#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 6.26 0.36 1.61 0.01 -1.26 -5.04 113.70 115.65 1v85 s SER 2 Ca 0.00 -0.72 -0.16 0.00 1.31 0.00 0.00 55.95 56.38 1v85 s SER 2 Cb 0.00 -2.38 -0.09 0.00 0.21 0.00 0.00 66.02 63.76 1v85 s SER 2 CO 0.00 -1.15 0.80 -0.55 0.41 0.00 0.00 173.24 172.76 1v85 s SER 3 N 2.99 6.80 0.00 2.44 0.15 -1.26 -5.02 113.70 119.80 1v85 s SER 3 Ca 0.23 1.39 0.00 0.00 0.70 0.00 0.00 55.95 58.27 1v85 s SER 3 Cb -0.16 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1v85 s SER 3 CO 0.14 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1v85 n GLY 4 N -0.54 -2.15 4.23 9.45 0.00 -1.26 -4.97 105.19 109.95 1v85 n GLY 4 Ca 0.04 1.05 -0.36 0.00 0.00 0.00 0.00 46.02 46.76 1v85 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1v85 n SER 5 N 0.00 -0.94 -4.92 1.61 3.41 -1.26 -4.89 113.62 106.63 1v85 n SER 5 Ca 0.00 -1.14 -0.31 0.00 -0.26 0.00 0.00 58.87 57.16 1v85 n SER 5 Cb 0.00 -1.45 -0.04 0.00 -0.26 0.00 0.00 64.21 62.46 1v85 n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1v85 s SER 6 N -3.39 6.37 0.00 4.04 0.01 -1.26 -4.85 113.70 114.62 1v85 s SER 6 Ca 0.54 0.29 0.00 0.00 1.31 0.00 0.00 55.95 58.09 1v85 s SER 6 Cb -0.32 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 63.95 1v85 s SER 6 CO 0.93 0.15 0.00 0.61 0.41 0.00 0.00 173.24 175.34 1v85 n GLY 7 N 0.20 0.65 3.01 3.44 0.00 -1.26 -5.14 105.19 106.09 1v85 n GLY 7 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 1.96 -0.67 1.61 0.41 -1.26 -5.06 118.70 115.69 1v85 s GLU 8 Ca 0.00 -1.13 -0.26 0.00 -0.41 0.00 0.00 54.97 53.18 1v85 s GLU 8 Cb 0.00 -2.70 -0.05 0.00 -1.78 0.00 0.00 34.13 29.60 1v85 s GLU 8 CO 0.00 -0.56 2.08 -1.58 -0.49 0.00 0.00 175.26 174.71 1v85 s HIS 9 N 1.27 1.49 0.00 1.61 5.65 -1.26 -3.61 115.29 120.43 1v85 s HIS 9 Ca -0.06 1.09 0.00 0.00 0.25 0.00 0.00 55.06 56.33 1v85 s HIS 9 Cb -0.19 -3.88 0.00 0.00 -1.18 0.00 0.00 32.58 27.33 1v85 s HIS 9 CO -0.06 -2.14 0.00 0.41 -0.65 0.00 0.00 174.74 172.30 1v85 n GLY 10 N 6.18 -0.89 0.03 1.59 0.00 -1.26 -4.94 105.19 105.89 1v85 n GLY 10 Ca 0.32 0.38 0.03 0.00 0.00 0.00 0.00 46.02 46.75 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 0.10 0.28 0.99 -0.00 -1.24 -2.79 117.00 114.34 1v85 n LEU 11 Ca 0.00 0.54 -0.16 0.00 -0.00 0.00 0.00 56.01 56.39 1v85 n LEU 11 Cb 0.00 -0.55 -0.08 0.00 -0.00 0.00 0.00 43.42 42.79 1v85 n LEU 11 CO 0.00 -0.52 0.64 -0.07 -0.00 0.00 0.00 177.39 177.44 1v85 h LEU 12 N 0.00 -0.87 -1.11 1.47 -0.00 -1.87 0.31 115.31 113.24 1v85 h LEU 12 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 1v85 h LEU 12 Cb 0.06 0.27 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 1v85 h LEU 12 CO 0.00 -0.51 0.00 -0.37 -0.00 0.00 0.00 178.44 177.56 1v85 h VAL 13 N -0.79 0.00 0.00 1.22 -1.51 -1.80 -2.42 116.25 110.94 1v85 h VAL 13 Ca -0.05 -0.27 -0.20 0.00 -1.23 0.00 0.00 66.70 64.94 1v85 h VAL 13 Cb 0.67 1.07 -0.03 0.00 -2.13 0.00 0.00 31.29 30.86 1v85 h VAL 13 CO 0.02 0.00 -1.23 0.45 -1.23 0.00 0.00 177.57 175.58 1v85 h HIS 14 N 0.00 0.00 -3.48 5.19 3.86 -1.41 -3.45 115.15 115.87 1v85 h HIS 14 Ca 0.00 0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.57 1v85 h HIS 14 Cb 0.35 0.00 -0.22 0.00 1.06 0.00 0.00 27.41 28.59 1v85 h HIS 14 CO 0.00 0.79 -0.65 0.21 0.86 0.00 0.00 177.93 179.14 1v85 s LYS 15 N -2.78 3.65 0.17 2.45 2.20 0.10 -5.06 119.74 120.46 1v85 s LYS 15 Ca -0.01 -0.50 -0.32 0.00 -0.36 0.00 0.00 55.97 54.78 1v85 s LYS 15 Cb 0.09 -3.15 -0.16 0.00 -1.51 0.00 0.00 37.83 33.09 1v85 s LYS 15 CO 0.81 -0.03 0.99 0.00 -0.36 0.00 0.00 175.35 176.75 1v85 n ALA 16 N 4.39 -1.58 0.05 3.13 0.00 -1.26 -4.80 120.51 120.45 1v85 n ALA 16 Ca -0.17 0.47 0.01 0.00 0.00 0.00 0.00 53.44 53.75 1v85 n ALA 16 Cb 0.52 -1.90 0.35 0.00 0.00 0.00 0.00 19.45 18.42 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 2.26 1.18 0.00 0.00 2.07 -1.84 -1.39 116.25 118.52 1v85 h VAL 17 Ca -0.40 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1v85 h VAL 17 Cb 1.38 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1v85 h VAL 17 CO 0.65 0.24 0.00 -0.90 0.02 0.00 0.00 177.57 177.58 1v85 n ASP 18 N -4.30 0.00 -0.34 0.57 5.75 -1.26 -0.76 116.55 116.21 1v85 n ASP 18 Ca 0.01 0.16 0.04 0.00 -0.01 0.00 0.00 54.79 54.99 1v85 n ASP 18 Cb 0.23 -0.27 0.04 0.00 -1.03 0.00 0.00 41.12 40.10 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 -1.27 0.47 -1.12 0.11 4.01 -0.53 -3.54 118.16 116.29 1v85 n LYS 19 Ca 0.04 -1.09 -0.31 0.00 -0.51 0.00 0.00 58.31 56.43 1v85 n LYS 19 Cb 0.06 -1.16 0.12 0.00 -0.51 0.00 0.00 35.03 33.53 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 2.32 0.21 2.13 0.52 0.06 -4.95 118.94 118.52 1v85 s TRP 20 Ca 0.10 1.55 0.07 0.00 0.02 0.00 0.00 56.10 57.85 1v85 s TRP 20 Cb 0.07 -3.12 -0.04 0.00 -1.15 0.00 0.00 33.47 29.23 1v85 s TRP 20 CO 0.10 -2.13 0.07 0.95 0.02 0.00 0.00 176.95 175.97 1v85 s THR 21 N -2.85 4.00 0.56 2.01 -4.23 -1.26 -3.10 115.64 110.77 1v85 s THR 21 Ca 0.63 -1.44 0.50 0.00 -1.18 0.00 0.00 61.69 60.20 1v85 s THR 21 Cb -0.19 -3.08 0.74 0.00 1.34 0.00 0.00 72.50 71.32 1v85 s THR 21 CO 0.57 -0.21 1.57 0.74 -0.54 0.00 0.00 174.62 176.74 1v85 h THR 22 N 2.04 0.01 0.10 3.99 2.02 -1.90 0.22 112.91 119.39 1v85 h THR 22 Ca -0.47 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 1v85 h THR 22 Cb 1.22 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1v85 h THR 22 CO 0.60 0.00 -0.05 -0.08 0.37 0.00 0.00 175.52 176.36 1v85 h GLU 23 N 0.00 -0.13 -0.89 6.66 4.81 -1.93 -3.25 114.58 119.84 1v85 h GLU 23 Ca 0.94 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 60.33 1v85 h GLU 23 Cb 3.78 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 33.09 1v85 h GLU 23 CO -0.01 -0.01 0.48 0.93 -0.73 0.00 0.00 179.01 179.67 1v85 h GLU 24 N -1.03 0.65 -0.50 1.92 5.08 -1.07 -0.41 114.58 119.23 1v85 h GLU 24 Ca -0.01 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.40 1v85 h GLU 24 Cb 0.18 -0.15 -0.08 0.00 0.50 0.00 0.00 28.75 29.21 1v85 h GLU 24 CO 0.02 0.43 0.01 0.28 -1.00 0.00 0.00 179.01 178.75 1v85 h VAL 25 N 0.67 0.61 -0.23 3.13 2.07 -1.00 0.89 116.25 122.40 1v85 h VAL 25 Ca 0.49 -0.04 -0.16 0.00 0.82 0.00 0.00 66.70 67.81 1v85 h VAL 25 Cb 0.71 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1v85 h VAL 25 CO -0.37 0.02 -0.52 0.58 0.02 0.00 0.00 177.57 177.31 1v85 h VAL 26 N 0.12 1.30 0.02 2.57 2.07 -1.24 -2.82 116.25 118.27 1v85 h VAL 26 Ca 0.25 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 66.04 1v85 h VAL 26 Cb 0.38 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1v85 h VAL 26 CO -0.42 0.55 -0.04 -0.07 0.02 0.00 0.00 177.57 177.62 1v85 h LEU 27 N 0.51 -0.09 -0.82 2.57 3.38 -0.05 0.64 115.31 121.44 1v85 h LEU 27 Ca 0.02 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1v85 h LEU 27 Cb 1.08 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.82 1v85 h LEU 27 CO 0.10 -0.06 0.54 -0.25 0.09 0.00 0.00 178.44 178.86 1v85 h TRP 28 N -0.07 1.01 0.00 1.13 7.01 -0.89 -1.85 115.95 122.28 1v85 h TRP 28 Ca 0.01 0.03 -0.12 0.00 2.11 0.00 0.00 58.89 60.91 1v85 h TRP 28 Cb 0.08 -0.34 -0.02 0.00 -2.10 0.00 0.00 29.16 26.78 1v85 h TRP 28 CO -0.10 0.61 -0.58 1.25 -2.79 0.00 0.00 178.44 176.84 1v85 h LEU 29 N 1.07 0.00 0.00 0.65 5.85 -1.21 -2.80 115.31 118.87 1v85 h LEU 29 Ca 0.32 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.04 1v85 h LEU 29 Cb -0.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1v85 h LEU 29 CO -0.09 0.58 0.00 -0.62 -0.34 0.00 0.00 178.44 177.97 1v85 n GLU 30 N -3.64 0.89 -0.03 1.25 1.02 0.22 -2.86 120.64 117.49 1v85 n GLU 30 Ca -0.01 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 1v85 n GLU 30 Cb 0.62 -1.16 -0.08 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 -0.66 1.49 0.21 3.49 6.02 -1.06 -4.51 117.38 122.37 1v85 n GLN 31 Ca 0.07 -0.05 0.06 0.00 -0.01 0.00 0.00 57.00 57.07 1v85 n GLN 31 Cb 0.03 -1.26 0.48 0.00 1.02 0.00 0.00 30.24 30.51 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 -1.56 -3.47 115.31 114.74 1v85 h LEU 32 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1v85 h LEU 32 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1v85 h LEU 32 CO 0.01 0.26 0.00 0.61 0.09 0.00 0.00 178.44 179.41 1v85 n GLY 33 N -0.61 0.84 0.24 0.83 0.00 -1.26 -5.01 105.19 100.23 1v85 n GLY 33 Ca -0.02 -0.80 0.12 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 -1.91 -2.70 132.00 129.14 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 0.16 0.00 0.11 -0.23 0.00 0.00 178.00 178.04 1v85 h TRP 35 N 0.00 0.00 -0.07 1.56 5.08 -1.94 -2.65 115.95 117.93 1v85 h TRP 35 Ca -0.00 0.00 0.02 0.00 1.08 0.00 0.00 58.89 59.99 1v85 h TRP 35 Cb 0.61 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.77 1v85 h TRP 35 CO 0.00 0.00 0.06 0.00 -1.28 0.00 0.00 178.44 177.22 1v85 h ALA 36 N 2.11 1.77 0.00 0.11 0.00 -1.73 0.99 119.26 122.51 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 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1v85 h ALA 36 CO 0.00 -0.09 0.00 0.45 0.00 0.00 0.00 179.25 179.61 1v85 n SER 37 N -4.07 0.04 0.02 0.00 2.88 -1.00 -0.11 113.62 111.38 1v85 n SER 37 Ca -0.01 0.51 0.13 0.00 -1.33 0.00 0.00 58.87 58.16 1v85 n SER 37 Cb 0.16 -0.52 0.37 0.00 -0.75 0.00 0.00 64.21 63.47 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 -1.54 0.41 0.00 2.46 4.77 0.34 -4.18 117.00 119.26 1v85 n LEU 38 Ca 0.04 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1v85 n LEU 38 Cb 0.18 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1v85 n LEU 38 CO 0.14 0.02 -0.40 -1.22 -1.33 0.00 0.00 177.39 174.61 1v85 n TYR 39 N -1.70 0.00 -0.30 -1.77 4.01 -0.80 -4.79 117.16 111.81 1v85 n TYR 39 Ca 0.06 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.82 1v85 n TYR 39 Cb 0.37 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.48 1v85 n TYR 39 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 1v85 n ARG 40 N -1.78 -0.12 -0.29 -0.72 1.85 0.84 0.17 116.66 116.60 1v85 n ARG 40 Ca 0.00 1.26 0.12 0.00 -1.00 0.00 0.00 57.85 58.23 1v85 n ARG 40 Cb 0.40 -1.88 0.28 0.00 -1.05 0.00 0.00 32.46 30.20 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 0.04 -0.74 2.89 3.32 -1.84 0.48 116.42 120.57 1v85 h ASP 41 Ca 0.35 0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.58 1v85 h ASP 41 Cb 0.55 0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.31 1v85 h ASP 41 CO -0.83 -0.12 0.44 0.03 -1.72 0.00 0.00 179.24 177.04 1v85 h ARG 42 N 0.24 1.02 0.72 3.56 3.08 0.13 -1.32 114.38 121.81 1v85 h ARG 42 Ca 0.54 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.45 1v85 h ARG 42 Cb 1.05 -0.21 0.01 0.00 0.08 0.00 0.00 29.97 30.90 1v85 h ARG 42 CO -0.62 0.73 -0.35 0.74 -1.07 0.00 0.00 179.97 179.40 1v85 h PHE 43 N 1.04 -0.90 0.46 3.04 -1.00 0.22 -0.02 116.94 119.78 1v85 h PHE 43 Ca 0.27 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 61.02 1v85 h PHE 43 Cb -0.02 0.30 -0.02 0.00 3.61 0.00 0.00 35.95 39.81 1v85 h PHE 43 CO 0.00 -0.54 -0.47 -0.07 -1.61 0.00 0.00 178.31 175.63 1v85 h LEU 44 N -1.08 -1.29 -0.36 1.54 -0.00 -1.26 0.80 115.31 113.67 1v85 h LEU 44 Ca -0.10 0.11 0.08 0.00 -0.00 0.00 0.00 57.88 57.96 1v85 h LEU 44 Cb 0.77 0.43 -0.09 0.00 -0.00 0.00 0.00 40.66 41.77 1v85 h LEU 44 CO 0.16 -0.63 -0.27 -1.28 -0.00 0.00 0.00 178.44 176.42 1v85 h SER 45 N -0.94 -0.90 0.00 -0.43 0.87 -1.30 0.57 113.55 111.41 1v85 h SER 45 Ca -0.05 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1v85 h SER 45 Cb 0.83 0.44 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1v85 h SER 45 CO -0.07 -0.29 0.00 -0.62 -0.53 0.00 0.00 176.83 175.32 1v85 n GLU 46 N -5.40 0.91 -4.25 2.24 -0.58 -0.02 -4.87 120.64 108.67 1v85 n GLU 46 Ca 0.01 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.40 1v85 n GLU 46 Cb 0.32 -1.29 -0.05 0.00 -0.57 0.00 0.00 31.44 29.85 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 -0.79 -2.43 -2.26 3.49 5.12 0.24 -4.80 116.66 115.23 1v85 n ARG 47 Ca 0.13 0.30 -0.34 0.00 -1.93 0.00 0.00 57.85 56.00 1v85 n ARG 47 Cb 0.06 -4.72 -0.04 0.00 -1.16 0.00 0.00 32.46 26.60 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 -3.56 3.61 0.96 1.55 1.01 0.11 -4.89 120.40 119.19 1v85 s VAL 48 Ca 0.52 -0.33 -0.15 0.00 0.00 0.00 0.00 61.98 62.02 1v85 s VAL 48 Cb -0.29 -4.42 0.18 0.00 0.00 0.00 0.00 36.38 31.85 1v85 s VAL 48 CO 0.95 -1.35 1.23 0.54 0.00 0.00 0.00 175.10 176.47 1v85 s ASN 49 N 6.64 3.14 0.11 3.32 4.22 -1.26 -4.67 114.94 126.44 1v85 s ASN 49 Ca 0.58 0.55 -0.31 0.00 -2.14 0.00 0.00 52.86 51.54 1v85 s ASN 49 Cb -0.06 -0.80 -0.10 0.00 1.28 0.00 0.00 41.25 41.57 1v85 s ASN 49 CO 0.01 -2.74 1.59 1.23 -2.04 0.00 0.00 177.10 175.15 1v85 h GLY 50 N -1.64 -0.84 -0.84 0.45 0.00 -1.71 0.31 103.07 98.80 1v85 h GLY 50 Ca -0.46 0.51 0.39 0.00 0.00 0.00 0.00 47.33 47.77 1v85 h GLY 50 CO 0.47 -0.26 0.72 -0.09 0.00 0.00 0.00 176.54 177.37 1v85 h ARG 51 N -0.64 0.16 0.16 4.80 1.12 -1.61 0.72 114.38 119.09 1v85 h ARG 51 Ca 0.02 -0.01 -0.30 0.00 -1.11 0.00 0.00 59.98 58.58 1v85 h ARG 51 Cb 0.68 -0.04 0.01 0.00 -0.01 0.00 0.00 29.97 30.61 1v85 h ARG 51 CO -0.26 0.11 -1.43 1.25 -3.11 0.00 0.00 179.97 176.53 1v85 h LEU 52 N 0.17 0.53 -1.70 3.80 5.85 -1.59 -3.19 115.31 119.19 1v85 h LEU 52 Ca 0.78 -0.62 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1v85 h LEU 52 Cb 2.19 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 43.03 1v85 h LEU 52 CO -0.50 1.50 0.15 0.25 -0.34 0.00 0.00 178.44 179.49 1v85 h LEU 53 N 0.09 0.31 0.01 2.25 6.46 0.41 -2.06 115.31 122.78 1v85 h LEU 53 Ca -0.21 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.53 1v85 h LEU 53 Cb 2.04 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.90 1v85 h LEU 53 CO 0.21 0.25 -0.01 -0.07 -0.62 0.00 0.00 178.44 178.20 1v85 h LEU 54 N 0.35 -0.01 -1.21 2.25 3.38 -1.03 -3.23 115.31 115.81 1v85 h LEU 54 Ca 0.09 -0.60 0.13 0.00 0.09 0.00 0.00 57.88 57.59 1v85 h LEU 54 Cb 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 1v85 h LEU 54 CO -0.02 0.60 0.59 0.71 0.09 0.00 0.00 178.44 180.41 1v85 h THR 55 N -0.63 0.87 -2.64 0.22 1.35 -1.47 -3.42 112.91 107.19 1v85 h THR 55 Ca -0.00 -0.27 -0.57 0.00 -0.55 0.00 0.00 66.41 65.02 1v85 h THR 55 Cb 0.61 0.02 0.07 0.00 -1.73 0.00 0.00 68.15 67.12 1v85 h THR 55 CO 0.00 0.14 0.75 0.18 -0.25 0.00 0.00 175.52 176.34 1v85 n LEU 56 N -4.57 3.37 -4.67 3.87 4.77 -0.80 -5.00 117.00 113.97 1v85 n LEU 56 Ca 0.17 1.12 -0.23 0.00 -0.03 0.00 0.00 56.01 57.04 1v85 n LEU 56 Cb 0.42 -1.47 -0.07 0.00 -2.33 0.00 0.00 43.42 39.97 1v85 n LEU 56 CO 0.29 -0.27 -0.28 0.42 -1.33 0.00 0.00 177.39 176.22 1v85 s THR 57 N 0.36 3.26 0.24 -5.08 -4.23 -1.26 -4.95 115.64 103.98 1v85 s THR 57 Ca 0.72 -1.85 0.05 0.00 -1.18 0.00 0.00 61.69 59.43 1v85 s THR 57 Cb -0.62 -2.89 0.29 0.00 1.34 0.00 0.00 72.50 70.62 1v85 s THR 57 CO 0.44 -0.30 1.15 1.21 -0.54 0.00 0.00 174.62 176.58 1v85 n GLU 58 N -0.98 -0.05 0.00 3.99 2.13 -1.26 -0.96 120.64 123.51 1v85 n GLU 58 Ca -0.05 1.07 0.00 0.00 0.66 0.00 0.00 57.16 58.84 1v85 n GLU 58 Cb 0.60 -1.77 0.00 0.00 0.27 0.00 0.00 31.44 30.54 1v85 n GLU 58 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1v85 n GLU 59 N -4.91 0.00 -0.28 5.31 4.71 -1.26 -2.13 120.64 122.08 1v85 n GLU 59 Ca 0.20 0.45 0.27 0.00 -0.01 0.00 0.00 57.16 58.07 1v85 n GLU 59 Cb 0.67 -1.44 0.50 0.00 -1.01 0.00 0.00 31.44 30.16 1v85 n GLU 59 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1v85 n GLU 60 N -1.84 -0.05 -0.25 3.49 -0.58 -0.13 0.23 120.64 121.50 1v85 n GLU 60 Ca 0.00 1.22 -0.06 0.00 -0.42 0.00 0.00 57.16 57.90 1v85 n GLU 60 Cb 0.00 -2.17 0.05 0.00 -0.57 0.00 0.00 31.44 28.75 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 0.95 -0.03 -0.32 0.04 -1.11 -1.52 116.94 114.95 1v85 h PHE 61 Ca 0.73 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.48 1v85 h PHE 61 Cb 1.91 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 39.76 1v85 h PHE 61 CO -0.04 0.67 0.00 0.45 -0.60 0.00 0.00 178.31 178.79 1v85 n SER 62 N -4.50 0.81 -4.68 2.17 2.88 0.61 -0.10 113.62 110.81 1v85 n SER 62 Ca 0.06 -1.33 -0.32 0.00 -1.33 0.00 0.00 58.87 55.94 1v85 n SER 62 Cb 0.09 -0.01 -0.09 0.00 -0.75 0.00 0.00 64.21 63.45 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 -1.98 2.72 0.63 -1.46 1.81 0.11 -3.88 118.95 116.91 1v85 s ARG 63 Ca 0.40 -0.66 -0.17 0.00 -1.72 0.00 0.00 55.73 53.57 1v85 s ARG 63 Cb 0.20 -2.63 -0.06 0.00 -0.45 0.00 0.00 34.95 32.01 1v85 s ARG 63 CO 0.33 0.61 0.62 0.00 -0.68 0.00 0.00 175.30 176.18 1v85 n ALA 64 N 1.25 -0.98 -0.09 2.13 0.00 -1.26 -0.25 120.51 121.31 1v85 n ALA 64 Ca -0.14 -0.09 -0.13 0.00 0.00 0.00 0.00 53.44 53.08 1v85 n ALA 64 Cb 0.52 -1.90 -0.04 0.00 0.00 0.00 0.00 19.45 18.03 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 0.08 0.68 -0.88 0.00 0.13 -1.96 -3.42 132.00 126.63 1v85 h PRO 65 Ca -0.46 -0.36 0.31 0.00 -0.87 0.00 0.00 66.00 64.62 1v85 h PRO 65 Cb 1.38 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.36 1v85 h PRO 65 CO 0.46 0.97 0.26 0.66 -0.23 0.00 0.00 178.00 180.12 1v85 n TYR 66 N -4.28 0.81 -2.81 1.56 4.01 -1.15 -4.65 117.16 110.65 1v85 n TYR 66 Ca -0.04 1.06 -0.18 0.00 -0.16 0.00 0.00 57.90 58.57 1v85 n TYR 66 Cb 0.46 -1.32 -0.03 0.00 -0.31 0.00 0.00 39.34 38.14 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 -5.14 0.00 -1.52 -0.72 5.66 0.65 -4.53 114.28 108.69 1v85 n THR 67 Ca 0.27 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 61.03 1v85 n THR 67 Cb 0.92 -0.21 -0.17 0.00 -1.55 0.00 0.00 70.33 69.32 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 -2.18 -0.01 -0.74 1.09 5.41 0.85 -4.72 119.36 119.07 1v85 n ILE 68 Ca 0.05 -0.43 -0.09 0.00 1.00 0.00 0.00 62.75 63.28 1v85 n ILE 68 Cb 0.25 -0.74 0.01 0.00 -0.71 0.00 0.00 39.64 38.44 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 1.46 -3.41 0.38 1.02 -1.26 -4.38 120.64 121.50 1v85 n GLU 69 Ca 0.61 -0.85 -0.14 0.00 -0.02 0.00 0.00 57.16 56.76 1v85 n GLU 69 Cb 0.21 -1.36 -0.10 0.00 -0.02 0.00 0.00 31.44 30.17 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 1.08 0.90 0.08 1.62 2.47 -1.26 -5.05 114.94 114.77 1v85 s ASN 70 Ca 0.19 -0.14 -0.35 0.00 0.42 0.00 0.00 52.86 52.98 1v85 s ASN 70 Cb 0.14 0.75 -0.17 0.00 -1.45 0.00 0.00 41.25 40.52 1v85 s ASN 70 CO -0.01 -0.33 1.54 0.28 -3.72 0.00 0.00 177.10 174.86 1v85 h SER 71 N 8.24 -1.29 -0.71 -4.21 0.02 -2.01 -2.52 113.55 111.07 1v85 h SER 71 Ca -0.17 0.09 0.21 0.00 -0.84 0.00 0.00 61.79 61.09 1v85 h SER 71 Cb 1.14 0.41 -0.13 0.00 0.14 0.00 0.00 62.40 63.96 1v85 h SER 71 CO 0.29 -0.68 0.08 -1.20 -1.14 0.00 0.00 176.83 174.17 1v85 n SER 72 N -5.43 -0.03 0.34 3.07 7.64 -1.26 0.94 113.62 118.89 1v85 n SER 72 Ca -0.13 1.21 -0.17 0.00 1.01 0.00 0.00 58.87 60.79 1v85 n SER 72 Cb 0.46 -0.46 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1v85 n SER 72 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1v85 h HIS 73 N 0.00 -0.77 -0.70 1.43 3.86 -1.88 -2.05 115.15 115.03 1v85 h HIS 73 Ca 0.46 -0.02 0.12 0.00 -1.16 0.00 0.00 60.37 59.78 1v85 h HIS 73 Cb 1.01 0.26 -0.09 0.00 1.06 0.00 0.00 27.41 29.65 1v85 h HIS 73 CO -0.31 -0.48 0.27 0.00 0.86 0.00 0.00 177.93 178.28 1v85 h ARG 74 N -0.83 0.42 0.34 2.45 3.08 0.74 -0.56 114.38 120.03 1v85 h ARG 74 Ca -0.08 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 1v85 h ARG 74 Cb 0.64 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 1v85 h ARG 74 CO 0.14 0.28 -0.42 -0.09 -1.07 0.00 0.00 179.97 178.81 1v85 h ARG 75 N 0.44 -0.77 0.21 0.04 9.65 -0.92 0.09 114.38 123.12 1v85 h ARG 75 Ca 0.37 0.05 0.01 0.00 -1.10 0.00 0.00 59.98 59.32 1v85 h ARG 75 Cb 0.52 0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 29.24 1v85 h ARG 75 CO -0.36 -0.51 -0.35 0.28 2.80 0.00 0.00 179.97 181.83 1v85 h VAL 76 N -0.80 0.28 0.00 0.20 2.07 -0.86 0.07 116.25 117.21 1v85 h VAL 76 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1v85 h VAL 76 Cb 0.73 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1v85 h VAL 76 CO -0.11 0.00 0.00 -0.38 0.02 0.00 0.00 177.57 177.10 1v85 n ILE 77 N -5.44 0.00 -0.28 4.57 5.41 -0.27 -0.29 119.36 123.06 1v85 n ILE 77 Ca -0.08 1.31 -0.10 0.00 1.00 0.00 0.00 62.75 64.88 1v85 n ILE 77 Cb 0.35 -2.09 -0.08 0.00 -0.71 0.00 0.00 39.64 37.10 1v85 n ILE 77 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1v85 h LEU 78 N 0.00 -1.74 -0.40 1.39 -0.00 -1.02 0.19 115.31 113.74 1v85 h LEU 78 Ca 0.00 0.25 0.04 0.00 -0.00 0.00 0.00 57.88 58.18 1v85 h LEU 78 Cb 0.00 0.75 -0.07 0.00 -0.00 0.00 0.00 40.66 41.34 1v85 h LEU 78 CO 0.00 -0.23 -0.44 0.74 -0.00 0.00 0.00 178.44 178.50 1v85 h THR 79 N -0.10 0.00 -0.92 0.22 2.02 -0.92 0.17 112.91 113.39 1v85 h THR 79 Ca 0.11 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.48 1v85 h THR 79 Cb 0.39 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.69 1v85 h THR 79 CO -0.70 0.00 0.48 -0.33 0.37 0.00 0.00 175.52 175.34 1v85 h GLU 80 N -0.26 0.56 -0.86 6.66 4.39 0.30 0.11 114.58 125.48 1v85 h GLU 80 Ca 0.07 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 1v85 h GLU 80 Cb 0.44 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 1v85 h GLU 80 CO -0.51 0.37 0.46 1.25 -1.16 0.00 0.00 179.01 179.42 1v85 h LEU 81 N 0.58 1.09 -2.23 1.33 5.85 0.18 -1.05 115.31 121.06 1v85 h LEU 81 Ca 0.54 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.15 1v85 h LEU 81 Cb 0.91 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1v85 h LEU 81 CO -0.43 0.89 0.00 -0.08 -0.34 0.00 0.00 178.44 178.47 1v85 h GLU 82 N 1.21 0.00 0.00 1.25 4.81 0.19 -0.55 114.58 121.49 1v85 h GLU 82 Ca 0.30 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.48 1v85 h GLU 82 Cb 0.05 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1v85 h GLU 82 CO -0.05 0.00 -0.85 0.54 -0.73 0.00 0.00 179.01 177.93 1v85 n ARG 83 N -2.68 0.49 -0.33 1.92 1.74 -0.48 -2.98 116.66 114.34 1v85 n ARG 83 Ca -0.02 0.43 0.11 0.00 -0.77 0.00 0.00 57.85 57.60 1v85 n ARG 83 Cb 0.06 -1.62 0.31 0.00 -1.02 0.00 0.00 32.46 30.19 1v85 n ARG 83 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 1v85 h VAL 84 N -1.00 0.83 -0.02 1.55 -1.51 -1.19 -2.08 116.25 112.83 1v85 h VAL 84 Ca -0.08 -0.28 -0.10 0.00 -1.23 0.00 0.00 66.70 65.00 1v85 h VAL 84 Cb 0.80 -0.06 0.01 0.00 -2.13 0.00 0.00 31.29 29.90 1v85 h VAL 84 CO -0.05 0.15 -0.38 0.08 -1.23 0.00 0.00 177.57 176.14 1v85 h ARG 85 N 0.82 0.30 -7.25 5.19 0.11 -1.31 -3.43 114.38 108.82 1v85 h ARG 85 Ca 0.50 -0.29 -0.41 0.00 0.10 0.00 0.00 59.98 59.88 1v85 h ARG 85 Cb 0.69 0.08 0.20 0.00 1.11 0.00 0.00 29.97 32.04 1v85 h ARG 85 CO -0.27 0.97 0.04 0.45 0.10 0.00 0.00 179.97 181.26 1v85 s SER 86 N -6.47 0.30 0.23 0.08 0.15 -0.78 -4.89 113.70 102.31 1v85 s SER 86 Ca -0.14 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.32 1v85 s SER 86 Cb 0.03 -1.16 0.00 0.00 -1.71 0.00 0.00 66.02 63.17 1v85 s SER 86 CO 0.78 -4.52 0.00 0.61 1.20 0.00 0.00 173.24 171.30 1v85 n GLY 87 N 0.00 0.27 3.67 9.45 0.00 -1.26 -4.90 105.19 112.43 1v85 n GLY 87 Ca 0.12 -1.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.24 0.29 -0.15 1.61 0.04 -1.26 -4.98 135.00 130.30 1v85 s PRO 88 Ca 0.00 0.48 -0.04 0.00 0.04 0.00 0.00 61.00 61.47 1v85 s PRO 88 Cb 0.00 -1.72 0.06 0.00 0.04 0.00 0.00 34.50 32.88 1v85 s PRO 88 CO 0.00 -2.82 0.11 -1.12 0.04 0.00 0.00 177.00 173.21 1v85 s SER 89 N -3.45 1.98 -0.02 6.66 0.01 -1.26 -5.11 113.70 112.50 1v85 s SER 89 Ca 0.66 -0.43 -0.39 0.00 1.31 0.00 0.00 55.95 57.10 1v85 s SER 89 Cb -0.19 -0.11 -0.18 0.00 0.21 0.00 0.00 66.02 65.75 1v85 s SER 89 CO 0.58 -0.33 1.30 -0.24 0.41 0.00 0.00 173.24 174.96 1v85 n SER 90 N 5.29 1.10 0.00 2.44 2.88 -1.26 -5.34 113.62 118.73 1v85 n SER 90 Ca -0.06 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 1v85 n SER 90 Cb 0.49 -1.07 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 1v85 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42