#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v86 s SER 2 N 0.00 -0.69 -0.29 1.61 0.15 -1.26 -5.15 113.70 108.07 1v86 s SER 2 Ca 0.00 1.17 -0.16 0.00 0.70 0.00 0.00 55.95 57.67 1v86 s SER 2 Cb 0.00 1.09 0.15 0.00 -1.71 0.00 0.00 66.02 65.55 1v86 s SER 2 CO 0.00 -0.21 0.97 -0.94 1.20 0.00 0.00 173.24 174.26 1v86 s SER 3 N 1.20 -0.55 0.13 5.45 1.04 -1.26 -5.18 113.70 114.53 1v86 s SER 3 Ca -0.07 0.83 -0.25 0.00 0.48 0.00 0.00 55.95 56.94 1v86 s SER 3 Cb -0.06 1.38 0.08 0.00 0.10 0.00 0.00 66.02 67.52 1v86 s SER 3 CO -0.12 -0.13 1.05 -0.83 0.98 0.00 0.00 173.24 174.19 1v86 s GLY 4 N 1.74 -0.18 0.42 7.32 0.00 -1.26 -5.09 107.32 110.28 1v86 s GLY 4 Ca -0.07 0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.76 1v86 s GLY 4 CO -0.16 0.71 0.00 -1.26 0.00 0.00 0.00 173.10 172.39 1v86 n SER 5 N -0.67 -3.30 -1.33 1.64 2.88 -1.26 -5.17 113.62 106.41 1v86 n SER 5 Ca -0.06 0.80 0.00 0.00 -1.33 0.00 0.00 58.87 58.28 1v86 n SER 5 Cb 0.61 3.13 0.00 0.00 -0.75 0.00 0.00 64.21 67.19 1v86 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1v86 n SER 6 N -3.42 -7.19 -3.78 -3.46 7.64 -1.26 -5.02 113.62 97.12 1v86 n SER 6 Ca 0.00 1.46 -0.13 0.00 1.01 0.00 0.00 58.87 61.21 1v86 n SER 6 Cb 0.00 -4.07 -0.13 0.00 -1.01 0.00 0.00 64.21 59.00 1v86 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1v86 s GLY 7 N -4.59 -0.07 0.12 0.23 0.00 -1.26 -5.16 107.32 96.59 1v86 s GLY 7 Ca 0.00 0.55 -0.11 0.00 0.00 0.00 0.00 44.72 45.16 1v86 s GLY 7 CO 0.00 0.68 0.27 0.99 0.00 0.00 0.00 173.10 175.04 1v86 s ASP 8 N 0.63 0.01 0.09 1.64 1.01 -1.26 -5.18 116.67 113.61 1v86 s ASP 8 Ca -0.05 -0.64 -0.27 0.00 0.71 0.00 0.00 52.55 52.30 1v86 s ASP 8 Cb -0.06 0.41 0.09 0.00 1.01 0.00 0.00 42.92 44.36 1v86 s ASP 8 CO -0.03 -0.82 1.10 0.00 0.21 0.00 0.00 175.17 175.63 1v86 s ALA 9 N -3.88 -1.89 0.00 5.23 0.00 -1.26 -5.19 121.76 114.77 1v86 s ALA 9 Ca 0.08 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1v86 s ALA 9 Cb 0.04 0.56 0.00 0.00 0.00 0.00 0.00 23.12 23.71 1v86 s ALA 9 CO -0.08 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.04 1v86 n GLY 10 N -0.52 5.60 0.00 0.00 0.00 -1.26 -5.17 105.19 103.85 1v86 n GLY 10 Ca -0.06 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 0.94 3.50 0.00 -0.02 0.00 -1.26 -5.15 105.19 103.20 1v86 n GLY 11 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.60 4.38 -0.02 0.00 -1.26 -5.01 105.19 101.69 1v86 n GLY 12 Ca 0.00 0.66 -0.41 0.00 0.00 0.00 0.00 46.02 46.27 1v86 n GLY 12 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1v86 n VAL 13 N 0.00 -0.00 0.00 1.61 0.24 -1.26 -4.47 118.33 114.44 1v86 n VAL 13 Ca 0.00 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1v86 n VAL 13 Cb 0.00 -0.48 0.00 0.00 -1.47 0.00 0.00 33.84 31.89 1v86 n VAL 13 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1v86 n GLY 14 N -1.04 -1.26 2.92 7.63 0.00 -1.26 -5.13 105.19 107.05 1v86 n GLY 14 Ca 0.11 0.35 -0.15 0.00 0.00 0.00 0.00 46.02 46.33 1v86 n GLY 14 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1v86 s LYS 15 N -0.22 0.09 -0.26 1.61 -2.85 -1.26 -5.12 119.74 111.73 1v86 s LYS 15 Ca 0.00 0.54 -0.29 0.00 -1.00 0.00 0.00 55.97 55.22 1v86 s LYS 15 Cb 0.00 -0.18 0.01 0.00 -2.06 0.00 0.00 37.83 35.59 1v86 s LYS 15 CO 0.00 -0.24 1.12 -2.00 0.10 0.00 0.00 175.35 174.33 1v86 s GLU 16 N 1.86 4.15 0.72 1.78 2.56 -1.26 -4.98 118.70 123.52 1v86 s GLU 16 Ca -0.02 1.30 -0.17 0.00 0.00 0.00 0.00 54.97 56.07 1v86 s GLU 16 Cb -0.12 -3.73 -0.15 0.00 2.00 0.00 0.00 34.13 32.14 1v86 s GLU 16 CO -0.07 -0.80 -0.42 1.28 -0.56 0.00 0.00 175.26 174.69 1v86 n LEU 17 N 6.72 -4.69 -4.82 2.70 7.99 -1.26 -4.89 117.00 118.76 1v86 n LEU 17 Ca 0.13 0.44 -0.37 0.00 -0.01 0.00 0.00 56.01 56.19 1v86 n LEU 17 Cb 0.46 -0.80 -0.06 0.00 -0.11 0.00 0.00 43.42 42.91 1v86 n LEU 17 CO 0.57 -5.31 0.30 0.54 -1.51 0.00 0.00 177.39 171.98 1v86 s VAL 18 N -1.98 4.72 -0.35 4.08 0.11 0.42 -4.73 120.40 122.66 1v86 s VAL 18 Ca 0.49 1.16 -0.25 0.00 -2.93 0.00 0.00 61.98 60.45 1v86 s VAL 18 Cb -0.35 -3.87 0.01 0.00 -1.53 0.00 0.00 36.38 30.64 1v86 s VAL 18 CO 0.73 0.42 0.87 -1.81 -3.33 0.00 0.00 175.10 171.98 1v86 s ASP 19 N -1.35 6.66 0.06 3.54 1.01 -1.26 -2.29 116.67 123.03 1v86 s ASP 19 Ca 0.34 0.56 0.07 0.00 0.71 0.00 0.00 52.55 54.23 1v86 s ASP 19 Cb -0.18 -2.44 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 1v86 s ASP 19 CO 0.20 -0.79 -0.20 -0.76 0.21 0.00 0.00 175.17 173.83 1v86 s LEU 20 N 3.30 2.20 -0.25 1.23 1.43 -1.16 0.61 118.68 126.05 1v86 s LEU 20 Ca 0.36 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 52.79 1v86 s LEU 20 Cb -0.13 -0.92 -0.05 0.00 0.03 0.00 0.00 46.19 45.12 1v86 s LEU 20 CO 0.17 0.12 0.17 -0.54 0.23 0.00 0.00 176.35 176.50 1v86 s LYS 21 N -1.37 4.05 -1.00 1.70 1.02 -1.21 -3.49 119.74 119.43 1v86 s LYS 21 Ca 0.07 -0.28 -0.19 0.00 0.02 0.00 0.00 55.97 55.59 1v86 s LYS 21 Cb -0.09 -3.56 0.12 0.00 -0.52 0.00 0.00 37.83 33.78 1v86 s LYS 21 CO 0.02 0.02 1.25 0.42 -0.92 0.00 0.00 175.35 176.14 1v86 s ILE 22 N 1.18 4.63 0.02 2.17 -1.09 -0.97 -2.18 121.20 124.96 1v86 s ILE 22 Ca 0.07 -1.64 -0.30 0.00 -2.23 0.00 0.00 60.65 56.56 1v86 s ILE 22 Cb -0.14 -4.86 -0.04 0.00 -1.58 0.00 0.00 42.46 35.85 1v86 s ILE 22 CO 0.06 -1.61 0.99 -0.63 -1.23 0.00 0.00 174.94 172.51 1v86 s ILE 23 N 2.91 4.76 -0.30 2.92 -1.09 0.21 -3.09 121.20 127.52 1v86 s ILE 23 Ca 0.37 2.04 -0.04 0.00 -2.23 0.00 0.00 60.65 60.79 1v86 s ILE 23 Cb -0.03 -4.30 0.18 0.00 -1.58 0.00 0.00 42.46 36.72 1v86 s ILE 23 CO -0.07 0.19 0.66 0.86 -1.23 0.00 0.00 174.94 175.34 1v86 s TRP 24 N 0.82 -1.46 0.00 3.97 -0.00 -1.14 0.51 118.94 121.63 1v86 s TRP 24 Ca 0.51 1.69 0.00 0.00 -0.00 0.00 0.00 56.10 58.30 1v86 s TRP 24 Cb -0.22 0.57 0.00 0.00 -0.00 0.00 0.00 33.47 33.82 1v86 s TRP 24 CO 0.28 -0.79 0.00 0.09 -0.00 0.00 0.00 176.95 176.54 1v86 n ASN 25 N 5.43 0.00 -2.11 5.86 3.02 -1.26 -1.81 115.26 124.40 1v86 n ASN 25 Ca -0.03 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.50 1v86 n ASN 25 Cb 0.51 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.75 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 0.77 -4.26 3.52 4.76 -1.26 -5.14 118.16 116.55 1v86 n LYS 26 Ca 0.00 -0.73 -0.22 0.00 -2.87 0.00 0.00 58.31 54.49 1v86 n LYS 26 Cb 0.00 0.28 -0.12 0.00 -1.84 0.00 0.00 35.03 33.35 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 0.07 1.49 -0.33 -0.18 -4.23 -0.75 -5.12 115.64 106.60 1v86 s THR 27 Ca 0.05 -1.43 0.01 0.00 -1.18 0.00 0.00 61.69 59.14 1v86 s THR 27 Cb 0.25 -1.37 0.10 0.00 1.34 0.00 0.00 72.50 72.83 1v86 s THR 27 CO -0.07 -0.10 0.09 -1.59 -0.54 0.00 0.00 174.62 172.40 1v86 s LYS 28 N -1.79 0.97 -0.22 3.99 -2.85 -1.26 -2.88 119.74 115.70 1v86 s LYS 28 Ca 0.03 -1.36 -0.17 0.00 -1.00 0.00 0.00 55.97 53.47 1v86 s LYS 28 Cb -0.10 -2.38 -0.04 0.00 -2.06 0.00 0.00 37.83 33.26 1v86 s LYS 28 CO 0.03 -0.98 0.44 -1.01 0.10 0.00 0.00 175.35 173.93 1v86 s HIS 29 N 1.34 3.33 -0.38 1.78 3.76 -1.18 -4.87 115.29 119.07 1v86 s HIS 29 Ca 0.11 0.61 -0.28 0.00 -0.15 0.00 0.00 55.06 55.35 1v86 s HIS 29 Cb -0.18 -2.60 0.02 0.00 1.11 0.00 0.00 32.58 30.93 1v86 s HIS 29 CO -0.19 -0.11 1.03 0.16 -0.85 0.00 0.00 174.74 174.78 1v86 s ASP 30 N 1.26 6.75 -0.01 1.40 -4.77 -1.26 -2.30 116.67 117.74 1v86 s ASP 30 Ca 0.20 0.71 0.01 0.00 -3.30 0.00 0.00 52.55 50.16 1v86 s ASP 30 Cb -0.15 -2.51 0.00 0.00 -1.09 0.00 0.00 42.92 39.16 1v86 s ASP 30 CO 0.09 -0.97 -0.03 0.68 0.70 0.00 0.00 175.17 175.63 1v86 s VAL 31 N 3.80 0.26 -0.16 2.11 -7.23 -1.23 -5.06 120.40 112.89 1v86 s VAL 31 Ca 0.43 -0.12 -0.05 0.00 -1.81 0.00 0.00 61.98 60.44 1v86 s VAL 31 Cb -0.11 -0.23 -0.03 0.00 0.56 0.00 0.00 36.38 36.57 1v86 s VAL 31 CO 0.21 0.08 -0.00 -1.59 -0.31 0.00 0.00 175.10 173.49 1v86 s LYS 32 N 0.03 3.71 0.02 4.82 -2.85 -1.26 -2.98 119.74 121.23 1v86 s LYS 32 Ca 0.00 -0.45 -0.06 0.00 -1.00 0.00 0.00 55.97 54.46 1v86 s LYS 32 Cb -0.03 -3.00 -0.00 0.00 -2.06 0.00 0.00 37.83 32.74 1v86 s LYS 32 CO -0.00 0.30 0.12 0.14 0.10 0.00 0.00 175.35 176.01 1v86 s VAL 33 N 0.23 0.11 0.41 1.79 -7.23 -0.97 -4.88 120.40 109.86 1v86 s VAL 33 Ca -0.00 -0.89 -0.24 0.00 -1.81 0.00 0.00 61.98 59.04 1v86 s VAL 33 Cb -0.13 -0.67 -0.09 0.00 0.56 0.00 0.00 36.38 36.05 1v86 s VAL 33 CO 0.02 -0.49 1.05 -2.16 -0.31 0.00 0.00 175.10 173.21 1v86 s PRO 34 N -2.02 4.11 0.40 4.82 0.04 -1.26 0.16 135.00 141.25 1v86 s PRO 34 Ca -0.10 1.50 0.28 0.00 0.04 0.00 0.00 61.00 62.72 1v86 s PRO 34 Cb -0.04 -2.48 0.93 0.00 0.04 0.00 0.00 34.50 32.95 1v86 s PRO 34 CO -0.02 -0.19 1.80 1.25 0.04 0.00 0.00 177.00 179.88 1v86 h LEU 35 N 2.37 0.00 -1.44 -3.56 5.85 -1.94 -2.49 115.31 114.10 1v86 h LEU 35 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1v86 h LEU 35 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1v86 h LEU 35 CO 0.62 0.00 0.00 0.44 -0.34 0.00 0.00 178.44 179.16 1v86 h ASP 36 N 0.00 0.00 -3.78 1.25 5.19 -1.98 -2.90 116.42 114.20 1v86 h ASP 36 Ca 0.00 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.85 1v86 h ASP 36 Cb 0.64 0.00 0.16 0.00 0.18 0.00 0.00 39.33 40.31 1v86 h ASP 36 CO 0.00 0.00 0.33 -1.20 -3.12 0.00 0.00 179.24 175.25 1v86 n SER 37 N -2.77 1.55 -4.82 6.45 7.64 -0.94 -4.83 113.62 115.90 1v86 n SER 37 Ca 0.00 0.86 -0.37 0.00 1.01 0.00 0.00 58.87 60.38 1v86 n SER 37 Cb 0.23 -1.47 -0.06 0.00 -1.01 0.00 0.00 64.21 61.90 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 -1.42 4.75 0.59 0.44 -4.23 -1.26 -2.32 115.64 112.19 1v86 s THR 38 Ca 0.76 1.09 0.35 0.00 -1.18 0.00 0.00 61.69 62.70 1v86 s THR 38 Cb -0.41 -3.83 0.51 0.00 1.34 0.00 0.00 72.50 70.10 1v86 s THR 38 CO 0.46 0.37 1.48 1.23 -0.54 0.00 0.00 174.62 177.62 1v86 h GLY 39 N 3.96 0.00 0.57 3.99 0.00 -1.60 1.40 103.07 111.40 1v86 h GLY 39 Ca -0.49 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 1v86 h GLY 39 CO 0.65 0.00 -0.24 0.23 0.00 0.00 0.00 176.54 177.18 1v86 h SER 40 N 0.00 0.28 -1.01 0.19 0.87 -1.83 -3.19 113.55 108.86 1v86 h SER 40 Ca 0.60 -0.67 0.23 0.00 -1.23 0.00 0.00 61.79 60.73 1v86 h SER 40 Cb 2.97 -0.08 -0.12 0.00 -0.44 0.00 0.00 62.40 64.73 1v86 h SER 40 CO -0.01 0.91 0.61 -0.33 -0.53 0.00 0.00 176.83 177.48 1v86 h GLU 41 N -0.32 0.59 -0.96 2.24 5.08 0.15 0.24 114.58 121.60 1v86 h GLU 41 Ca -0.02 -0.04 0.18 0.00 -1.00 0.00 0.00 59.36 58.49 1v86 h GLU 41 Cb 0.91 -0.13 -0.17 0.00 0.50 0.00 0.00 28.75 29.85 1v86 h GLU 41 CO 0.05 0.39 -0.28 -0.07 -1.00 0.00 0.00 179.01 178.10 1v86 h LEU 42 N 0.61 -1.05 -0.17 1.33 3.38 -1.47 1.10 115.31 119.04 1v86 h LEU 42 Ca 0.62 0.29 0.03 0.00 0.09 0.00 0.00 57.88 58.91 1v86 h LEU 42 Cb 1.17 0.64 -0.05 0.00 0.09 0.00 0.00 40.66 42.51 1v86 h LEU 42 CO -0.43 -0.31 -0.40 0.11 0.09 0.00 0.00 178.44 177.49 1v86 h LYS 43 N -0.01 -0.37 0.00 1.13 6.56 -1.10 1.73 116.57 124.52 1v86 h LYS 43 Ca 0.42 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 60.04 1v86 h LYS 43 Cb 0.67 0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.42 1v86 h LYS 43 CO -0.98 -0.25 0.00 1.96 -2.06 0.00 0.00 179.45 178.12 1v86 h GLN 44 N -0.38 0.00 0.00 3.15 4.20 -0.66 1.33 115.11 122.75 1v86 h GLN 44 Ca 0.03 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.52 1v86 h GLN 44 Cb 0.48 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 1v86 h GLN 44 CO -0.36 0.00 -1.11 -0.22 -0.67 0.00 0.00 178.83 176.47 1v86 h LYS 45 N 0.00 0.01 0.10 1.46 1.63 0.67 -2.45 116.57 117.99 1v86 h LYS 45 Ca 0.00 -0.01 -0.36 0.00 -0.85 0.00 0.00 60.65 59.43 1v86 h LYS 45 Cb 0.09 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 1v86 h LYS 45 CO 0.00 0.93 -1.99 -0.89 -3.45 0.00 0.00 179.45 174.05 1v86 n ILE 46 N -3.31 1.74 0.16 2.00 5.41 0.53 -4.00 119.36 121.90 1v86 n ILE 46 Ca -0.03 -0.67 0.04 0.00 1.00 0.00 0.00 62.75 63.08 1v86 n ILE 46 Cb 0.96 -1.61 0.43 0.00 -0.71 0.00 0.00 39.64 38.71 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 0.06 0.14 0.00 1.39 -0.00 0.15 1.12 115.15 118.01 1v86 h HIS 47 Ca -0.42 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 59.94 1v86 h HIS 47 Cb 2.03 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 29.40 1v86 h HIS 47 CO 0.06 0.29 0.00 0.43 -0.00 0.00 0.00 177.93 178.72 1v86 n SER 48 N -4.29 0.30 0.01 3.26 7.64 -0.92 -0.57 113.62 119.05 1v86 n SER 48 Ca -0.01 0.59 -0.02 0.00 1.01 0.00 0.00 58.87 60.43 1v86 n SER 48 Cb 0.26 -0.65 -0.01 0.00 -1.01 0.00 0.00 64.21 62.81 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 -1.85 1.27 -0.20 0.44 5.41 -0.01 -4.67 119.36 119.75 1v86 n ILE 49 Ca 0.02 0.33 0.17 0.00 1.00 0.00 0.00 62.75 64.27 1v86 n ILE 49 Cb 0.15 -1.79 0.52 0.00 -0.71 0.00 0.00 39.64 37.81 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 -0.28 0.74 0.00 1.39 1.35 0.11 -3.45 112.91 112.78 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 0.28 0.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.00 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 2.04 3.94 5.82 0.00 0.26 -5.00 105.19 110.73 1v86 n GLY 51 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 3.23 0.36 0.99 2.34 -1.26 -5.02 118.68 119.32 1v86 s LEU 52 Ca 0.00 0.34 -0.26 0.00 0.06 0.00 0.00 54.13 54.27 1v86 s LEU 52 Cb 0.00 -3.15 -0.09 0.00 -0.56 0.00 0.00 46.19 42.39 1v86 s LEU 52 CO 0.00 -1.14 1.06 -2.16 -1.06 0.00 0.00 176.35 173.06 1v86 s PRO 53 N -4.89 4.33 0.20 1.48 0.04 -1.26 -4.60 135.00 130.30 1v86 s PRO 53 Ca 0.55 1.61 0.06 0.00 0.04 0.00 0.00 61.00 63.26 1v86 s PRO 53 Cb -0.10 -2.77 0.11 0.00 0.04 0.00 0.00 34.50 31.78 1v86 s PRO 53 CO 0.41 -0.02 1.46 -1.00 0.04 0.00 0.00 177.00 177.90 1v86 h PRO 54 N 2.95 0.11 -0.44 0.56 0.13 -1.95 -3.03 132.00 130.33 1v86 h PRO 54 Ca -0.48 -0.11 0.10 0.00 -0.87 0.00 0.00 66.00 64.64 1v86 h PRO 54 Cb 1.21 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1v86 h PRO 54 CO 0.64 0.83 0.31 0.00 -0.23 0.00 0.00 178.00 179.55 1v86 h ALA 55 N 1.13 2.19 -0.74 -0.56 0.00 -2.00 0.20 119.26 119.48 1v86 h ALA 55 Ca -0.02 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.51 1v86 h ALA 55 Cb 1.36 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.91 1v86 h ALA 55 CO 0.11 -0.30 0.35 -1.33 0.00 0.00 0.00 179.25 178.09 1v86 n MET 56 N -4.45 2.21 -4.27 0.00 2.81 -1.15 -4.96 117.12 107.31 1v86 n MET 56 Ca 0.07 -3.08 -0.27 0.00 -1.81 0.00 0.00 57.70 52.61 1v86 n MET 56 Cb 0.39 -2.05 -0.09 0.00 -0.71 0.00 0.00 33.22 30.77 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 -3.26 2.16 -0.42 0.03 -0.21 0.69 -4.52 119.66 114.14 1v86 s GLN 57 Ca 0.52 -1.23 0.02 0.00 0.02 0.00 0.00 55.36 54.69 1v86 s GLN 57 Cb 0.45 -2.21 0.13 0.00 1.00 0.00 0.00 33.01 32.37 1v86 s GLN 57 CO 0.07 0.44 0.21 0.21 -2.12 0.00 0.00 175.29 174.10 1v86 s LYS 58 N -2.89 1.26 -0.38 2.91 2.36 -1.26 -4.95 119.74 116.78 1v86 s LYS 58 Ca 0.26 -1.92 -0.27 0.00 -2.55 0.00 0.00 55.97 51.49 1v86 s LYS 58 Cb -0.09 -2.39 0.02 0.00 -1.05 0.00 0.00 37.83 34.32 1v86 s LYS 58 CO 0.16 -1.13 0.97 0.08 1.55 0.00 0.00 175.35 176.98 1v86 s VAL 59 N 0.50 4.53 -0.18 4.02 1.01 -1.26 -4.20 120.40 124.81 1v86 s VAL 59 Ca 0.16 1.23 -0.06 0.00 0.00 0.00 0.00 61.98 63.30 1v86 s VAL 59 Cb -0.24 -4.38 0.08 0.00 0.00 0.00 0.00 36.38 31.84 1v86 s VAL 59 CO -0.03 -0.60 0.37 -0.04 0.00 0.00 0.00 175.10 174.80 1v86 s MET 60 N 3.62 0.28 -0.29 2.72 -1.94 -1.25 -4.00 119.30 118.43 1v86 s MET 60 Ca 0.40 0.94 0.01 0.00 -1.71 0.00 0.00 55.69 55.33 1v86 s MET 60 Cb -0.11 0.21 0.09 0.00 2.01 0.00 0.00 34.83 37.03 1v86 s MET 60 CO 0.20 -0.25 0.04 -0.47 -0.01 0.00 0.00 175.02 174.53 1v86 s TYR 61 N 2.48 2.40 -1.08 -0.03 5.04 -1.26 -3.65 117.35 121.25 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 -0.12 -0.85 0.00 1.63 -1.34 0.00 0.00 175.55 174.87 1v86 n LYS 62 N 4.65 -1.58 0.00 4.97 5.02 -1.26 -4.68 118.16 125.28 1v86 n LYS 62 Ca -0.03 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.86 1v86 n LYS 62 Cb 0.43 -4.92 0.00 0.00 -0.02 0.00 0.00 35.03 30.51 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 -0.38 3.92 3.66 0.72 0.00 -1.26 -5.11 105.19 106.74 1v86 n GLY 63 Ca -0.11 -1.17 -0.44 0.00 0.00 0.00 0.00 46.02 44.30 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 2.90 -4.29 0.99 7.99 -1.26 -4.67 117.00 118.65 1v86 n LEU 64 Ca 0.00 1.19 -0.40 0.00 -0.01 0.00 0.00 56.01 56.79 1v86 n LEU 64 Cb 0.00 -1.41 -0.11 0.00 -0.11 0.00 0.00 43.42 41.79 1v86 n LEU 64 CO 0.00 -0.78 -0.14 -0.69 -1.51 0.00 0.00 177.39 174.27 1v86 s VAL 65 N -0.90 4.23 0.18 4.08 1.01 -1.26 -4.86 120.40 122.87 1v86 s VAL 65 Ca 0.59 -1.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 1v86 s VAL 65 Cb -0.63 -3.51 -0.08 0.00 0.00 0.00 0.00 36.38 32.16 1v86 s VAL 65 CO 0.59 -0.40 1.12 -2.16 0.00 0.00 0.00 175.10 174.25 1v86 s PRO 66 N 1.45 4.57 0.24 2.72 0.04 -1.26 -4.93 135.00 137.83 1v86 s PRO 66 Ca 0.02 1.75 0.25 0.00 0.04 0.00 0.00 61.00 63.06 1v86 s PRO 66 Cb -0.22 -3.27 0.70 0.00 0.04 0.00 0.00 34.50 31.75 1v86 s PRO 66 CO 0.03 0.04 1.72 0.93 0.04 0.00 0.00 177.00 179.76 1v86 h GLU 67 N 5.14 0.00 -0.00 4.56 5.08 -1.96 -2.95 114.58 124.45 1v86 h GLU 67 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 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 0.73 0.00 -0.00 -0.25 -1.00 0.00 0.00 179.01 178.49 1v86 n ASP 68 N -2.40 0.01 -4.03 1.42 9.92 -1.26 -4.16 116.55 116.05 1v86 n ASP 68 Ca 0.05 -0.41 -0.19 0.00 -0.53 0.00 0.00 54.79 53.71 1v86 n ASP 68 Cb 0.45 -0.19 -0.15 0.00 -0.64 0.00 0.00 41.12 40.59 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 -2.39 0.79 0.79 -1.24 -0.14 -1.11 -5.03 119.74 111.41 1v86 s LYS 69 Ca 0.35 -0.35 -0.12 0.00 -1.36 0.00 0.00 55.97 54.49 1v86 s LYS 69 Cb 0.21 -0.77 0.06 0.00 -1.68 0.00 0.00 37.83 35.66 1v86 s LYS 69 CO 0.43 0.21 1.11 0.95 -0.76 0.00 0.00 175.35 177.29 1v86 s THR 70 N -0.22 2.93 0.10 2.17 -4.23 -1.26 -2.16 115.64 112.98 1v86 s THR 70 Ca 0.04 0.30 -0.33 0.00 -1.18 0.00 0.00 61.69 60.52 1v86 s THR 70 Cb -0.04 -3.15 -0.14 0.00 1.34 0.00 0.00 72.50 70.52 1v86 s THR 70 CO -0.00 -0.40 1.53 -0.07 -0.54 0.00 0.00 174.62 175.14 1v86 h LEU 71 N -1.01 -1.53 -1.94 4.79 3.38 -1.50 1.76 115.31 119.26 1v86 h LEU 71 Ca -0.47 0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1v86 h LEU 71 Cb 1.28 0.57 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1v86 h LEU 71 CO 0.62 -0.53 0.22 -0.09 0.09 0.00 0.00 178.44 178.75 1v86 h ARG 72 N -0.71 0.00 0.10 1.13 2.43 -1.74 0.29 114.38 115.88 1v86 h ARG 72 Ca -0.00 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.85 1v86 h ARG 72 Cb 0.72 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 1v86 h ARG 72 CO -0.28 0.00 -1.68 0.93 -1.51 0.00 0.00 179.97 177.43 1v86 h GLU 73 N 0.00 0.20 0.00 0.20 5.08 -0.31 -3.32 114.58 116.43 1v86 h GLU 73 Ca 0.00 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1v86 h GLU 73 Cb 0.44 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1v86 h GLU 73 CO 0.00 1.17 0.00 0.44 -1.00 0.00 0.00 179.01 179.62 1v86 n ILE 74 N -3.82 0.11 -1.10 3.13 -6.64 0.55 -4.89 119.36 106.70 1v86 n ILE 74 Ca -0.30 0.03 0.00 0.00 -1.77 0.00 0.00 62.75 60.71 1v86 n ILE 74 Cb 0.93 -0.63 0.00 0.00 -1.44 0.00 0.00 39.64 38.50 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 -1.14 0.00 -4.08 6.28 5.02 0.81 -5.04 118.16 120.01 1v86 n LYS 75 Ca 0.15 0.37 -0.13 0.00 -2.02 0.00 0.00 58.31 56.67 1v86 n LYS 75 Cb 0.14 -0.98 -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 -0.50 0.44 0.11 -0.18 1.01 -0.68 -4.94 120.40 115.67 1v86 s VAL 76 Ca 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1v86 s VAL 76 Cb 0.00 -0.48 -0.00 0.00 0.00 0.00 0.00 36.38 35.90 1v86 s VAL 76 CO 0.00 -0.23 0.13 0.35 0.00 0.00 0.00 175.10 175.35 1v86 n THR 77 N 1.98 0.00 -2.39 3.92 -2.24 -1.26 -4.50 114.28 109.79 1v86 n THR 77 Ca -0.20 -0.69 -0.42 0.00 -2.27 0.00 0.00 64.05 60.48 1v86 n THR 77 Cb 0.56 0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 69.15 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 -1.74 6.25 0.00 3.42 1.04 -1.26 -2.83 113.70 118.58 1v86 s SER 78 Ca 0.11 0.53 0.00 0.00 0.48 0.00 0.00 55.95 57.08 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 0.08 -1.56 0.00 0.61 0.98 0.00 0.00 173.24 173.35 1v86 n GLY 79 N 5.15 1.84 3.65 7.32 0.00 0.20 -4.89 105.19 118.47 1v86 n GLY 79 Ca 0.14 0.00 -0.42 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 3.62 0.47 4.61 0.00 -1.13 -4.92 121.76 122.41 1v86 s ALA 80 Ca 0.00 -0.06 -0.23 0.00 0.00 0.00 0.00 51.96 51.67 1v86 s ALA 80 Cb 0.00 -3.30 -0.07 0.00 0.00 0.00 0.00 23.12 19.75 1v86 s ALA 80 CO 0.00 -0.86 1.21 0.21 0.00 0.00 0.00 175.76 176.32 1v86 s LYS 81 N 2.69 3.69 -0.22 0.00 2.20 -1.26 -3.32 119.74 123.52 1v86 s LYS 81 Ca 0.37 1.88 -0.04 0.00 -0.36 0.00 0.00 55.97 57.82 1v86 s LYS 81 Cb -0.16 -2.42 0.07 0.00 -1.51 0.00 0.00 37.83 33.81 1v86 s LYS 81 CO 0.09 -0.64 0.09 0.42 -0.36 0.00 0.00 175.35 174.94 1v86 s ILE 82 N -1.48 0.14 -0.04 5.43 -1.09 -0.93 -4.65 121.20 118.58 1v86 s ILE 82 Ca 0.64 -0.50 -0.21 0.00 -2.23 0.00 0.00 60.65 58.35 1v86 s ILE 82 Cb -0.31 -0.87 -0.05 0.00 -1.58 0.00 0.00 42.46 39.65 1v86 s ILE 82 CO 0.38 -0.40 0.62 -0.32 -1.23 0.00 0.00 174.94 173.99 1v86 s MET 83 N 2.02 4.37 -0.04 2.79 1.75 -1.24 0.67 119.30 129.63 1v86 s MET 83 Ca 0.04 0.75 0.07 0.00 -1.25 0.00 0.00 55.69 55.30 1v86 s MET 83 Cb -0.16 -3.40 -0.02 0.00 2.84 0.00 0.00 34.83 34.09 1v86 s MET 83 CO -0.17 0.22 -0.24 0.08 -0.65 0.00 0.00 175.02 174.27 1v86 s VAL 84 N 0.29 2.20 0.43 10.11 1.01 0.18 -3.91 120.40 130.72 1v86 s VAL 84 Ca 0.33 -1.04 0.08 0.00 0.00 0.00 0.00 61.98 61.35 1v86 s VAL 84 Cb -0.18 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.43 1v86 s VAL 84 CO 0.17 0.58 0.58 0.68 0.00 0.00 0.00 175.10 177.10 1v86 s VAL 85 N -0.50 2.95 0.00 2.92 -7.23 -1.26 -4.19 120.40 113.10 1v86 s VAL 85 Ca 0.06 -1.00 0.00 0.00 -1.81 0.00 0.00 61.98 59.23 1v86 s VAL 85 Cb -0.11 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 33.87 1v86 s VAL 85 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 1v86 n GLY 86 N -1.87 -0.65 2.54 2.32 0.00 -1.26 -4.66 105.19 101.62 1v86 n GLY 86 Ca 0.08 -2.19 -0.04 0.00 0.00 0.00 0.00 46.02 43.88 1v86 n GLY 86 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v86 n SER 87 N 0.00 -3.51 -3.70 1.61 2.88 -1.26 -4.89 113.62 104.74 1v86 n SER 87 Ca 0.00 1.48 -0.14 0.00 -1.33 0.00 0.00 58.87 58.89 1v86 n SER 87 Cb 0.00 -4.94 -0.09 0.00 -0.75 0.00 0.00 64.21 58.43 1v86 n SER 87 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1v86 s THR 88 N -0.59 0.01 -0.67 2.46 -1.32 -1.26 -4.98 115.64 109.30 1v86 s THR 88 Ca -0.18 -0.12 -0.13 0.00 -1.21 0.00 0.00 61.69 60.05 1v86 s THR 88 Cb 0.01 -0.68 0.02 0.00 -1.51 0.00 0.00 72.50 70.34 1v86 s THR 88 CO 0.49 -0.06 0.64 -0.38 -2.21 0.00 0.00 174.62 173.09 1v86 n ILE 89 N 2.23 -5.11 -2.00 5.08 2.08 -1.26 -4.44 119.36 115.94 1v86 n ILE 89 Ca -0.16 0.06 0.00 0.00 0.56 0.00 0.00 62.75 63.21 1v86 n ILE 89 Cb 0.57 -4.04 0.00 0.00 -0.75 0.00 0.00 39.64 35.42 1v86 n ILE 89 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1v86 n SER 90 N -1.58 -8.86 -2.72 4.38 2.88 -1.26 -5.06 113.62 101.40 1v86 n SER 90 Ca -0.17 1.34 -0.06 0.00 -1.33 0.00 0.00 58.87 58.65 1v86 n SER 90 Cb 0.65 -4.96 0.01 0.00 -0.75 0.00 0.00 64.21 59.15 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 1.65 2.58 3.55 0.46 0.00 -1.26 -5.03 105.19 107.14 1v86 n GLY 91 Ca 0.00 -2.18 -0.39 0.00 0.00 0.00 0.00 46.02 43.45 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 -2.60 2.94 -0.16 1.61 0.04 -1.26 -4.97 135.00 130.59 1v86 s PRO 92 Ca 0.11 0.05 -0.06 0.00 0.04 0.00 0.00 61.00 61.13 1v86 s PRO 92 Cb -0.01 -4.42 -0.04 0.00 0.04 0.00 0.00 34.50 30.07 1v86 s PRO 92 CO 0.07 -2.49 0.04 0.45 0.04 0.00 0.00 177.00 175.11 1v86 s SER 93 N 5.98 5.49 -0.09 6.66 0.15 -1.26 -4.79 113.70 125.85 1v86 s SER 93 Ca 0.52 0.09 -0.03 0.00 0.70 0.00 0.00 55.95 57.23 1v86 s SER 93 Cb -0.09 -1.87 0.01 0.00 -1.71 0.00 0.00 66.02 62.36 1v86 s SER 93 CO 0.14 0.22 0.05 -1.20 1.20 0.00 0.00 173.24 173.66 1v86 n SER 94 N 3.21 -5.90 0.00 5.45 7.64 -1.26 -5.31 113.62 117.46 1v86 n SER 94 Ca -0.17 0.96 0.00 0.00 1.01 0.00 0.00 58.87 60.67 1v86 n SER 94 Cb 0.53 -2.92 0.00 0.00 -1.01 0.00 0.00 64.21 60.81 1v86 n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64