#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 -0.13 0.29 1.61 0.15 -1.26 -5.19 113.70 109.18 1v86 s SER 2 Ca 0.00 -0.23 0.03 0.00 0.70 0.00 0.00 55.95 56.45 1v86 s SER 2 Cb 0.00 0.31 -0.06 0.00 -1.71 0.00 0.00 66.02 64.56 1v86 s SER 2 CO 0.00 -0.56 0.05 -0.44 1.20 0.00 0.00 173.24 173.49 1v86 s SER 3 N -2.88 2.01 0.33 5.45 0.01 -1.26 -5.17 113.70 112.19 1v86 s SER 3 Ca 0.12 -1.34 -0.10 0.00 1.31 0.00 0.00 55.95 55.94 1v86 s SER 3 Cb 0.02 -0.01 0.04 0.00 0.21 0.00 0.00 66.02 66.27 1v86 s SER 3 CO -0.02 -0.61 0.61 0.61 0.41 0.00 0.00 173.24 174.24 1v86 n GLY 4 N -0.58 1.43 3.26 3.44 0.00 -1.26 -5.19 105.19 106.29 1v86 n GLY 4 Ca -0.02 -1.32 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 1v86 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1v86 s SER 5 N -2.80 0.11 0.03 1.61 1.04 -1.26 -5.17 113.70 107.26 1v86 s SER 5 Ca 0.17 -1.32 0.03 0.00 0.48 0.00 0.00 55.95 55.31 1v86 s SER 5 Cb -0.03 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.48 1v86 s SER 5 CO 0.12 -0.89 -0.09 -0.55 0.98 0.00 0.00 173.24 172.81 1v86 s SER 6 N -3.14 1.09 0.00 7.02 0.15 -1.26 -5.15 113.70 112.41 1v86 s SER 6 Ca 0.36 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1v86 s SER 6 Cb 0.06 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 1v86 s SER 6 CO 0.12 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.13 1v86 n GLY 7 N 2.06 4.65 3.59 9.45 0.00 -1.26 -5.18 105.19 118.50 1v86 n GLY 7 Ca -0.18 -1.72 -0.07 0.00 0.00 0.00 0.00 46.02 44.05 1v86 n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1v86 s ASP 8 N 0.70 -0.24 0.02 1.61 2.15 -1.26 -5.19 116.67 114.47 1v86 s ASP 8 Ca 0.00 0.21 -0.28 0.00 0.43 0.00 0.00 52.55 52.91 1v86 s ASP 8 Cb 0.00 0.20 0.10 0.00 -0.30 0.00 0.00 42.92 42.92 1v86 s ASP 8 CO 0.00 -0.25 1.23 0.00 -0.17 0.00 0.00 175.17 175.98 1v86 s ALA 9 N -1.39 -2.20 0.40 3.66 0.00 -1.26 -5.19 121.76 115.79 1v86 s ALA 9 Ca 0.03 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.23 1v86 s ALA 9 Cb -0.01 0.65 -0.00 0.00 0.00 0.00 0.00 23.12 23.77 1v86 s ALA 9 CO -0.03 -1.09 0.02 0.41 0.00 0.00 0.00 175.76 175.06 1v86 n GLY 10 N -0.69 3.64 0.00 0.00 0.00 -1.26 -5.16 105.19 101.72 1v86 n GLY 10 Ca -0.03 -2.31 0.00 0.00 0.00 0.00 0.00 46.02 43.69 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 0.03 5.30 2.83 -0.02 0.00 -1.26 -4.98 105.19 107.09 1v86 n GLY 11 Ca -0.15 -0.94 -0.08 0.00 0.00 0.00 0.00 46.02 44.84 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 1.58 3.21 -0.02 0.00 -1.26 -5.17 105.19 103.53 1v86 n GLY 12 Ca 0.00 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 1v86 n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1v86 s VAL 13 N -2.45 1.84 0.00 1.61 1.01 -1.26 -5.00 120.40 116.15 1v86 s VAL 13 Ca 0.16 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1v86 s VAL 13 Cb -0.03 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.78 1v86 s VAL 13 CO 0.12 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.34 1v86 n GLY 14 N 3.15 1.57 1.37 4.51 0.00 -1.26 -5.12 105.19 109.41 1v86 n GLY 14 Ca -0.18 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1v86 n GLY 14 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1v86 n LYS 15 N 0.00 -3.92 -1.87 1.61 4.81 -1.26 -4.59 118.16 112.93 1v86 n LYS 15 Ca 0.00 2.93 -0.36 0.00 -0.87 0.00 0.00 58.31 60.02 1v86 n LYS 15 Cb 0.00 -3.32 -0.03 0.00 0.02 0.00 0.00 35.03 31.70 1v86 n LYS 15 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1v86 s GLU 16 N -4.15 2.40 0.67 1.64 2.12 -1.26 -4.91 118.70 115.22 1v86 s GLU 16 Ca 0.00 0.78 -0.18 0.00 0.36 0.00 0.00 54.97 55.94 1v86 s GLU 16 Cb 0.00 -4.52 -0.15 0.00 0.26 0.00 0.00 34.13 29.72 1v86 s GLU 16 CO 0.00 -3.04 -0.36 1.28 -0.54 0.00 0.00 175.26 172.61 1v86 n LEU 17 N 14.13 -4.47 -4.84 2.70 7.99 -1.26 -4.90 117.00 126.35 1v86 n LEU 17 Ca 0.28 0.49 -0.35 0.00 -0.01 0.00 0.00 56.01 56.43 1v86 n LEU 17 Cb 0.52 -0.82 -0.06 0.00 -0.11 0.00 0.00 43.42 42.96 1v86 n LEU 17 CO 0.69 -5.21 0.32 0.54 -1.51 0.00 0.00 177.39 172.23 1v86 s VAL 18 N -2.00 4.74 0.04 4.08 0.11 0.51 -4.71 120.40 123.18 1v86 s VAL 18 Ca 0.51 0.95 -0.25 0.00 -2.93 0.00 0.00 61.98 60.26 1v86 s VAL 18 Cb -0.39 -3.74 -0.05 0.00 -1.53 0.00 0.00 36.38 30.67 1v86 s VAL 18 CO 0.72 0.12 0.77 -1.81 -3.33 0.00 0.00 175.10 171.57 1v86 s ASP 19 N -1.87 7.22 -0.05 3.54 1.01 -1.26 -1.88 116.67 123.37 1v86 s ASP 19 Ca 0.43 1.45 -0.08 0.00 0.71 0.00 0.00 52.55 55.06 1v86 s ASP 19 Cb -0.14 -2.47 0.02 0.00 1.01 0.00 0.00 42.92 41.33 1v86 s ASP 19 CO 0.20 0.01 0.21 -0.76 0.21 0.00 0.00 175.17 175.03 1v86 s LEU 20 N -0.01 1.24 -0.37 1.23 1.43 -1.13 0.19 118.68 121.26 1v86 s LEU 20 Ca 0.39 0.22 -0.13 0.00 -1.03 0.00 0.00 54.13 53.58 1v86 s LEU 20 Cb -0.20 0.79 0.00 0.00 0.03 0.00 0.00 46.19 46.81 1v86 s LEU 20 CO 0.23 -0.20 0.25 -0.54 0.23 0.00 0.00 176.35 176.32 1v86 s LYS 21 N -0.47 3.20 -1.17 1.70 1.02 -0.18 -3.22 119.74 120.62 1v86 s LYS 21 Ca -0.06 -0.85 -0.21 0.00 0.02 0.00 0.00 55.97 54.87 1v86 s LYS 21 Cb -0.04 -3.83 -0.02 0.00 -0.52 0.00 0.00 37.83 33.43 1v86 s LYS 21 CO 0.01 -0.59 1.83 0.42 -0.92 0.00 0.00 175.35 176.10 1v86 s ILE 22 N 1.67 3.76 0.09 2.17 -1.09 -1.10 -1.61 121.20 125.09 1v86 s ILE 22 Ca 0.05 -1.17 -0.30 0.00 -2.23 0.00 0.00 60.65 57.00 1v86 s ILE 22 Cb -0.18 -4.76 -0.06 0.00 -1.58 0.00 0.00 42.46 35.88 1v86 s ILE 22 CO 0.09 -1.42 1.20 -0.63 -1.23 0.00 0.00 174.94 172.95 1v86 s ILE 23 N 8.11 3.92 -0.30 2.92 -1.09 0.48 -3.76 121.20 131.47 1v86 s ILE 23 Ca 0.62 1.43 -0.10 0.00 -2.23 0.00 0.00 60.65 60.37 1v86 s ILE 23 Cb 0.00 -3.91 0.16 0.00 -1.58 0.00 0.00 42.46 37.13 1v86 s ILE 23 CO 0.08 0.14 0.81 0.86 -1.23 0.00 0.00 174.94 175.59 1v86 s TRP 24 N 0.78 -1.08 0.00 3.97 -0.00 -1.24 0.16 118.94 121.53 1v86 s TRP 24 Ca 0.57 1.52 0.00 0.00 -0.00 0.00 0.00 56.10 58.20 1v86 s TRP 24 Cb -0.30 0.52 0.00 0.00 -0.00 0.00 0.00 33.47 33.69 1v86 s TRP 24 CO 0.31 -0.56 0.00 0.09 -0.00 0.00 0.00 176.95 176.79 1v86 n ASN 25 N 5.31 0.00 -2.08 5.86 3.02 -1.25 -1.84 115.26 124.28 1v86 n ASN 25 Ca -0.07 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.46 1v86 n ASN 25 Cb 0.51 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.74 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 0.59 -4.42 3.52 2.85 -1.26 -5.13 118.16 114.31 1v86 n LYS 26 Ca 0.00 -0.58 -0.22 0.00 -1.05 0.00 0.00 58.31 56.46 1v86 n LYS 26 Cb 0.00 0.17 -0.10 0.00 -0.65 0.00 0.00 35.03 34.45 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 0.06 2.12 -0.28 0.58 -4.23 -0.77 -5.12 115.64 108.00 1v86 s THR 27 Ca 0.05 -2.30 -0.03 0.00 -1.18 0.00 0.00 61.69 58.22 1v86 s THR 27 Cb 0.20 -2.23 0.09 0.00 1.34 0.00 0.00 72.50 71.90 1v86 s THR 27 CO -0.06 -0.46 0.11 -1.59 -0.54 0.00 0.00 174.62 172.09 1v86 s LYS 28 N -3.58 0.34 -0.36 3.99 0.00 -1.26 -3.60 119.74 115.26 1v86 s LYS 28 Ca 0.27 -0.61 -0.11 0.00 0.00 0.00 0.00 55.97 55.52 1v86 s LYS 28 Cb -0.02 -1.49 0.01 0.00 0.00 0.00 0.00 37.83 36.33 1v86 s LYS 28 CO 0.12 -0.95 0.21 -1.01 0.00 0.00 0.00 175.35 173.71 1v86 s HIS 29 N 1.97 3.22 -0.30 1.78 3.76 -1.25 -4.92 115.29 119.56 1v86 s HIS 29 Ca 0.08 -0.73 -0.29 0.00 -0.15 0.00 0.00 55.06 53.97 1v86 s HIS 29 Cb -0.16 -2.44 -0.01 0.00 1.11 0.00 0.00 32.58 31.08 1v86 s HIS 29 CO -0.29 -0.56 1.42 0.16 -0.85 0.00 0.00 174.74 174.62 1v86 s ASP 30 N 1.61 6.51 0.00 1.40 -4.77 -1.26 -2.72 116.67 117.44 1v86 s ASP 30 Ca 0.04 1.26 0.03 0.00 -3.30 0.00 0.00 52.55 50.57 1v86 s ASP 30 Cb -0.18 -2.54 -0.01 0.00 -1.09 0.00 0.00 42.92 39.10 1v86 s ASP 30 CO 0.07 -1.21 -0.08 0.68 0.70 0.00 0.00 175.17 175.34 1v86 s VAL 31 N 4.85 0.65 -0.24 2.11 -7.23 -1.20 -5.06 120.40 114.28 1v86 s VAL 31 Ca 0.62 -0.47 -0.05 0.00 -1.81 0.00 0.00 61.98 60.26 1v86 s VAL 31 Cb -0.18 -0.57 -0.01 0.00 0.56 0.00 0.00 36.38 36.17 1v86 s VAL 31 CO 0.27 0.10 0.01 -1.59 -0.31 0.00 0.00 175.10 173.57 1v86 s LYS 32 N -0.42 3.44 0.08 4.82 -2.85 -1.26 -2.82 119.74 120.73 1v86 s LYS 32 Ca 0.01 -0.60 0.04 0.00 -1.00 0.00 0.00 55.97 54.43 1v86 s LYS 32 Cb -0.04 -3.16 -0.03 0.00 -2.06 0.00 0.00 37.83 32.54 1v86 s LYS 32 CO -0.00 -0.22 -0.12 0.14 0.10 0.00 0.00 175.35 175.25 1v86 s VAL 33 N 1.53 0.99 0.47 1.79 -7.23 -0.79 -4.84 120.40 112.33 1v86 s VAL 33 Ca 0.06 -1.40 -0.21 0.00 -1.81 0.00 0.00 61.98 58.62 1v86 s VAL 33 Cb -0.15 -1.12 -0.09 0.00 0.56 0.00 0.00 36.38 35.59 1v86 s VAL 33 CO -0.00 -0.36 1.04 -2.16 -0.31 0.00 0.00 175.10 173.31 1v86 s PRO 34 N -2.09 3.85 0.25 4.82 0.04 -1.26 0.19 135.00 140.79 1v86 s PRO 34 Ca -0.00 1.38 0.25 0.00 0.04 0.00 0.00 61.00 62.67 1v86 s PRO 34 Cb -0.08 -2.15 0.93 0.00 0.04 0.00 0.00 34.50 33.24 1v86 s PRO 34 CO 0.01 -0.39 1.74 -0.11 0.04 0.00 0.00 177.00 178.29 1v86 n LEU 35 N -0.85 0.74 0.19 -3.56 7.94 -1.26 -2.15 117.00 118.06 1v86 n LEU 35 Ca 0.09 0.64 0.14 0.00 -1.11 0.00 0.00 56.01 55.77 1v86 n LEU 35 Cb 0.52 -0.48 0.61 0.00 0.53 0.00 0.00 43.42 44.60 1v86 n LEU 35 CO 0.40 -0.43 0.92 -0.78 -1.11 0.00 0.00 177.39 176.39 1v86 h ASP 36 N 0.00 0.00 -2.70 1.96 1.82 -1.98 -3.08 116.42 112.44 1v86 h ASP 36 Ca 0.00 0.00 -0.53 0.00 -0.39 0.00 0.00 57.03 56.11 1v86 h ASP 36 Cb 0.50 0.00 0.06 0.00 0.68 0.00 0.00 39.33 40.58 1v86 h ASP 36 CO 0.00 0.00 0.97 -1.20 -1.61 0.00 0.00 179.24 177.40 1v86 n SER 37 N -2.55 3.87 -4.78 2.28 7.64 -0.91 -4.84 113.62 114.32 1v86 n SER 37 Ca 0.01 1.08 -0.36 0.00 1.01 0.00 0.00 58.87 60.60 1v86 n SER 37 Cb 0.22 -1.56 -0.03 0.00 -1.01 0.00 0.00 64.21 61.83 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 0.97 3.50 0.60 0.44 -4.23 -1.26 -2.17 115.64 113.48 1v86 s THR 38 Ca 0.74 1.12 0.30 0.00 -1.18 0.00 0.00 61.69 62.67 1v86 s THR 38 Cb -0.52 -3.56 0.43 0.00 1.34 0.00 0.00 72.50 70.18 1v86 s THR 38 CO 0.35 -0.02 1.51 1.23 -0.54 0.00 0.00 174.62 177.15 1v86 h GLY 39 N 2.26 0.00 0.92 3.99 0.00 -1.23 1.43 103.07 110.44 1v86 h GLY 39 Ca -0.49 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 46.57 1v86 h GLY 39 CO 0.61 0.00 -1.24 0.23 0.00 0.00 0.00 176.54 176.14 1v86 h SER 40 N 0.00 0.63 -1.08 0.19 0.87 -1.80 -3.29 113.55 109.06 1v86 h SER 40 Ca 0.46 -0.93 0.29 0.00 -1.23 0.00 0.00 61.79 60.39 1v86 h SER 40 Cb 2.51 -0.20 -0.10 0.00 -0.44 0.00 0.00 62.40 64.17 1v86 h SER 40 CO -0.00 1.59 0.70 -0.33 -0.53 0.00 0.00 176.83 178.25 1v86 h GLU 41 N -0.11 0.32 -0.74 2.24 5.08 0.16 0.10 114.58 121.64 1v86 h GLU 41 Ca -0.23 -0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.25 1v86 h GLU 41 Cb 1.91 -0.07 -0.14 0.00 0.50 0.00 0.00 28.75 30.96 1v86 h GLU 41 CO 0.19 0.21 -0.30 -0.07 -1.00 0.00 0.00 179.01 178.05 1v86 h LEU 42 N 0.33 -1.06 -0.24 1.33 3.38 -1.55 1.51 115.31 119.01 1v86 h LEU 42 Ca 0.63 0.25 0.04 0.00 0.09 0.00 0.00 57.88 58.88 1v86 h LEU 42 Cb 1.69 0.58 -0.07 0.00 0.09 0.00 0.00 40.66 42.95 1v86 h LEU 42 CO -0.31 -0.29 -0.53 0.11 0.09 0.00 0.00 178.44 177.52 1v86 h LYS 43 N -0.07 -0.47 0.00 1.13 6.56 -0.99 1.73 116.57 124.46 1v86 h LYS 43 Ca 0.31 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.93 1v86 h LYS 43 Cb 0.57 0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.34 1v86 h LYS 43 CO -0.79 -0.31 0.00 1.96 -2.06 0.00 0.00 179.45 178.25 1v86 h GLN 44 N -0.49 0.00 0.02 3.15 1.08 -0.96 1.04 115.11 118.94 1v86 h GLN 44 Ca 0.05 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.02 1v86 h GLN 44 Cb 0.62 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.02 1v86 h GLN 44 CO -0.48 0.00 -1.05 -0.22 -0.95 0.00 0.00 178.83 176.12 1v86 h LYS 45 N 0.00 0.04 0.08 1.46 1.63 0.81 -2.71 116.57 117.88 1v86 h LYS 45 Ca 0.00 -0.07 -0.30 0.00 -0.85 0.00 0.00 60.65 59.43 1v86 h LYS 45 Cb 0.21 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 1v86 h LYS 45 CO 0.00 1.02 -1.60 0.82 -3.45 0.00 0.00 179.45 176.25 1v86 h ILE 46 N 0.01 0.83 -0.29 2.00 2.04 0.39 -3.34 117.51 119.14 1v86 h ILE 46 Ca -0.04 -2.30 0.08 0.00 1.00 0.00 0.00 64.86 63.61 1v86 h ILE 46 Cb 1.81 2.46 -0.01 0.00 -0.74 0.00 0.00 36.82 40.34 1v86 h ILE 46 CO 0.14 0.65 0.21 -0.74 0.00 0.00 0.00 178.15 178.41 1v86 h HIS 47 N -0.39 0.00 0.00 1.37 -0.00 0.92 1.65 115.15 118.69 1v86 h HIS 47 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.00 1v86 h HIS 47 Cb 1.72 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.13 1v86 h HIS 47 CO 0.10 0.00 0.00 1.03 -0.00 0.00 0.00 177.93 179.06 1v86 h SER 48 N 0.00 0.00 0.00 3.26 0.87 -1.60 0.39 113.55 116.47 1v86 h SER 48 Ca 0.14 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1v86 h SER 48 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1v86 h SER 48 CO -0.00 0.00 -0.28 -0.38 -0.53 0.00 0.00 176.83 175.64 1v86 n ILE 49 N -2.46 1.27 -0.20 2.23 5.41 0.22 -4.67 119.36 121.16 1v86 n ILE 49 Ca 0.01 0.33 0.18 0.00 1.00 0.00 0.00 62.75 64.26 1v86 n ILE 49 Cb 0.20 -1.79 0.52 0.00 -0.71 0.00 0.00 39.64 37.86 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 0.73 0.00 1.39 1.35 0.19 -3.45 112.91 112.84 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 0.28 0.31 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 0.86 3.95 5.82 0.00 0.13 -4.99 105.19 109.42 1v86 n GLY 51 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 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 3.31 0.43 0.99 2.34 -1.26 -5.03 118.68 119.47 1v86 s LEU 52 Ca 0.00 0.26 -0.23 0.00 0.06 0.00 0.00 54.13 54.22 1v86 s LEU 52 Cb 0.00 -3.09 -0.09 0.00 -0.56 0.00 0.00 46.19 42.45 1v86 s LEU 52 CO 0.00 -1.07 1.05 -2.16 -1.06 0.00 0.00 176.35 173.11 1v86 s PRO 53 N -4.81 4.02 0.20 1.48 0.04 -1.26 -4.58 135.00 130.10 1v86 s PRO 53 Ca 0.54 1.46 0.06 0.00 0.04 0.00 0.00 61.00 63.11 1v86 s PRO 53 Cb -0.10 -2.37 0.11 0.00 0.04 0.00 0.00 34.50 32.18 1v86 s PRO 53 CO 0.40 -0.26 1.46 -1.00 0.04 0.00 0.00 177.00 177.65 1v86 h PRO 54 N 2.14 0.10 -0.22 0.56 0.13 -1.97 -3.01 132.00 129.73 1v86 h PRO 54 Ca -0.49 -0.09 0.05 0.00 -0.87 0.00 0.00 66.00 64.60 1v86 h PRO 54 Cb 1.22 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1v86 h PRO 54 CO 0.61 0.82 0.15 0.00 -0.23 0.00 0.00 178.00 179.35 1v86 h ALA 55 N 1.15 2.13 -0.72 -0.56 0.00 -2.00 -0.30 119.26 118.95 1v86 h ALA 55 Ca -0.02 -0.01 -0.47 0.00 0.00 0.00 0.00 54.91 54.41 1v86 h ALA 55 Cb 1.36 -0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.87 1v86 h ALA 55 CO 0.11 -0.19 0.06 -1.33 0.00 0.00 0.00 179.25 177.91 1v86 n MET 56 N -4.48 2.64 -4.06 0.00 2.81 -1.14 -5.00 117.12 107.89 1v86 n MET 56 Ca 0.02 -3.49 -0.22 0.00 -1.81 0.00 0.00 57.70 52.20 1v86 n MET 56 Cb 0.26 -2.13 -0.05 0.00 -0.71 0.00 0.00 33.22 30.59 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 -3.53 2.60 -0.27 0.03 -0.21 -0.13 -3.99 119.66 114.17 1v86 s GLN 57 Ca 0.54 -1.32 -0.00 0.00 0.02 0.00 0.00 55.36 54.60 1v86 s GLN 57 Cb 0.45 -2.36 0.08 0.00 1.00 0.00 0.00 33.01 32.18 1v86 s GLN 57 CO 0.02 0.23 0.04 0.21 -2.12 0.00 0.00 175.29 173.66 1v86 s LYS 58 N -3.85 1.07 -0.38 2.91 2.36 -1.26 -4.89 119.74 115.69 1v86 s LYS 58 Ca 0.36 -1.03 -0.07 0.00 -2.55 0.00 0.00 55.97 52.69 1v86 s LYS 58 Cb -0.06 -2.34 0.06 0.00 -1.05 0.00 0.00 37.83 34.45 1v86 s LYS 58 CO 0.24 -0.80 0.17 0.08 1.55 0.00 0.00 175.35 176.59 1v86 s VAL 59 N 1.51 3.87 -0.08 4.02 1.01 -1.26 -4.00 120.40 125.47 1v86 s VAL 59 Ca 0.03 -1.35 -0.03 0.00 0.00 0.00 0.00 61.98 60.63 1v86 s VAL 59 Cb -0.18 -3.32 0.04 0.00 0.00 0.00 0.00 36.38 32.93 1v86 s VAL 59 CO -0.14 -0.36 0.14 -0.04 0.00 0.00 0.00 175.10 174.69 1v86 s MET 60 N 1.38 0.01 -0.30 2.72 -1.94 -1.26 -4.39 119.30 115.52 1v86 s MET 60 Ca 0.01 0.53 0.01 0.00 -1.71 0.00 0.00 55.69 54.52 1v86 s MET 60 Cb -0.21 -0.32 0.09 0.00 2.01 0.00 0.00 34.83 36.40 1v86 s MET 60 CO 0.02 -0.31 0.05 -0.47 -0.01 0.00 0.00 175.02 174.30 1v86 s TYR 61 N 2.25 2.35 -0.03 -0.03 6.14 -1.26 -4.40 117.35 122.37 1v86 s TYR 61 Ca 0.03 -2.03 -0.00 0.00 0.64 0.00 0.00 57.07 55.71 1v86 s TYR 61 Cb -0.12 -1.97 0.00 0.00 0.42 0.00 0.00 41.96 40.29 1v86 s TYR 61 CO -0.05 -0.86 0.01 1.17 0.64 0.00 0.00 175.55 176.45 1v86 n LYS 62 N 4.67 -2.95 0.00 4.97 4.81 -1.26 -4.53 118.16 123.86 1v86 n LYS 62 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1v86 n LYS 62 Cb 0.43 -4.46 0.00 0.00 0.02 0.00 0.00 35.03 31.01 1v86 n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1v86 n GLY 63 N -0.50 3.72 3.66 3.14 0.00 -1.26 -5.09 105.19 108.86 1v86 n GLY 63 Ca 0.00 -1.58 -0.44 0.00 0.00 0.00 0.00 46.02 44.00 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 2.91 -4.53 0.99 7.99 -1.26 -4.74 117.00 118.36 1v86 n LEU 64 Ca 0.00 1.16 -0.41 0.00 -0.01 0.00 0.00 56.01 56.76 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 -0.68 -0.09 -0.69 -1.51 0.00 0.00 177.39 174.42 1v86 s VAL 65 N -0.47 5.26 0.09 4.08 1.01 -1.26 -4.87 120.40 124.25 1v86 s VAL 65 Ca 0.64 -0.20 -0.30 0.00 0.00 0.00 0.00 61.98 62.12 1v86 s VAL 65 Cb -0.65 -3.75 -0.06 0.00 0.00 0.00 0.00 36.38 31.92 1v86 s VAL 65 CO 0.54 -0.05 1.15 -2.16 0.00 0.00 0.00 175.10 174.59 1v86 s PRO 66 N 1.78 4.49 0.22 2.72 0.04 -1.26 -4.93 135.00 138.06 1v86 s PRO 66 Ca 0.07 1.73 0.12 0.00 0.04 0.00 0.00 61.00 62.96 1v86 s PRO 66 Cb -0.17 -3.33 -0.01 0.00 0.04 0.00 0.00 34.50 31.02 1v86 s PRO 66 CO 0.11 -0.14 1.40 0.93 0.04 0.00 0.00 177.00 179.33 1v86 h GLU 67 N 6.26 0.00 -0.04 4.56 5.08 -1.96 -3.16 114.58 125.32 1v86 h GLU 67 Ca -0.42 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.83 1v86 h GLU 67 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1v86 h GLU 67 CO 0.78 0.68 -0.44 0.22 -1.00 0.00 0.00 179.01 179.25 1v86 h ASP 68 N 0.00 0.10 -2.34 1.42 3.58 -1.97 -3.35 116.42 113.87 1v86 h ASP 68 Ca -0.01 -0.04 -0.50 0.00 0.42 0.00 0.00 57.03 56.90 1v86 h ASP 68 Cb 1.51 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 42.50 1v86 h ASP 68 CO 0.09 0.53 -0.48 -0.54 -2.88 0.00 0.00 179.24 175.96 1v86 s LYS 69 N -4.04 3.23 0.43 0.28 -0.14 -1.19 -4.94 119.74 113.37 1v86 s LYS 69 Ca -0.03 -0.82 0.04 0.00 -1.36 0.00 0.00 55.97 53.80 1v86 s LYS 69 Cb 0.14 -2.79 0.00 0.00 -1.68 0.00 0.00 37.83 33.51 1v86 s LYS 69 CO 0.75 0.45 0.61 0.95 -0.76 0.00 0.00 175.35 177.35 1v86 s THR 70 N -1.94 3.58 0.14 2.17 -4.23 -1.26 -1.12 115.64 112.99 1v86 s THR 70 Ca 0.33 -0.77 -0.31 0.00 -1.18 0.00 0.00 61.69 59.76 1v86 s THR 70 Cb -0.09 -3.28 -0.07 0.00 1.34 0.00 0.00 72.50 70.39 1v86 s THR 70 CO 0.27 -0.15 1.55 -0.07 -0.54 0.00 0.00 174.62 175.68 1v86 h LEU 71 N 0.52 -1.76 -1.64 4.79 3.38 -1.50 2.07 115.31 121.17 1v86 h LEU 71 Ca -0.44 0.24 0.05 0.00 0.09 0.00 0.00 57.88 57.83 1v86 h LEU 71 Cb 1.27 0.74 -0.01 0.00 0.09 0.00 0.00 40.66 42.75 1v86 h LEU 71 CO 0.53 -0.39 0.52 -0.09 0.09 0.00 0.00 178.44 179.10 1v86 h ARG 72 N -0.36 0.00 0.03 1.13 2.43 -1.82 0.77 114.38 116.56 1v86 h ARG 72 Ca 0.10 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.92 1v86 h ARG 72 Cb 0.59 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.09 1v86 h ARG 72 CO -0.61 0.00 -2.10 0.39 -1.51 0.00 0.00 179.97 176.14 1v86 n GLU 73 N -3.08 0.68 0.00 0.20 -0.58 0.50 -3.96 120.64 114.40 1v86 n GLU 73 Ca 0.03 0.18 0.12 0.00 -0.42 0.00 0.00 57.16 57.07 1v86 n GLU 73 Cb 0.62 -1.65 0.59 0.00 -0.57 0.00 0.00 31.44 30.42 1v86 n GLU 73 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1v86 n ILE 74 N -3.10 0.23 -1.48 -3.67 -6.64 0.58 -4.88 119.36 100.40 1v86 n ILE 74 Ca -0.30 0.06 0.00 0.00 -1.77 0.00 0.00 62.75 60.74 1v86 n ILE 74 Cb 1.07 -0.63 0.00 0.00 -1.44 0.00 0.00 39.64 38.64 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 -1.41 0.00 -4.31 6.28 4.76 0.18 -5.03 118.16 118.63 1v86 n LYS 75 Ca 0.09 0.49 -0.17 0.00 -2.87 0.00 0.00 58.31 55.85 1v86 n LYS 75 Cb 0.26 -0.99 -0.10 0.00 -1.84 0.00 0.00 35.03 32.36 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 0.00 1.18 0.25 -0.18 1.01 -1.19 -4.98 120.40 116.50 1v86 s VAL 76 Ca 0.00 -2.06 0.02 0.00 0.00 0.00 0.00 61.98 59.93 1v86 s VAL 76 Cb 0.00 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 1v86 s VAL 76 CO 0.00 -0.48 0.07 0.42 0.00 0.00 0.00 175.10 175.11 1v86 s THR 77 N -3.33 0.68 -0.67 3.92 -4.23 -1.26 -4.91 115.64 105.84 1v86 s THR 77 Ca 0.24 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.51 1v86 s THR 77 Cb 0.04 -2.57 0.06 0.00 1.34 0.00 0.00 72.50 71.37 1v86 s THR 77 CO 0.06 -0.08 1.05 -0.94 -0.54 0.00 0.00 174.62 174.16 1v86 s SER 78 N -3.31 6.18 0.00 3.99 1.04 -1.26 -3.34 113.70 116.99 1v86 s SER 78 Ca 0.35 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.97 1v86 s SER 78 Cb 0.08 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.74 1v86 s SER 78 CO 0.12 -1.53 0.00 0.61 0.98 0.00 0.00 173.24 173.42 1v86 n GLY 79 N 5.33 1.87 3.83 7.32 0.00 0.50 -4.78 105.19 119.26 1v86 n GLY 79 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 1.79 0.15 4.61 0.00 -1.19 -4.78 121.76 120.35 1v86 s ALA 80 Ca 0.00 -1.05 0.11 0.00 0.00 0.00 0.00 51.96 51.02 1v86 s ALA 80 Cb 0.00 -2.84 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 1v86 s ALA 80 CO 0.00 -2.69 -0.24 0.15 0.00 0.00 0.00 175.76 172.98 1v86 s LYS 81 N -5.69 1.53 -0.26 0.00 3.01 -1.26 -1.01 119.74 116.05 1v86 s LYS 81 Ca 0.72 -1.38 -0.03 0.00 -1.01 0.00 0.00 55.97 54.26 1v86 s LYS 81 Cb -0.07 -1.92 0.09 0.00 -1.01 0.00 0.00 37.83 34.92 1v86 s LYS 81 CO 0.54 0.44 0.11 0.42 0.51 0.00 0.00 175.35 177.36 1v86 s ILE 82 N -1.32 0.18 -0.08 2.17 -1.09 -0.63 -4.89 121.20 115.54 1v86 s ILE 82 Ca 0.17 -0.76 -0.30 0.00 -2.23 0.00 0.00 60.65 57.53 1v86 s ILE 82 Cb -0.09 -1.05 -0.03 0.00 -1.58 0.00 0.00 42.46 39.71 1v86 s ILE 82 CO 0.08 -0.59 1.19 -0.04 -1.23 0.00 0.00 174.94 174.35 1v86 s MET 83 N 1.99 4.34 0.27 2.79 -1.94 -1.26 -0.39 119.30 125.09 1v86 s MET 83 Ca 0.07 1.64 0.12 0.00 -1.71 0.00 0.00 55.69 55.80 1v86 s MET 83 Cb -0.16 -3.59 -0.05 0.00 2.01 0.00 0.00 34.83 33.04 1v86 s MET 83 CO -0.27 -0.48 -0.17 0.08 -0.01 0.00 0.00 175.02 174.17 1v86 s VAL 84 N 2.42 2.62 0.18 -6.03 1.01 0.12 -4.37 120.40 116.35 1v86 s VAL 84 Ca 0.55 -2.29 0.03 0.00 0.00 0.00 0.00 61.98 60.26 1v86 s VAL 84 Cb -0.23 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 1v86 s VAL 84 CO 0.20 -0.37 0.17 0.55 0.00 0.00 0.00 175.10 175.66 1v86 n VAL 85 N -0.56 0.00 0.00 2.92 3.14 -1.26 -3.94 118.33 118.63 1v86 n VAL 85 Ca -0.06 -1.23 0.00 0.00 -2.96 0.00 0.00 64.34 60.09 1v86 n VAL 85 Cb 0.59 0.64 0.00 0.00 -1.06 0.00 0.00 33.84 34.01 1v86 n VAL 85 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1v86 n GLY 86 N -0.33 2.30 1.29 7.55 0.00 -1.26 -4.49 105.19 110.26 1v86 n GLY 86 Ca 0.03 -0.60 0.09 0.00 0.00 0.00 0.00 46.02 45.55 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 -6.97 -2.31 1.61 2.88 -1.26 -5.00 113.62 102.57 1v86 n SER 87 Ca 0.00 1.41 0.00 0.00 -1.33 0.00 0.00 58.87 58.95 1v86 n SER 87 Cb 0.00 -4.28 0.00 0.00 -0.75 0.00 0.00 64.21 59.18 1v86 n SER 87 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1v86 n THR 88 N -3.42-13.45 0.00 2.46 -1.04 -1.26 -5.03 114.28 92.54 1v86 n THR 88 Ca -0.05 3.20 0.00 0.00 -2.04 0.00 0.00 64.05 65.16 1v86 n THR 88 Cb 0.53 -6.03 0.00 0.00 -1.82 0.00 0.00 70.33 63.00 1v86 n THR 88 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1v86 n ILE 89 N 1.83 0.00 -2.15 12.58 5.41 -1.26 -5.04 119.36 130.73 1v86 n ILE 89 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.74 1v86 n ILE 89 Cb 0.00 -0.28 -0.01 0.00 -0.71 0.00 0.00 39.64 38.64 1v86 n ILE 89 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1v86 n SER 90 N -0.51 -6.69 -3.63 4.38 2.88 -1.26 -5.05 113.62 103.74 1v86 n SER 90 Ca 0.00 1.43 -0.03 0.00 -1.33 0.00 0.00 58.87 58.95 1v86 n SER 90 Cb 0.00 -4.43 -0.03 0.00 -0.75 0.00 0.00 64.21 59.00 1v86 n SER 90 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1v86 s GLY 91 N -0.50 -0.10 -0.06 0.46 0.00 -1.26 -5.06 107.32 100.80 1v86 s GLY 91 Ca -0.05 2.22 -0.26 0.00 0.00 0.00 0.00 44.72 46.64 1v86 s GLY 91 CO 0.13 0.82 1.04 -0.56 0.00 0.00 0.00 173.10 174.53 1v86 h PRO 92 N 2.04 0.10 -6.88 2.90 0.13 -2.04 -3.45 132.00 124.80 1v86 h PRO 92 Ca -0.06 -0.10 -0.51 0.00 -0.87 0.00 0.00 66.00 64.46 1v86 h PRO 92 Cb 1.16 0.03 0.04 0.00 0.13 0.00 0.00 31.00 32.36 1v86 h PRO 92 CO 0.21 0.82 0.53 -1.12 -0.23 0.00 0.00 178.00 178.22 1v86 s SER 93 N -6.13 6.86 -0.33 1.44 0.01 -1.26 -5.02 113.70 109.27 1v86 s SER 93 Ca -0.16 2.42 0.00 0.00 1.31 0.00 0.00 55.95 59.51 1v86 s SER 93 Cb 0.00 -2.63 0.10 0.00 0.21 0.00 0.00 66.02 63.71 1v86 s SER 93 CO 0.71 -0.45 0.10 -0.55 0.41 0.00 0.00 173.24 173.47 1v86 s SER 94 N -0.86 4.11 0.00 2.44 0.15 -1.26 -5.09 113.70 113.19 1v86 s SER 94 Ca 0.50 -1.82 0.00 0.00 0.70 0.00 0.00 55.95 55.34 1v86 s SER 94 Cb -0.34 -1.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.97 1v86 s SER 94 CO 0.43 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 175.09