#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v86 n SER 2 N 0.00 0.00 -0.94 1.61 7.64 -1.26 -5.16 113.62 115.50 1v86 n SER 2 Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.95 1v86 n SER 2 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1v86 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1v86 n SER 3 N 0.00 -5.11 -3.58 6.43 2.88 -1.26 -5.02 113.62 107.97 1v86 n SER 3 Ca 0.00 1.03 -0.12 0.00 -1.33 0.00 0.00 58.87 58.46 1v86 n SER 3 Cb 0.00 -3.03 0.03 0.00 -0.75 0.00 0.00 64.21 60.46 1v86 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v86 n GLY 4 N -2.99 2.21 3.74 0.46 0.00 -1.26 -5.15 105.19 102.20 1v86 n GLY 4 Ca -0.04 -2.20 -0.07 0.00 0.00 0.00 0.00 46.02 43.71 1v86 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v86 s SER 5 N -2.90 -0.31 0.43 1.61 0.15 -1.26 -5.14 113.70 106.28 1v86 s SER 5 Ca 0.29 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.51 1v86 s SER 5 Cb -0.02 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 1v86 s SER 5 CO 0.18 -1.17 0.00 -1.20 1.20 0.00 0.00 173.24 172.25 1v86 n SER 6 N -0.44 -6.02 0.00 5.45 7.64 -1.26 -5.10 113.62 113.90 1v86 n SER 6 Ca -0.07 1.31 0.00 0.00 1.01 0.00 0.00 58.87 61.12 1v86 n SER 6 Cb 0.61 -3.39 0.00 0.00 -1.01 0.00 0.00 64.21 60.42 1v86 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v86 n GLY 7 N -2.47 3.32 0.00 0.23 0.00 -1.26 -5.19 105.19 99.83 1v86 n GLY 7 Ca -0.01 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1v86 n GLY 7 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1v86 n ASP 8 N 0.00 0.00 -3.65 1.61 2.03 -1.26 -5.18 116.55 110.11 1v86 n ASP 8 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 1v86 n ASP 8 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 1v86 n ASP 8 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1v86 s ALA 9 N -2.00 -2.40 0.00 -1.67 0.00 -1.26 -5.18 121.76 109.25 1v86 s ALA 9 Ca 0.00 1.92 0.00 0.00 0.00 0.00 0.00 51.96 53.88 1v86 s ALA 9 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.30 1v86 s ALA 9 CO 0.00 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1v86 n GLY 10 N 2.64 2.49 0.00 0.00 0.00 -1.26 -5.17 105.19 103.89 1v86 n GLY 10 Ca -0.15 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1v86 n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v86 n GLY 11 N -0.88 3.23 0.00 -0.02 0.00 -1.26 -5.18 105.19 101.08 1v86 n GLY 11 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1v86 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v86 n GLY 12 N 0.00 0.71 3.13 -0.02 0.00 -1.26 -4.99 105.19 102.76 1v86 n GLY 12 Ca 0.00 -1.59 -0.25 0.00 0.00 0.00 0.00 46.02 44.18 1v86 n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v86 s VAL 13 N -2.47 1.35 0.00 1.61 0.11 -1.26 -4.94 120.40 114.81 1v86 s VAL 13 Ca 0.00 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 58.35 1v86 s VAL 13 Cb 0.00 -1.15 0.00 0.00 -1.53 0.00 0.00 36.38 33.70 1v86 s VAL 13 CO 0.00 0.39 0.00 0.61 -3.33 0.00 0.00 175.10 172.77 1v86 n GLY 14 N 2.97 1.27 0.00 6.54 0.00 -1.26 -4.97 105.19 109.73 1v86 n GLY 14 Ca -0.17 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1v86 n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1v86 n LYS 15 N 0.00 1.72 -3.04 1.61 5.02 -1.26 -5.11 118.16 117.10 1v86 n LYS 15 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 1v86 n LYS 15 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 1v86 n LYS 15 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1v86 s GLU 16 N 1.83 4.10 0.54 1.97 2.12 -1.26 -4.98 118.70 123.02 1v86 s GLU 16 Ca 0.00 0.63 -0.18 0.00 0.36 0.00 0.00 54.97 55.78 1v86 s GLU 16 Cb 0.00 -3.66 -0.13 0.00 0.26 0.00 0.00 34.13 30.60 1v86 s GLU 16 CO 0.00 -0.47 0.05 1.28 -0.54 0.00 0.00 175.26 175.58 1v86 n LEU 17 N 5.83 -2.43 -4.83 2.70 7.99 -1.26 -4.91 117.00 120.09 1v86 n LEU 17 Ca 0.01 0.66 -0.37 0.00 -0.01 0.00 0.00 56.01 56.31 1v86 n LEU 17 Cb 0.48 -0.94 -0.06 0.00 -0.11 0.00 0.00 43.42 42.79 1v86 n LEU 17 CO 0.45 -4.32 0.27 0.54 -1.51 0.00 0.00 177.39 172.82 1v86 s VAL 18 N -1.92 4.78 -0.18 4.08 0.11 0.49 -4.72 120.40 123.04 1v86 s VAL 18 Ca 0.60 1.04 -0.29 0.00 -2.93 0.00 0.00 61.98 60.40 1v86 s VAL 18 Cb -0.47 -3.82 -0.00 0.00 -1.53 0.00 0.00 36.38 30.56 1v86 s VAL 18 CO 0.63 0.37 1.00 -1.81 -3.33 0.00 0.00 175.10 171.96 1v86 s ASP 19 N -1.45 7.13 -0.02 3.54 1.11 -1.26 -2.31 116.67 123.40 1v86 s ASP 19 Ca 0.35 1.40 0.07 0.00 0.18 0.00 0.00 52.55 54.54 1v86 s ASP 19 Cb -0.17 -2.53 -0.02 0.00 1.07 0.00 0.00 42.92 41.27 1v86 s ASP 19 CO 0.19 -0.56 -0.22 -0.76 1.18 0.00 0.00 175.17 175.00 1v86 s LEU 20 N 2.65 2.04 -0.31 1.23 1.43 -0.98 -1.30 118.68 123.42 1v86 s LEU 20 Ca 0.45 -0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 52.99 1v86 s LEU 20 Cb -0.16 -1.16 -0.02 0.00 0.03 0.00 0.00 46.19 44.87 1v86 s LEU 20 CO 0.11 0.27 0.35 -0.54 0.23 0.00 0.00 176.35 176.77 1v86 s LYS 21 N -0.46 3.74 -1.12 1.70 1.02 -1.21 -3.10 119.74 120.32 1v86 s LYS 21 Ca 0.07 -0.26 -0.19 0.00 0.02 0.00 0.00 55.97 55.61 1v86 s LYS 21 Cb -0.09 -3.74 0.10 0.00 -0.52 0.00 0.00 37.83 33.57 1v86 s LYS 21 CO -0.00 -0.42 1.46 0.42 -0.92 0.00 0.00 175.35 175.89 1v86 s ILE 22 N 2.02 4.36 -0.05 2.17 -1.09 -1.19 -2.35 121.20 125.07 1v86 s ILE 22 Ca 0.12 -1.62 -0.30 0.00 -2.23 0.00 0.00 60.65 56.62 1v86 s ILE 22 Cb -0.16 -5.01 -0.02 0.00 -1.58 0.00 0.00 42.46 35.68 1v86 s ILE 22 CO 0.11 -1.82 1.03 -0.63 -1.23 0.00 0.00 174.94 172.41 1v86 s ILE 23 N 3.64 4.69 -0.30 2.92 -1.09 0.15 -3.37 121.20 127.84 1v86 s ILE 23 Ca 0.45 1.95 -0.01 0.00 -2.23 0.00 0.00 60.65 60.81 1v86 s ILE 23 Cb -0.00 -4.25 0.19 0.00 -1.58 0.00 0.00 42.46 36.82 1v86 s ILE 23 CO -0.03 0.07 0.69 0.86 -1.23 0.00 0.00 174.94 175.30 1v86 s TRP 24 N 1.59 -1.47 0.00 3.97 -0.00 -1.16 0.13 118.94 122.00 1v86 s TRP 24 Ca 0.51 1.28 0.00 0.00 -0.00 0.00 0.00 56.10 57.89 1v86 s TRP 24 Cb -0.21 0.41 0.00 0.00 -0.00 0.00 0.00 33.47 33.67 1v86 s TRP 24 CO 0.23 -0.83 0.00 0.09 -0.00 0.00 0.00 176.95 176.44 1v86 n ASN 25 N 5.41 0.00 -1.69 5.86 3.02 -1.26 -1.73 115.26 124.87 1v86 n ASN 25 Ca 0.01 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.55 1v86 n ASN 25 Cb 0.53 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.73 1v86 n ASN 25 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1v86 n LYS 26 N 0.00 0.32 -4.69 3.52 2.85 -1.26 -5.15 118.16 113.76 1v86 n LYS 26 Ca 0.00 -0.31 -0.26 0.00 -1.05 0.00 0.00 58.31 56.69 1v86 n LYS 26 Cb 0.00 0.15 -0.14 0.00 -0.65 0.00 0.00 35.03 34.39 1v86 n LYS 26 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1v86 s THR 27 N 0.03 1.74 -0.30 0.58 -4.23 -0.70 -5.11 115.64 107.65 1v86 s THR 27 Ca 0.02 -1.23 0.01 0.00 -1.18 0.00 0.00 61.69 59.31 1v86 s THR 27 Cb 0.11 -1.51 0.09 0.00 1.34 0.00 0.00 72.50 72.53 1v86 s THR 27 CO -0.03 0.23 0.06 -0.75 -0.54 0.00 0.00 174.62 173.59 1v86 s LYS 28 N -1.19 1.03 -0.48 3.99 2.20 -1.25 -2.97 119.74 121.07 1v86 s LYS 28 Ca 0.08 -1.24 -0.17 0.00 -0.36 0.00 0.00 55.97 54.28 1v86 s LYS 28 Cb -0.09 -2.39 0.06 0.00 -1.51 0.00 0.00 37.83 33.90 1v86 s LYS 28 CO 0.02 -0.91 0.50 -1.01 -0.36 0.00 0.00 175.35 173.59 1v86 s HIS 29 N 1.41 3.15 -0.54 4.03 3.76 -1.22 -4.84 115.29 121.05 1v86 s HIS 29 Ca 0.08 -0.71 -0.27 0.00 -0.15 0.00 0.00 55.06 54.00 1v86 s HIS 29 Cb -0.18 -3.31 -0.02 0.00 1.11 0.00 0.00 32.58 30.18 1v86 s HIS 29 CO -0.17 -0.89 1.89 -0.51 -0.85 0.00 0.00 174.74 174.20 1v86 s ASP 30 N 2.58 5.34 -0.03 1.40 1.11 -1.26 -3.18 116.67 122.63 1v86 s ASP 30 Ca 0.10 0.62 0.06 0.00 0.18 0.00 0.00 52.55 53.50 1v86 s ASP 30 Cb -0.21 -2.53 -0.02 0.00 1.07 0.00 0.00 42.92 41.23 1v86 s ASP 30 CO 0.09 -2.27 -0.20 0.68 1.18 0.00 0.00 175.17 174.65 1v86 s VAL 31 N 8.84 2.53 -0.31 -1.27 -7.23 -1.18 -5.02 120.40 116.77 1v86 s VAL 31 Ca 0.72 -0.93 -0.08 0.00 -1.81 0.00 0.00 61.98 59.89 1v86 s VAL 31 Cb -0.15 -1.94 0.01 0.00 0.56 0.00 0.00 36.38 34.86 1v86 s VAL 31 CO 0.24 0.58 0.11 -1.59 -0.31 0.00 0.00 175.10 174.13 1v86 s LYS 32 N -0.68 3.08 0.09 4.82 -2.85 -1.26 -2.33 119.74 120.62 1v86 s LYS 32 Ca 0.11 -0.87 0.05 0.00 -1.00 0.00 0.00 55.97 54.26 1v86 s LYS 32 Cb -0.10 -3.45 -0.03 0.00 -2.06 0.00 0.00 37.83 32.19 1v86 s LYS 32 CO -0.00 -0.48 -0.13 0.14 0.10 0.00 0.00 175.35 174.98 1v86 s VAL 33 N 1.52 1.15 0.58 1.79 -7.23 -0.98 -4.86 120.40 112.37 1v86 s VAL 33 Ca 0.03 -1.52 -0.16 0.00 -1.81 0.00 0.00 61.98 58.52 1v86 s VAL 33 Cb -0.17 -1.29 -0.05 0.00 0.56 0.00 0.00 36.38 35.43 1v86 s VAL 33 CO 0.04 -0.36 1.05 -2.16 -0.31 0.00 0.00 175.10 173.35 1v86 s PRO 34 N -2.28 3.44 0.26 4.82 0.04 -1.26 0.19 135.00 140.21 1v86 s PRO 34 Ca 0.03 1.18 0.26 0.00 0.04 0.00 0.00 61.00 62.51 1v86 s PRO 34 Cb -0.07 -2.05 0.74 0.00 0.04 0.00 0.00 34.50 33.17 1v86 s PRO 34 CO 0.02 -0.71 1.75 1.25 0.04 0.00 0.00 177.00 179.34 1v86 h LEU 35 N 0.57 0.00 -1.20 -3.56 5.85 -1.94 -2.95 115.31 112.08 1v86 h LEU 35 Ca -0.47 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.21 1v86 h LEU 35 Cb 1.21 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1v86 h LEU 35 CO 0.58 0.00 -0.19 -0.78 -0.34 0.00 0.00 178.44 177.71 1v86 h ASP 36 N 0.00 0.00 -2.69 1.25 1.82 -1.94 -2.76 116.42 112.10 1v86 h ASP 36 Ca 0.00 0.00 -0.59 0.00 -0.39 0.00 0.00 57.03 56.05 1v86 h ASP 36 Cb 0.76 0.00 0.16 0.00 0.68 0.00 0.00 39.33 40.93 1v86 h ASP 36 CO 0.00 0.19 -0.47 -1.20 -1.61 0.00 0.00 179.24 176.15 1v86 n SER 37 N -3.36 -1.23 -4.82 2.28 7.64 -1.12 -4.75 113.62 108.26 1v86 n SER 37 Ca 0.00 0.78 -0.38 0.00 1.01 0.00 0.00 58.87 60.28 1v86 n SER 37 Cb 0.40 -1.12 -0.06 0.00 -1.01 0.00 0.00 64.21 62.42 1v86 n SER 37 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1v86 s THR 38 N -1.67 4.75 0.57 0.44 -4.23 -1.26 -2.38 115.64 111.86 1v86 s THR 38 Ca 0.66 1.17 0.43 0.00 -1.18 0.00 0.00 61.69 62.77 1v86 s THR 38 Cb -0.50 -3.87 0.64 0.00 1.34 0.00 0.00 72.50 70.11 1v86 s THR 38 CO 0.57 0.50 1.49 1.23 -0.54 0.00 0.00 174.62 177.87 1v86 h GLY 39 N 4.37 0.00 0.33 3.99 0.00 -1.67 1.43 103.07 111.52 1v86 h GLY 39 Ca -0.49 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1v86 h GLY 39 CO 0.64 0.00 -0.09 0.23 0.00 0.00 0.00 176.54 177.31 1v86 h SER 40 N 0.00 0.09 -0.99 0.19 0.87 -1.82 -3.24 113.55 108.65 1v86 h SER 40 Ca 0.80 -0.75 0.36 0.00 -1.23 0.00 0.00 61.79 60.97 1v86 h SER 40 Cb 3.53 -0.03 -0.17 0.00 -0.44 0.00 0.00 62.40 65.29 1v86 h SER 40 CO -0.01 0.83 0.46 -0.33 -0.53 0.00 0.00 176.83 177.25 1v86 h GLU 41 N -0.64 0.10 -0.99 2.24 5.08 0.16 0.35 114.58 120.87 1v86 h GLU 41 Ca -0.01 -0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.48 1v86 h GLU 41 Cb 0.84 -0.02 -0.15 0.00 0.50 0.00 0.00 28.75 29.92 1v86 h GLU 41 CO 0.02 0.06 -0.42 1.28 -1.00 0.00 0.00 179.01 178.95 1v86 n LEU 42 N -5.24 -0.72 -0.09 1.33 4.77 -1.10 0.18 117.00 116.14 1v86 n LEU 42 Ca 0.33 1.73 -0.04 0.00 -0.03 0.00 0.00 56.01 58.01 1v86 n LEU 42 Cb 1.10 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.80 1v86 n LEU 42 CO 0.02 -1.53 0.50 0.11 -1.33 0.00 0.00 177.39 175.16 1v86 h LYS 43 N 0.00 -0.05 0.00 3.23 6.56 -0.48 1.79 116.57 127.62 1v86 h LYS 43 Ca 0.31 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.90 1v86 h LYS 43 Cb 0.56 0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.23 1v86 h LYS 43 CO -0.97 -0.03 -0.01 1.96 -2.06 0.00 0.00 179.45 178.34 1v86 h GLN 44 N -0.05 0.00 0.00 3.15 1.08 -0.98 0.99 115.11 119.30 1v86 h GLN 44 Ca 0.04 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.09 1v86 h GLN 44 Cb 0.14 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 1v86 h GLN 44 CO -0.24 0.01 -0.70 -0.22 -0.95 0.00 0.00 178.83 176.73 1v86 h LYS 45 N 0.00 0.00 0.03 1.46 1.63 1.07 -1.84 116.57 118.92 1v86 h LYS 45 Ca -0.00 0.00 -0.34 0.00 -0.85 0.00 0.00 60.65 59.46 1v86 h LYS 45 Cb 0.08 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.66 1v86 h LYS 45 CO 0.00 0.70 -1.89 -0.89 -3.45 0.00 0.00 179.45 173.93 1v86 n ILE 46 N -3.54 1.60 0.20 2.00 5.41 0.52 -4.11 119.36 121.43 1v86 n ILE 46 Ca -0.00 -0.34 0.14 0.00 1.00 0.00 0.00 62.75 63.55 1v86 n ILE 46 Cb 0.73 -1.85 0.74 0.00 -0.71 0.00 0.00 39.64 38.55 1v86 n ILE 46 CO 0.00 0.00 0.00 -0.74 0.00 0.00 0.00 176.55 175.81 1v86 h HIS 47 N -0.58 0.00 0.00 1.39 -0.00 0.77 1.41 115.15 118.13 1v86 h HIS 47 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 1v86 h HIS 47 Cb 1.64 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.05 1v86 h HIS 47 CO 0.04 0.00 0.00 0.43 -0.00 0.00 0.00 177.93 178.40 1v86 n SER 48 N -4.21 0.38 0.01 3.26 7.64 -0.69 -1.11 113.62 118.91 1v86 n SER 48 Ca 0.01 0.58 -0.02 0.00 1.01 0.00 0.00 58.87 60.44 1v86 n SER 48 Cb 0.26 -0.67 -0.01 0.00 -1.01 0.00 0.00 64.21 62.79 1v86 n SER 48 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1v86 n ILE 49 N -1.91 1.23 -0.14 0.44 5.41 0.22 -4.68 119.36 119.93 1v86 n ILE 49 Ca 0.04 0.32 0.15 0.00 1.00 0.00 0.00 62.75 64.25 1v86 n ILE 49 Cb 0.24 -1.77 0.51 0.00 -0.71 0.00 0.00 39.64 37.92 1v86 n ILE 49 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 1v86 h THR 50 N -0.27 0.81 0.00 1.39 1.35 0.14 -3.45 112.91 112.89 1v86 h THR 50 Ca 0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 1v86 h THR 50 Cb 0.27 0.38 0.00 0.00 -1.73 0.00 0.00 68.15 67.07 1v86 h THR 50 CO 0.00 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 1v86 n GLY 51 N -1.53 2.86 3.71 5.82 0.00 -0.26 -5.01 105.19 110.79 1v86 n GLY 51 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1v86 n GLY 51 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1v86 s LEU 52 N 0.00 2.00 0.40 0.99 2.34 -1.26 -4.85 118.68 118.31 1v86 s LEU 52 Ca 0.00 1.31 -0.24 0.00 0.06 0.00 0.00 54.13 55.26 1v86 s LEU 52 Cb 0.00 -3.65 -0.09 0.00 -0.56 0.00 0.00 46.19 41.89 1v86 s LEU 52 CO 0.00 -2.78 1.05 -2.16 -1.06 0.00 0.00 176.35 171.41 1v86 s PRO 53 N -4.99 4.15 0.24 1.48 0.04 -1.26 -4.49 135.00 130.16 1v86 s PRO 53 Ca 0.64 1.52 0.10 0.00 0.04 0.00 0.00 61.00 63.30 1v86 s PRO 53 Cb -0.18 -2.53 0.20 0.00 0.04 0.00 0.00 34.50 32.03 1v86 s PRO 53 CO 0.57 -0.16 1.51 -1.00 0.04 0.00 0.00 177.00 177.96 1v86 h PRO 54 N 2.47 0.00 0.00 0.56 0.13 -1.92 -2.19 132.00 131.05 1v86 h PRO 54 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1v86 h PRO 54 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1v86 h PRO 54 CO 0.62 0.71 -0.05 0.00 -0.23 0.00 0.00 178.00 179.05 1v86 h ALA 55 N 1.29 1.54 0.00 -0.56 0.00 -1.98 -1.51 119.26 118.04 1v86 h ALA 55 Ca -0.01 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 1v86 h ALA 55 Cb 1.29 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 1v86 h ALA 55 CO 0.09 0.06 -1.78 -1.33 0.00 0.00 0.00 179.25 176.29 1v86 n MET 56 N -3.94 0.65 -1.49 0.00 2.81 -1.11 -4.94 117.12 109.09 1v86 n MET 56 Ca -0.03 0.10 -0.32 0.00 -1.81 0.00 0.00 57.70 55.64 1v86 n MET 56 Cb 0.14 -1.68 0.07 0.00 -0.71 0.00 0.00 33.22 31.04 1v86 n MET 56 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1v86 s GLN 57 N -2.89 2.51 -0.39 0.03 -0.21 -0.57 -4.48 119.66 113.67 1v86 s GLN 57 Ca -0.06 1.28 0.01 0.00 0.02 0.00 0.00 55.36 56.62 1v86 s GLN 57 Cb 0.09 -1.92 0.12 0.00 1.00 0.00 0.00 33.01 32.30 1v86 s GLN 57 CO 0.83 -1.46 0.17 0.15 -2.12 0.00 0.00 175.29 172.86 1v86 s LYS 58 N -4.51 1.14 -0.49 2.91 1.02 -1.26 -4.92 119.74 113.63 1v86 s LYS 58 Ca 0.64 -1.69 -0.29 0.00 0.02 0.00 0.00 55.97 54.65 1v86 s LYS 58 Cb -0.19 -2.35 0.02 0.00 -0.52 0.00 0.00 37.83 34.79 1v86 s LYS 58 CO 0.49 -1.07 1.28 0.08 -0.92 0.00 0.00 175.35 175.20 1v86 s VAL 59 N 0.82 4.01 -0.17 3.17 1.01 -1.26 -4.49 120.40 123.50 1v86 s VAL 59 Ca 0.14 0.99 -0.06 0.00 0.00 0.00 0.00 61.98 63.05 1v86 s VAL 59 Cb -0.22 -4.48 0.08 0.00 0.00 0.00 0.00 36.38 31.76 1v86 s VAL 59 CO -0.09 -1.02 0.36 -0.04 0.00 0.00 0.00 175.10 174.31 1v86 s MET 60 N 4.86 0.26 -0.31 2.72 1.00 -1.26 -4.05 119.30 122.53 1v86 s MET 60 Ca 0.52 0.91 0.01 0.00 0.00 0.00 0.00 55.69 57.13 1v86 s MET 60 Cb -0.10 0.18 0.09 0.00 0.00 0.00 0.00 34.83 35.00 1v86 s MET 60 CO 0.30 -0.25 0.06 -0.47 0.00 0.00 0.00 175.02 174.66 1v86 s TYR 61 N 2.44 2.48 -0.91 -0.03 5.04 -1.26 -3.96 117.35 121.14 1v86 s TYR 61 Ca -0.01 -2.15 0.00 0.00 -2.44 0.00 0.00 57.07 52.46 1v86 s TYR 61 Cb -0.12 -2.10 0.00 0.00 0.35 0.00 0.00 41.96 40.10 1v86 s TYR 61 CO -0.11 -0.88 0.00 1.63 -1.34 0.00 0.00 175.55 174.85 1v86 n LYS 62 N 4.63 -1.71 0.00 4.97 5.02 -1.26 -4.68 118.16 125.12 1v86 n LYS 62 Ca -0.01 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1v86 n LYS 62 Cb 0.42 -4.86 0.00 0.00 -0.02 0.00 0.00 35.03 30.58 1v86 n LYS 62 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1v86 n GLY 63 N -0.41 3.91 3.65 0.72 0.00 -1.26 -5.12 105.19 106.67 1v86 n GLY 63 Ca -0.10 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 1v86 n GLY 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1v86 n LEU 64 N 0.00 3.05 -4.33 0.99 7.99 -1.26 -4.68 117.00 118.75 1v86 n LEU 64 Ca 0.00 1.10 -0.41 0.00 -0.01 0.00 0.00 56.01 56.69 1v86 n LEU 64 Cb 0.00 -1.41 -0.10 0.00 -0.11 0.00 0.00 43.42 41.80 1v86 n LEU 64 CO 0.00 -1.09 -0.13 -0.69 -1.51 0.00 0.00 177.39 173.97 1v86 s VAL 65 N -1.20 4.44 0.22 4.08 1.01 -1.26 -4.86 120.40 122.84 1v86 s VAL 65 Ca 0.61 -1.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 1v86 s VAL 65 Cb -0.56 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.14 1v86 s VAL 65 CO 0.58 -0.37 1.10 -2.16 0.00 0.00 0.00 175.10 174.26 1v86 s PRO 66 N 1.50 4.62 0.24 2.72 0.04 -1.26 -4.92 135.00 137.95 1v86 s PRO 66 Ca 0.02 1.76 0.17 0.00 0.04 0.00 0.00 61.00 62.99 1v86 s PRO 66 Cb -0.21 -3.24 0.05 0.00 0.04 0.00 0.00 34.50 31.14 1v86 s PRO 66 CO 0.05 0.14 1.28 0.93 0.04 0.00 0.00 177.00 179.44 1v86 h GLU 67 N 4.52 0.00 0.00 4.56 5.08 -1.96 -3.15 114.58 123.63 1v86 h GLU 67 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1v86 h GLU 67 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1v86 h GLU 67 CO 0.70 0.32 0.00 -0.25 -1.00 0.00 0.00 179.01 178.78 1v86 n ASP 68 N -3.07 0.00 -4.07 1.42 9.92 -1.26 -4.14 116.55 115.35 1v86 n ASP 68 Ca -0.01 0.49 -0.22 0.00 -0.53 0.00 0.00 54.79 54.52 1v86 n ASP 68 Cb 0.71 -0.50 -0.16 0.00 -0.64 0.00 0.00 41.12 40.54 1v86 n ASP 68 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1v86 s LYS 69 N -2.99 1.24 0.94 -1.24 -0.14 -1.19 -5.04 119.74 111.31 1v86 s LYS 69 Ca 0.08 -0.45 -0.12 0.00 -1.36 0.00 0.00 55.97 54.12 1v86 s LYS 69 Cb 0.10 -1.14 0.15 0.00 -1.68 0.00 0.00 37.83 35.26 1v86 s LYS 69 CO 0.28 0.20 1.12 0.95 -0.76 0.00 0.00 175.35 177.15 1v86 s THR 70 N 0.00 2.04 0.11 2.17 -4.23 -1.26 -2.79 115.64 111.68 1v86 s THR 70 Ca -0.01 0.01 -0.33 0.00 -1.18 0.00 0.00 61.69 60.19 1v86 s THR 70 Cb -0.08 -2.69 -0.12 0.00 1.34 0.00 0.00 72.50 70.95 1v86 s THR 70 CO 0.01 -0.02 1.58 -0.07 -0.54 0.00 0.00 174.62 175.58 1v86 h LEU 71 N -1.61 -1.34 -1.95 4.79 3.38 -1.52 1.64 115.31 118.71 1v86 h LEU 71 Ca -0.52 0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1v86 h LEU 71 Cb 1.33 0.49 0.00 0.00 0.09 0.00 0.00 40.66 42.57 1v86 h LEU 71 CO 0.61 -0.53 0.29 -0.09 0.09 0.00 0.00 178.44 178.80 1v86 h ARG 72 N -0.74 0.00 0.03 1.13 2.43 -1.73 0.46 114.38 115.97 1v86 h ARG 72 Ca 0.00 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.83 1v86 h ARG 72 Cb 0.73 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.23 1v86 h ARG 72 CO -0.22 0.00 -2.01 0.39 -1.51 0.00 0.00 179.97 176.62 1v86 n GLU 73 N -2.80 0.68 -0.02 0.20 1.02 0.12 -3.88 120.64 115.96 1v86 n GLU 73 Ca -0.02 0.21 0.10 0.00 -0.02 0.00 0.00 57.16 57.43 1v86 n GLU 73 Cb 0.34 -1.69 0.50 0.00 -0.02 0.00 0.00 31.44 30.57 1v86 n GLU 73 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1v86 n ILE 74 N -3.12 0.06 -1.71 -3.67 -6.64 0.52 -4.88 119.36 99.93 1v86 n ILE 74 Ca -0.27 -0.11 -0.01 0.00 -1.77 0.00 0.00 62.75 60.60 1v86 n ILE 74 Cb 1.07 -0.09 0.00 0.00 -1.44 0.00 0.00 39.64 39.18 1v86 n ILE 74 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 1v86 n LYS 75 N -0.45 -0.28 -4.19 6.28 4.76 0.36 -5.02 118.16 119.62 1v86 n LYS 75 Ca 0.15 0.70 -0.19 0.00 -2.87 0.00 0.00 58.31 56.09 1v86 n LYS 75 Cb 0.15 -2.10 -0.12 0.00 -1.84 0.00 0.00 35.03 31.11 1v86 n LYS 75 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1v86 s VAL 76 N -1.97 1.20 0.00 -0.18 1.01 -0.68 -4.96 120.40 114.81 1v86 s VAL 76 Ca 0.02 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.61 1v86 s VAL 76 Cb -0.01 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 35.19 1v86 s VAL 76 CO 0.11 -0.24 0.00 0.35 0.00 0.00 0.00 175.10 175.32 1v86 n THR 77 N 1.15 0.00 -2.43 3.92 -2.24 -1.26 -4.55 114.28 108.87 1v86 n THR 77 Ca -0.20 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.15 1v86 n THR 77 Cb 0.54 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.75 1v86 n THR 77 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1v86 s SER 78 N -0.74 6.38 0.00 3.42 1.04 -1.26 -2.68 113.70 119.85 1v86 s SER 78 Ca 0.00 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.05 1v86 s SER 78 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1v86 s SER 78 CO 0.00 -1.44 0.00 0.61 0.98 0.00 0.00 173.24 173.39 1v86 n GLY 79 N 5.05 1.57 3.65 7.32 0.00 -0.42 -4.92 105.19 117.44 1v86 n GLY 79 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1v86 n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v86 s ALA 80 N -2.00 3.57 0.43 4.61 0.00 -1.09 -4.90 121.76 122.38 1v86 s ALA 80 Ca 0.00 0.60 -0.24 0.00 0.00 0.00 0.00 51.96 52.31 1v86 s ALA 80 Cb 0.00 -3.71 -0.08 0.00 0.00 0.00 0.00 23.12 19.33 1v86 s ALA 80 CO 0.00 -1.40 1.19 0.21 0.00 0.00 0.00 175.76 175.76 1v86 s LYS 81 N 3.89 3.89 -0.13 0.00 2.36 -1.26 -3.31 119.74 125.18 1v86 s LYS 81 Ca 0.63 1.87 -0.03 0.00 -2.55 0.00 0.00 55.97 55.89 1v86 s LYS 81 Cb -0.26 -2.57 0.05 0.00 -1.05 0.00 0.00 37.83 34.00 1v86 s LYS 81 CO 0.22 -0.47 0.06 0.42 1.55 0.00 0.00 175.35 177.14 1v86 s ILE 82 N -1.44 0.09 0.07 5.43 -1.09 -0.99 -4.66 121.20 118.62 1v86 s ILE 82 Ca 0.60 -0.07 -0.14 0.00 -2.23 0.00 0.00 60.65 58.81 1v86 s ILE 82 Cb -0.31 -0.56 -0.06 0.00 -1.58 0.00 0.00 42.46 39.94 1v86 s ILE 82 CO 0.39 -0.09 0.46 -0.32 -1.23 0.00 0.00 174.94 174.15 1v86 s MET 83 N 2.07 3.92 -0.06 2.79 1.75 -1.25 0.30 119.30 128.80 1v86 s MET 83 Ca 0.02 0.40 0.05 0.00 -1.25 0.00 0.00 55.69 54.91 1v86 s MET 83 Cb -0.15 -3.08 -0.00 0.00 2.84 0.00 0.00 34.83 34.44 1v86 s MET 83 CO -0.07 0.59 -0.22 0.08 -0.65 0.00 0.00 175.02 174.75 1v86 s VAL 84 N -1.28 1.82 0.24 10.11 1.01 0.12 -4.36 120.40 128.05 1v86 s VAL 84 Ca 0.31 -0.92 0.12 0.00 0.00 0.00 0.00 61.98 61.49 1v86 s VAL 84 Cb -0.16 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 1v86 s VAL 84 CO 0.17 0.51 -0.20 -0.69 0.00 0.00 0.00 175.10 174.89 1v86 s VAL 85 N 0.08 2.52 0.00 2.92 1.01 -1.26 -4.49 120.40 121.17 1v86 s VAL 85 Ca -0.08 -2.21 0.00 0.00 0.00 0.00 0.00 61.98 59.69 1v86 s VAL 85 Cb -0.14 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1v86 s VAL 85 CO 0.05 -0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.48 1v86 n GLY 86 N -0.27 1.36 3.64 4.51 0.00 -1.26 -4.08 105.19 109.08 1v86 n GLY 86 Ca -0.08 -1.60 -0.09 0.00 0.00 0.00 0.00 46.02 44.25 1v86 n GLY 86 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v86 s SER 87 N 0.00 -0.52 -0.19 1.61 0.01 -1.26 -5.07 113.70 108.27 1v86 s SER 87 Ca 0.00 0.97 -0.07 0.00 1.31 0.00 0.00 55.95 58.16 1v86 s SER 87 Cb 0.00 1.03 0.03 0.00 0.21 0.00 0.00 66.02 67.29 1v86 s SER 87 CO 0.00 -0.16 0.14 0.41 0.41 0.00 0.00 173.24 174.04 1v86 n THR 88 N 2.61-10.79 -1.92 1.44 -1.04 -1.26 -5.00 114.28 98.31 1v86 n THR 88 Ca -0.14 2.11 -0.30 0.00 -2.04 0.00 0.00 64.05 63.69 1v86 n THR 88 Cb 0.56 -6.02 0.16 0.00 -1.82 0.00 0.00 70.33 63.21 1v86 n THR 88 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1v86 s ILE 89 N -0.88 2.00 0.03 12.58 -5.25 -1.26 -5.05 121.20 123.37 1v86 s ILE 89 Ca -0.17 0.00 -0.04 0.00 -0.99 0.00 0.00 60.65 59.45 1v86 s ILE 89 Cb 0.01 -3.00 -0.01 0.00 2.95 0.00 0.00 42.46 42.41 1v86 s ILE 89 CO 0.66 0.00 -0.08 -0.24 -1.79 0.00 0.00 174.94 173.50 1v86 n SER 90 N -3.66 1.23 0.00 4.36 2.88 -1.26 -5.16 113.62 112.01 1v86 n SER 90 Ca 0.13 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 1v86 n SER 90 Cb 0.60 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 1v86 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v86 n GLY 91 N 3.02 3.06 3.77 0.46 0.00 -1.26 -5.10 105.19 109.13 1v86 n GLY 91 Ca -0.03 -2.01 -0.30 0.00 0.00 0.00 0.00 46.02 43.68 1v86 n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v86 s PRO 92 N -2.80 -0.13 0.08 1.61 0.04 -1.26 -5.05 135.00 127.50 1v86 s PRO 92 Ca 0.00 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 60.84 1v86 s PRO 92 Cb 0.00 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1v86 s PRO 92 CO 0.00 -2.96 0.00 0.45 0.04 0.00 0.00 177.00 174.53 1v86 n SER 93 N -4.20 0.85 -4.94 6.66 2.88 -1.26 -5.08 113.62 108.53 1v86 n SER 93 Ca 0.14 0.12 -0.24 0.00 -1.33 0.00 0.00 58.87 57.55 1v86 n SER 93 Cb 0.59 -0.25 -0.01 0.00 -0.75 0.00 0.00 64.21 63.80 1v86 n SER 93 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1v86 s SER 94 N -5.76 6.26 0.00 -3.46 0.15 -1.26 -5.36 113.70 104.27 1v86 s SER 94 Ca 0.00 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.15 1v86 s SER 94 Cb 0.00 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.28 1v86 s SER 94 CO 0.00 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.69