#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 0.00 1.61 2.88 -1.26 -5.19 113.62 111.66 1v86 n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1v86 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1v86 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1v86 n SER 3 N 0.00 0.00 0.00 -3.46 7.64 -1.26 -5.17 113.62 111.37 1v86 n SER 3 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1v86 n SER 3 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1v86 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v86 n GLY 4 N -0.05 3.76 0.00 0.23 0.00 -1.26 -5.19 105.19 102.69 1v86 n GLY 4 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1v86 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1v86 n SER 5 N 0.00 0.00 -3.60 1.61 3.41 -1.26 -5.19 113.62 108.59 1v86 n SER 5 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.63 1v86 n SER 5 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1v86 n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1v86 s SER 6 N 0.00 -0.04 0.00 4.04 0.15 -1.26 -5.17 113.70 111.42 1v86 s SER 6 Ca 0.00 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1v86 s SER 6 Cb 0.00 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1v86 s SER 6 CO 0.00 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1v86 n GLY 7 N -0.48 0.83 0.00 9.45 0.00 -1.26 -5.16 105.19 108.57 1v86 n GLY 7 Ca -0.09 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 -3.54 1.61 2.03 -1.26 -5.18 116.55 110.21 1v86 n ASP 8 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 1v86 n ASP 8 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 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 0.00 -1.84 0.00 -1.67 0.00 -1.26 -5.14 121.76 111.84 1v86 s ALA 9 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.32 1v86 s ALA 9 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1v86 s ALA 9 CO 0.00 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 175.76 1v86 n GLY 10 N 0.59 2.74 0.00 0.00 0.00 -1.26 -5.17 105.19 102.09 1v86 n GLY 10 Ca -0.13 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 0.86 3.77 0.00 -0.02 0.00 -1.26 -5.07 105.19 103.47 1v86 n GLY 11 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 5.00 0.85 3.66 -0.02 0.00 -1.26 -4.98 105.19 108.44 1v86 n GLY 12 Ca 0.00 -1.51 -0.45 0.00 0.00 0.00 0.00 46.02 44.06 1v86 n GLY 12 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1v86 n VAL 13 N 0.00 0.87 -3.22 1.61 0.31 -1.26 -4.97 118.33 111.67 1v86 n VAL 13 Ca 0.00 -0.22 -0.01 0.00 -0.01 0.00 0.00 64.34 64.10 1v86 n VAL 13 Cb 0.00 -1.39 -0.03 0.00 -0.91 0.00 0.00 33.84 31.51 1v86 n VAL 13 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1v86 s GLY 14 N 0.30 -0.90 -0.16 2.92 0.00 -1.26 -5.13 107.32 103.09 1v86 s GLY 14 Ca 0.70 1.08 -0.01 0.00 0.00 0.00 0.00 44.72 46.49 1v86 s GLY 14 CO 0.49 3.29 -0.03 -1.59 0.00 0.00 0.00 173.10 175.26 1v86 s LYS 15 N 2.73 1.24 -0.11 2.90 -2.85 -1.26 -5.12 119.74 117.26 1v86 s LYS 15 Ca 0.14 -0.43 -0.04 0.00 -1.00 0.00 0.00 55.97 54.64 1v86 s LYS 15 Cb -0.13 -1.90 -0.03 0.00 -2.06 0.00 0.00 37.83 33.71 1v86 s LYS 15 CO -0.24 -0.44 0.03 -1.21 0.10 0.00 0.00 175.35 173.58 1v86 s GLU 16 N 1.70 3.27 0.54 1.78 2.02 -1.26 -5.07 118.70 121.68 1v86 s GLU 16 Ca 0.01 -0.37 -0.18 0.00 0.02 0.00 0.00 54.97 54.45 1v86 s GLU 16 Cb -0.15 -2.92 -0.12 0.00 0.10 0.00 0.00 34.13 31.03 1v86 s GLU 16 CO -0.07 0.60 0.13 1.28 0.02 0.00 0.00 175.26 177.22 1v86 n LEU 17 N 2.47 -1.86 -4.86 1.80 7.99 -1.26 -4.92 117.00 116.36 1v86 n LEU 17 Ca -0.18 0.68 -0.32 0.00 -0.01 0.00 0.00 56.01 56.17 1v86 n LEU 17 Cb 0.53 -0.98 -0.06 0.00 -0.11 0.00 0.00 43.42 42.80 1v86 n LEU 17 CO 0.30 -4.09 0.33 0.54 -1.51 0.00 0.00 177.39 172.96 1v86 s VAL 18 N -1.89 4.79 -0.23 4.08 0.11 0.24 -4.70 120.40 122.80 1v86 s VAL 18 Ca 0.61 0.76 -0.23 0.00 -2.93 0.00 0.00 61.98 60.19 1v86 s VAL 18 Cb -0.47 -3.63 -0.01 0.00 -1.53 0.00 0.00 36.38 30.74 1v86 s VAL 18 CO 0.62 -0.10 0.76 -1.81 -3.33 0.00 0.00 175.10 171.23 1v86 s ASP 19 N -2.26 6.78 -0.02 3.54 1.11 -1.26 -1.93 116.67 122.63 1v86 s ASP 19 Ca 0.50 0.97 0.06 0.00 0.18 0.00 0.00 52.55 54.25 1v86 s ASP 19 Cb -0.11 -2.41 -0.01 0.00 1.07 0.00 0.00 42.92 41.46 1v86 s ASP 19 CO 0.19 -0.43 -0.19 -0.76 1.18 0.00 0.00 175.17 175.16 1v86 s LEU 20 N 2.52 2.02 -0.45 1.23 1.43 -0.91 -2.07 118.68 122.45 1v86 s LEU 20 Ca 0.33 -0.35 -0.16 0.00 -1.03 0.00 0.00 54.13 52.91 1v86 s LEU 20 Cb -0.16 -0.99 0.05 0.00 0.03 0.00 0.00 46.19 45.12 1v86 s LEU 20 CO 0.09 0.22 0.43 -0.54 0.23 0.00 0.00 176.35 176.78 1v86 s LYS 21 N -0.36 3.03 -1.14 1.70 1.02 -1.19 -3.03 119.74 119.77 1v86 s LYS 21 Ca 0.05 -1.06 -0.22 0.00 0.02 0.00 0.00 55.97 54.76 1v86 s LYS 21 Cb -0.08 -4.06 -0.05 0.00 -0.52 0.00 0.00 37.83 33.12 1v86 s LYS 21 CO -0.00 -0.97 1.88 0.42 -0.92 0.00 0.00 175.35 175.75 1v86 s ILE 22 N 1.95 3.64 -0.08 2.17 -1.09 -1.03 -1.88 121.20 124.88 1v86 s ILE 22 Ca 0.08 -0.97 -0.30 0.00 -2.23 0.00 0.00 60.65 57.23 1v86 s ILE 22 Cb -0.21 -4.59 -0.03 0.00 -1.58 0.00 0.00 42.46 36.05 1v86 s ILE 22 CO 0.10 -1.21 1.27 -0.63 -1.23 0.00 0.00 174.94 173.24 1v86 s ILE 23 N 9.36 4.14 -0.25 2.92 -1.09 0.43 -3.56 121.20 133.15 1v86 s ILE 23 Ca 0.65 1.45 -0.03 0.00 -2.23 0.00 0.00 60.65 60.49 1v86 s ILE 23 Cb -0.01 -3.93 0.14 0.00 -1.58 0.00 0.00 42.46 37.07 1v86 s ILE 23 CO 0.08 -0.04 0.41 0.86 -1.23 0.00 0.00 174.94 175.02 1v86 s TRP 24 N 2.70 -0.94 0.00 3.97 -0.00 -1.18 0.18 118.94 123.67 1v86 s TRP 24 Ca 0.58 1.01 0.00 0.00 -0.00 0.00 0.00 56.10 57.69 1v86 s TRP 24 Cb -0.25 0.12 0.00 0.00 -0.00 0.00 0.00 33.47 33.34 1v86 s TRP 24 CO 0.21 -0.72 0.00 0.09 -0.00 0.00 0.00 176.95 176.52 1v86 n ASN 25 N 5.38 0.00 -0.90 5.86 3.02 -1.25 -1.30 115.26 126.07 1v86 n ASN 25 Ca -0.04 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.46 1v86 n ASN 25 Cb 0.50 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.62 1v86 n ASN 25 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1v86 n LYS 26 N 0.00 0.00 -4.26 3.52 4.76 -1.26 -5.12 118.16 115.80 1v86 n LYS 26 Ca 0.00 -0.81 -0.24 0.00 -2.87 0.00 0.00 58.31 54.39 1v86 n LYS 26 Cb 0.00 0.47 -0.07 0.00 -1.84 0.00 0.00 35.03 33.59 1v86 n LYS 26 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1v86 s THR 27 N 0.00 3.57 -0.30 -0.18 -4.23 -0.42 -5.11 115.64 108.97 1v86 s THR 27 Ca 0.00 -1.71 -0.03 0.00 -1.18 0.00 0.00 61.69 58.77 1v86 s THR 27 Cb 0.00 -2.86 0.10 0.00 1.34 0.00 0.00 72.50 71.08 1v86 s THR 27 CO 0.00 -0.27 0.13 -1.59 -0.54 0.00 0.00 174.62 172.35 1v86 s LYS 28 N -3.38 0.33 -0.31 3.99 -2.85 -1.26 -3.10 119.74 113.15 1v86 s LYS 28 Ca 0.30 -0.69 -0.13 0.00 -1.00 0.00 0.00 55.97 54.45 1v86 s LYS 28 Cb -0.08 -1.36 -0.03 0.00 -2.06 0.00 0.00 37.83 34.30 1v86 s LYS 28 CO 0.19 -1.02 0.27 -1.01 0.10 0.00 0.00 175.35 173.89 1v86 s HIS 29 N 1.95 3.22 -0.45 1.78 3.76 -1.23 -4.90 115.29 119.42 1v86 s HIS 29 Ca 0.09 0.05 -0.29 0.00 -0.15 0.00 0.00 55.06 54.77 1v86 s HIS 29 Cb -0.17 -2.50 0.02 0.00 1.11 0.00 0.00 32.58 31.04 1v86 s HIS 29 CO -0.33 -0.28 1.23 -0.51 -0.85 0.00 0.00 174.74 174.00 1v86 s ASP 30 N 1.72 6.54 0.01 1.40 1.11 -1.26 -2.47 116.67 123.72 1v86 s ASP 30 Ca 0.09 0.61 0.04 0.00 0.18 0.00 0.00 52.55 53.48 1v86 s ASP 30 Cb -0.16 -2.55 -0.01 0.00 1.07 0.00 0.00 42.92 41.27 1v86 s ASP 30 CO 0.11 -1.30 -0.13 0.68 1.18 0.00 0.00 175.17 175.71 1v86 s VAL 31 N 4.77 1.00 -0.21 -1.27 -7.23 -1.17 -5.04 120.40 111.25 1v86 s VAL 31 Ca 0.52 -0.69 -0.05 0.00 -1.81 0.00 0.00 61.98 59.96 1v86 s VAL 31 Cb -0.10 -0.86 -0.02 0.00 0.56 0.00 0.00 36.38 35.96 1v86 s VAL 31 CO 0.32 0.17 -0.00 -1.59 -0.31 0.00 0.00 175.10 173.68 1v86 s LYS 32 N -0.59 3.56 0.04 4.82 -2.85 -1.26 -2.13 119.74 121.34 1v86 s LYS 32 Ca 0.03 -0.54 0.01 0.00 -1.00 0.00 0.00 55.97 54.47 1v86 s LYS 32 Cb -0.06 -3.08 -0.03 0.00 -2.06 0.00 0.00 37.83 32.60 1v86 s LYS 32 CO 0.00 -0.05 -0.06 0.14 0.10 0.00 0.00 175.35 175.48 1v86 s VAL 33 N 1.17 0.39 0.36 1.79 -7.23 -0.81 -4.86 120.40 111.21 1v86 s VAL 33 Ca 0.03 -1.25 -0.26 0.00 -1.81 0.00 0.00 61.98 58.69 1v86 s VAL 33 Cb -0.14 -0.78 -0.09 0.00 0.56 0.00 0.00 36.38 35.93 1v86 s VAL 33 CO 0.01 -0.57 1.06 -2.16 -0.31 0.00 0.00 175.10 173.13 1v86 s PRO 34 N -2.17 4.31 0.27 4.82 0.04 -1.26 0.79 135.00 141.80 1v86 s PRO 34 Ca -0.06 1.60 0.23 0.00 0.04 0.00 0.00 61.00 62.81 1v86 s PRO 34 Cb -0.05 -2.74 1.01 0.00 0.04 0.00 0.00 34.50 32.75 1v86 s PRO 34 CO -0.02 -0.03 1.70 -0.11 0.04 0.00 0.00 177.00 178.58 1v86 n LEU 35 N 0.32 0.65 0.21 -3.56 7.94 -1.26 -1.22 117.00 120.07 1v86 n LEU 35 Ca 0.03 0.68 0.15 0.00 -1.11 0.00 0.00 56.01 55.76 1v86 n LEU 35 Cb 0.48 -0.62 0.52 0.00 0.53 0.00 0.00 43.42 44.34 1v86 n LEU 35 CO 0.48 -0.63 0.92 0.44 -1.11 0.00 0.00 177.39 177.49 1v86 h ASP 36 N 0.00 0.00 -2.18 1.96 3.32 -1.99 -2.69 116.42 114.84 1v86 h ASP 36 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 1v86 h ASP 36 Cb 0.30 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.90 1v86 h ASP 36 CO 0.00 0.00 0.80 -1.20 -1.72 0.00 0.00 179.24 177.12 1v86 n SER 37 N -2.77 2.99 -4.77 6.45 7.64 -0.36 -4.80 113.62 118.00 1v86 n SER 37 Ca 0.02 1.07 -0.39 0.00 1.01 0.00 0.00 58.87 60.58 1v86 n SER 37 Cb 0.33 -1.39 -0.03 0.00 -1.01 0.00 0.00 64.21 62.11 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 1.30 3.34 0.59 0.44 -4.23 -1.26 -2.19 115.64 113.62 1v86 s THR 38 Ca 0.81 1.21 0.35 0.00 -1.18 0.00 0.00 61.69 62.88 1v86 s THR 38 Cb -0.71 -3.72 0.51 0.00 1.34 0.00 0.00 72.50 69.92 1v86 s THR 38 CO 0.41 0.19 1.49 1.23 -0.54 0.00 0.00 174.62 177.39 1v86 h GLY 39 N 3.15 0.00 0.21 3.99 0.00 -0.97 0.99 103.07 110.43 1v86 h GLY 39 Ca -0.48 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1v86 h GLY 39 CO 0.64 0.00 -0.00 0.23 0.00 0.00 0.00 176.54 177.41 1v86 h SER 40 N 0.00 -0.01 -1.11 0.19 0.87 -1.79 -3.24 113.55 108.45 1v86 h SER 40 Ca 0.60 -0.77 0.39 0.00 -1.23 0.00 0.00 61.79 60.77 1v86 h SER 40 Cb 2.94 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 64.75 1v86 h SER 40 CO -0.01 0.78 0.66 -0.33 -0.53 0.00 0.00 176.83 177.40 1v86 h GLU 41 N -0.80 0.15 -0.95 2.24 5.08 0.67 0.51 114.58 121.48 1v86 h GLU 41 Ca -0.00 -0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.55 1v86 h GLU 41 Cb 0.78 -0.03 -0.18 0.00 0.50 0.00 0.00 28.75 29.82 1v86 h GLU 41 CO 0.00 0.10 -0.18 -0.07 -1.00 0.00 0.00 179.01 177.86 1v86 h LEU 42 N 0.15 -0.79 -0.15 1.33 3.38 -1.53 1.00 115.31 118.71 1v86 h LEU 42 Ca 0.79 0.28 0.02 0.00 0.09 0.00 0.00 57.88 59.06 1v86 h LEU 42 Cb 2.15 0.56 -0.03 0.00 0.09 0.00 0.00 40.66 43.43 1v86 h LEU 42 CO -0.58 -0.31 -0.16 0.11 0.09 0.00 0.00 178.44 177.58 1v86 h LYS 43 N 0.01 -0.09 0.00 1.13 1.79 -0.16 1.73 116.57 120.97 1v86 h LYS 43 Ca 0.48 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.95 1v86 h LYS 43 Cb 0.79 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 1v86 h LYS 43 CO -0.95 -0.06 0.00 1.96 -1.08 0.00 0.00 179.45 179.31 1v86 h GLN 44 N -0.10 0.00 0.00 3.15 4.20 -1.00 0.94 115.11 122.31 1v86 h GLN 44 Ca 0.03 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.56 1v86 h GLN 44 Cb 0.16 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1v86 h GLN 44 CO -0.19 0.00 -0.82 -0.22 -0.67 0.00 0.00 178.83 176.93 1v86 h LYS 45 N 0.00 0.00 0.02 1.46 1.63 0.66 -2.53 116.57 117.81 1v86 h LYS 45 Ca 0.00 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.48 1v86 h LYS 45 Cb 0.13 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.72 1v86 h LYS 45 CO 0.00 0.82 -1.79 -0.89 -3.45 0.00 0.00 179.45 174.14 1v86 n ILE 46 N -3.56 1.57 0.27 2.00 5.41 0.53 -4.05 119.36 121.53 1v86 n ILE 46 Ca -0.01 -0.25 0.18 0.00 1.00 0.00 0.00 62.75 63.68 1v86 n ILE 46 Cb 0.79 -1.92 0.87 0.00 -0.71 0.00 0.00 39.64 38.67 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 -0.79 0.00 0.00 1.39 -0.00 0.69 1.73 115.15 118.18 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 1.53 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.94 1v86 h HIS 47 CO 0.04 0.00 0.00 0.45 -0.00 0.00 0.00 177.93 178.42 1v86 n SER 48 N -3.25 0.68 0.01 3.26 2.88 -0.95 -2.24 113.62 114.01 1v86 n SER 48 Ca 0.00 0.57 -0.02 0.00 -1.33 0.00 0.00 58.87 58.09 1v86 n SER 48 Cb 0.36 -0.75 -0.01 0.00 -0.75 0.00 0.00 64.21 63.06 1v86 n SER 48 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1v86 n ILE 49 N -2.14 1.22 -0.19 2.46 5.41 0.49 -4.67 119.36 121.93 1v86 n ILE 49 Ca 0.06 0.32 0.17 0.00 1.00 0.00 0.00 62.75 64.30 1v86 n ILE 49 Cb 0.41 -1.76 0.52 0.00 -0.71 0.00 0.00 39.64 38.10 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 0.74 0.00 1.39 1.35 0.13 -3.45 112.91 112.80 1v86 h THR 50 Ca 0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1v86 h THR 50 Cb 0.27 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.01 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 2.49 3.93 5.82 0.00 -0.95 -5.01 105.19 109.94 1v86 n GLY 51 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 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 3.06 0.44 0.99 2.34 -1.26 -5.01 118.68 119.25 1v86 s LEU 52 Ca 0.00 0.45 -0.22 0.00 0.06 0.00 0.00 54.13 54.42 1v86 s LEU 52 Cb 0.00 -3.20 -0.09 0.00 -0.56 0.00 0.00 46.19 42.34 1v86 s LEU 52 CO 0.00 -1.31 1.05 -2.16 -1.06 0.00 0.00 176.35 172.87 1v86 s PRO 53 N -5.05 4.00 0.25 1.48 0.04 -1.26 -4.47 135.00 129.99 1v86 s PRO 53 Ca 0.57 1.45 0.11 0.00 0.04 0.00 0.00 61.00 63.17 1v86 s PRO 53 Cb -0.11 -2.34 0.24 0.00 0.04 0.00 0.00 34.50 32.33 1v86 s PRO 53 CO 0.43 -0.28 1.53 -1.00 0.04 0.00 0.00 177.00 177.73 1v86 h PRO 54 N 2.07 0.00 -0.16 0.56 0.13 -1.96 -3.00 132.00 129.64 1v86 h PRO 54 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1v86 h PRO 54 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1v86 h PRO 54 CO 0.61 0.67 0.10 0.00 -0.23 0.00 0.00 178.00 179.14 1v86 h ALA 55 N 1.33 1.87 -0.73 -0.56 0.00 -1.99 -0.63 119.26 118.55 1v86 h ALA 55 Ca -0.01 -0.02 -0.40 0.00 0.00 0.00 0.00 54.91 54.49 1v86 h ALA 55 Cb 1.27 -0.07 -0.23 0.00 0.00 0.00 0.00 17.79 18.76 1v86 h ALA 55 CO 0.09 0.12 0.32 -1.33 0.00 0.00 0.00 179.25 178.44 1v86 n MET 56 N -4.50 2.17 -4.14 0.00 2.81 -1.14 -4.97 117.12 107.34 1v86 n MET 56 Ca -0.01 -3.16 -0.25 0.00 -1.81 0.00 0.00 57.70 52.47 1v86 n MET 56 Cb 0.09 -2.05 -0.06 0.00 -0.71 0.00 0.00 33.22 30.49 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 -3.34 2.71 -0.43 0.03 -0.21 -0.24 -4.00 119.66 114.18 1v86 s GLN 57 Ca 0.52 -1.01 0.02 0.00 0.02 0.00 0.00 55.36 54.92 1v86 s GLN 57 Cb 0.45 -2.51 0.13 0.00 1.00 0.00 0.00 33.01 32.08 1v86 s GLN 57 CO 0.05 0.45 0.21 0.21 -2.12 0.00 0.00 175.29 174.10 1v86 s LYS 58 N -3.20 1.32 -0.60 2.91 2.20 -1.24 -4.92 119.74 116.22 1v86 s LYS 58 Ca 0.30 -1.97 -0.24 0.00 -0.36 0.00 0.00 55.97 53.70 1v86 s LYS 58 Cb -0.09 -2.48 0.05 0.00 -1.51 0.00 0.00 37.83 33.80 1v86 s LYS 58 CO 0.22 -1.12 1.01 0.08 -0.36 0.00 0.00 175.35 175.17 1v86 s VAL 59 N 0.45 4.27 -0.17 4.02 1.01 -1.26 -4.08 120.40 124.63 1v86 s VAL 59 Ca 0.16 0.21 -0.06 0.00 0.00 0.00 0.00 61.98 62.29 1v86 s VAL 59 Cb -0.24 -4.63 0.08 0.00 0.00 0.00 0.00 36.38 31.59 1v86 s VAL 59 CO -0.03 -1.29 0.36 -0.04 0.00 0.00 0.00 175.10 174.10 1v86 s MET 60 N 4.26 0.26 -0.29 2.72 1.00 -1.25 -3.93 119.30 122.07 1v86 s MET 60 Ca 0.30 0.91 0.01 0.00 0.00 0.00 0.00 55.69 56.91 1v86 s MET 60 Cb -0.13 0.18 0.09 0.00 0.00 0.00 0.00 34.83 34.97 1v86 s MET 60 CO 0.17 -0.26 0.04 -0.47 0.00 0.00 0.00 175.02 174.51 1v86 s TYR 61 N 2.44 2.41 -0.71 -0.03 5.04 -1.26 -3.34 117.35 121.90 1v86 s TYR 61 Ca -0.01 -2.03 0.00 0.00 -2.44 0.00 0.00 57.07 52.59 1v86 s TYR 61 Cb -0.12 -1.96 0.00 0.00 0.35 0.00 0.00 41.96 40.23 1v86 s TYR 61 CO -0.11 -0.85 0.00 1.63 -1.34 0.00 0.00 175.55 174.88 1v86 n LYS 62 N 4.65 -1.90 0.00 4.97 5.02 -1.26 -4.67 118.16 124.98 1v86 n LYS 62 Ca -0.04 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 1v86 n LYS 62 Cb 0.43 -4.76 0.00 0.00 -0.02 0.00 0.00 35.03 30.68 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 -0.43 3.89 3.66 0.72 0.00 -1.26 -5.11 105.19 106.66 1v86 n GLY 63 Ca -0.08 -1.01 -0.44 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 2.94 -4.27 0.99 7.99 -1.26 -4.68 117.00 118.72 1v86 n LEU 64 Ca 0.00 1.19 -0.37 0.00 -0.01 0.00 0.00 56.01 56.82 1v86 n LEU 64 Cb 0.00 -1.41 -0.13 0.00 -0.11 0.00 0.00 43.42 41.77 1v86 n LEU 64 CO 0.00 -0.76 -0.27 -0.69 -1.51 0.00 0.00 177.39 174.16 1v86 s VAL 65 N -0.90 3.70 -0.16 4.08 1.01 -1.25 -4.87 120.40 122.01 1v86 s VAL 65 Ca 0.59 -1.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.16 1v86 s VAL 65 Cb -0.62 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1v86 s VAL 65 CO 0.59 -0.14 1.27 -2.16 0.00 0.00 0.00 175.10 174.67 1v86 s PRO 66 N 1.40 4.24 0.00 2.72 0.04 -1.26 -4.88 135.00 137.25 1v86 s PRO 66 Ca -0.02 1.68 0.16 0.00 0.04 0.00 0.00 61.00 62.87 1v86 s PRO 66 Cb -0.19 -3.76 0.69 0.00 0.04 0.00 0.00 34.50 31.28 1v86 s PRO 66 CO 0.02 -0.70 1.51 0.39 0.04 0.00 0.00 177.00 178.27 1v86 n GLU 67 N 6.55 0.01 0.00 4.56 1.02 -1.26 -1.48 120.64 130.04 1v86 n GLU 67 Ca 0.14 0.22 0.14 0.00 -0.02 0.00 0.00 57.16 57.64 1v86 n GLU 67 Cb 0.45 -1.50 0.64 0.00 -0.02 0.00 0.00 31.44 31.01 1v86 n GLU 67 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1v86 n ASP 68 N -1.50 0.56 -4.15 1.62 -0.08 -1.26 -3.30 116.55 108.44 1v86 n ASP 68 Ca 0.04 -0.76 -0.18 0.00 -1.51 0.00 0.00 54.79 52.38 1v86 n ASP 68 Cb 0.19 -0.05 -0.12 0.00 2.34 0.00 0.00 41.12 43.47 1v86 n ASP 68 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1v86 s LYS 69 N -2.35 0.82 0.70 -0.67 -0.14 -0.55 -4.97 119.74 112.58 1v86 s LYS 69 Ca 0.32 -0.86 -0.11 0.00 -1.36 0.00 0.00 55.97 53.96 1v86 s LYS 69 Cb 0.20 -0.80 0.01 0.00 -1.68 0.00 0.00 37.83 35.56 1v86 s LYS 69 CO 0.44 0.18 1.09 0.95 -0.76 0.00 0.00 175.35 177.26 1v86 s THR 70 N -1.13 3.63 0.19 2.17 -4.23 -1.26 -0.57 115.64 114.44 1v86 s THR 70 Ca -0.02 0.53 -0.12 0.00 -1.18 0.00 0.00 61.69 60.90 1v86 s THR 70 Cb -0.09 -3.50 0.11 0.00 1.34 0.00 0.00 72.50 70.35 1v86 s THR 70 CO 0.02 -0.69 1.73 -0.07 -0.54 0.00 0.00 174.62 175.07 1v86 h LEU 71 N -0.64 0.09 -1.10 4.79 3.38 -1.51 1.76 115.31 122.08 1v86 h LEU 71 Ca -0.45 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1v86 h LEU 71 Cb 1.25 0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1v86 h LEU 71 CO 0.63 0.07 0.00 -0.09 0.09 0.00 0.00 178.44 179.14 1v86 h ARG 72 N 0.29 0.00 0.04 1.13 2.43 -1.73 0.16 114.38 116.70 1v86 h ARG 72 Ca 0.25 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 59.04 1v86 h ARG 72 Cb 0.31 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.81 1v86 h ARG 72 CO -0.29 0.00 -2.30 0.39 -1.51 0.00 0.00 179.97 176.26 1v86 n GLU 73 N -2.30 0.68 0.00 0.20 1.02 0.20 -4.08 120.64 116.35 1v86 n GLU 73 Ca 0.00 0.20 0.12 0.00 -0.02 0.00 0.00 57.16 57.47 1v86 n GLU 73 Cb 0.15 -1.58 0.66 0.00 -0.02 0.00 0.00 31.44 30.64 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 -3.42 0.13 -1.13 -3.67 -6.64 0.54 -4.89 119.36 100.28 1v86 n ILE 74 Ca -0.42 0.03 0.00 0.00 -1.77 0.00 0.00 62.75 60.60 1v86 n ILE 74 Cb 0.99 -0.65 0.00 0.00 -1.44 0.00 0.00 39.64 38.55 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 -1.15 0.00 -4.10 6.28 5.02 -0.11 -5.04 118.16 119.06 1v86 n LYS 75 Ca 0.15 0.38 -0.14 0.00 -2.02 0.00 0.00 58.31 56.67 1v86 n LYS 75 Cb 0.14 -0.99 -0.12 0.00 -0.02 0.00 0.00 35.03 34.04 1v86 n LYS 75 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1v86 s VAL 76 N -0.47 0.62 0.12 -0.18 1.01 0.36 -4.95 120.40 116.91 1v86 s VAL 76 Ca 0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 1v86 s VAL 76 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.73 1v86 s VAL 76 CO 0.00 -0.28 0.17 0.35 0.00 0.00 0.00 175.10 175.35 1v86 n THR 77 N 1.66 0.00 -2.23 3.92 -2.24 -1.26 -4.62 114.28 109.51 1v86 n THR 77 Ca -0.21 -0.59 -0.42 0.00 -2.27 0.00 0.00 64.05 60.56 1v86 n THR 77 Cb 0.55 0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 69.12 1v86 n THR 77 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1v86 s SER 78 N -1.73 6.10 0.00 3.42 0.15 -1.26 -2.66 113.70 117.72 1v86 s SER 78 Ca 0.10 0.84 0.00 0.00 0.70 0.00 0.00 55.95 57.59 1v86 s SER 78 Cb -0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1v86 s SER 78 CO 0.07 -1.62 0.00 0.61 1.20 0.00 0.00 173.24 173.50 1v86 n GLY 79 N 5.25 1.86 3.63 9.45 0.00 -0.88 -4.97 105.19 119.53 1v86 n GLY 79 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 3.59 0.44 4.61 0.00 -1.09 -4.95 121.76 122.37 1v86 s ALA 80 Ca 0.00 -0.20 -0.22 0.00 0.00 0.00 0.00 51.96 51.54 1v86 s ALA 80 Cb 0.00 -3.36 -0.09 0.00 0.00 0.00 0.00 23.12 19.67 1v86 s ALA 80 CO 0.00 -1.10 1.02 0.15 0.00 0.00 0.00 175.76 175.83 1v86 s LYS 81 N 3.01 4.01 -0.25 0.00 1.02 -1.26 -3.18 119.74 123.09 1v86 s LYS 81 Ca 0.36 1.36 -0.03 0.00 0.02 0.00 0.00 55.97 57.68 1v86 s LYS 81 Cb -0.14 -2.27 0.08 0.00 -0.52 0.00 0.00 37.83 34.98 1v86 s LYS 81 CO 0.10 -0.25 0.09 0.42 -0.92 0.00 0.00 175.35 174.79 1v86 s ILE 82 N -1.90 0.30 -0.13 2.17 -1.09 -0.79 -4.58 121.20 115.18 1v86 s ILE 82 Ca 0.63 -0.77 -0.24 0.00 -2.23 0.00 0.00 60.65 58.04 1v86 s ILE 82 Cb -0.17 -1.10 -0.03 0.00 -1.58 0.00 0.00 42.46 39.59 1v86 s ILE 82 CO 0.21 -0.52 0.74 -0.04 -1.23 0.00 0.00 174.94 174.11 1v86 s MET 83 N 1.93 4.34 0.17 2.79 -1.94 -1.21 0.16 119.30 125.54 1v86 s MET 83 Ca 0.06 0.89 0.10 0.00 -1.71 0.00 0.00 55.69 55.03 1v86 s MET 83 Cb -0.17 -3.52 -0.04 0.00 2.01 0.00 0.00 34.83 33.11 1v86 s MET 83 CO -0.22 -0.15 -0.18 0.08 -0.01 0.00 0.00 175.02 174.54 1v86 s VAL 84 N 1.53 2.71 0.01 -6.03 1.01 0.47 -3.83 120.40 116.27 1v86 s VAL 84 Ca 0.36 -1.80 -0.14 0.00 0.00 0.00 0.00 61.98 60.40 1v86 s VAL 84 Cb -0.17 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.93 1v86 s VAL 84 CO 0.15 -0.06 0.30 -0.69 0.00 0.00 0.00 175.10 174.80 1v86 s VAL 85 N -1.55 0.07 -5.00 2.92 1.01 -1.26 -3.76 120.40 112.82 1v86 s VAL 85 Ca 0.21 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1v86 s VAL 85 Cb -0.09 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.57 1v86 s VAL 85 CO 0.11 -0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.52 1v86 n GLY 86 N 1.03 -1.24 3.64 4.51 0.00 -1.26 -3.64 105.19 108.24 1v86 n GLY 86 Ca -0.21 -1.48 -0.04 0.00 0.00 0.00 0.00 46.02 44.29 1v86 n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v86 s SER 87 N -1.81 -0.12 0.03 1.61 0.15 -1.26 -5.11 113.70 107.19 1v86 s SER 87 Ca 0.00 0.20 -0.02 0.00 0.70 0.00 0.00 55.95 56.83 1v86 s SER 87 Cb 0.00 0.20 0.01 0.00 -1.71 0.00 0.00 66.02 64.51 1v86 s SER 87 CO 0.00 -0.05 0.11 1.07 1.20 0.00 0.00 173.24 175.57 1v86 n THR 88 N 1.39 0.00 -3.46 6.45 5.66 -1.26 -5.07 114.28 117.99 1v86 n THR 88 Ca -0.08 -0.08 -0.27 0.00 -3.05 0.00 0.00 64.05 60.57 1v86 n THR 88 Cb 0.57 0.10 -0.10 0.00 -1.55 0.00 0.00 70.33 69.35 1v86 n THR 88 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1v86 n ILE 89 N -0.08 -0.12 -2.74 1.09 2.08 -1.26 -5.11 119.36 113.22 1v86 n ILE 89 Ca -0.00 -4.05 -0.31 0.00 0.56 0.00 0.00 62.75 58.95 1v86 n ILE 89 Cb 0.07 -1.88 -0.04 0.00 -0.75 0.00 0.00 39.64 37.04 1v86 n ILE 89 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1v86 s SER 90 N -0.80 6.60 -0.10 4.38 0.15 -1.26 -5.08 113.70 117.60 1v86 s SER 90 Ca 0.32 1.32 -0.03 0.00 0.70 0.00 0.00 55.95 58.26 1v86 s SER 90 Cb 0.06 -2.40 0.04 0.00 -1.71 0.00 0.00 66.02 62.01 1v86 s SER 90 CO -0.16 -0.44 0.07 -0.83 1.20 0.00 0.00 173.24 173.09 1v86 s GLY 91 N -2.98 0.29 1.08 9.45 0.00 -1.26 -5.15 107.32 108.75 1v86 s GLY 91 Ca 0.55 -0.04 -0.18 0.00 0.00 0.00 0.00 44.72 45.05 1v86 s GLY 91 CO 0.29 1.52 1.22 2.56 0.00 0.00 0.00 173.10 178.69 1v86 s PRO 92 N 2.14 -0.32 0.00 2.90 0.04 -1.26 -5.09 135.00 133.41 1v86 s PRO 92 Ca 0.04 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 60.82 1v86 s PRO 92 Cb -0.14 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1v86 s PRO 92 CO -0.06 -3.08 0.00 0.45 0.04 0.00 0.00 177.00 174.36 1v86 n SER 93 N -4.27 0.00 -3.65 6.66 2.88 -1.26 -5.18 113.62 108.81 1v86 n SER 93 Ca 0.14 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.68 1v86 n SER 93 Cb 0.59 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.99 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 0.00 -0.13 0.00 -3.46 0.15 -1.26 -5.37 113.70 103.62 1v86 s SER 94 Ca 0.00 0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.88 1v86 s SER 94 Cb 0.00 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 65.04 1v86 s SER 94 CO 0.00 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.01