#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 -0.25 0.13 1.61 0.01 -1.26 -5.18 113.70 108.76 1v86 s SER 2 Ca 0.00 -0.44 -0.26 0.00 1.31 0.00 0.00 55.95 56.57 1v86 s SER 2 Cb 0.00 0.54 0.07 0.00 0.21 0.00 0.00 66.02 66.84 1v86 s SER 2 CO 0.00 -0.98 0.97 -0.94 0.41 0.00 0.00 173.24 172.70 1v86 s SER 3 N -2.85 -0.18 0.29 2.44 1.04 -1.26 -5.19 113.70 107.99 1v86 s SER 3 Ca 0.08 -0.35 0.05 0.00 0.48 0.00 0.00 55.95 56.20 1v86 s SER 3 Cb 0.00 0.46 -0.06 0.00 0.10 0.00 0.00 66.02 66.52 1v86 s SER 3 CO -0.06 -0.84 0.01 -0.83 0.98 0.00 0.00 173.24 172.50 1v86 s GLY 4 N -2.91 1.89 -0.30 7.32 0.00 -1.26 -5.13 107.32 106.94 1v86 s GLY 4 Ca 0.12 -1.95 -0.13 0.00 0.00 0.00 0.00 44.72 42.75 1v86 s GLY 4 CO 0.01 -1.80 1.10 -1.35 0.00 0.00 0.00 173.10 171.06 1v86 s SER 5 N -3.44 -0.29 0.13 1.64 1.04 -1.26 -5.18 113.70 106.34 1v86 s SER 5 Ca 0.32 0.05 0.04 0.00 0.48 0.00 0.00 55.95 56.85 1v86 s SER 5 Cb 0.06 1.19 -0.04 0.00 0.10 0.00 0.00 66.02 67.34 1v86 s SER 5 CO 0.13 -0.05 -0.10 -0.55 0.98 0.00 0.00 173.24 173.65 1v86 s SER 6 N 2.97 1.66 0.11 7.02 0.15 -1.26 -5.17 113.70 119.19 1v86 s SER 6 Ca 0.24 -0.95 0.00 0.00 0.70 0.00 0.00 55.95 55.94 1v86 s SER 6 Cb -0.02 0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 1v86 s SER 6 CO -0.21 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.53 1v86 n GLY 7 N 0.05 1.50 3.06 9.45 0.00 -1.26 -5.14 105.19 112.85 1v86 n GLY 7 Ca -0.12 -2.05 -0.12 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.00 -0.26 -0.11 1.61 2.15 -1.26 -5.12 116.67 112.68 1v86 s ASP 8 Ca 0.00 0.52 -0.30 0.00 0.43 0.00 0.00 52.55 53.20 1v86 s ASP 8 Cb 0.00 0.42 -0.03 0.00 -0.30 0.00 0.00 42.92 43.01 1v86 s ASP 8 CO 0.00 -0.15 1.26 0.00 -0.17 0.00 0.00 175.17 176.11 1v86 s ALA 9 N 1.11 3.59 0.00 3.66 0.00 -1.26 -4.98 121.76 123.89 1v86 s ALA 9 Ca -0.08 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1v86 s ALA 9 Cb -0.09 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1v86 s ALA 9 CO -0.07 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.09 1v86 n GLY 10 N 3.54 3.54 3.04 0.00 0.00 -1.26 -5.16 105.19 108.90 1v86 n GLY 10 Ca 0.13 -1.49 -0.20 0.00 0.00 0.00 0.00 46.02 44.46 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 0.00 -2.49 0.00 -0.02 0.00 -1.26 -5.05 105.19 96.37 1v86 n GLY 11 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 2.43 5.44 3.46 -0.02 0.00 -1.26 -5.17 105.19 110.07 1v86 n GLY 12 Ca 0.05 -1.82 0.01 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.67 -0.45 0.00 1.61 0.11 -1.26 -5.09 120.40 114.65 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 0.96 0.61 -3.33 0.00 0.00 175.10 173.34 1v86 n GLY 14 N 4.80 -2.37 0.00 6.54 0.00 -1.26 -4.96 105.19 107.94 1v86 n GLY 14 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1v86 n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1v86 n LYS 15 N -1.99 2.86 -4.14 1.61 4.76 -1.26 -5.17 118.16 114.82 1v86 n LYS 15 Ca 0.00 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 1v86 n LYS 15 Cb 0.00 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.08 1v86 n LYS 15 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1v86 s GLU 16 N 1.75 0.76 0.43 1.97 2.02 -1.26 -5.12 118.70 119.25 1v86 s GLU 16 Ca 0.00 -1.07 -0.20 0.00 0.02 0.00 0.00 54.97 53.71 1v86 s GLU 16 Cb 0.00 -0.42 -0.15 0.00 0.10 0.00 0.00 34.13 33.66 1v86 s GLU 16 CO 0.00 0.06 0.07 1.28 0.02 0.00 0.00 175.26 176.69 1v86 n LEU 17 N 0.72 -2.83 -4.88 1.80 7.99 -1.26 -4.87 117.00 113.68 1v86 n LEU 17 Ca -0.17 0.78 -0.31 0.00 -0.01 0.00 0.00 56.01 56.29 1v86 n LEU 17 Cb 0.57 -0.89 -0.05 0.00 -0.11 0.00 0.00 43.42 42.94 1v86 n LEU 17 CO 0.25 -4.25 0.18 0.54 -1.51 0.00 0.00 177.39 172.61 1v86 s VAL 18 N -1.75 4.98 -0.03 4.08 0.11 0.49 -4.74 120.40 123.55 1v86 s VAL 18 Ca 0.59 0.34 -0.25 0.00 -2.93 0.00 0.00 61.98 59.73 1v86 s VAL 18 Cb -0.60 -3.63 -0.04 0.00 -1.53 0.00 0.00 36.38 30.58 1v86 s VAL 18 CO 0.63 -0.09 0.77 -1.81 -3.33 0.00 0.00 175.10 171.27 1v86 s ASP 19 N -2.49 7.12 0.00 3.54 1.11 -1.26 -2.54 116.67 122.15 1v86 s ASP 19 Ca 0.46 1.34 -0.07 0.00 0.18 0.00 0.00 52.55 54.46 1v86 s ASP 19 Cb -0.11 -2.46 0.00 0.00 1.07 0.00 0.00 42.92 41.42 1v86 s ASP 19 CO 0.23 -0.11 0.14 -0.76 1.18 0.00 0.00 175.17 175.85 1v86 s LEU 20 N 0.64 1.55 -0.20 1.23 1.43 -1.23 0.18 118.68 122.28 1v86 s LEU 20 Ca 0.41 -0.19 -0.09 0.00 -1.03 0.00 0.00 54.13 53.22 1v86 s LEU 20 Cb -0.19 0.67 -0.05 0.00 0.03 0.00 0.00 46.19 46.65 1v86 s LEU 20 CO 0.21 -0.36 0.11 -0.54 0.23 0.00 0.00 176.35 176.00 1v86 s LYS 21 N -1.34 4.08 -1.02 1.70 1.02 -0.97 -3.59 119.74 119.63 1v86 s LYS 21 Ca -0.14 -0.28 -0.16 0.00 0.02 0.00 0.00 55.97 55.41 1v86 s LYS 21 Cb -0.07 -3.36 0.17 0.00 -0.52 0.00 0.00 37.83 34.04 1v86 s LYS 21 CO 0.02 0.24 1.18 0.42 -0.92 0.00 0.00 175.35 176.28 1v86 s ILE 22 N 0.50 5.05 0.07 2.17 -1.09 -1.18 -1.84 121.20 124.88 1v86 s ILE 22 Ca 0.06 -2.19 -0.30 0.00 -2.23 0.00 0.00 60.65 55.99 1v86 s ILE 22 Cb -0.12 -4.77 -0.05 0.00 -1.58 0.00 0.00 42.46 35.94 1v86 s ILE 22 CO -0.00 -1.45 0.99 -0.63 -1.23 0.00 0.00 174.94 172.61 1v86 s ILE 23 N 1.67 4.57 -0.30 2.92 -1.09 0.13 -3.38 121.20 125.71 1v86 s ILE 23 Ca 0.34 2.01 -0.13 0.00 -2.23 0.00 0.00 60.65 60.63 1v86 s ILE 23 Cb -0.05 -4.28 0.17 0.00 -1.58 0.00 0.00 42.46 36.72 1v86 s ILE 23 CO -0.06 0.25 0.97 0.86 -1.23 0.00 0.00 174.94 175.73 1v86 s TRP 24 N 0.40 -0.72 0.00 3.97 -0.00 -1.23 -1.10 118.94 120.26 1v86 s TRP 24 Ca 0.50 1.03 0.00 0.00 -0.00 0.00 0.00 56.10 57.63 1v86 s TRP 24 Cb -0.23 0.35 0.00 0.00 -0.00 0.00 0.00 33.47 33.59 1v86 s TRP 24 CO 0.29 -0.37 0.00 0.09 -0.00 0.00 0.00 176.95 176.96 1v86 n ASN 25 N 5.17 0.00 -1.35 5.86 3.02 -1.26 -1.60 115.26 125.11 1v86 n ASN 25 Ca -0.08 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.47 1v86 n ASN 25 Cb 0.53 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.71 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 0.16 -4.47 3.52 4.76 -1.26 -5.16 118.16 115.71 1v86 n LYS 26 Ca 0.00 -0.19 -0.24 0.00 -2.87 0.00 0.00 58.31 55.01 1v86 n LYS 26 Cb 0.00 0.21 -0.10 0.00 -1.84 0.00 0.00 35.03 33.29 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 0.01 2.37 -0.27 -0.18 -4.23 -0.63 -5.12 115.64 107.60 1v86 s THR 27 Ca 0.01 -2.36 -0.03 0.00 -1.18 0.00 0.00 61.69 58.13 1v86 s THR 27 Cb 0.05 -2.33 0.09 0.00 1.34 0.00 0.00 72.50 71.65 1v86 s THR 27 CO -0.01 -0.39 0.09 -0.54 -0.54 0.00 0.00 174.62 173.23 1v86 s LYS 28 N -3.54 0.47 -0.42 3.99 1.02 -1.26 -3.55 119.74 116.46 1v86 s LYS 28 Ca 0.30 -0.66 -0.10 0.00 0.02 0.00 0.00 55.97 55.52 1v86 s LYS 28 Cb -0.04 -1.73 0.07 0.00 -0.52 0.00 0.00 37.83 35.61 1v86 s LYS 28 CO 0.14 -0.89 0.27 -1.01 -0.92 0.00 0.00 175.35 172.94 1v86 s HIS 29 N 1.87 3.31 -0.09 3.18 3.76 -1.22 -4.91 115.29 121.20 1v86 s HIS 29 Ca 0.06 -1.36 -0.30 0.00 -0.15 0.00 0.00 55.06 53.32 1v86 s HIS 29 Cb -0.17 -2.89 -0.04 0.00 1.11 0.00 0.00 32.58 30.59 1v86 s HIS 29 CO -0.24 -0.81 1.53 0.34 -0.85 0.00 0.00 174.74 174.72 1v86 s ASP 30 N 2.07 6.75 -0.00 1.40 -1.08 -1.26 -3.11 116.67 121.45 1v86 s ASP 30 Ca 0.03 2.06 0.02 0.00 -0.52 0.00 0.00 52.55 54.14 1v86 s ASP 30 Cb -0.22 -2.53 -0.00 0.00 -1.46 0.00 0.00 42.92 38.70 1v86 s ASP 30 CO 0.03 -0.88 -0.05 0.68 0.52 0.00 0.00 175.17 175.48 1v86 s VAL 31 N 3.88 0.40 -0.32 1.11 -7.23 -1.24 -5.05 120.40 111.95 1v86 s VAL 31 Ca 0.68 -0.22 -0.10 0.00 -1.81 0.00 0.00 61.98 60.53 1v86 s VAL 31 Cb -0.30 -0.34 -0.00 0.00 0.56 0.00 0.00 36.38 36.30 1v86 s VAL 31 CO 0.25 0.11 0.16 -1.59 -0.31 0.00 0.00 175.10 173.72 1v86 s LYS 32 N -0.13 3.26 0.10 4.82 -2.85 -1.26 -3.47 119.74 120.21 1v86 s LYS 32 Ca 0.02 -0.77 0.06 0.00 -1.00 0.00 0.00 55.97 54.28 1v86 s LYS 32 Cb -0.02 -3.59 -0.03 0.00 -2.06 0.00 0.00 37.83 32.13 1v86 s LYS 32 CO -0.00 -0.46 -0.16 0.14 0.10 0.00 0.00 175.35 174.97 1v86 s VAL 33 N 1.60 1.39 0.57 1.79 -7.23 -1.05 -4.84 120.40 112.63 1v86 s VAL 33 Ca 0.04 -1.53 -0.17 0.00 -1.81 0.00 0.00 61.98 58.52 1v86 s VAL 33 Cb -0.17 -1.39 -0.05 0.00 0.56 0.00 0.00 36.38 35.33 1v86 s VAL 33 CO 0.06 -0.24 1.05 -2.16 -0.31 0.00 0.00 175.10 173.50 1v86 s PRO 34 N -2.12 3.47 0.00 4.82 0.04 -1.26 0.19 135.00 140.14 1v86 s PRO 34 Ca 0.05 1.20 0.31 0.00 0.04 0.00 0.00 61.00 62.60 1v86 s PRO 34 Cb -0.08 -2.05 1.72 0.00 0.04 0.00 0.00 34.50 34.12 1v86 s PRO 34 CO 0.03 -0.69 2.14 -0.11 0.04 0.00 0.00 177.00 178.42 1v86 n LEU 35 N -1.80 0.00 0.15 -3.56 7.94 -1.26 -2.73 117.00 115.74 1v86 n LEU 35 Ca 0.09 0.14 0.05 0.00 -1.11 0.00 0.00 56.01 55.17 1v86 n LEU 35 Cb 0.53 -0.14 0.05 0.00 0.53 0.00 0.00 43.42 44.39 1v86 n LEU 35 CO 0.46 -0.00 0.50 -0.78 -1.11 0.00 0.00 177.39 176.46 1v86 h ASP 36 N 0.00 0.00 -1.95 1.96 3.58 -1.99 -2.97 116.42 115.05 1v86 h ASP 36 Ca 0.00 0.00 -0.64 0.00 0.42 0.00 0.00 57.03 56.81 1v86 h ASP 36 Cb 0.13 0.00 0.05 0.00 1.72 0.00 0.00 39.33 41.23 1v86 h ASP 36 CO 0.00 0.39 0.71 -1.20 -2.88 0.00 0.00 179.24 176.26 1v86 n SER 37 N -3.17 2.52 -4.77 2.28 7.64 -1.11 -4.79 113.62 112.22 1v86 n SER 37 Ca 0.02 1.08 -0.39 0.00 1.01 0.00 0.00 58.87 60.59 1v86 n SER 37 Cb 0.69 -1.30 -0.02 0.00 -1.01 0.00 0.00 64.21 62.57 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 1.39 3.17 0.54 0.44 -4.23 -1.26 -2.35 115.64 113.34 1v86 s THR 38 Ca 0.85 1.02 0.49 0.00 -1.18 0.00 0.00 61.69 62.87 1v86 s THR 38 Cb -0.82 -3.59 0.72 0.00 1.34 0.00 0.00 72.50 70.14 1v86 s THR 38 CO 0.46 0.13 1.52 0.61 -0.54 0.00 0.00 174.62 176.79 1v86 n GLY 39 N 0.71 -0.96 0.08 3.99 0.00 0.20 0.19 105.19 109.40 1v86 n GLY 39 Ca 0.03 0.68 -0.15 0.00 0.00 0.00 0.00 46.02 46.58 1v86 n GLY 39 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1v86 h SER 40 N 0.00 0.11 -1.29 1.61 0.87 -1.78 -3.26 113.55 109.81 1v86 h SER 40 Ca 0.92 -0.89 0.44 0.00 -1.23 0.00 0.00 61.79 61.03 1v86 h SER 40 Cb 3.67 -0.04 -0.14 0.00 -0.44 0.00 0.00 62.40 65.46 1v86 h SER 40 CO -0.02 0.99 0.82 -0.33 -0.53 0.00 0.00 176.83 177.76 1v86 h GLU 41 N -0.74 0.07 -0.99 2.24 5.08 0.17 0.60 114.58 121.01 1v86 h GLU 41 Ca -0.02 -0.00 0.27 0.00 -1.00 0.00 0.00 59.36 58.60 1v86 h GLU 41 Cb 1.03 -0.02 -0.18 0.00 0.50 0.00 0.00 28.75 30.08 1v86 h GLU 41 CO 0.03 0.05 0.02 -0.07 -1.00 0.00 0.00 179.01 178.04 1v86 h LEU 42 N 0.07 -0.49 -0.07 1.33 3.38 -1.52 0.39 115.31 118.41 1v86 h LEU 42 Ca 0.83 0.28 0.01 0.00 0.09 0.00 0.00 57.88 59.09 1v86 h LEU 42 Cb 2.55 0.49 -0.02 0.00 0.09 0.00 0.00 40.66 43.77 1v86 h LEU 42 CO -0.47 -0.35 -0.15 0.11 0.09 0.00 0.00 178.44 177.67 1v86 h LYS 43 N 0.01 -0.14 0.00 1.13 1.79 -0.01 1.06 116.57 120.41 1v86 h LYS 43 Ca 0.60 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.07 1v86 h LYS 43 Cb 1.22 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1v86 h LYS 43 CO -0.92 -0.09 0.10 1.96 -1.08 0.00 0.00 179.45 179.41 1v86 h GLN 44 N -0.14 0.00 0.00 3.15 1.08 -0.90 0.80 115.11 119.10 1v86 h GLN 44 Ca 0.01 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 -0.03 0.00 -0.05 0.00 0.00 27.48 27.58 1v86 h GLN 44 CO -0.14 0.00 -0.93 -0.22 -0.95 0.00 0.00 178.83 176.59 1v86 h LYS 45 N 0.00 0.00 0.04 1.46 1.63 0.39 -2.79 116.57 117.31 1v86 h LYS 45 Ca 0.00 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.52 1v86 h LYS 45 Cb 0.19 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.79 1v86 h LYS 45 CO 0.00 0.93 -1.51 0.82 -3.45 0.00 0.00 179.45 176.24 1v86 h ILE 46 N 0.00 0.82 -0.11 2.00 2.04 0.56 -3.34 117.51 119.47 1v86 h ILE 46 Ca -0.01 -2.24 0.03 0.00 1.00 0.00 0.00 64.86 63.65 1v86 h ILE 46 Cb 1.66 2.32 -0.00 0.00 -0.74 0.00 0.00 36.82 40.05 1v86 h ILE 46 CO 0.12 0.51 0.24 -0.74 0.00 0.00 0.00 178.15 178.28 1v86 h HIS 47 N -0.63 0.00 0.00 1.37 -0.00 0.22 1.74 115.15 117.84 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 1.56 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.97 1v86 h HIS 47 CO 0.09 0.00 0.00 1.03 -0.00 0.00 0.00 177.93 179.05 1v86 h SER 48 N 0.00 0.00 0.00 3.26 0.87 -1.61 -1.88 113.55 114.19 1v86 h SER 48 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1v86 h SER 48 Cb 0.53 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1v86 h SER 48 CO -0.00 0.00 -0.26 -0.38 -0.53 0.00 0.00 176.83 175.66 1v86 n ILE 49 N -2.48 1.20 0.09 2.23 5.41 0.39 -4.68 119.36 121.52 1v86 n ILE 49 Ca 0.04 0.32 0.11 0.00 1.00 0.00 0.00 62.75 64.22 1v86 n ILE 49 Cb 0.40 -1.75 0.59 0.00 -0.71 0.00 0.00 39.64 38.18 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 0.92 0.00 1.39 1.35 0.18 -3.45 112.91 113.05 1v86 h THR 50 Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1v86 h THR 50 Cb 0.26 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 1v86 h THR 50 CO 0.00 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 1v86 n GLY 51 N -1.55 0.39 3.97 5.82 0.00 -0.71 -4.88 105.19 108.22 1v86 n GLY 51 Ca 0.04 0.00 -0.22 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 3.46 0.44 0.99 2.34 -1.26 -4.46 118.68 120.19 1v86 s LEU 52 Ca 0.00 0.09 -0.22 0.00 0.06 0.00 0.00 54.13 54.05 1v86 s LEU 52 Cb 0.00 -2.98 -0.09 0.00 -0.56 0.00 0.00 46.19 42.57 1v86 s LEU 52 CO 0.00 -0.93 1.05 -2.16 -1.06 0.00 0.00 176.35 173.25 1v86 s PRO 53 N -4.64 4.00 0.21 1.48 0.04 -1.26 -4.48 135.00 130.34 1v86 s PRO 53 Ca 0.53 1.45 0.07 0.00 0.04 0.00 0.00 61.00 63.09 1v86 s PRO 53 Cb -0.10 -2.34 0.13 0.00 0.04 0.00 0.00 34.50 32.23 1v86 s PRO 53 CO 0.38 -0.28 1.48 -1.00 0.04 0.00 0.00 177.00 177.62 1v86 h PRO 54 N 2.07 0.06 -0.32 0.56 0.13 -1.96 -3.03 132.00 129.51 1v86 h PRO 54 Ca -0.49 -0.06 0.06 0.00 -0.87 0.00 0.00 66.00 64.64 1v86 h PRO 54 Cb 1.22 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1v86 h PRO 54 CO 0.61 0.80 0.22 0.00 -0.23 0.00 0.00 178.00 179.40 1v86 h ALA 55 N 1.18 2.06 -0.75 -0.56 0.00 -2.00 0.05 119.26 119.24 1v86 h ALA 55 Ca -0.02 -0.01 -0.46 0.00 0.00 0.00 0.00 54.91 54.42 1v86 h ALA 55 Cb 1.35 -0.04 -0.26 0.00 0.00 0.00 0.00 17.79 18.84 1v86 h ALA 55 CO 0.11 -0.13 0.25 -1.33 0.00 0.00 0.00 179.25 178.15 1v86 n MET 56 N -4.48 2.44 -4.21 0.00 2.81 -1.15 -4.98 117.12 107.55 1v86 n MET 56 Ca 0.04 -3.32 -0.26 0.00 -1.81 0.00 0.00 57.70 52.35 1v86 n MET 56 Cb 0.26 -2.11 -0.07 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 -3.48 2.41 -0.43 0.03 -0.21 0.00 -3.36 119.66 114.63 1v86 s GLN 57 Ca 0.54 -1.15 0.02 0.00 0.02 0.00 0.00 55.36 54.79 1v86 s GLN 57 Cb 0.45 -2.34 0.13 0.00 1.00 0.00 0.00 33.01 32.25 1v86 s GLN 57 CO 0.03 0.44 0.21 0.21 -2.12 0.00 0.00 175.29 174.06 1v86 s LYS 58 N -3.10 1.37 -0.72 2.91 2.20 -1.26 -4.87 119.74 116.27 1v86 s LYS 58 Ca 0.28 -2.01 -0.24 0.00 -0.36 0.00 0.00 55.97 53.65 1v86 s LYS 58 Cb -0.09 -2.55 0.06 0.00 -1.51 0.00 0.00 37.83 33.75 1v86 s LYS 58 CO 0.19 -1.11 1.09 0.08 -0.36 0.00 0.00 175.35 175.23 1v86 s VAL 59 N 0.41 4.16 -0.17 4.02 1.01 -1.26 -3.93 120.40 124.65 1v86 s VAL 59 Ca 0.16 -0.25 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 1v86 s VAL 59 Cb -0.24 -4.77 0.08 0.00 0.00 0.00 0.00 36.38 31.45 1v86 s VAL 59 CO -0.03 -1.60 0.36 -0.04 0.00 0.00 0.00 175.10 173.79 1v86 s MET 60 N 4.48 0.26 -0.31 2.72 1.00 -1.25 -4.02 119.30 122.18 1v86 s MET 60 Ca 0.28 0.91 0.01 0.00 0.00 0.00 0.00 55.69 56.89 1v86 s MET 60 Cb -0.13 0.18 0.09 0.00 0.00 0.00 0.00 34.83 34.97 1v86 s MET 60 CO 0.09 -0.26 0.06 -0.47 0.00 0.00 0.00 175.02 174.45 1v86 s TYR 61 N 2.45 2.49 -0.66 -0.03 5.04 -1.26 -3.35 117.35 122.03 1v86 s TYR 61 Ca -0.01 -2.17 0.00 0.00 -2.44 0.00 0.00 57.07 52.45 1v86 s TYR 61 Cb -0.12 -2.11 0.00 0.00 0.35 0.00 0.00 41.96 40.08 1v86 s TYR 61 CO -0.11 -0.89 0.00 1.63 -1.34 0.00 0.00 175.55 174.84 1v86 n LYS 62 N 4.62 -1.94 0.00 4.97 4.76 -1.26 -4.67 118.16 124.64 1v86 n LYS 62 Ca -0.01 0.37 0.00 0.00 -2.87 0.00 0.00 58.31 55.80 1v86 n LYS 62 Cb 0.42 -4.74 0.00 0.00 -1.84 0.00 0.00 35.03 28.88 1v86 n LYS 62 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1v86 n GLY 63 N -0.43 3.84 3.67 0.72 0.00 -1.26 -5.12 105.19 106.61 1v86 n GLY 63 Ca -0.08 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 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 3.24 -4.34 0.99 7.99 -1.26 -4.69 117.00 118.93 1v86 n LEU 64 Ca 0.00 1.17 -0.37 0.00 -0.01 0.00 0.00 56.01 56.80 1v86 n LEU 64 Cb 0.00 -1.44 -0.13 0.00 -0.11 0.00 0.00 43.42 41.74 1v86 n LEU 64 CO 0.00 -0.75 -0.27 -0.69 -1.51 0.00 0.00 177.39 174.17 1v86 s VAL 65 N -1.12 3.95 -0.30 4.08 1.01 -1.26 -4.87 120.40 121.89 1v86 s VAL 65 Ca 0.57 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 1v86 s VAL 65 Cb -0.58 -3.07 -0.00 0.00 0.00 0.00 0.00 36.38 32.73 1v86 s VAL 65 CO 0.61 0.04 1.35 -2.16 0.00 0.00 0.00 175.10 174.94 1v86 s PRO 66 N 1.49 3.86 0.00 2.72 0.04 -1.26 -4.86 135.00 136.99 1v86 s PRO 66 Ca 0.02 1.26 0.15 0.00 0.04 0.00 0.00 61.00 62.47 1v86 s PRO 66 Cb -0.17 -3.91 0.73 0.00 0.04 0.00 0.00 34.50 31.18 1v86 s PRO 66 CO 0.03 -1.19 1.43 0.39 0.04 0.00 0.00 177.00 177.69 1v86 n GLU 67 N 7.44 0.17 0.01 4.56 1.02 -1.26 -1.23 120.64 131.34 1v86 n GLU 67 Ca 0.15 0.17 0.13 0.00 -0.02 0.00 0.00 57.16 57.59 1v86 n GLU 67 Cb 0.47 -1.50 0.35 0.00 -0.02 0.00 0.00 31.44 30.74 1v86 n GLU 67 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1v86 n ASP 68 N -1.33 0.40 -4.36 1.62 2.03 -1.26 -3.51 116.55 110.14 1v86 n ASP 68 Ca 0.06 0.05 -0.21 0.00 0.52 0.00 0.00 54.79 55.21 1v86 n ASP 68 Cb 0.13 -0.02 -0.11 0.00 -0.72 0.00 0.00 41.12 40.41 1v86 n ASP 68 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1v86 s LYS 69 N -3.03 1.36 0.60 -0.67 1.02 -0.36 -4.95 119.74 113.72 1v86 s LYS 69 Ca 0.11 -1.53 -0.06 0.00 0.02 0.00 0.00 55.97 54.52 1v86 s LYS 69 Cb 0.17 -1.35 0.02 0.00 -0.52 0.00 0.00 37.83 36.15 1v86 s LYS 69 CO 0.65 0.26 0.91 0.95 -0.92 0.00 0.00 175.35 177.20 1v86 s THR 70 N -2.40 3.45 0.14 2.17 -4.23 -1.26 0.62 115.64 114.13 1v86 s THR 70 Ca 0.20 -0.06 -0.26 0.00 -1.18 0.00 0.00 61.69 60.40 1v86 s THR 70 Cb -0.04 -3.38 -0.01 0.00 1.34 0.00 0.00 72.50 70.40 1v86 s THR 70 CO 0.08 -0.39 1.61 -0.07 -0.54 0.00 0.00 174.62 175.31 1v86 h LEU 71 N -0.22 -1.02 -2.24 4.79 3.38 -1.58 1.76 115.31 120.18 1v86 h LEU 71 Ca -0.45 0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1v86 h LEU 71 Cb 1.26 0.44 0.00 0.00 0.09 0.00 0.00 40.66 42.45 1v86 h LEU 71 CO 0.60 -0.36 0.20 -0.09 0.09 0.00 0.00 178.44 178.88 1v86 h ARG 72 N -0.38 0.00 0.08 1.13 2.43 -1.81 0.25 114.38 116.08 1v86 h ARG 72 Ca 0.10 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.90 1v86 h ARG 72 Cb 0.55 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 1v86 h ARG 72 CO -0.38 0.00 -2.13 0.39 -1.51 0.00 0.00 179.97 176.34 1v86 n GLU 73 N -2.86 0.72 0.00 0.20 1.02 0.24 -3.94 120.64 116.02 1v86 n GLU 73 Ca -0.02 0.24 0.10 0.00 -0.02 0.00 0.00 57.16 57.46 1v86 n GLU 73 Cb 0.25 -1.65 0.53 0.00 -0.02 0.00 0.00 31.44 30.55 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 -3.45 0.32 -1.16 -3.67 -6.64 0.53 -4.89 119.36 100.40 1v86 n ILE 74 Ca -0.36 0.08 0.00 0.00 -1.77 0.00 0.00 62.75 60.70 1v86 n ILE 74 Cb 1.02 -0.74 0.00 0.00 -1.44 0.00 0.00 39.64 38.48 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 -1.25 0.00 -4.31 6.28 5.02 0.68 -5.03 118.16 119.55 1v86 n LYS 75 Ca 0.11 0.39 -0.23 0.00 -2.02 0.00 0.00 58.31 56.55 1v86 n LYS 75 Cb 0.15 -1.04 -0.13 0.00 -0.02 0.00 0.00 35.03 34.00 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 -0.53 1.55 0.34 -0.18 1.01 -0.76 -4.96 120.40 116.87 1v86 s VAL 76 Ca 0.00 -1.41 0.06 0.00 0.00 0.00 0.00 61.98 60.62 1v86 s VAL 76 Cb 0.00 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1v86 s VAL 76 CO 0.00 -0.05 0.23 0.42 0.00 0.00 0.00 175.10 175.69 1v86 s THR 77 N -1.12 0.16 -0.63 3.92 -4.23 -1.26 -4.74 115.64 107.74 1v86 s THR 77 Ca 0.05 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.29 1v86 s THR 77 Cb -0.10 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 71.32 1v86 s THR 77 CO 0.03 0.00 1.16 -0.94 -0.54 0.00 0.00 174.62 174.34 1v86 s SER 78 N -3.42 6.33 0.00 3.99 1.04 -1.26 -3.01 113.70 117.37 1v86 s SER 78 Ca 0.36 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.59 1v86 s SER 78 Cb 0.03 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1v86 s SER 78 CO 0.23 -1.54 0.00 0.61 0.98 0.00 0.00 173.24 173.52 1v86 n GLY 79 N 5.18 1.75 3.53 7.32 0.00 0.47 -4.82 105.19 118.62 1v86 n GLY 79 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 0.35 0.07 4.61 0.00 -1.16 -4.81 121.76 118.82 1v86 s ALA 80 Ca 0.00 -1.07 0.08 0.00 0.00 0.00 0.00 51.96 50.98 1v86 s ALA 80 Cb 0.00 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 1v86 s ALA 80 CO 0.00 -3.91 -0.22 0.21 0.00 0.00 0.00 175.76 171.84 1v86 s LYS 81 N -5.47 1.37 -0.07 0.00 2.20 -1.26 -2.29 119.74 114.22 1v86 s LYS 81 Ca 0.72 -1.06 -0.02 0.00 -0.36 0.00 0.00 55.97 55.25 1v86 s LYS 81 Cb -0.08 -1.57 0.03 0.00 -1.51 0.00 0.00 37.83 34.71 1v86 s LYS 81 CO 0.56 0.39 0.04 0.42 -0.36 0.00 0.00 175.35 176.40 1v86 s ILE 82 N -0.92 0.11 -0.01 5.43 -1.09 -0.77 -4.64 121.20 119.31 1v86 s ILE 82 Ca 0.08 0.20 -0.11 0.00 -2.23 0.00 0.00 60.65 58.59 1v86 s ILE 82 Cb -0.09 -0.38 -0.05 0.00 -1.58 0.00 0.00 42.46 40.35 1v86 s ILE 82 CO 0.03 0.14 0.34 -0.04 -1.23 0.00 0.00 174.94 174.18 1v86 s MET 83 N 2.07 3.76 0.08 2.79 -1.94 -1.21 0.20 119.30 125.05 1v86 s MET 83 Ca 0.04 0.21 0.04 0.00 -1.71 0.00 0.00 55.69 54.28 1v86 s MET 83 Cb -0.13 -3.16 -0.03 0.00 2.01 0.00 0.00 34.83 33.52 1v86 s MET 83 CO -0.05 0.68 -0.11 0.08 -0.01 0.00 0.00 175.02 175.62 1v86 s VAL 84 N -1.15 0.92 0.31 -6.03 1.01 -0.26 -3.97 120.40 111.23 1v86 s VAL 84 Ca 0.24 -1.42 0.01 0.00 0.00 0.00 0.00 61.98 60.81 1v86 s VAL 84 Cb -0.15 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 1v86 s VAL 84 CO 0.13 -0.41 0.35 0.54 0.00 0.00 0.00 175.10 175.70 1v86 s VAL 85 N -1.85 0.00 0.00 2.92 0.11 -1.26 -4.32 120.40 115.99 1v86 s VAL 85 Ca -0.00 -1.79 0.00 0.00 -2.93 0.00 0.00 61.98 57.26 1v86 s VAL 85 Cb -0.07 -2.54 0.00 0.00 -1.53 0.00 0.00 36.38 32.25 1v86 s VAL 85 CO 0.01 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.39 1v86 n GLY 86 N -0.52 0.87 3.55 6.54 0.00 -1.21 -4.13 105.19 110.28 1v86 n GLY 86 Ca 0.03 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.09 4.93 -0.07 1.61 0.15 -1.26 -4.92 113.70 112.05 1v86 s SER 87 Ca 0.00 0.33 0.01 0.00 0.70 0.00 0.00 55.95 56.99 1v86 s SER 87 Cb 0.00 -2.53 0.02 0.00 -1.71 0.00 0.00 66.02 61.80 1v86 s SER 87 CO 0.00 -2.68 -0.10 0.42 1.20 0.00 0.00 173.24 172.08 1v86 s THR 88 N 10.47 1.03 -0.21 6.45 -4.23 -1.26 -5.12 115.64 122.77 1v86 s THR 88 Ca 0.77 -0.39 -0.04 0.00 -1.18 0.00 0.00 61.69 60.86 1v86 s THR 88 Cb -0.13 -0.98 -0.01 0.00 1.34 0.00 0.00 72.50 72.72 1v86 s THR 88 CO 0.17 0.34 -0.05 0.27 -0.54 0.00 0.00 174.62 174.82 1v86 s ILE 89 N 0.95 3.42 0.43 2.99 -5.25 -1.26 -4.87 121.20 117.60 1v86 s ILE 89 Ca -0.09 -0.49 0.00 0.00 -0.99 0.00 0.00 60.65 59.08 1v86 s ILE 89 Cb -0.15 -2.54 0.00 0.00 2.95 0.00 0.00 42.46 42.72 1v86 s ILE 89 CO 0.00 0.44 0.00 -0.24 -1.79 0.00 0.00 174.94 173.35 1v86 n SER 90 N 4.54 -3.15 -3.14 4.36 2.88 -1.26 -5.09 113.62 112.76 1v86 n SER 90 Ca -0.18 0.80 0.03 0.00 -1.33 0.00 0.00 58.87 58.19 1v86 n SER 90 Cb 0.51 2.99 -0.00 0.00 -0.75 0.00 0.00 64.21 66.96 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 -2.84 -1.25 -0.34 0.46 0.00 -1.26 -5.12 107.32 96.96 1v86 s GLY 91 Ca 0.00 0.95 -0.29 0.00 0.00 0.00 0.00 44.72 45.38 1v86 s GLY 91 CO 0.00 3.79 1.37 2.56 0.00 0.00 0.00 173.10 180.82 1v86 s PRO 92 N 2.47 3.76 -0.30 2.90 0.04 -1.26 -4.11 135.00 138.50 1v86 s PRO 92 Ca 0.15 1.15 -0.07 0.00 0.04 0.00 0.00 61.00 62.26 1v86 s PRO 92 Cb -0.06 -3.95 0.01 0.00 0.04 0.00 0.00 34.50 30.54 1v86 s PRO 92 CO -0.19 -1.32 0.27 0.43 0.04 0.00 0.00 177.00 176.22 1v86 n SER 93 N 8.20 -6.88 -3.44 6.66 7.64 -1.26 -5.05 113.62 119.49 1v86 n SER 93 Ca 0.16 0.77 -0.19 0.00 1.01 0.00 0.00 58.87 60.62 1v86 n SER 93 Cb 0.47 -4.56 -0.11 0.00 -1.01 0.00 0.00 64.21 59.00 1v86 n SER 93 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1v86 s SER 94 N -1.86 1.92 0.00 6.43 0.15 -1.26 -5.19 113.70 113.88 1v86 s SER 94 Ca 0.11 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 56.01 1v86 s SER 94 Cb -0.03 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 1v86 s SER 94 CO 0.63 -0.39 0.18 0.61 1.20 0.00 0.00 173.24 175.48