79 1v85 h GLU 58 N 1.27 0.00 0.00 3.99 4.81 -1.96 -1.84 114.58 120.86 1v85 h GLU 58 Ca -0.42 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.75 1v85 h GLU 58 Cb 1.26 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 1v85 h GLU 58 CO 0.64 0.00 -0.71 -1.91 -0.73 0.00 0.00 179.01 176.31 1v85 n GLU 59 N -2.28 0.48 -0.32 1.92 2.13 -1.26 -3.97 120.64 117.35 1v85 n GLU 59 Ca -0.01 0.53 0.17 0.00 0.66 0.00 0.00 57.16 58.50 1v85 n GLU 59 Cb 0.33 -1.70 0.36 0.00 0.27 0.00 0.00 31.44 30.70 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 0.38 -0.20 5.31 4.39 -1.74 0.77 114.58 122.49 1v85 h GLU 60 Ca -0.08 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1v85 h GLU 60 Cb 0.70 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1v85 h GLU 60 CO -0.05 0.25 0.13 0.74 -1.16 0.00 0.00 179.01 178.92 1v85 h PHE 61 N 0.39 0.26 -0.24 4.33 0.04 -1.58 0.36 116.94 120.49 1v85 h PHE 61 Ca 0.62 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.40 1v85 h PHE 61 Cb 1.26 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.32 1v85 h PHE 61 CO -0.10 0.16 0.00 0.45 -0.60 0.00 0.00 178.31 178.22 1v85 n SER 62 N -4.51 2.05 -4.53 2.17 2.88 0.27 -2.26 113.62 109.70 1v85 n SER 62 Ca 0.00 -2.16 -0.30 0.00 -1.33 0.00 0.00 58.87 55.08 1v85 n SER 62 Cb 0.07 -0.36 -0.11 0.00 -0.75 0.00 0.00 64.21 63.06 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 -1.64 2.00 0.71 -1.46 1.81 0.12 -4.25 118.95 116.23 1v85 s ARG 63 Ca 0.19 -1.07 -0.16 0.00 -1.72 0.00 0.00 55.73 52.97 1v85 s ARG 63 Cb 0.12 -2.22 0.02 0.00 -0.45 0.00 0.00 34.95 32.42 1v85 s ARG 63 CO 0.09 0.51 1.18 0.00 -0.68 0.00 0.00 175.30 176.40 1v85 n ALA 64 N 0.89 0.49 0.12 2.13 0.00 -1.26 -0.15 120.51 122.71 1v85 n ALA 64 Ca -0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 53.44 53.15 1v85 n ALA 64 Cb 0.52 -2.25 0.22 0.00 0.00 0.00 0.00 19.45 17.95 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 -0.04 0.15 -0.91 0.00 0.13 -1.97 -3.43 132.00 125.94 1v85 h PRO 65 Ca -0.49 -0.08 0.28 0.00 -0.87 0.00 0.00 66.00 64.84 1v85 h PRO 65 Cb 1.33 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.29 1v85 h PRO 65 CO 0.50 0.59 0.11 0.66 -0.23 0.00 0.00 178.00 179.63 1v85 n TYR 66 N -3.98 0.68 -2.81 1.56 4.01 -0.87 -4.66 117.16 111.09 1v85 n TYR 66 Ca -0.02 1.10 -0.16 0.00 -0.16 0.00 0.00 57.90 58.66 1v85 n TYR 66 Cb 0.51 -1.25 -0.03 0.00 -0.31 0.00 0.00 39.34 38.26 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 -5.29 0.00 -1.52 -0.72 5.66 0.78 -4.56 114.28 108.63 1v85 n THR 67 Ca 0.24 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 61.02 1v85 n THR 67 Cb 0.80 -0.19 -0.16 0.00 -1.55 0.00 0.00 70.33 69.23 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 -2.36 -0.01 0.46 1.09 5.41 -0.96 -4.69 119.36 118.30 1v85 n ILE 68 Ca 0.05 -0.46 0.01 0.00 1.00 0.00 0.00 62.75 63.34 1v85 n ILE 68 Cb 0.31 -0.83 0.10 0.00 -0.71 0.00 0.00 39.64 38.52 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 7.05 1.99 -3.75 0.38 1.02 -1.26 -4.56 120.64 121.50 1v85 n GLU 69 Ca 0.60 -0.88 -0.29 0.00 -0.02 0.00 0.00 57.16 56.57 1v85 n GLU 69 Cb 0.24 -1.66 -0.16 0.00 -0.02 0.00 0.00 31.44 29.84 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 -0.13 3.56 0.09 1.62 3.84 -1.26 -5.03 114.94 117.63 1v85 s ASN 70 Ca 0.15 -1.26 -0.36 0.00 0.21 0.00 0.00 52.86 51.61 1v85 s ASN 70 Cb 0.12 -0.78 -0.16 0.00 -0.55 0.00 0.00 41.25 39.87 1v85 s ASN 70 CO 0.04 -0.35 1.56 0.28 -2.79 0.00 0.00 177.10 175.84 1v85 h SER 71 N 8.14 -1.46 -0.80 -4.21 0.02 -2.01 -2.03 113.55 111.21 1v85 h SER 71 Ca -0.15 0.13 0.28 0.00 -0.84 0.00 0.00 61.79 61.21 1v85 h SER 71 Cb 1.06 0.50 -0.15 0.00 0.14 0.00 0.00 62.40 63.96 1v85 h SER 71 CO 0.41 -0.64 0.23 -1.20 -1.14 0.00 0.00 176.83 174.49 1v85 n SER 72 N -5.54 0.10 -0.14 3.07 7.64 -1.26 0.21 113.62 117.70 1v85 n SER 72 Ca -0.11 1.35 -0.08 0.00 1.01 0.00 0.00 58.87 61.04 1v85 n SER 72 Cb 0.45 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 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 0.56 -0.44 1.43 6.17 -1.80 -2.19 115.15 118.89 1v85 h HIS 73 Ca 0.59 -0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.64 1v85 h HIS 73 Cb 1.42 -0.18 -0.02 0.00 2.52 0.00 0.00 27.41 31.14 1v85 h HIS 73 CO -0.20 0.41 0.19 0.00 0.71 0.00 0.00 177.93 179.04 1v85 h ARG 74 N 0.54 0.64 -0.50 5.26 3.08 0.27 -2.43 114.38 121.25 1v85 h ARG 74 Ca 0.15 -0.11 0.07 0.00 0.07 0.00 0.00 59.98 60.16 1v85 h ARG 74 Cb 0.03 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 29.91 1v85 h ARG 74 CO -0.03 0.58 0.17 -0.09 -1.07 0.00 0.00 179.97 179.53 1v85 h ARG 75 N 0.56 0.33 -0.30 0.04 1.12 -0.95 0.33 114.38 115.52 1v85 h ARG 75 Ca 0.15 -0.02 0.01 0.00 -1.11 0.00 0.00 59.98 59.01 1v85 h ARG 75 Cb 0.16 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 30.03 1v85 h ARG 75 CO -0.01 0.22 0.18 0.28 -3.11 0.00 0.00 179.97 177.52 1v85 h VAL 76 N 0.34 1.04 0.60 0.20 2.07 -1.21 0.27 116.25 119.55 1v85 h VAL 76 Ca 0.24 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.61 1v85 h VAL 76 Cb 0.26 0.64 0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1v85 h VAL 76 CO -0.25 0.07 -0.29 0.40 0.02 0.00 0.00 177.57 177.52 1v85 h ILE 77 N 0.36 0.00 0.26 4.57 2.04 -0.92 -1.82 117.51 122.00 1v85 h ILE 77 Ca 0.12 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1v85 h ILE 77 Cb -0.00 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.04 1v85 h ILE 77 CO -0.05 0.00 -0.50 -0.07 0.00 0.00 0.00 178.15 177.52 1v85 h LEU 78 N -1.06 -1.47 -0.33 1.44 -0.00 -0.38 0.32 115.31 113.84 1v85 h LEU 78 Ca -0.08 0.14 0.04 0.00 -0.00 0.00 0.00 57.88 57.98 1v85 h LEU 78 Cb 0.61 0.52 -0.07 0.00 -0.00 0.00 0.00 40.66 41.73 1v85 h LEU 78 CO 0.13 -0.58 -0.48 0.74 -0.00 0.00 0.00 178.44 178.26 1v85 h THR 79 N -0.82 0.00 -0.98 0.22 2.02 -0.57 0.39 112.91 113.17 1v85 h THR 79 Ca -0.03 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.28 1v85 h THR 79 Cb 0.78 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.10 1v85 h THR 79 CO -0.20 0.00 0.62 -0.33 0.37 0.00 0.00 175.52 175.98 1v85 h GLU 80 N -0.36 0.89 -0.40 6.66 4.39 -1.17 0.03 114.58 124.62 1v85 h GLU 80 Ca 0.06 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1v85 h GLU 80 Cb 0.52 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1v85 h GLU 80 CO -0.50 0.59 -0.01 -0.07 -1.16 0.00 0.00 179.01 177.86 1v85 h LEU 81 N 0.91 0.62 -1.68 1.33 3.38 0.18 -1.50 115.31 118.55 1v85 h LEU 81 Ca 0.49 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.29 1v85 h LEU 81 Cb 0.57 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1v85 h LEU 81 CO -0.26 0.69 -0.18 -0.08 0.09 0.00 0.00 178.44 178.70 1v85 h GLU 82 N 0.61 0.00 0.00 1.13 4.81 0.17 -1.31 114.58 120.00 1v85 h GLU 82 Ca 0.12 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1v85 h GLU 82 Cb 0.40 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 1v85 h GLU 82 CO 0.02 0.18 -0.16 0.00 -0.73 0.00 0.00 179.01 178.32 1v85 h ARG 83 N 0.00 0.00 -0.90 1.92 3.08 -1.09 -3.34 114.38 114.04 1v85 h ARG 83 Ca -0.00 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.21 1v85 h ARG 83 Cb 0.34 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.32 1v85 h ARG 83 CO 0.02 0.43 0.58 -0.39 -1.07 0.00 0.00 179.97 179.55 1v85 h VAL 84 N -1.00 0.78 -3.64 2.04 -1.51 -1.27 -3.42 116.25 108.23 1v85 h VAL 84 Ca -0.03 -0.21 -0.23 0.00 -1.23 0.00 0.00 66.70 65.00 1v85 h VAL 84 Cb 0.51 0.10 0.07 0.00 -2.13 0.00 0.00 31.29 29.84 1v85 h VAL 84 CO -0.02 0.11 0.14 -2.11 -1.23 0.00 0.00 177.57 174.47 1v85 n ARG 85 N -4.57 -0.25 -1.84 5.19 1.85 -0.50 -4.80 116.66 111.74 1v85 n ARG 85 Ca 0.18 -1.22 -0.39 0.00 -1.00 0.00 0.00 57.85 55.42 1v85 n ARG 85 Cb 0.54 -0.54 -0.03 0.00 -1.05 0.00 0.00 32.46 31.38 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 -3.33 5.17 0.00 2.89 0.15 -1.26 -4.54 113.70 112.78 1v85 s SER 86 Ca 0.37 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.95 1v85 s SER 86 Cb -0.01 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1v85 s SER 86 CO 0.25 -2.34 0.00 0.61 1.20 0.00 0.00 173.24 172.96 1v85 n GLY 87 N 5.74 -1.38 3.57 9.45 0.00 -1.25 -5.00 105.19 116.32 1v85 n GLY 87 Ca 0.27 0.52 -0.41 0.00 0.00 0.00 0.00 46.02 46.41 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 2.99 -1.80 1.61 0.04 -1.26 -3.71 135.00 132.87 1v85 s PRO 88 Ca 0.00 0.93 -0.19 0.00 0.04 0.00 0.00 61.00 61.78 1v85 s PRO 88 Cb 0.00 -4.28 0.19 0.00 0.04 0.00 0.00 34.50 30.45 1v85 s PRO 88 CO 0.00 -2.29 0.47 0.45 0.04 0.00 0.00 177.00 175.68 1v85 n SER 89 N 11.41 -1.25 -4.14 6.66 2.88 -1.26 -4.90 113.62 123.02 1v85 n SER 89 Ca 0.21 -1.24 -0.13 0.00 -1.33 0.00 0.00 58.87 56.38 1v85 n SER 89 Cb 0.50 -1.58 -0.11 0.00 -0.75 0.00 0.00 64.21 62.27 1v85 n SER 89 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1v85 s SER 90 N -3.46 1.16 0.00 -3.46 0.15 -1.24 -5.21 113.70 101.63 1v85 s SER 90 Ca 0.66 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 56.51 1v85 s SER 90 Cb -0.39 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 1v85 s SER 90 CO 1.01 -0.32 0.46 0.61 1.20 0.00 0.00 173.24 176.20