#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 0.02 -0.12 1.61 1.04 -1.26 -5.17 113.70 109.82 1v86 s SER 2 Ca 0.00 -0.51 -0.34 0.00 0.48 0.00 0.00 55.95 55.58 1v86 s SER 2 Cb 0.00 0.36 0.14 0.00 0.10 0.00 0.00 66.02 66.62 1v86 s SER 2 CO 0.00 -0.72 1.38 -0.44 0.98 0.00 0.00 173.24 174.44 1v86 s SER 3 N -2.67 -0.03 0.00 7.02 0.01 -1.26 -5.19 113.70 111.58 1v86 s SER 3 Ca 0.02 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.25 1v86 s SER 3 Cb 0.03 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.32 1v86 s SER 3 CO -0.10 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1v86 n GLY 4 N -0.37 1.02 3.64 3.44 0.00 -1.26 -5.18 105.19 106.49 1v86 n GLY 4 Ca -0.06 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.51 1v86 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v86 s SER 5 N 0.00 -0.09 -0.01 1.61 0.01 -1.26 -5.18 113.70 108.78 1v86 s SER 5 Ca 0.00 0.13 -0.23 0.00 1.31 0.00 0.00 55.95 57.17 1v86 s SER 5 Cb 0.00 0.12 0.05 0.00 0.21 0.00 0.00 66.02 66.40 1v86 s SER 5 CO 0.00 -0.06 0.50 -0.55 0.41 0.00 0.00 173.24 173.54 1v86 s SER 6 N -0.58 -0.42 0.00 2.44 0.15 -1.26 -5.16 113.70 108.88 1v86 s SER 6 Ca 0.07 0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.05 1v86 s SER 6 Cb -0.03 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 1v86 s SER 6 CO -0.10 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.37 1v86 n GLY 7 N 0.88 4.72 0.00 9.45 0.00 -1.26 -5.19 105.19 113.79 1v86 n GLY 7 Ca -0.20 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 -4.19 1.61 2.03 -1.26 -5.17 116.55 109.57 1v86 n ASP 8 Ca 0.00 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.07 1v86 n ASP 8 Cb 0.00 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.25 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 1.51 0.30 -1.67 0.00 -1.26 -5.15 121.76 113.49 1v86 s ALA 9 Ca 0.00 -0.86 0.05 0.00 0.00 0.00 0.00 51.96 51.15 1v86 s ALA 9 Cb 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 1v86 s ALA 9 CO 0.00 0.35 0.22 0.20 0.00 0.00 0.00 175.76 176.53 1v86 s GLY 10 N -0.76 2.09 -0.22 0.00 0.00 -1.26 -5.16 107.32 102.01 1v86 s GLY 10 Ca 0.06 -1.91 -0.07 0.00 0.00 0.00 0.00 44.72 42.80 1v86 s GLY 10 CO 0.00 -1.48 0.45 -0.32 0.00 0.00 0.00 173.10 171.75 1v86 s GLY 11 N -3.33 -0.43 0.00 0.20 0.00 -1.26 -5.12 107.32 97.39 1v86 s GLY 11 Ca 0.39 1.56 0.00 0.00 0.00 0.00 0.00 44.72 46.67 1v86 s GLY 11 CO 0.22 2.54 0.00 0.61 0.00 0.00 0.00 173.10 176.47 1v86 n GLY 12 N 5.40 0.69 3.81 0.20 0.00 -1.26 -4.68 105.19 109.35 1v86 n GLY 12 Ca -0.08 0.61 -0.34 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 4.03 0.00 1.61 0.11 -1.26 -4.47 120.40 120.42 1v86 s VAL 13 Ca 0.00 1.25 0.00 0.00 -2.93 0.00 0.00 61.98 60.30 1v86 s VAL 13 Cb 0.00 -3.51 0.00 0.00 -1.53 0.00 0.00 36.38 31.34 1v86 s VAL 13 CO 0.00 -0.28 0.00 0.61 -3.33 0.00 0.00 175.10 172.10 1v86 n GLY 14 N -0.43 1.58 0.00 6.54 0.00 -1.26 -4.93 105.19 106.68 1v86 n GLY 14 Ca 0.08 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1v86 n GLY 14 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1v86 n LYS 15 N 0.00 1.25 -3.74 1.61 2.85 -1.26 -5.15 118.16 113.73 1v86 n LYS 15 Ca 0.00 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.91 1v86 n LYS 15 Cb 0.00 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.33 1v86 n LYS 15 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1v86 s GLU 16 N 3.31 3.61 0.68 -1.58 2.02 -1.26 -4.89 118.70 120.59 1v86 s GLU 16 Ca 0.00 -0.01 -0.18 0.00 0.02 0.00 0.00 54.97 54.80 1v86 s GLU 16 Cb 0.00 -3.10 -0.15 0.00 0.10 0.00 0.00 34.13 30.98 1v86 s GLU 16 CO 0.00 0.66 -0.34 1.28 0.02 0.00 0.00 175.26 176.89 1v86 n LEU 17 N 1.28 -4.32 -4.87 1.80 7.99 -1.26 -4.91 117.00 112.70 1v86 n LEU 17 Ca -0.12 0.49 -0.32 0.00 -0.01 0.00 0.00 56.01 56.04 1v86 n LEU 17 Cb 0.53 -0.83 -0.05 0.00 -0.11 0.00 0.00 43.42 42.95 1v86 n LEU 17 CO 0.39 -5.16 0.19 0.54 -1.51 0.00 0.00 177.39 171.85 1v86 s VAL 18 N -2.00 4.95 0.09 4.08 0.11 0.51 -4.73 120.40 123.42 1v86 s VAL 18 Ca 0.51 0.45 -0.26 0.00 -2.93 0.00 0.00 61.98 59.76 1v86 s VAL 18 Cb -0.38 -3.63 -0.06 0.00 -1.53 0.00 0.00 36.38 30.78 1v86 s VAL 18 CO 0.72 -0.03 0.80 -1.81 -3.33 0.00 0.00 175.10 171.45 1v86 s ASP 19 N -2.30 7.31 -0.01 3.54 1.01 -1.26 -2.14 116.67 122.81 1v86 s ASP 19 Ca 0.46 1.56 -0.06 0.00 0.71 0.00 0.00 52.55 55.22 1v86 s ASP 19 Cb -0.12 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1v86 s ASP 19 CO 0.21 0.06 0.12 -0.76 0.21 0.00 0.00 175.17 175.01 1v86 s LEU 20 N -0.38 1.60 -0.27 1.23 1.43 -1.15 0.19 118.68 121.33 1v86 s LEU 20 Ca 0.39 -0.07 -0.10 0.00 -1.03 0.00 0.00 54.13 53.32 1v86 s LEU 20 Cb -0.22 0.54 -0.04 0.00 0.03 0.00 0.00 46.19 46.50 1v86 s LEU 20 CO 0.25 -0.25 0.16 -0.54 0.23 0.00 0.00 176.35 176.20 1v86 s LYS 21 N -0.87 3.86 -1.17 1.70 1.02 0.44 -3.31 119.74 121.41 1v86 s LYS 21 Ca -0.10 -0.37 -0.20 0.00 0.02 0.00 0.00 55.97 55.32 1v86 s LYS 21 Cb -0.05 -3.57 0.06 0.00 -0.52 0.00 0.00 37.83 33.74 1v86 s LYS 21 CO 0.01 -0.19 1.62 0.42 -0.92 0.00 0.00 175.35 176.29 1v86 s ILE 22 N 1.72 4.01 -0.24 2.17 -1.09 -1.13 -0.88 121.20 125.76 1v86 s ILE 22 Ca 0.07 -1.38 -0.27 0.00 -2.23 0.00 0.00 60.65 56.85 1v86 s ILE 22 Cb -0.16 -5.11 0.00 0.00 -1.58 0.00 0.00 42.46 35.62 1v86 s ILE 22 CO 0.09 -1.95 0.93 -0.63 -1.23 0.00 0.00 174.94 172.14 1v86 s ILE 23 N 4.79 4.76 -0.30 2.92 -1.09 0.27 -3.66 121.20 128.90 1v86 s ILE 23 Ca 0.51 1.78 -0.02 0.00 -2.23 0.00 0.00 60.65 60.69 1v86 s ILE 23 Cb 0.02 -4.21 0.19 0.00 -1.58 0.00 0.00 42.46 36.88 1v86 s ILE 23 CO 0.00 -0.12 0.62 0.86 -1.23 0.00 0.00 174.94 175.07 1v86 s TRP 24 N 3.00 -1.56 0.00 3.97 -0.00 -1.23 0.33 118.94 123.45 1v86 s TRP 24 Ca 0.39 1.70 0.00 0.00 -0.00 0.00 0.00 56.10 58.19 1v86 s TRP 24 Cb -0.15 0.56 0.00 0.00 -0.00 0.00 0.00 33.47 33.88 1v86 s TRP 24 CO 0.07 -0.85 0.00 0.09 -0.00 0.00 0.00 176.95 176.25 1v86 n ASN 25 N 5.43 0.00 0.00 5.86 3.02 -1.26 -2.15 115.26 126.16 1v86 n ASN 25 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1v86 n ASN 25 Cb 0.51 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 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 -4.33 3.52 4.76 -1.26 -5.16 118.16 115.69 1v86 n LYS 26 Ca 0.00 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.19 1v86 n LYS 26 Cb 0.00 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.06 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 1.91 -0.37 -0.18 -4.23 -0.91 -5.11 115.64 106.75 1v86 s THR 27 Ca 0.00 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 1v86 s THR 27 Cb 0.00 -1.73 0.12 0.00 1.34 0.00 0.00 72.50 72.23 1v86 s THR 27 CO 0.00 -0.03 0.18 -0.54 -0.54 0.00 0.00 174.62 173.69 1v86 s LYS 28 N -2.03 0.86 -0.38 3.99 1.02 -1.24 -3.51 119.74 118.45 1v86 s LYS 28 Ca 0.10 -1.45 -0.15 0.00 0.02 0.00 0.00 55.97 54.49 1v86 s LYS 28 Cb -0.10 -1.92 0.00 0.00 -0.52 0.00 0.00 37.83 35.30 1v86 s LYS 28 CO 0.05 -1.10 0.31 -1.01 -0.92 0.00 0.00 175.35 172.67 1v86 s HIS 29 N 1.05 3.22 -0.56 3.18 3.76 -1.24 -4.85 115.29 119.85 1v86 s HIS 29 Ca 0.15 -0.38 -0.28 0.00 -0.15 0.00 0.00 55.06 54.40 1v86 s HIS 29 Cb -0.21 -2.61 0.00 0.00 1.11 0.00 0.00 32.58 30.87 1v86 s HIS 29 CO -0.10 -0.52 1.55 0.16 -0.85 0.00 0.00 174.74 174.98 1v86 s ASP 30 N 1.72 5.91 -0.01 1.40 -4.77 -1.26 -2.84 116.67 116.81 1v86 s ASP 30 Ca 0.07 0.36 0.08 0.00 -3.30 0.00 0.00 52.55 49.76 1v86 s ASP 30 Cb -0.18 -2.54 -0.02 0.00 -1.09 0.00 0.00 42.92 39.09 1v86 s ASP 30 CO 0.11 -1.87 -0.25 0.68 0.70 0.00 0.00 175.17 174.53 1v86 s VAL 31 N 6.82 2.02 -0.33 2.11 -7.23 -1.21 -5.03 120.40 117.54 1v86 s VAL 31 Ca 0.58 -1.12 -0.09 0.00 -1.81 0.00 0.00 61.98 59.54 1v86 s VAL 31 Cb -0.12 -1.68 0.02 0.00 0.56 0.00 0.00 36.38 35.16 1v86 s VAL 31 CO 0.24 0.54 0.14 -1.59 -0.31 0.00 0.00 175.10 174.12 1v86 s LYS 32 N -0.67 2.92 0.14 4.82 -2.85 -1.26 -2.95 119.74 119.89 1v86 s LYS 32 Ca 0.10 -0.99 0.08 0.00 -1.00 0.00 0.00 55.97 54.16 1v86 s LYS 32 Cb -0.10 -3.54 -0.04 0.00 -2.06 0.00 0.00 37.83 32.09 1v86 s LYS 32 CO -0.01 -0.58 -0.18 0.14 0.10 0.00 0.00 175.35 174.82 1v86 s VAL 33 N 1.51 1.68 0.56 1.79 -7.23 -0.91 -4.82 120.40 112.98 1v86 s VAL 33 Ca 0.02 -1.76 -0.17 0.00 -1.81 0.00 0.00 61.98 58.26 1v86 s VAL 33 Cb -0.18 -1.68 -0.05 0.00 0.56 0.00 0.00 36.38 35.02 1v86 s VAL 33 CO 0.05 -0.26 1.05 -2.16 -0.31 0.00 0.00 175.10 173.46 1v86 s PRO 34 N -2.49 3.50 0.45 4.82 0.04 -1.26 0.19 135.00 140.25 1v86 s PRO 34 Ca 0.11 1.21 0.25 0.00 0.04 0.00 0.00 61.00 62.62 1v86 s PRO 34 Cb -0.07 -2.06 0.64 0.00 0.04 0.00 0.00 34.50 33.05 1v86 s PRO 34 CO 0.05 -0.67 1.71 1.25 0.04 0.00 0.00 177.00 179.39 1v86 h LEU 35 N 0.75 0.00 -1.72 -3.56 5.85 -1.93 -2.81 115.31 111.88 1v86 h LEU 35 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 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 0.58 0.09 0.00 -0.78 -0.34 0.00 0.00 178.44 177.99 1v86 h ASP 36 N 0.00 0.00 -2.63 1.25 3.58 -1.92 -3.12 116.42 113.57 1v86 h ASP 36 Ca -0.00 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.93 1v86 h ASP 36 Cb 0.89 0.00 0.05 0.00 1.72 0.00 0.00 39.33 42.00 1v86 h ASP 36 CO 0.01 0.00 1.04 -0.44 -2.88 0.00 0.00 179.24 176.97 1v86 s SER 37 N -4.69 6.41 0.45 2.28 0.01 -1.06 -4.85 113.70 112.24 1v86 s SER 37 Ca -0.01 2.82 -0.22 0.00 1.31 0.00 0.00 55.95 59.85 1v86 s SER 37 Cb 0.09 -2.59 -0.08 0.00 0.21 0.00 0.00 66.02 63.65 1v86 s SER 37 CO 0.36 -0.97 1.07 0.42 0.41 0.00 0.00 173.24 174.53 1v86 s THR 38 N 1.67 3.59 0.61 1.44 -4.23 -1.26 -2.16 115.64 115.30 1v86 s THR 38 Ca 0.76 1.12 0.25 0.00 -1.18 0.00 0.00 61.69 62.65 1v86 s THR 38 Cb -0.48 -3.53 0.34 0.00 1.34 0.00 0.00 72.50 70.16 1v86 s THR 38 CO 0.33 -0.09 1.57 1.23 -0.54 0.00 0.00 174.62 177.13 1v86 h GLY 39 N 2.02 0.00 1.09 3.99 0.00 -1.48 1.18 103.07 109.86 1v86 h GLY 39 Ca -0.49 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.50 1v86 h GLY 39 CO 0.60 0.00 -1.60 0.23 0.00 0.00 0.00 176.54 175.78 1v86 h SER 40 N 0.00 0.74 -0.11 0.19 0.87 -1.83 -3.27 113.55 110.15 1v86 h SER 40 Ca 0.28 -0.93 0.03 0.00 -1.23 0.00 0.00 61.79 59.94 1v86 h SER 40 Cb 1.90 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 63.61 1v86 h SER 40 CO -0.00 1.75 0.11 -0.33 -0.53 0.00 0.00 176.83 177.83 1v86 h GLU 41 N 0.12 0.00 -0.67 2.24 5.08 0.11 -1.34 114.58 120.10 1v86 h GLU 41 Ca -0.30 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.19 1v86 h GLU 41 Cb 2.13 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 31.29 1v86 h GLU 41 CO 0.23 0.00 0.20 -0.07 -1.00 0.00 0.00 179.01 178.37 1v86 h LEU 42 N 0.00 0.12 -0.53 1.33 3.38 -1.44 0.69 115.31 118.86 1v86 h LEU 42 Ca 0.05 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.17 1v86 h LEU 42 Cb 0.28 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1v86 h LEU 42 CO -0.00 0.05 0.30 0.11 0.09 0.00 0.00 178.44 178.99 1v86 h LYS 43 N 0.34 0.58 0.00 1.13 1.79 -1.43 1.29 116.57 120.27 1v86 h LYS 43 Ca 0.36 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.80 1v86 h LYS 43 Cb 0.55 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1v86 h LYS 43 CO -0.41 0.38 0.00 1.96 -1.08 0.00 0.00 179.45 180.31 1v86 h GLN 44 N 0.60 0.00 0.05 3.15 4.20 -0.84 0.76 115.11 123.03 1v86 h GLN 44 Ca 0.22 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.62 1v86 h GLN 44 Cb 0.06 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 1v86 h GLN 44 CO -0.12 0.00 -1.71 -0.22 -0.67 0.00 0.00 178.83 176.11 1v86 h LYS 45 N 0.00 0.10 0.17 1.46 1.63 0.27 -3.24 116.57 116.96 1v86 h LYS 45 Ca 0.00 -0.17 -0.31 0.00 -0.85 0.00 0.00 60.65 59.32 1v86 h LYS 45 Cb 0.48 0.06 0.01 0.00 -0.60 0.00 0.00 32.23 32.19 1v86 h LYS 45 CO 0.00 0.78 -1.45 0.82 -3.45 0.00 0.00 179.45 176.15 1v86 h ILE 46 N 0.03 1.28 0.00 2.00 2.04 0.20 -3.22 117.51 119.83 1v86 h ILE 46 Ca -0.30 -2.83 -0.01 0.00 1.00 0.00 0.00 64.86 62.73 1v86 h ILE 46 Cb 2.00 2.90 -0.00 0.00 -0.74 0.00 0.00 36.82 40.99 1v86 h ILE 46 CO 0.10 0.85 -0.05 -0.74 0.00 0.00 0.00 178.15 178.30 1v86 h HIS 47 N 0.10 0.00 0.00 1.37 -0.00 0.39 1.39 115.15 118.40 1v86 h HIS 47 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.15 1v86 h HIS 47 Cb 2.06 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.47 1v86 h HIS 47 CO 0.09 0.05 0.00 0.43 -0.00 0.00 0.00 177.93 178.50 1v86 n SER 48 N -3.89 0.35 0.01 3.26 7.64 -1.22 -1.43 113.62 118.34 1v86 n SER 48 Ca -0.03 0.56 -0.02 0.00 1.01 0.00 0.00 58.87 60.39 1v86 n SER 48 Cb 0.14 -0.64 -0.01 0.00 -1.01 0.00 0.00 64.21 62.69 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 -1.86 1.23 -0.08 0.44 5.41 0.91 -4.68 119.36 120.74 1v86 n ILE 49 Ca 0.05 0.32 0.15 0.00 1.00 0.00 0.00 62.75 64.27 1v86 n ILE 49 Cb 0.29 -1.76 0.55 0.00 -0.71 0.00 0.00 39.64 38.01 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 -0.26 0.82 0.00 1.39 1.35 0.15 -3.45 112.91 112.91 1v86 h THR 50 Ca 0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1v86 h THR 50 Cb 0.26 0.49 0.00 0.00 -1.73 0.00 0.00 68.15 67.18 1v86 h THR 50 CO 0.00 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 1v86 n GLY 51 N -1.55 2.74 3.66 5.82 0.00 -0.52 -5.01 105.19 110.34 1v86 n GLY 51 Ca 0.11 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 1.68 0.54 0.99 2.34 -1.26 -4.93 118.68 118.04 1v86 s LEU 52 Ca 0.00 1.32 -0.18 0.00 0.06 0.00 0.00 54.13 55.33 1v86 s LEU 52 Cb 0.00 -3.53 -0.06 0.00 -0.56 0.00 0.00 46.19 42.04 1v86 s LEU 52 CO 0.00 -3.16 1.04 -2.16 -1.06 0.00 0.00 176.35 171.02 1v86 s PRO 53 N -4.89 3.59 0.27 1.48 0.04 -1.26 -4.43 135.00 129.80 1v86 s PRO 53 Ca 0.65 1.26 0.13 0.00 0.04 0.00 0.00 61.00 63.08 1v86 s PRO 53 Cb -0.19 -2.07 0.29 0.00 0.04 0.00 0.00 34.50 32.57 1v86 s PRO 53 CO 0.58 -0.59 1.55 -1.00 0.04 0.00 0.00 177.00 177.58 1v86 h PRO 54 N 1.00 0.00 -0.25 0.56 0.13 -1.95 -3.01 132.00 128.48 1v86 h PRO 54 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 1v86 h PRO 54 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1v86 h PRO 54 CO 0.58 0.61 0.03 0.00 -0.23 0.00 0.00 178.00 178.99 1v86 h ALA 55 N 1.39 1.59 -0.88 -0.56 0.00 -1.94 -1.85 119.26 117.01 1v86 h ALA 55 Ca -0.01 -0.13 -0.57 0.00 0.00 0.00 0.00 54.91 54.21 1v86 h ALA 55 Cb 1.22 -0.11 -0.29 0.00 0.00 0.00 0.00 17.79 18.60 1v86 h ALA 55 CO 0.08 0.31 0.46 -1.33 0.00 0.00 0.00 179.25 178.76 1v86 n MET 56 N -4.36 2.63 -4.80 0.00 2.81 -1.14 -4.95 117.12 107.30 1v86 n MET 56 Ca 0.01 -3.35 -0.33 0.00 -1.81 0.00 0.00 57.70 52.22 1v86 n MET 56 Cb 0.18 -2.21 -0.13 0.00 -0.71 0.00 0.00 33.22 30.36 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 -3.61 2.48 -0.55 0.03 -0.21 -0.70 -4.67 119.66 112.43 1v86 s GLN 57 Ca 0.59 -0.72 -0.00 0.00 0.02 0.00 0.00 55.36 55.25 1v86 s GLN 57 Cb 0.48 -2.39 0.14 0.00 1.00 0.00 0.00 33.01 32.24 1v86 s GLN 57 CO 0.02 0.62 0.33 0.21 -2.12 0.00 0.00 175.29 174.35 1v86 s LYS 58 N -0.89 2.24 -0.40 2.91 2.20 -1.26 -4.95 119.74 119.59 1v86 s LYS 58 Ca 0.12 -2.44 -0.26 0.00 -0.36 0.00 0.00 55.97 53.03 1v86 s LYS 58 Cb -0.11 -3.55 0.02 0.00 -1.51 0.00 0.00 37.83 32.69 1v86 s LYS 58 CO 0.02 -1.13 0.94 0.08 -0.36 0.00 0.00 175.35 174.91 1v86 s VAL 59 N 0.05 4.52 -0.17 4.02 1.01 -1.26 -3.90 120.40 124.67 1v86 s VAL 59 Ca 0.16 1.07 -0.06 0.00 0.00 0.00 0.00 61.98 63.14 1v86 s VAL 59 Cb -0.22 -4.39 0.08 0.00 0.00 0.00 0.00 36.38 31.85 1v86 s VAL 59 CO -0.03 -0.66 0.36 -0.04 0.00 0.00 0.00 175.10 174.73 1v86 s MET 60 N 3.64 0.26 -0.32 2.72 1.00 -1.20 -3.94 119.30 121.46 1v86 s MET 60 Ca 0.39 0.92 0.01 0.00 0.00 0.00 0.00 55.69 57.01 1v86 s MET 60 Cb -0.11 0.19 0.10 0.00 0.00 0.00 0.00 34.83 35.01 1v86 s MET 60 CO 0.22 -0.26 0.08 -0.47 0.00 0.00 0.00 175.02 174.59 1v86 s TYR 61 N 2.49 2.48 -1.28 -0.03 5.04 -1.26 -2.83 117.35 121.95 1v86 s TYR 61 Ca -0.01 -2.22 0.00 0.00 -2.44 0.00 0.00 57.07 52.40 1v86 s TYR 61 Cb -0.12 -2.17 0.00 0.00 0.35 0.00 0.00 41.96 40.02 1v86 s TYR 61 CO -0.11 -0.90 0.00 1.63 -1.34 0.00 0.00 175.55 174.83 1v86 n LYS 62 N 4.60 -1.44 0.00 4.97 5.02 -1.26 -4.71 118.16 125.34 1v86 n LYS 62 Ca 0.00 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 1v86 n LYS 62 Cb 0.42 -5.01 0.00 0.00 -0.02 0.00 0.00 35.03 30.41 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 -0.34 3.73 3.69 0.72 0.00 -1.26 -5.12 105.19 106.61 1v86 n GLY 63 Ca -0.13 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 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 3.38 -4.42 0.99 7.99 -1.26 -4.66 117.00 119.02 1v86 n LEU 64 Ca 0.00 1.21 -0.36 0.00 -0.01 0.00 0.00 56.01 56.84 1v86 n LEU 64 Cb 0.00 -1.47 -0.13 0.00 -0.11 0.00 0.00 43.42 41.72 1v86 n LEU 64 CO 0.00 -0.57 -0.30 -0.69 -1.51 0.00 0.00 177.39 174.32 1v86 s VAL 65 N -1.08 4.13 0.15 4.08 1.01 -1.25 -4.88 120.40 122.55 1v86 s VAL 65 Ca 0.56 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 1v86 s VAL 65 Cb -0.58 -2.93 -0.07 0.00 0.00 0.00 0.00 36.38 32.80 1v86 s VAL 65 CO 0.62 0.34 1.13 -2.16 0.00 0.00 0.00 175.10 175.03 1v86 s PRO 66 N 1.59 4.55 0.08 2.72 0.04 -1.26 -4.94 135.00 137.77 1v86 s PRO 66 Ca 0.06 1.74 0.04 0.00 0.04 0.00 0.00 61.00 62.88 1v86 s PRO 66 Cb -0.15 -3.29 -0.23 0.00 0.04 0.00 0.00 34.50 30.87 1v86 s PRO 66 CO 0.02 -0.01 1.14 0.93 0.04 0.00 0.00 177.00 179.13 1v86 h GLU 67 N 5.47 0.08 0.00 4.56 5.08 -1.97 -3.17 114.58 124.64 1v86 h GLU 67 Ca -0.44 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 57.78 1v86 h GLU 67 Cb 1.21 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 1v86 h GLU 67 CO 0.74 1.01 -0.01 0.22 -1.00 0.00 0.00 179.01 179.97 1v86 h ASP 68 N 0.02 0.00 -3.85 1.42 1.82 -1.95 -3.31 116.42 110.56 1v86 h ASP 68 Ca -0.09 0.00 -0.68 0.00 -0.39 0.00 0.00 57.03 55.87 1v86 h ASP 68 Cb 1.86 0.00 -0.21 0.00 0.68 0.00 0.00 39.33 41.67 1v86 h ASP 68 CO 0.14 0.01 -0.76 -0.54 -1.61 0.00 0.00 179.24 176.49 1v86 s LYS 69 N -3.94 2.38 0.76 0.28 -0.14 -1.20 -4.96 119.74 112.93 1v86 s LYS 69 Ca -0.02 -0.80 -0.10 0.00 -1.36 0.00 0.00 55.97 53.70 1v86 s LYS 69 Cb 0.11 -2.36 0.07 0.00 -1.68 0.00 0.00 37.83 33.98 1v86 s LYS 69 CO 0.49 0.59 1.11 0.95 -0.76 0.00 0.00 175.35 177.73 1v86 s THR 70 N -0.89 2.13 0.11 2.17 -4.23 -1.26 -1.97 115.64 111.69 1v86 s THR 70 Ca 0.15 -0.13 -0.33 0.00 -1.18 0.00 0.00 61.69 60.20 1v86 s THR 70 Cb -0.11 -3.00 -0.13 0.00 1.34 0.00 0.00 72.50 70.60 1v86 s THR 70 CO 0.05 0.00 1.53 -0.07 -0.54 0.00 0.00 174.62 175.59 1v86 h LEU 71 N -0.86 -1.60 -1.76 4.79 3.38 -1.49 1.96 115.31 119.73 1v86 h LEU 71 Ca -0.45 0.18 0.19 0.00 0.09 0.00 0.00 57.88 57.89 1v86 h LEU 71 Cb 1.32 0.61 -0.03 0.00 0.09 0.00 0.00 40.66 42.65 1v86 h LEU 71 CO 0.62 -0.50 0.68 -0.09 0.09 0.00 0.00 178.44 179.24 1v86 h ARG 72 N -0.65 0.00 0.07 1.13 2.43 -1.82 0.68 114.38 116.23 1v86 h ARG 72 Ca 0.01 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.94 1v86 h ARG 72 Cb 0.70 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1v86 h ARG 72 CO -0.35 0.00 -1.28 0.93 -1.51 0.00 0.00 179.97 177.76 1v86 h GLU 73 N 0.00 0.15 0.00 0.20 5.08 -0.37 -3.30 114.58 116.34 1v86 h GLU 73 Ca 0.31 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1v86 h GLU 73 Cb 1.66 0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.01 1v86 h GLU 73 CO -0.00 1.13 0.00 0.44 -1.00 0.00 0.00 179.01 179.57 1v86 n ILE 74 N -4.09 1.22 -1.39 3.13 -6.64 0.62 -4.89 119.36 107.32 1v86 n ILE 74 Ca -0.26 0.31 0.00 0.00 -1.77 0.00 0.00 62.75 61.02 1v86 n ILE 74 Cb 0.81 -1.11 0.00 0.00 -1.44 0.00 0.00 39.64 37.90 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 -1.50 0.00 -4.39 6.28 5.02 0.21 -5.04 118.16 118.74 1v86 n LYS 75 Ca 0.03 0.46 -0.22 0.00 -2.02 0.00 0.00 58.31 56.57 1v86 n LYS 75 Cb 0.13 -1.11 -0.10 0.00 -0.02 0.00 0.00 35.03 33.93 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 -0.37 2.05 0.16 -0.18 1.01 -1.03 -4.97 120.40 117.07 1v86 s VAL 76 Ca 0.00 -2.22 -0.03 0.00 0.00 0.00 0.00 61.98 59.73 1v86 s VAL 76 Cb 0.00 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1v86 s VAL 76 CO 0.00 -0.44 0.14 0.42 0.00 0.00 0.00 175.10 175.21 1v86 s THR 77 N -2.55 0.07 -0.57 3.92 -4.23 -1.26 -4.83 115.64 106.17 1v86 s THR 77 Ca 0.24 -1.81 -0.28 0.00 -1.18 0.00 0.00 61.69 58.66 1v86 s THR 77 Cb -0.04 -2.12 0.01 0.00 1.34 0.00 0.00 72.50 71.70 1v86 s THR 77 CO 0.10 -0.30 1.45 -0.94 -0.54 0.00 0.00 174.62 174.38 1v86 s SER 78 N -3.06 6.06 0.00 3.99 1.04 -1.26 -2.71 113.70 117.76 1v86 s SER 78 Ca 0.26 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.95 1v86 s SER 78 Cb 0.06 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.64 1v86 s SER 78 CO 0.04 -1.77 0.00 0.61 0.98 0.00 0.00 173.24 173.10 1v86 n GLY 79 N 5.31 1.86 3.91 7.32 0.00 0.49 -4.71 105.19 119.37 1v86 n GLY 79 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 2.55 0.06 4.61 0.00 -1.10 -4.80 121.76 121.08 1v86 s ALA 80 Ca 0.00 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.20 1v86 s ALA 80 Cb 0.00 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 1v86 s ALA 80 CO 0.00 -1.86 0.05 0.15 0.00 0.00 0.00 175.76 174.10 1v86 s LYS 81 N -5.65 2.80 -0.26 0.00 1.02 -1.26 -0.42 119.74 115.97 1v86 s LYS 81 Ca 0.65 -0.69 -0.04 0.00 0.02 0.00 0.00 55.97 55.92 1v86 s LYS 81 Cb -0.09 -2.69 0.09 0.00 -0.52 0.00 0.00 37.83 34.62 1v86 s LYS 81 CO 0.50 0.58 0.11 0.42 -0.92 0.00 0.00 175.35 176.04 1v86 s ILE 82 N -1.29 0.14 -0.09 2.17 -1.09 -0.06 -4.58 121.20 116.39 1v86 s ILE 82 Ca 0.26 -0.75 -0.24 0.00 -2.23 0.00 0.00 60.65 57.69 1v86 s ILE 82 Cb -0.12 -1.03 -0.03 0.00 -1.58 0.00 0.00 42.46 39.70 1v86 s ILE 82 CO 0.18 -0.60 0.72 -0.04 -1.23 0.00 0.00 174.94 173.97 1v86 s MET 83 N 2.00 4.40 0.31 2.79 -1.94 -1.13 0.96 119.30 126.70 1v86 s MET 83 Ca 0.07 0.90 0.11 0.00 -1.71 0.00 0.00 55.69 55.06 1v86 s MET 83 Cb -0.16 -3.48 -0.06 0.00 2.01 0.00 0.00 34.83 33.14 1v86 s MET 83 CO -0.28 -0.02 -0.16 0.08 -0.01 0.00 0.00 175.02 174.64 1v86 s VAL 84 N 1.09 2.37 0.30 -6.03 1.01 0.15 -3.21 120.40 116.08 1v86 s VAL 84 Ca 0.37 -2.32 0.09 0.00 0.00 0.00 0.00 61.98 60.12 1v86 s VAL 84 Cb -0.18 -2.44 -0.06 0.00 0.00 0.00 0.00 36.38 33.70 1v86 s VAL 84 CO 0.17 -0.32 -0.11 0.54 0.00 0.00 0.00 175.10 175.38 1v86 s VAL 85 N -2.56 2.07 0.00 2.92 0.11 -1.26 -4.45 120.40 117.23 1v86 s VAL 85 Ca 0.31 -2.22 0.00 0.00 -2.93 0.00 0.00 61.98 57.14 1v86 s VAL 85 Cb -0.02 -2.48 0.00 0.00 -1.53 0.00 0.00 36.38 32.35 1v86 s VAL 85 CO 0.16 -0.30 0.00 0.61 -3.33 0.00 0.00 175.10 172.24 1v86 n GLY 86 N -0.67 1.70 2.75 6.54 0.00 -1.26 -4.63 105.19 109.61 1v86 n GLY 86 Ca -0.05 -2.02 0.02 0.00 0.00 0.00 0.00 46.02 43.97 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 0.00 -0.15 -0.18 1.61 0.15 -1.26 -4.95 113.70 108.92 1v86 s SER 87 Ca 0.00 -0.07 -0.16 0.00 0.70 0.00 0.00 55.95 56.43 1v86 s SER 87 Cb 0.00 0.27 0.05 0.00 -1.71 0.00 0.00 66.02 64.63 1v86 s SER 87 CO 0.00 -0.02 0.47 0.28 1.20 0.00 0.00 173.24 175.17 1v86 s THR 88 N 2.08 -0.00 -0.25 6.45 -1.32 -1.26 -5.14 115.64 116.20 1v86 s THR 88 Ca 0.16 0.01 -0.17 0.00 -1.21 0.00 0.00 61.69 60.48 1v86 s THR 88 Cb 0.04 -0.66 -0.03 0.00 -1.51 0.00 0.00 72.50 70.34 1v86 s THR 88 CO -0.17 0.00 0.47 0.27 -2.21 0.00 0.00 174.62 172.98 1v86 s ILE 89 N 0.38 5.11 0.53 5.08 -5.25 -1.26 -5.04 121.20 120.76 1v86 s ILE 89 Ca -0.01 0.79 -0.21 0.00 -0.99 0.00 0.00 60.65 60.23 1v86 s ILE 89 Cb -0.04 -3.79 -0.07 0.00 2.95 0.00 0.00 42.46 41.52 1v86 s ILE 89 CO -0.01 0.12 1.05 -1.54 -1.79 0.00 0.00 174.94 172.77 1v86 n SER 90 N 5.35 1.27 0.00 4.36 3.41 -1.26 -4.92 113.62 121.83 1v86 n SER 90 Ca -0.06 0.91 0.00 0.00 -0.26 0.00 0.00 58.87 59.46 1v86 n SER 90 Cb 0.50 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 1v86 n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v86 n GLY 91 N 1.16 -0.37 3.80 5.00 0.00 -1.26 -5.13 105.19 108.39 1v86 n GLY 91 Ca 0.11 0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.42 1.98 -0.29 1.61 0.04 -1.26 -5.07 135.00 131.58 1v86 s PRO 92 Ca 0.00 0.60 0.04 0.00 0.04 0.00 0.00 61.00 61.67 1v86 s PRO 92 Cb 0.00 -1.91 0.19 0.00 0.04 0.00 0.00 34.50 32.82 1v86 s PRO 92 CO 0.00 -1.68 0.58 -1.12 0.04 0.00 0.00 177.00 174.82 1v86 s SER 93 N -3.92 -1.48 -0.18 6.66 0.01 -1.26 -5.14 113.70 108.40 1v86 s SER 93 Ca 0.61 0.38 0.01 0.00 1.31 0.00 0.00 55.95 58.26 1v86 s SER 93 Cb -0.14 2.04 0.02 0.00 0.21 0.00 0.00 66.02 68.14 1v86 s SER 93 CO 0.54 -0.29 -0.20 -0.44 0.41 0.00 0.00 173.24 173.26 1v86 s SER 94 N 2.83 3.14 0.00 2.44 0.01 -1.26 -5.35 113.70 115.51 1v86 s SER 94 Ca 0.13 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.75 1v86 s SER 94 Cb -0.12 -1.48 0.00 0.00 0.21 0.00 0.00 66.02 64.64 1v86 s SER 94 CO -0.24 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.03