#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 -0.29 0.00 1.61 0.01 -1.26 -5.17 113.70 108.60 1v86 s SER 2 Ca 0.00 0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.67 1v86 s SER 2 Cb 0.00 1.29 0.00 0.00 0.21 0.00 0.00 66.02 67.52 1v86 s SER 2 CO 0.00 -0.06 0.00 -0.24 0.41 0.00 0.00 173.24 173.35 1v86 n SER 3 N 4.44 0.00 0.00 2.44 2.88 -1.26 -5.19 113.62 116.93 1v86 n SER 3 Ca -0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 1v86 n SER 3 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 1v86 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v86 n GLY 4 N -0.08 1.44 3.49 0.46 0.00 -1.26 -5.17 105.19 104.07 1v86 n GLY 4 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1v86 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v86 s SER 5 N 0.00 -0.55 0.06 1.61 0.15 -1.26 -5.18 113.70 108.54 1v86 s SER 5 Ca 0.00 0.79 -0.28 0.00 0.70 0.00 0.00 55.95 57.16 1v86 s SER 5 Cb 0.00 1.50 0.09 0.00 -1.71 0.00 0.00 66.02 65.90 1v86 s SER 5 CO 0.00 -0.11 1.13 -0.44 1.20 0.00 0.00 173.24 175.02 1v86 s SER 6 N 2.05 -0.11 0.00 5.45 0.01 -1.26 -5.19 113.70 114.65 1v86 s SER 6 Ca -0.05 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 56.95 1v86 s SER 6 Cb -0.05 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1v86 s SER 6 CO -0.16 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 173.51 1v86 n GLY 7 N -0.48 3.27 0.00 3.44 0.00 -1.26 -5.18 105.19 104.97 1v86 n GLY 7 Ca -0.07 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.77 0.00 -3.62 1.61 2.03 -1.26 -5.19 116.55 108.35 1v86 n ASP 8 Ca 0.00 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.27 1v86 n ASP 8 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 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 -1.27 -2.09 0.00 -1.67 0.00 -1.26 -5.18 121.76 110.29 1v86 s ALA 9 Ca 0.00 1.79 0.00 0.00 0.00 0.00 0.00 51.96 53.75 1v86 s ALA 9 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 22.12 1v86 s ALA 9 CO 0.00 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.82 1v86 n GLY 10 N 0.37 3.97 3.64 0.00 0.00 -1.26 -5.15 105.19 106.76 1v86 n GLY 10 Ca -0.01 -1.59 -0.04 0.00 0.00 0.00 0.00 46.02 44.38 1v86 n GLY 10 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1v86 s GLY 11 N 0.00 0.20 0.00 -0.02 0.00 -1.26 -5.17 107.32 101.07 1v86 s GLY 11 Ca 0.00 3.17 0.00 0.00 0.00 0.00 0.00 44.72 47.89 1v86 s GLY 11 CO 0.00 1.65 0.00 0.61 0.00 0.00 0.00 173.10 175.36 1v86 n GLY 12 N 1.29 6.54 3.64 0.20 0.00 -1.26 -5.07 105.19 110.54 1v86 n GLY 12 Ca -0.08 -1.93 -0.05 0.00 0.00 0.00 0.00 46.02 43.96 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 1.47 0.00 0.00 1.61 0.11 -1.26 -5.07 120.40 117.25 1v86 s VAL 13 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1v86 s VAL 13 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1v86 s VAL 13 CO 0.00 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 1v86 n GLY 14 N 2.02 0.76 1.10 6.54 0.00 -1.26 -4.84 105.19 109.50 1v86 n GLY 14 Ca -0.12 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.11 -1.56 1.61 4.81 -1.26 -4.49 118.16 114.16 1v86 n LYS 15 Ca 0.00 2.33 -0.60 0.00 -0.87 0.00 0.00 58.31 59.17 1v86 n LYS 15 Cb 0.00 -2.67 -0.08 0.00 0.02 0.00 0.00 35.03 32.30 1v86 n LYS 15 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1v86 n GLU 16 N -1.13 0.09 -1.61 1.64 2.13 -1.26 -4.77 120.64 115.73 1v86 n GLU 16 Ca 0.00 0.03 -0.37 0.00 0.66 0.00 0.00 57.16 57.48 1v86 n GLU 16 Cb 0.05 -1.54 0.06 0.00 0.27 0.00 0.00 31.44 30.28 1v86 n GLU 16 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1v86 n LEU 17 N 2.17 4.03 -4.89 4.31 7.99 -1.26 -4.78 117.00 124.57 1v86 n LEU 17 Ca 0.22 0.78 -0.30 0.00 -0.01 0.00 0.00 56.01 56.71 1v86 n LEU 17 Cb 0.06 -1.41 -0.04 0.00 -0.11 0.00 0.00 43.42 41.92 1v86 n LEU 17 CO 0.68 -1.79 0.30 0.54 -1.51 0.00 0.00 177.39 175.60 1v86 s VAL 18 N -1.53 4.90 -0.42 4.08 0.11 0.35 -4.74 120.40 123.15 1v86 s VAL 18 Ca 0.77 0.38 -0.18 0.00 -2.93 0.00 0.00 61.98 60.03 1v86 s VAL 18 Cb -0.40 -3.70 0.02 0.00 -1.53 0.00 0.00 36.38 30.77 1v86 s VAL 18 CO 0.46 -0.33 0.46 -1.81 -3.33 0.00 0.00 175.10 170.55 1v86 s ASP 19 N -2.94 6.21 0.11 3.54 1.01 -1.26 -2.53 116.67 120.80 1v86 s ASP 19 Ca 0.48 -0.61 0.06 0.00 0.71 0.00 0.00 52.55 53.18 1v86 s ASP 19 Cb -0.11 -2.23 -0.04 0.00 1.01 0.00 0.00 42.92 41.55 1v86 s ASP 19 CO 0.28 -0.59 -0.03 -0.76 0.21 0.00 0.00 175.17 174.27 1v86 s LEU 20 N 2.21 3.31 -0.37 1.23 1.43 -1.16 -2.67 118.68 122.66 1v86 s LEU 20 Ca 0.13 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 52.85 1v86 s LEU 20 Cb -0.17 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 44.02 1v86 s LEU 20 CO 0.14 0.17 0.21 -0.54 0.23 0.00 0.00 176.35 176.56 1v86 s LYS 21 N -2.35 2.96 -1.03 1.70 1.02 -0.99 -3.42 119.74 117.62 1v86 s LYS 21 Ca 0.25 -0.99 -0.23 0.00 0.02 0.00 0.00 55.97 55.01 1v86 s LYS 21 Cb -0.11 -3.74 0.00 0.00 -0.52 0.00 0.00 37.83 33.46 1v86 s LYS 21 CO 0.17 -0.65 1.71 0.42 -0.92 0.00 0.00 175.35 176.08 1v86 s ILE 22 N 1.59 3.74 0.07 2.17 -1.09 -1.20 -1.76 121.20 124.72 1v86 s ILE 22 Ca 0.03 -0.78 -0.29 0.00 -2.23 0.00 0.00 60.65 57.39 1v86 s ILE 22 Cb -0.19 -4.66 -0.05 0.00 -1.58 0.00 0.00 42.46 35.98 1v86 s ILE 22 CO 0.07 -1.51 0.91 -0.63 -1.23 0.00 0.00 174.94 172.56 1v86 s ILE 23 N 7.27 4.63 -0.30 2.92 -1.09 0.38 -3.67 121.20 131.35 1v86 s ILE 23 Ca 0.58 1.96 -0.11 0.00 -2.23 0.00 0.00 60.65 60.84 1v86 s ILE 23 Cb -0.02 -4.27 0.18 0.00 -1.58 0.00 0.00 42.46 36.77 1v86 s ILE 23 CO -0.02 0.30 0.99 0.86 -1.23 0.00 0.00 174.94 175.83 1v86 s TRP 24 N 0.19 -0.68 0.00 3.97 -0.00 -1.23 -0.89 118.94 120.30 1v86 s TRP 24 Ca 0.46 0.69 0.00 0.00 -0.00 0.00 0.00 56.10 57.24 1v86 s TRP 24 Cb -0.22 0.23 0.00 0.00 -0.00 0.00 0.00 33.47 33.47 1v86 s TRP 24 CO 0.28 -0.37 0.00 0.09 -0.00 0.00 0.00 176.95 176.94 1v86 n ASN 25 N 5.44 0.00 -1.86 5.86 3.02 -1.26 -2.14 115.26 124.32 1v86 n ASN 25 Ca -0.05 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.49 1v86 n ASN 25 Cb 0.54 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.72 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 0.17 -4.52 3.52 2.85 -1.26 -5.15 118.16 113.77 1v86 n LYS 26 Ca 0.00 -0.26 -0.25 0.00 -1.05 0.00 0.00 58.31 56.75 1v86 n LYS 26 Cb 0.00 0.04 -0.14 0.00 -0.65 0.00 0.00 35.03 34.29 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 0.02 1.69 -0.23 0.58 -4.23 -0.91 -5.12 115.64 107.44 1v86 s THR 27 Ca 0.02 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 1v86 s THR 27 Cb 0.06 -1.49 0.06 0.00 1.34 0.00 0.00 72.50 72.46 1v86 s THR 27 CO -0.02 0.11 -0.05 -1.59 -0.54 0.00 0.00 174.62 172.54 1v86 s LYS 28 N -1.44 1.54 -0.35 3.99 -2.85 -1.26 -3.56 119.74 115.81 1v86 s LYS 28 Ca 0.07 -0.92 -0.03 0.00 -1.00 0.00 0.00 55.97 54.09 1v86 s LYS 28 Cb -0.09 -2.52 0.07 0.00 -2.06 0.00 0.00 37.83 33.23 1v86 s LYS 28 CO 0.03 -0.59 0.10 -1.01 0.10 0.00 0.00 175.35 173.97 1v86 s HIS 29 N 1.45 3.38 -0.28 1.78 3.76 -1.24 -4.92 115.29 119.21 1v86 s HIS 29 Ca -0.05 -1.97 -0.29 0.00 -0.15 0.00 0.00 55.06 52.60 1v86 s HIS 29 Cb -0.19 -2.56 -0.02 0.00 1.11 0.00 0.00 32.58 30.92 1v86 s HIS 29 CO -0.06 -0.85 1.66 0.16 -0.85 0.00 0.00 174.74 174.80 1v86 s ASP 30 N 1.51 6.20 -0.01 1.40 -4.77 -1.26 -3.23 116.67 116.52 1v86 s ASP 30 Ca 0.00 1.43 0.07 0.00 -3.30 0.00 0.00 52.55 50.75 1v86 s ASP 30 Cb -0.21 -2.53 -0.02 0.00 -1.09 0.00 0.00 42.92 39.07 1v86 s ASP 30 CO -0.01 -1.44 -0.21 0.68 0.70 0.00 0.00 175.17 174.89 1v86 s VAL 31 N 5.82 1.66 -0.32 2.11 -7.23 -1.22 -5.04 120.40 116.18 1v86 s VAL 31 Ca 0.73 -0.95 -0.10 0.00 -1.81 0.00 0.00 61.98 59.86 1v86 s VAL 31 Cb -0.23 -1.39 -0.00 0.00 0.56 0.00 0.00 36.38 35.32 1v86 s VAL 31 CO 0.31 0.43 0.16 -1.59 -0.31 0.00 0.00 175.10 174.10 1v86 s LYS 32 N -0.60 3.26 0.06 4.82 -2.85 -1.26 -2.99 119.74 120.18 1v86 s LYS 32 Ca 0.08 -0.77 0.03 0.00 -1.00 0.00 0.00 55.97 54.31 1v86 s LYS 32 Cb -0.08 -3.59 -0.03 0.00 -2.06 0.00 0.00 37.83 32.07 1v86 s LYS 32 CO -0.00 -0.46 -0.10 0.14 0.10 0.00 0.00 175.35 175.03 1v86 s VAL 33 N 1.60 0.76 0.45 1.79 -7.23 -1.05 -4.80 120.40 111.93 1v86 s VAL 33 Ca 0.04 -1.31 -0.22 0.00 -1.81 0.00 0.00 61.98 58.68 1v86 s VAL 33 Cb -0.17 -0.95 -0.09 0.00 0.56 0.00 0.00 36.38 35.73 1v86 s VAL 33 CO 0.06 -0.42 1.04 -2.16 -0.31 0.00 0.00 175.10 173.31 1v86 s PRO 34 N -2.05 3.94 0.14 4.82 0.04 -1.26 0.13 135.00 140.76 1v86 s PRO 34 Ca -0.03 1.42 0.24 0.00 0.04 0.00 0.00 61.00 62.67 1v86 s PRO 34 Cb -0.07 -2.26 0.91 0.00 0.04 0.00 0.00 34.50 33.12 1v86 s PRO 34 CO 0.00 -0.32 1.73 -0.11 0.04 0.00 0.00 177.00 178.34 1v86 n LEU 35 N -0.63 0.45 0.06 -3.56 7.94 -1.26 -2.17 117.00 117.84 1v86 n LEU 35 Ca 0.08 0.57 0.11 0.00 -1.11 0.00 0.00 56.01 55.66 1v86 n LEU 35 Cb 0.51 -0.47 0.45 0.00 0.53 0.00 0.00 43.42 44.44 1v86 n LEU 35 CO 0.42 -0.27 0.85 -0.90 -1.11 0.00 0.00 177.39 176.37 1v86 n ASP 36 N -1.96 0.39 -4.77 1.96 5.68 -1.26 -2.95 116.55 113.64 1v86 n ASP 36 Ca 0.04 0.57 -0.41 0.00 -0.50 0.00 0.00 54.79 54.49 1v86 n ASP 36 Cb 0.30 -0.66 -0.00 0.00 -1.14 0.00 0.00 41.12 39.62 1v86 n ASP 36 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1v86 n SER 37 N -1.90 3.70 -4.78 -1.12 7.64 -0.92 -4.87 113.62 111.37 1v86 n SER 37 Ca 0.04 1.22 -0.38 0.00 1.01 0.00 0.00 58.87 60.76 1v86 n SER 37 Cb 0.27 -1.61 -0.06 0.00 -1.01 0.00 0.00 64.21 61.81 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 -1.03 4.34 0.60 0.44 -4.23 -1.26 -2.30 115.64 112.19 1v86 s THR 38 Ca 0.54 1.69 0.30 0.00 -1.18 0.00 0.00 61.69 63.05 1v86 s THR 38 Cb -0.49 -4.08 0.43 0.00 1.34 0.00 0.00 72.50 69.70 1v86 s THR 38 CO 0.63 0.38 1.50 1.23 -0.54 0.00 0.00 174.62 177.82 1v86 h GLY 39 N 3.89 0.00 0.84 3.99 0.00 -1.47 1.47 103.07 111.79 1v86 h GLY 39 Ca -0.47 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.67 1v86 h GLY 39 CO 0.66 0.00 -0.80 0.23 0.00 0.00 0.00 176.54 176.63 1v86 h SER 40 N 0.00 0.58 -0.81 0.19 0.87 -1.83 -3.24 113.55 109.31 1v86 h SER 40 Ca 0.48 -0.84 0.14 0.00 -1.23 0.00 0.00 61.79 60.34 1v86 h SER 40 Cb 2.56 -0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 64.28 1v86 h SER 40 CO -0.01 1.36 0.53 -0.33 -0.53 0.00 0.00 176.83 177.86 1v86 h GLU 41 N -0.12 0.53 -0.91 2.24 5.08 0.17 -1.19 114.58 120.37 1v86 h GLU 41 Ca -0.12 -0.03 0.21 0.00 -1.00 0.00 0.00 59.36 58.41 1v86 h GLU 41 Cb 1.54 -0.12 -0.17 0.00 0.50 0.00 0.00 28.75 30.51 1v86 h GLU 41 CO 0.15 0.35 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.32 1v86 h LEU 42 N 0.54 -0.67 -0.09 1.33 3.38 -1.44 0.67 115.31 119.03 1v86 h LEU 42 Ca 0.40 0.26 0.01 0.00 0.09 0.00 0.00 57.88 58.65 1v86 h LEU 42 Cb 0.78 0.51 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 1v86 h LEU 42 CO -0.15 -0.30 -0.16 0.11 0.09 0.00 0.00 178.44 178.03 1v86 h LYS 43 N 0.02 -0.12 0.00 1.13 1.79 -1.39 1.23 116.57 119.22 1v86 h LYS 43 Ca 0.48 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.96 1v86 h LYS 43 Cb 0.83 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 1v86 h LYS 43 CO -0.89 -0.08 0.04 1.96 -1.08 0.00 0.00 179.45 179.39 1v86 h GLN 44 N -0.13 0.00 0.01 3.15 1.08 -1.09 1.04 115.11 119.17 1v86 h GLN 44 Ca 0.02 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.02 1v86 h GLN 44 Cb 0.18 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 1v86 h GLN 44 CO -0.15 0.00 -0.93 -0.22 -0.95 0.00 0.00 178.83 176.58 1v86 h LYS 45 N 0.00 0.03 0.06 1.46 1.63 0.56 -2.64 116.57 117.67 1v86 h LYS 45 Ca 0.00 -0.04 -0.33 0.00 -0.85 0.00 0.00 60.65 59.44 1v86 h LYS 45 Cb 0.08 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.69 1v86 h LYS 45 CO 0.00 0.93 -1.82 -0.89 -3.45 0.00 0.00 179.45 174.22 1v86 n ILE 46 N -3.47 1.64 0.16 2.00 5.41 0.37 -4.01 119.36 121.45 1v86 n ILE 46 Ca -0.01 -0.39 0.17 0.00 1.00 0.00 0.00 62.75 63.52 1v86 n ILE 46 Cb 0.87 -1.83 0.78 0.00 -0.71 0.00 0.00 39.64 38.74 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 -0.43 0.00 0.00 1.39 -0.00 0.80 1.28 115.15 118.19 1v86 h HIS 47 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.93 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 0.07 0.00 0.00 0.43 -0.00 0.00 0.00 177.93 178.43 1v86 n SER 48 N -3.98 0.40 0.01 3.26 7.64 -0.99 -1.56 113.62 118.39 1v86 n SER 48 Ca 0.03 0.58 -0.02 0.00 1.01 0.00 0.00 58.87 60.47 1v86 n SER 48 Cb 0.39 -0.67 -0.01 0.00 -1.01 0.00 0.00 64.21 62.91 1v86 n SER 48 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1v86 n ILE 49 N -1.91 1.20 -0.26 0.44 5.41 0.33 -4.68 119.36 119.89 1v86 n ILE 49 Ca 0.04 0.32 0.19 0.00 1.00 0.00 0.00 62.75 64.30 1v86 n ILE 49 Cb 0.27 -1.75 0.50 0.00 -0.71 0.00 0.00 39.64 37.95 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 0.66 0.00 1.39 1.35 0.99 -3.45 112.91 113.60 1v86 h THR 50 Ca 0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1v86 h THR 50 Cb 0.26 0.20 0.00 0.00 -1.73 0.00 0.00 68.15 66.88 1v86 h THR 50 CO 0.00 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 1v86 n GLY 51 N -1.50 2.58 3.94 5.82 0.00 -0.60 -5.01 105.19 110.42 1v86 n GLY 51 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 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 3.10 0.45 0.99 2.34 -1.26 -5.01 118.68 119.29 1v86 s LEU 52 Ca 0.00 0.37 -0.22 0.00 0.06 0.00 0.00 54.13 54.34 1v86 s LEU 52 Cb 0.00 -3.14 -0.09 0.00 -0.56 0.00 0.00 46.19 42.40 1v86 s LEU 52 CO 0.00 -1.28 1.04 -2.16 -1.06 0.00 0.00 176.35 172.90 1v86 s PRO 53 N -5.00 3.97 0.23 1.48 0.04 -1.26 -4.55 135.00 129.91 1v86 s PRO 53 Ca 0.57 1.44 0.10 0.00 0.04 0.00 0.00 61.00 63.14 1v86 s PRO 53 Cb -0.11 -2.30 0.19 0.00 0.04 0.00 0.00 34.50 32.32 1v86 s PRO 53 CO 0.42 -0.30 1.51 -1.00 0.04 0.00 0.00 177.00 177.68 1v86 h PRO 54 N 2.00 0.00 -0.40 0.56 0.13 -1.96 -3.03 132.00 129.31 1v86 h PRO 54 Ca -0.49 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.68 1v86 h PRO 54 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1v86 h PRO 54 CO 0.61 0.72 0.27 0.00 -0.23 0.00 0.00 178.00 179.36 1v86 h ALA 55 N 1.28 1.89 -0.78 -0.56 0.00 -2.00 0.23 119.26 119.32 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 1.31 -0.10 -0.24 0.00 0.00 0.00 0.00 17.79 18.76 1v86 h ALA 55 CO 0.09 0.05 0.40 -1.33 0.00 0.00 0.00 179.25 178.47 1v86 n MET 56 N -4.48 2.18 -4.19 0.00 2.81 -1.15 -4.97 117.12 107.32 1v86 n MET 56 Ca 0.04 -3.07 -0.23 0.00 -1.81 0.00 0.00 57.70 52.63 1v86 n MET 56 Cb 0.18 -2.06 -0.06 0.00 -0.71 0.00 0.00 33.22 30.57 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 -3.27 2.62 -0.42 0.03 -0.21 0.07 -4.54 119.66 113.94 1v86 s GLN 57 Ca 0.53 -1.17 0.02 0.00 0.02 0.00 0.00 55.36 54.76 1v86 s GLN 57 Cb 0.45 -2.40 0.13 0.00 1.00 0.00 0.00 33.01 32.19 1v86 s GLN 57 CO 0.07 0.40 0.21 0.15 -2.12 0.00 0.00 175.29 174.01 1v86 s LYS 58 N -3.58 1.28 -0.61 2.91 -0.14 -1.26 -4.96 119.74 113.38 1v86 s LYS 58 Ca 0.31 -1.93 -0.25 0.00 -1.36 0.00 0.00 55.97 52.75 1v86 s LYS 58 Cb -0.08 -2.43 0.04 0.00 -1.68 0.00 0.00 37.83 33.69 1v86 s LYS 58 CO 0.22 -1.12 1.04 0.08 -0.76 0.00 0.00 175.35 174.81 1v86 s VAL 59 N 0.50 4.21 -0.17 3.17 1.01 -1.26 -4.08 120.40 123.78 1v86 s VAL 59 Ca 0.16 0.25 -0.06 0.00 0.00 0.00 0.00 61.98 62.33 1v86 s VAL 59 Cb -0.23 -4.66 0.08 0.00 0.00 0.00 0.00 36.38 31.57 1v86 s VAL 59 CO -0.03 -1.34 0.36 -0.04 0.00 0.00 0.00 175.10 174.05 1v86 s MET 60 N 4.40 0.26 -0.31 2.72 1.00 -1.25 -4.08 119.30 122.05 1v86 s MET 60 Ca 0.31 0.92 0.01 0.00 0.00 0.00 0.00 55.69 56.93 1v86 s MET 60 Cb -0.12 0.18 0.09 0.00 0.00 0.00 0.00 34.83 34.99 1v86 s MET 60 CO 0.17 -0.26 0.06 -0.47 0.00 0.00 0.00 175.02 174.53 1v86 s TYR 61 N 2.45 2.48 -0.83 -0.03 5.04 -1.26 -3.05 117.35 122.15 1v86 s TYR 61 Ca -0.01 -2.15 0.00 0.00 -2.44 0.00 0.00 57.07 52.46 1v86 s TYR 61 Cb -0.12 -2.10 0.00 0.00 0.35 0.00 0.00 41.96 40.09 1v86 s TYR 61 CO -0.11 -0.88 0.00 1.63 -1.34 0.00 0.00 175.55 174.84 1v86 n LYS 62 N 4.63 -1.84 0.00 4.97 5.02 -1.26 -4.68 118.16 125.00 1v86 n LYS 62 Ca -0.01 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1v86 n LYS 62 Cb 0.42 -4.83 0.00 0.00 -0.02 0.00 0.00 35.03 30.60 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 -0.44 3.93 3.67 0.72 0.00 -1.26 -5.12 105.19 106.69 1v86 n GLY 63 Ca -0.09 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 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 3.28 -4.39 0.99 7.99 -1.26 -4.69 117.00 118.92 1v86 n LEU 64 Ca 0.00 1.17 -0.40 0.00 -0.01 0.00 0.00 56.01 56.77 1v86 n LEU 64 Cb 0.00 -1.44 -0.11 0.00 -0.11 0.00 0.00 43.42 41.75 1v86 n LEU 64 CO 0.00 -0.76 -0.18 -0.69 -1.51 0.00 0.00 177.39 174.25 1v86 s VAL 65 N -1.13 4.51 -0.45 4.08 1.01 -1.26 -4.87 120.40 122.29 1v86 s VAL 65 Ca 0.58 -0.76 -0.28 0.00 0.00 0.00 0.00 61.98 61.52 1v86 s VAL 65 Cb -0.57 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.36 1v86 s VAL 65 CO 0.61 -0.14 1.43 -2.16 0.00 0.00 0.00 175.10 174.84 1v86 s PRO 66 N 1.56 3.48 0.36 2.72 0.04 -1.26 -4.85 135.00 137.05 1v86 s PRO 66 Ca 0.02 0.83 0.25 0.00 0.04 0.00 0.00 61.00 62.15 1v86 s PRO 66 Cb -0.19 -4.06 1.30 0.00 0.04 0.00 0.00 34.50 31.60 1v86 s PRO 66 CO 0.06 -1.69 1.78 0.93 0.04 0.00 0.00 177.00 178.12 1v86 h GLU 67 N 10.95 0.00 0.00 4.56 5.08 -1.96 0.25 114.58 133.46 1v86 h GLU 67 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1v86 h GLU 67 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1v86 h GLU 67 CO 1.11 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 178.87 1v86 n ASP 68 N -2.40 0.00 -4.16 1.42 8.00 -1.26 -3.66 116.55 114.49 1v86 n ASP 68 Ca -0.01 0.48 -0.21 0.00 0.71 0.00 0.00 54.79 55.77 1v86 n ASP 68 Cb 0.09 -0.49 -0.13 0.00 -0.02 0.00 0.00 41.12 40.56 1v86 n ASP 68 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1v86 s LYS 69 N -2.99 1.00 0.78 -1.24 -0.14 0.89 -4.98 119.74 113.06 1v86 s LYS 69 Ca 0.13 -0.79 -0.12 0.00 -1.36 0.00 0.00 55.97 53.83 1v86 s LYS 69 Cb 0.17 -1.03 0.06 0.00 -1.68 0.00 0.00 37.83 35.36 1v86 s LYS 69 CO 0.47 0.25 1.11 0.95 -0.76 0.00 0.00 175.35 177.38 1v86 s THR 70 N -0.85 2.99 0.12 2.17 -4.23 -1.26 -1.77 115.64 112.80 1v86 s THR 70 Ca 0.02 0.32 -0.32 0.00 -1.18 0.00 0.00 61.69 60.54 1v86 s THR 70 Cb -0.08 -3.16 -0.10 0.00 1.34 0.00 0.00 72.50 70.51 1v86 s THR 70 CO 0.01 -0.42 1.57 -0.07 -0.54 0.00 0.00 174.62 175.18 1v86 h LEU 71 N -1.00 -1.46 -1.86 4.79 3.38 -1.57 1.71 115.31 119.30 1v86 h LEU 71 Ca -0.47 0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.69 1v86 h LEU 71 Cb 1.28 0.57 -0.00 0.00 0.09 0.00 0.00 40.66 42.59 1v86 h LEU 71 CO 0.61 -0.48 0.39 -0.09 0.09 0.00 0.00 178.44 178.97 1v86 h ARG 72 N -0.59 0.00 0.04 1.13 2.43 -1.74 0.56 114.38 116.21 1v86 h ARG 72 Ca 0.04 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.87 1v86 h ARG 72 Cb 0.68 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.18 1v86 h ARG 72 CO -0.36 0.00 -2.03 0.39 -1.51 0.00 0.00 179.97 176.45 1v86 n GLU 73 N -2.94 0.68 0.00 0.20 1.02 0.22 -3.88 120.64 115.94 1v86 n GLU 73 Ca -0.01 0.21 0.15 0.00 -0.02 0.00 0.00 57.16 57.49 1v86 n GLU 73 Cb 0.45 -1.68 0.88 0.00 -0.02 0.00 0.00 31.44 31.07 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 -3.15 0.00 -1.19 -3.67 -6.64 0.52 -4.88 119.36 100.35 1v86 n ILE 74 Ca -0.28 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.70 1v86 n ILE 74 Cb 1.06 -0.46 0.00 0.00 -1.44 0.00 0.00 39.64 38.80 1v86 n ILE 74 CO 0.00 0.00 0.00 1.17 -1.77 0.00 0.00 176.55 175.95 1v86 n LYS 75 N -0.96 0.00 -4.41 6.28 4.81 0.64 -5.02 118.16 119.49 1v86 n LYS 75 Ca 0.22 0.40 -0.21 0.00 -0.87 0.00 0.00 58.31 57.85 1v86 n LYS 75 Cb 0.10 -1.19 -0.13 0.00 0.02 0.00 0.00 35.03 33.82 1v86 n LYS 75 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1v86 s VAL 76 N -2.65 1.26 0.09 3.15 1.01 -0.45 -4.96 120.40 117.86 1v86 s VAL 76 Ca 0.00 -1.08 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 1v86 s VAL 76 Cb 0.00 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.26 1v86 s VAL 76 CO 0.00 0.04 0.16 0.35 0.00 0.00 0.00 175.10 175.65 1v86 n THR 77 N 1.83 0.00 -2.05 3.92 -2.24 -1.26 -4.40 114.28 110.08 1v86 n THR 77 Ca -0.18 -0.33 -0.43 0.00 -2.27 0.00 0.00 64.05 60.84 1v86 n THR 77 Cb 0.54 0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 69.00 1v86 n THR 77 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1v86 s SER 78 N -1.52 5.94 0.00 3.42 0.01 -1.26 -2.46 113.70 117.83 1v86 s SER 78 Ca 0.05 1.22 0.00 0.00 1.31 0.00 0.00 55.95 58.53 1v86 s SER 78 Cb -0.01 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1v86 s SER 78 CO 0.04 -1.69 0.00 0.61 0.41 0.00 0.00 173.24 172.61 1v86 n GLY 79 N 5.38 1.86 3.90 3.44 0.00 -1.09 -4.96 105.19 113.72 1v86 n GLY 79 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 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 3.20 0.14 4.61 0.00 -1.03 -4.99 121.76 121.69 1v86 s ALA 80 Ca 0.00 -0.53 0.07 0.00 0.00 0.00 0.00 51.96 51.50 1v86 s ALA 80 Cb 0.00 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.33 1v86 s ALA 80 CO 0.00 -0.82 -0.17 0.21 0.00 0.00 0.00 175.76 174.99 1v86 s LYS 81 N -5.07 1.15 -0.11 0.00 2.47 -1.26 -2.36 119.74 114.57 1v86 s LYS 81 Ca 0.54 -1.30 -0.03 0.00 -1.56 0.00 0.00 55.97 53.62 1v86 s LYS 81 Cb -0.11 -1.16 0.04 0.00 -1.46 0.00 0.00 37.83 35.14 1v86 s LYS 81 CO 0.48 0.24 0.05 0.42 0.16 0.00 0.00 175.35 176.69 1v86 s ILE 82 N -1.95 0.13 0.00 5.43 -1.09 -0.72 -4.66 121.20 118.34 1v86 s ILE 82 Ca 0.12 0.04 -0.21 0.00 -2.23 0.00 0.00 60.65 58.36 1v86 s ILE 82 Cb -0.06 -0.50 -0.05 0.00 -1.58 0.00 0.00 42.46 40.27 1v86 s ILE 82 CO 0.05 0.02 0.63 -0.32 -1.23 0.00 0.00 174.94 174.09 1v86 s MET 83 N 2.06 4.35 0.17 2.79 1.75 -1.17 -0.47 119.30 128.78 1v86 s MET 83 Ca 0.03 0.80 0.06 0.00 -1.25 0.00 0.00 55.69 55.33 1v86 s MET 83 Cb -0.14 -3.35 -0.04 0.00 2.84 0.00 0.00 34.83 34.14 1v86 s MET 83 CO -0.06 0.35 -0.13 0.08 -0.65 0.00 0.00 175.02 174.61 1v86 s VAL 84 N -0.16 1.47 0.16 10.11 1.01 -0.07 -3.78 120.40 129.13 1v86 s VAL 84 Ca 0.32 -2.05 -0.05 0.00 0.00 0.00 0.00 61.98 60.20 1v86 s VAL 84 Cb -0.19 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1v86 s VAL 84 CO 0.18 -0.60 0.17 0.54 0.00 0.00 0.00 175.10 175.40 1v86 s VAL 85 N -2.89 0.07 0.00 2.92 0.11 -1.26 -4.38 120.40 114.97 1v86 s VAL 85 Ca 0.18 -1.69 0.00 0.00 -2.93 0.00 0.00 61.98 57.54 1v86 s VAL 85 Cb -0.01 -2.02 0.00 0.00 -1.53 0.00 0.00 36.38 32.82 1v86 s VAL 85 CO 0.04 -0.33 0.00 0.61 -3.33 0.00 0.00 175.10 172.09 1v86 n GLY 86 N -0.17 -1.88 1.48 6.54 0.00 -1.26 -4.53 105.19 105.36 1v86 n GLY 86 Ca -0.05 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.80 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 0.00 -1.43 1.61 2.88 -1.26 -4.96 113.62 110.45 1v86 n SER 87 Ca 0.00 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.70 1v86 n SER 87 Cb 0.00 0.37 -0.09 0.00 -0.75 0.00 0.00 64.21 63.74 1v86 n SER 87 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1v86 n THR 88 N -2.21 -1.09 -0.73 2.46 5.66 -1.26 -4.84 114.28 112.28 1v86 n THR 88 Ca 0.00 0.99 -0.33 0.00 -3.05 0.00 0.00 64.05 61.66 1v86 n THR 88 Cb 0.00 -1.50 0.15 0.00 -1.55 0.00 0.00 70.33 67.43 1v86 n THR 88 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1v86 n ILE 89 N -4.19 0.00 0.03 1.09 3.06 -1.26 -4.88 119.36 113.21 1v86 n ILE 89 Ca -0.09 -0.26 -0.10 0.00 -2.50 0.00 0.00 62.75 59.80 1v86 n ILE 89 Cb 0.66 -0.56 -0.06 0.00 0.54 0.00 0.00 39.64 40.22 1v86 n ILE 89 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 1v86 h SER 90 N -1.87 -1.04 0.00 9.51 0.02 -2.02 -3.48 113.55 114.67 1v86 h SER 90 Ca -0.50 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1v86 h SER 90 Cb 1.34 0.39 0.00 0.00 0.14 0.00 0.00 62.40 64.28 1v86 h SER 90 CO 0.36 -0.33 0.00 0.61 -1.14 0.00 0.00 176.83 176.33 1v86 n GLY 91 N -1.29 1.59 2.34 -3.77 0.00 -1.26 -4.99 105.19 97.82 1v86 n GLY 91 Ca -0.05 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 1v86 n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v86 n PRO 92 N 0.00 2.28 -4.05 1.61 -0.04 -1.26 -4.86 135.00 128.69 1v86 n PRO 92 Ca 0.00 -1.38 -0.22 0.00 -0.04 0.00 0.00 63.50 61.86 1v86 n PRO 92 Cb 0.00 -2.32 -0.04 0.00 -0.04 0.00 0.00 33.50 31.11 1v86 n PRO 92 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1v86 s SER 93 N 2.63 5.86 0.46 3.54 0.15 -1.26 -5.12 113.70 119.96 1v86 s SER 93 Ca 0.52 -0.10 0.02 0.00 0.70 0.00 0.00 55.95 57.09 1v86 s SER 93 Cb 0.18 -1.60 0.01 0.00 -1.71 0.00 0.00 66.02 62.89 1v86 s SER 93 CO -0.03 -0.03 0.67 -0.55 1.20 0.00 0.00 173.24 174.50 1v86 s SER 94 N -3.76 5.66 0.00 5.45 0.15 -1.26 -5.27 113.70 114.66 1v86 s SER 94 Ca 0.33 0.07 0.00 0.00 0.70 0.00 0.00 55.95 57.05 1v86 s SER 94 Cb -0.09 -1.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.01 1v86 s SER 94 CO 0.26 -0.81 0.00 0.61 1.20 0.00 0.00 173.24 174.50