#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 -0.53 -0.29 1.61 0.01 -1.26 -5.15 113.70 108.10 1v86 s SER 2 Ca 0.00 0.85 -0.03 0.00 1.31 0.00 0.00 55.95 58.08 1v86 s SER 2 Cb 0.00 0.86 0.17 0.00 0.21 0.00 0.00 66.02 67.26 1v86 s SER 2 CO 0.00 -0.32 0.59 -0.44 0.41 0.00 0.00 173.24 173.48 1v86 s SER 3 N -0.30 -1.19 -0.82 2.44 0.01 -1.26 -5.07 113.70 107.52 1v86 s SER 3 Ca -0.05 0.99 0.02 0.00 1.31 0.00 0.00 55.95 58.22 1v86 s SER 3 Cb -0.03 2.10 0.28 0.00 0.21 0.00 0.00 66.02 68.58 1v86 s SER 3 CO 0.03 -0.25 1.08 0.61 0.41 0.00 0.00 173.24 175.12 1v86 n GLY 4 N 5.43 5.06 3.15 3.44 0.00 -1.26 -4.92 105.19 116.09 1v86 n GLY 4 Ca -0.04 -2.73 0.05 0.00 0.00 0.00 0.00 46.02 43.30 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 -2.25 -1.06 -0.29 1.61 0.01 -1.26 -5.15 113.70 105.32 1v86 s SER 5 Ca 0.37 0.46 -0.14 0.00 1.31 0.00 0.00 55.95 57.94 1v86 s SER 5 Cb 0.12 1.81 0.13 0.00 0.21 0.00 0.00 66.02 68.28 1v86 s SER 5 CO 0.02 -0.20 0.82 -0.55 0.41 0.00 0.00 173.24 173.74 1v86 s SER 6 N 2.89 -0.81 0.18 2.44 0.15 -1.26 -5.10 113.70 112.19 1v86 s SER 6 Ca 0.13 1.20 0.00 0.00 0.70 0.00 0.00 55.95 57.99 1v86 s SER 6 Cb -0.11 1.62 0.00 0.00 -1.71 0.00 0.00 66.02 65.82 1v86 s SER 6 CO -0.20 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.67 1v86 n GLY 7 N 4.56 -5.29 2.09 9.45 0.00 -1.26 -5.05 105.19 109.69 1v86 n GLY 7 Ca -0.16 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 1.74 -1.74 -1.22 1.61 2.03 -1.26 -5.17 116.55 112.55 1v86 n ASP 8 Ca 0.00 0.47 0.16 0.00 0.52 0.00 0.00 54.79 55.94 1v86 n ASP 8 Cb 0.00 1.79 -0.06 0.00 -0.72 0.00 0.00 41.12 42.13 1v86 n ASP 8 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1v86 n ALA 9 N -3.08 -3.17 0.00 -1.67 0.00 -1.26 -5.08 120.51 106.24 1v86 n ALA 9 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1v86 n ALA 9 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1v86 n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1v86 n GLY 10 N -4.00 3.80 0.00 0.00 0.00 -1.26 -5.17 105.19 98.57 1v86 n GLY 10 Ca -0.03 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.79 0.37 3.29 -0.02 0.00 -1.26 -5.10 105.19 101.67 1v86 n GLY 11 Ca 0.00 -1.92 -0.20 0.00 0.00 0.00 0.00 46.02 43.91 1v86 n GLY 11 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1v86 s GLY 12 N 0.00 2.33 -0.04 -0.02 0.00 -1.26 -5.16 107.32 103.16 1v86 s GLY 12 Ca 0.00 -2.02 0.07 0.00 0.00 0.00 0.00 44.72 42.76 1v86 s GLY 12 CO 0.00 -1.49 -0.25 0.54 0.00 0.00 0.00 173.10 171.90 1v86 s VAL 13 N -3.46 2.11 0.00 1.40 0.11 -1.26 -4.96 120.40 114.34 1v86 s VAL 13 Ca 0.40 -1.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.38 1v86 s VAL 13 Cb 0.02 -1.75 0.00 0.00 -1.53 0.00 0.00 36.38 33.13 1v86 s VAL 13 CO 0.27 0.57 0.00 0.61 -3.33 0.00 0.00 175.10 173.22 1v86 n GLY 14 N 2.73 -2.21 2.80 6.54 0.00 -1.26 -5.13 105.19 108.66 1v86 n GLY 14 Ca -0.17 0.70 -0.17 0.00 0.00 0.00 0.00 46.02 46.39 1v86 n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v86 s LYS 15 N -0.09 0.00 0.01 1.61 1.02 -1.26 -5.11 119.74 115.92 1v86 s LYS 15 Ca 0.00 0.41 -0.30 0.00 0.02 0.00 0.00 55.97 56.10 1v86 s LYS 15 Cb 0.00 -0.31 -0.08 0.00 -0.52 0.00 0.00 37.83 36.92 1v86 s LYS 15 CO 0.00 -0.26 1.77 -2.00 -0.92 0.00 0.00 175.35 173.94 1v86 s GLU 16 N 1.81 4.17 0.59 1.68 2.12 -1.26 -4.90 118.70 122.91 1v86 s GLU 16 Ca -0.01 2.39 -0.18 0.00 0.36 0.00 0.00 54.97 57.53 1v86 s GLU 16 Cb -0.12 -3.94 -0.15 0.00 0.26 0.00 0.00 34.13 30.18 1v86 s GLU 16 CO -0.05 -0.86 -0.23 1.28 -0.54 0.00 0.00 175.26 174.86 1v86 n LEU 17 N 6.84 -4.01 -4.84 2.70 7.99 -1.26 -4.90 117.00 119.52 1v86 n LEU 17 Ca 0.18 0.58 -0.32 0.00 -0.01 0.00 0.00 56.01 56.43 1v86 n LEU 17 Cb 0.41 -0.84 -0.06 0.00 -0.11 0.00 0.00 43.42 42.83 1v86 n LEU 17 CO 0.64 -4.98 0.53 0.54 -1.51 0.00 0.00 177.39 172.62 1v86 s VAL 18 N -2.00 4.57 -0.21 4.08 0.11 0.22 -4.74 120.40 122.43 1v86 s VAL 18 Ca 0.54 1.13 -0.21 0.00 -2.93 0.00 0.00 61.98 60.51 1v86 s VAL 18 Cb -0.44 -3.63 -0.02 0.00 -1.53 0.00 0.00 36.38 30.75 1v86 s VAL 18 CO 0.69 -0.34 0.67 -0.62 -3.33 0.00 0.00 175.10 172.17 1v86 s ASP 19 N -2.45 6.70 0.02 3.54 -1.08 -1.26 -2.65 116.67 119.49 1v86 s ASP 19 Ca 0.57 0.85 0.02 0.00 -0.52 0.00 0.00 52.55 53.47 1v86 s ASP 19 Cb -0.10 -2.36 -0.01 0.00 -1.46 0.00 0.00 42.92 38.99 1v86 s ASP 19 CO 0.19 -0.34 -0.06 -0.76 0.52 0.00 0.00 175.17 174.73 1v86 s LEU 20 N 2.18 2.11 -0.17 -1.34 1.43 -1.16 0.71 118.68 122.44 1v86 s LEU 20 Ca 0.30 -0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 53.05 1v86 s LEU 20 Cb -0.16 -0.21 -0.03 0.00 0.03 0.00 0.00 46.19 45.82 1v86 s LEU 20 CO 0.10 -0.06 0.02 -0.54 0.23 0.00 0.00 176.35 176.10 1v86 s LYS 21 N -0.74 3.83 -1.08 1.70 1.02 -1.19 -2.84 119.74 120.44 1v86 s LYS 21 Ca -0.03 -0.42 -0.17 0.00 0.02 0.00 0.00 55.97 55.36 1v86 s LYS 21 Cb -0.05 -3.10 0.13 0.00 -0.52 0.00 0.00 37.83 34.29 1v86 s LYS 21 CO 0.00 0.23 1.33 0.42 -0.92 0.00 0.00 175.35 176.41 1v86 s ILE 22 N 0.44 4.72 -0.19 2.17 -1.09 -1.08 -1.59 121.20 124.58 1v86 s ILE 22 Ca 0.00 -1.94 -0.29 0.00 -2.23 0.00 0.00 60.65 56.19 1v86 s ILE 22 Cb -0.13 -4.89 -0.00 0.00 -1.58 0.00 0.00 42.46 35.85 1v86 s ILE 22 CO 0.01 -1.64 1.16 -0.63 -1.23 0.00 0.00 174.94 172.62 1v86 s ILE 23 N 2.60 4.47 -0.26 2.92 -1.09 0.12 -3.58 121.20 126.39 1v86 s ILE 23 Ca 0.40 1.77 -0.02 0.00 -2.23 0.00 0.00 60.65 60.57 1v86 s ILE 23 Cb -0.03 -4.14 0.14 0.00 -1.58 0.00 0.00 42.46 36.85 1v86 s ILE 23 CO -0.04 -0.15 0.42 0.86 -1.23 0.00 0.00 174.94 174.79 1v86 s TRP 24 N 3.33 -0.97 0.00 3.97 -0.00 -1.18 0.15 118.94 124.23 1v86 s TRP 24 Ca 0.50 0.97 0.00 0.00 -0.00 0.00 0.00 56.10 57.57 1v86 s TRP 24 Cb -0.19 0.11 0.00 0.00 -0.00 0.00 0.00 33.47 33.40 1v86 s TRP 24 CO 0.11 -0.76 0.00 0.09 -0.00 0.00 0.00 176.95 176.39 1v86 n ASN 25 N 5.38 0.00 -1.61 5.86 3.02 -1.26 -1.61 115.26 125.04 1v86 n ASN 25 Ca -0.03 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.50 1v86 n ASN 25 Cb 0.50 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.70 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 0.46 -4.35 3.52 2.85 -1.26 -5.14 118.16 114.24 1v86 n LYS 26 Ca 0.00 -0.62 -0.28 0.00 -1.05 0.00 0.00 58.31 56.36 1v86 n LYS 26 Cb 0.00 0.34 -0.11 0.00 -0.65 0.00 0.00 35.03 34.61 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 0.04 2.73 -0.33 0.58 -4.23 -0.63 -5.11 115.64 108.70 1v86 s THR 27 Ca 0.03 -1.76 -0.01 0.00 -1.18 0.00 0.00 61.69 58.77 1v86 s THR 27 Cb 0.15 -2.30 0.11 0.00 1.34 0.00 0.00 72.50 71.80 1v86 s THR 27 CO -0.04 -0.04 0.15 -0.54 -0.54 0.00 0.00 174.62 173.60 1v86 s LYS 28 N -2.54 0.57 -0.43 3.99 1.02 -1.26 -3.12 119.74 117.97 1v86 s LYS 28 Ca 0.21 -1.06 -0.17 0.00 0.02 0.00 0.00 55.97 54.97 1v86 s LYS 28 Cb -0.09 -1.60 0.03 0.00 -0.52 0.00 0.00 37.83 35.65 1v86 s LYS 28 CO 0.11 -1.07 0.43 -1.01 -0.92 0.00 0.00 175.35 172.89 1v86 s HIS 29 N 1.50 3.18 -0.58 3.18 3.76 -1.23 -4.86 115.29 120.24 1v86 s HIS 29 Ca 0.12 -0.48 -0.27 0.00 -0.15 0.00 0.00 55.06 54.28 1v86 s HIS 29 Cb -0.19 -2.93 -0.00 0.00 1.11 0.00 0.00 32.58 30.57 1v86 s HIS 29 CO -0.20 -0.72 1.61 -0.51 -0.85 0.00 0.00 174.74 174.06 1v86 s ASP 30 N 1.94 5.78 0.00 1.40 1.01 -1.26 -2.62 116.67 122.92 1v86 s ASP 30 Ca 0.10 0.32 0.07 0.00 0.71 0.00 0.00 52.55 53.76 1v86 s ASP 30 Cb -0.18 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.18 1v86 s ASP 30 CO 0.12 -1.98 -0.22 0.68 0.21 0.00 0.00 175.17 173.98 1v86 s VAL 31 N 7.27 2.42 -0.33 -1.27 -7.23 -1.13 -5.04 120.40 115.09 1v86 s VAL 31 Ca 0.59 -1.11 -0.07 0.00 -1.81 0.00 0.00 61.98 59.58 1v86 s VAL 31 Cb -0.12 -1.92 0.03 0.00 0.56 0.00 0.00 36.38 34.93 1v86 s VAL 31 CO 0.23 0.49 0.10 -1.59 -0.31 0.00 0.00 175.10 174.02 1v86 s LYS 32 N -0.93 2.77 0.09 4.82 -2.85 -1.26 -2.98 119.74 119.40 1v86 s LYS 32 Ca 0.12 -1.08 0.06 0.00 -1.00 0.00 0.00 55.97 54.06 1v86 s LYS 32 Cb -0.10 -3.45 -0.03 0.00 -2.06 0.00 0.00 37.83 32.19 1v86 s LYS 32 CO 0.01 -0.60 -0.15 0.14 0.10 0.00 0.00 175.35 174.85 1v86 s VAL 33 N 1.44 1.23 0.43 1.79 -7.23 -1.08 -4.86 120.40 112.11 1v86 s VAL 33 Ca -0.00 -1.46 -0.22 0.00 -1.81 0.00 0.00 61.98 58.48 1v86 s VAL 33 Cb -0.19 -1.26 -0.09 0.00 0.56 0.00 0.00 36.38 35.40 1v86 s VAL 33 CO 0.03 -0.28 1.05 -2.16 -0.31 0.00 0.00 175.10 173.43 1v86 s PRO 34 N -2.06 4.02 0.47 4.82 0.04 -1.26 0.71 135.00 141.73 1v86 s PRO 34 Ca 0.02 1.46 0.32 0.00 0.04 0.00 0.00 61.00 62.84 1v86 s PRO 34 Cb -0.08 -2.36 1.47 0.00 0.04 0.00 0.00 34.50 33.57 1v86 s PRO 34 CO 0.03 -0.26 1.96 1.25 0.04 0.00 0.00 177.00 180.01 1v86 h LEU 35 N 2.12 0.00 -0.85 -3.56 5.85 -1.94 -1.12 115.31 115.81 1v86 h LEU 35 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 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 0.61 0.00 0.00 -0.67 -0.34 0.00 0.00 178.44 178.04 1v86 n ASP 36 N -2.76 0.47 -4.67 1.25 -0.08 -1.26 -3.19 116.55 106.31 1v86 n ASP 36 Ca -0.00 0.67 -0.42 0.00 -1.51 0.00 0.00 54.79 53.52 1v86 n ASP 36 Cb 0.20 -0.75 -0.03 0.00 2.34 0.00 0.00 41.12 42.88 1v86 n ASP 36 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1v86 n SER 37 N -2.08 4.09 -4.77 1.67 7.64 -0.43 -4.87 113.62 114.88 1v86 n SER 37 Ca 0.00 0.94 -0.38 0.00 1.01 0.00 0.00 58.87 60.44 1v86 n SER 37 Cb 0.11 -1.53 -0.05 0.00 -1.01 0.00 0.00 64.21 61.74 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 3.70 3.70 0.59 0.44 -4.23 -1.26 -2.29 115.64 116.29 1v86 s THR 38 Ca 0.86 1.52 0.31 0.00 -1.18 0.00 0.00 61.69 63.20 1v86 s THR 38 Cb -0.46 -3.89 0.45 0.00 1.34 0.00 0.00 72.50 69.94 1v86 s THR 38 CO 0.40 0.22 1.51 1.23 -0.54 0.00 0.00 174.62 177.45 1v86 h GLY 39 N 3.27 0.00 0.55 3.99 0.00 -1.57 1.18 103.07 110.49 1v86 h GLY 39 Ca -0.47 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.74 1v86 h GLY 39 CO 0.65 0.00 -0.50 0.23 0.00 0.00 0.00 176.54 176.92 1v86 h SER 40 N 0.00 0.35 -0.81 0.19 0.87 -1.82 -3.27 113.55 109.06 1v86 h SER 40 Ca 0.50 -0.87 0.11 0.00 -1.23 0.00 0.00 61.79 60.29 1v86 h SER 40 Cb 2.60 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 64.39 1v86 h SER 40 CO -0.01 1.18 0.53 -0.33 -0.53 0.00 0.00 176.83 177.67 1v86 h GLU 41 N -0.43 0.69 -0.99 2.24 5.08 0.10 -1.50 114.58 119.78 1v86 h GLU 41 Ca -0.08 -0.04 0.27 0.00 -1.00 0.00 0.00 59.36 58.51 1v86 h GLU 41 Cb 1.30 -0.16 -0.18 0.00 0.50 0.00 0.00 28.75 30.21 1v86 h GLU 41 CO 0.10 0.46 0.02 -0.07 -1.00 0.00 0.00 179.01 178.52 1v86 h LEU 42 N 0.71 -0.49 -0.06 1.33 3.38 -1.33 0.95 115.31 119.81 1v86 h LEU 42 Ca 0.38 0.28 0.01 0.00 0.09 0.00 0.00 57.88 58.64 1v86 h LEU 42 Cb 0.51 0.49 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1v86 h LEU 42 CO -0.15 -0.36 -0.22 0.11 0.09 0.00 0.00 178.44 177.91 1v86 h LYS 43 N 0.01 -0.23 0.00 1.13 1.79 -1.44 1.66 116.57 119.49 1v86 h LYS 43 Ca 0.60 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.09 1v86 h LYS 43 Cb 1.23 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 1v86 h LYS 43 CO -0.93 -0.15 0.00 1.04 -1.08 0.00 0.00 179.45 178.33 1v86 n GLN 44 N -3.74 0.15 0.06 3.15 6.02 0.62 0.12 117.38 123.76 1v86 n GLN 44 Ca -0.02 0.54 -0.12 0.00 -0.01 0.00 0.00 57.00 57.38 1v86 n GLN 44 Cb 0.15 -1.89 -0.13 0.00 1.02 0.00 0.00 30.24 29.39 1v86 n GLN 44 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1v86 h LYS 45 N 0.00 0.14 0.10 -1.09 1.63 0.50 -2.74 116.57 115.11 1v86 h LYS 45 Ca 0.00 -0.24 -0.36 0.00 -0.85 0.00 0.00 60.65 59.20 1v86 h LYS 45 Cb 0.15 0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.84 1v86 h LYS 45 CO 0.00 1.03 -2.04 -0.89 -3.45 0.00 0.00 179.45 174.10 1v86 n ILE 46 N -3.39 1.74 0.28 2.00 5.41 0.52 -3.94 119.36 121.98 1v86 n ILE 46 Ca -0.09 -0.66 0.14 0.00 1.00 0.00 0.00 62.75 63.15 1v86 n ILE 46 Cb 1.00 -1.64 0.81 0.00 -0.71 0.00 0.00 39.64 39.10 1v86 n ILE 46 CO 0.00 0.00 0.00 -0.74 0.00 0.00 0.00 176.55 175.81 1v86 h HIS 47 N 0.06 0.00 0.00 1.39 -0.00 0.76 0.81 115.15 118.17 1v86 h HIS 47 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.94 1v86 h HIS 47 Cb 2.02 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.43 1v86 h HIS 47 CO 0.07 0.08 0.00 0.43 -0.00 0.00 0.00 177.93 178.51 1v86 n SER 48 N -3.61 0.47 0.01 3.26 7.64 -1.03 -1.47 113.62 118.89 1v86 n SER 48 Ca -0.02 0.59 -0.02 0.00 1.01 0.00 0.00 58.87 60.42 1v86 n SER 48 Cb 0.19 -0.70 -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 -1.98 1.02 -0.23 0.44 5.41 0.34 -4.69 119.36 119.67 1v86 n ILE 49 Ca 0.04 0.29 0.17 0.00 1.00 0.00 0.00 62.75 64.24 1v86 n ILE 49 Cb 0.28 -1.66 0.48 0.00 -0.71 0.00 0.00 39.64 38.03 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 -0.23 0.74 0.00 1.39 1.35 0.36 -3.45 112.91 113.07 1v86 h THR 50 Ca 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1v86 h THR 50 Cb 0.23 0.22 0.00 0.00 -1.73 0.00 0.00 68.15 66.87 1v86 h THR 50 CO 0.00 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 1v86 n GLY 51 N -1.50 2.98 3.75 5.82 0.00 -0.54 -5.00 105.19 110.70 1v86 n GLY 51 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 2.07 0.33 0.99 2.34 -1.26 -4.97 118.68 118.18 1v86 s LEU 52 Ca 0.00 1.20 -0.27 0.00 0.06 0.00 0.00 54.13 55.12 1v86 s LEU 52 Cb 0.00 -3.56 -0.09 0.00 -0.56 0.00 0.00 46.19 41.97 1v86 s LEU 52 CO 0.00 -2.61 1.07 -2.16 -1.06 0.00 0.00 176.35 171.59 1v86 s PRO 53 N -5.10 4.43 0.28 1.48 0.04 -1.26 -4.56 135.00 130.31 1v86 s PRO 53 Ca 0.63 1.65 0.13 0.00 0.04 0.00 0.00 61.00 63.46 1v86 s PRO 53 Cb -0.16 -2.89 0.30 0.00 0.04 0.00 0.00 34.50 31.78 1v86 s PRO 53 CO 0.55 0.06 1.56 -1.00 0.04 0.00 0.00 177.00 178.21 1v86 h PRO 54 N 3.22 0.00 0.00 0.56 0.13 -1.92 -2.20 132.00 131.78 1v86 h PRO 54 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1v86 h PRO 54 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1v86 h PRO 54 CO 0.65 0.60 -0.05 0.00 -0.23 0.00 0.00 178.00 178.96 1v86 h ALA 55 N 1.40 1.20 0.00 -0.56 0.00 -1.98 -1.42 119.26 117.90 1v86 h ALA 55 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1v86 h ALA 55 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1v86 h ALA 55 CO 0.08 0.07 -1.81 -1.33 0.00 0.00 0.00 179.25 176.26 1v86 n MET 56 N -3.44 0.55 -1.81 0.00 2.81 -1.09 -4.97 117.12 109.18 1v86 n MET 56 Ca -0.02 -0.16 -0.32 0.00 -1.81 0.00 0.00 57.70 55.39 1v86 n MET 56 Cb 0.18 -1.51 0.03 0.00 -0.71 0.00 0.00 33.22 31.22 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 -3.41 3.11 -0.41 0.03 -0.21 -0.54 -4.41 119.66 113.82 1v86 s GLN 57 Ca -0.05 1.10 0.02 0.00 0.02 0.00 0.00 55.36 56.44 1v86 s GLN 57 Cb 0.14 -2.01 0.12 0.00 1.00 0.00 0.00 33.01 32.27 1v86 s GLN 57 CO 0.89 -0.97 0.20 0.21 -2.12 0.00 0.00 175.29 173.49 1v86 s LYS 58 N -4.53 1.22 -0.44 2.91 2.20 -1.26 -4.87 119.74 114.96 1v86 s LYS 58 Ca 0.61 -1.83 -0.28 0.00 -0.36 0.00 0.00 55.97 54.11 1v86 s LYS 58 Cb -0.15 -2.38 0.00 0.00 -1.51 0.00 0.00 37.83 33.79 1v86 s LYS 58 CO 0.45 -1.10 1.54 0.08 -0.36 0.00 0.00 175.35 175.96 1v86 s VAL 59 N 0.63 3.73 -0.17 4.02 1.01 -1.26 -4.29 120.40 124.06 1v86 s VAL 59 Ca 0.15 0.70 -0.06 0.00 0.00 0.00 0.00 61.98 62.77 1v86 s VAL 59 Cb -0.23 -4.11 0.08 0.00 0.00 0.00 0.00 36.38 32.13 1v86 s VAL 59 CO -0.06 -0.79 0.36 -0.04 0.00 0.00 0.00 175.10 174.58 1v86 s MET 60 N 5.41 0.26 -0.29 2.72 1.00 -1.24 -3.93 119.30 123.23 1v86 s MET 60 Ca 0.64 0.93 0.01 0.00 0.00 0.00 0.00 55.69 57.27 1v86 s MET 60 Cb -0.15 0.20 0.09 0.00 0.00 0.00 0.00 34.83 34.97 1v86 s MET 60 CO 0.30 -0.26 0.05 -0.47 0.00 0.00 0.00 175.02 174.64 1v86 s TYR 61 N 2.52 2.36 -0.39 -0.03 5.04 -1.26 -3.02 117.35 122.57 1v86 s TYR 61 Ca -0.01 -2.02 0.00 0.00 -2.44 0.00 0.00 57.07 52.60 1v86 s TYR 61 Cb -0.12 -1.96 0.00 0.00 0.35 0.00 0.00 41.96 40.23 1v86 s TYR 61 CO -0.11 -0.86 0.00 1.63 -1.34 0.00 0.00 175.55 174.87 1v86 n LYS 62 N 4.66 -2.31 0.00 4.97 5.02 -1.26 -4.66 118.16 124.59 1v86 n LYS 62 Ca -0.03 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1v86 n LYS 62 Cb 0.43 -4.64 0.00 0.00 -0.02 0.00 0.00 35.03 30.80 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 -0.47 3.95 3.66 0.72 0.00 -1.26 -5.12 105.19 106.67 1v86 n GLY 63 Ca -0.05 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 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 2.93 -4.27 0.99 7.99 -1.26 -4.69 117.00 118.69 1v86 n LEU 64 Ca 0.00 1.19 -0.38 0.00 -0.01 0.00 0.00 56.01 56.81 1v86 n LEU 64 Cb 0.00 -1.41 -0.12 0.00 -0.11 0.00 0.00 43.42 41.78 1v86 n LEU 64 CO 0.00 -0.78 -0.24 -0.69 -1.51 0.00 0.00 177.39 174.17 1v86 s VAL 65 N -0.95 3.81 -0.09 4.08 1.01 -1.25 -4.88 120.40 122.12 1v86 s VAL 65 Ca 0.58 -1.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.07 1v86 s VAL 65 Cb -0.62 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1v86 s VAL 65 CO 0.60 -0.23 1.24 -2.16 0.00 0.00 0.00 175.10 174.55 1v86 s PRO 66 N 1.39 4.30 0.00 2.72 0.04 -1.26 -4.88 135.00 137.31 1v86 s PRO 66 Ca -0.01 1.69 0.16 0.00 0.04 0.00 0.00 61.00 62.89 1v86 s PRO 66 Cb -0.20 -3.64 0.83 0.00 0.04 0.00 0.00 34.50 31.54 1v86 s PRO 66 CO 0.02 -0.55 1.48 0.39 0.04 0.00 0.00 177.00 178.38 1v86 n GLU 67 N 5.73 0.24 0.13 4.56 1.02 -1.26 -1.49 120.64 129.57 1v86 n GLU 67 Ca 0.12 0.13 0.12 0.00 -0.02 0.00 0.00 57.16 57.51 1v86 n GLU 67 Cb 0.45 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.43 1v86 n GLU 67 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1v86 h ASP 68 N 0.00 0.00 -4.14 1.62 5.19 -1.92 -3.20 116.42 113.97 1v86 h ASP 68 Ca 0.00 -0.00 -0.69 0.00 -0.62 0.00 0.00 57.03 55.72 1v86 h ASP 68 Cb 0.15 0.00 -0.24 0.00 0.18 0.00 0.00 39.33 39.42 1v86 h ASP 68 CO 0.00 0.00 -0.82 -0.54 -3.12 0.00 0.00 179.24 174.76 1v86 s LYS 69 N -3.32 2.14 0.74 3.56 -0.14 -0.56 -4.94 119.74 117.22 1v86 s LYS 69 Ca 0.02 -0.93 -0.11 0.00 -1.36 0.00 0.00 55.97 53.59 1v86 s LYS 69 Cb 0.08 -2.17 0.04 0.00 -1.68 0.00 0.00 37.83 34.09 1v86 s LYS 69 CO 0.76 0.56 1.09 0.95 -0.76 0.00 0.00 175.35 177.95 1v86 s THR 70 N -0.81 3.40 0.18 2.17 -4.23 -1.26 -2.09 115.64 112.99 1v86 s THR 70 Ca 0.13 0.45 -0.15 0.00 -1.18 0.00 0.00 61.69 60.94 1v86 s THR 70 Cb -0.10 -3.32 0.11 0.00 1.34 0.00 0.00 72.50 70.52 1v86 s THR 70 CO 0.03 -0.59 1.68 -0.07 -0.54 0.00 0.00 174.62 175.13 1v86 h LEU 71 N -0.84 -0.23 -1.29 4.79 3.38 -1.54 1.48 115.31 121.07 1v86 h LEU 71 Ca -0.46 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1v86 h LEU 71 Cb 1.25 0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1v86 h LEU 71 CO 0.61 -0.08 0.00 -0.09 0.09 0.00 0.00 178.44 178.98 1v86 h ARG 72 N 0.09 0.00 0.05 1.13 2.43 -1.80 0.89 114.38 117.17 1v86 h ARG 72 Ca 0.22 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 59.04 1v86 h ARG 72 Cb 0.33 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.83 1v86 h ARG 72 CO -0.39 0.00 -2.11 0.39 -1.51 0.00 0.00 179.97 176.35 1v86 n GLU 73 N -2.40 0.69 -0.03 0.20 1.02 0.27 -3.95 120.64 116.44 1v86 n GLU 73 Ca 0.00 0.20 0.07 0.00 -0.02 0.00 0.00 57.16 57.41 1v86 n GLU 73 Cb 0.14 -1.65 0.35 0.00 -0.02 0.00 0.00 31.44 30.26 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 -3.22 0.09 -1.73 -3.67 -6.64 0.44 -4.88 119.36 99.74 1v86 n ILE 74 Ca -0.32 -0.12 -0.01 0.00 -1.77 0.00 0.00 62.75 60.53 1v86 n ILE 74 Cb 1.05 -0.04 0.00 0.00 -1.44 0.00 0.00 39.64 39.21 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 -0.37 -0.43 -4.15 6.28 5.02 -0.41 -5.03 118.16 119.07 1v86 n LYS 75 Ca 0.11 0.79 -0.16 0.00 -2.02 0.00 0.00 58.31 57.03 1v86 n LYS 75 Cb 0.13 -2.16 -0.11 0.00 -0.02 0.00 0.00 35.03 32.86 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 -1.17 0.94 0.28 -0.18 1.01 0.17 -4.95 120.40 116.51 1v86 s VAL 76 Ca 0.04 -1.41 -0.07 0.00 0.00 0.00 0.00 61.98 60.54 1v86 s VAL 76 Cb -0.01 -1.11 0.03 0.00 0.00 0.00 0.00 36.38 35.29 1v86 s VAL 76 CO 0.13 -0.39 0.49 0.35 0.00 0.00 0.00 175.10 175.68 1v86 n THR 77 N 1.00 0.00 -2.13 3.92 -2.24 -1.26 -4.60 114.28 108.97 1v86 n THR 77 Ca -0.19 -1.03 -0.43 0.00 -2.27 0.00 0.00 64.05 60.13 1v86 n THR 77 Cb 0.56 0.79 -0.02 0.00 -2.10 0.00 0.00 70.33 69.55 1v86 n THR 77 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1v86 s SER 78 N -2.60 6.09 0.00 3.42 1.04 -1.26 -2.66 113.70 117.72 1v86 s SER 78 Ca 0.17 1.16 0.00 0.00 0.48 0.00 0.00 55.95 57.76 1v86 s SER 78 Cb -0.02 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1v86 s SER 78 CO 0.12 -1.58 0.00 0.61 0.98 0.00 0.00 173.24 173.38 1v86 n GLY 79 N 5.25 1.89 3.62 7.32 0.00 0.22 -4.84 105.19 118.65 1v86 n GLY 79 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 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 3.57 0.57 4.61 0.00 -1.09 -4.97 121.76 122.46 1v86 s ALA 80 Ca 0.00 -0.71 -0.17 0.00 0.00 0.00 0.00 51.96 51.08 1v86 s ALA 80 Cb 0.00 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 1v86 s ALA 80 CO 0.00 -0.65 1.09 0.15 0.00 0.00 0.00 175.76 176.34 1v86 s LYS 81 N 2.09 3.30 -0.21 0.00 3.01 -1.26 -3.20 119.74 123.47 1v86 s LYS 81 Ca 0.18 1.39 -0.04 0.00 -1.01 0.00 0.00 55.97 56.49 1v86 s LYS 81 Cb -0.16 -2.02 0.07 0.00 -1.01 0.00 0.00 37.83 34.71 1v86 s LYS 81 CO 0.09 -0.85 0.07 0.42 0.51 0.00 0.00 175.35 175.60 1v86 s ILE 82 N -2.15 0.25 0.18 2.17 -1.09 -0.62 -4.64 121.20 115.31 1v86 s ILE 82 Ca 0.68 -0.51 -0.28 0.00 -2.23 0.00 0.00 60.65 58.31 1v86 s ILE 82 Cb -0.19 -0.91 -0.08 0.00 -1.58 0.00 0.00 42.46 39.70 1v86 s ILE 82 CO 0.32 -0.34 0.88 -0.32 -1.23 0.00 0.00 174.94 174.25 1v86 s MET 83 N 1.97 4.72 0.17 2.79 1.75 -1.17 0.16 119.30 129.70 1v86 s MET 83 Ca 0.02 1.35 0.08 0.00 -1.25 0.00 0.00 55.69 55.89 1v86 s MET 83 Cb -0.17 -3.30 -0.04 0.00 2.84 0.00 0.00 34.83 34.16 1v86 s MET 83 CO -0.13 0.46 -0.17 0.08 -0.65 0.00 0.00 175.02 174.61 1v86 s VAL 84 N -0.88 1.77 0.03 10.11 1.01 0.12 -3.73 120.40 128.83 1v86 s VAL 84 Ca 0.40 -1.99 0.01 0.00 0.00 0.00 0.00 61.98 60.41 1v86 s VAL 84 Cb -0.24 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 1v86 s VAL 84 CO 0.29 -0.40 -0.05 -0.69 0.00 0.00 0.00 175.10 174.25 1v86 s VAL 85 N -2.30 0.32 0.00 2.92 1.01 -1.26 -4.47 120.40 116.61 1v86 s VAL 85 Ca 0.17 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1v86 s VAL 85 Cb -0.04 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.93 1v86 s VAL 85 CO 0.07 -0.36 0.00 0.61 0.00 0.00 0.00 175.10 175.41 1v86 n GLY 86 N 1.76 -0.27 1.01 4.51 0.00 -1.26 -3.67 105.19 107.26 1v86 n GLY 86 Ca -0.22 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.58 -3.41 1.61 2.88 -1.26 -5.06 113.62 106.80 1v86 n SER 87 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1v86 n SER 87 Cb 0.00 -0.79 -0.10 0.00 -0.75 0.00 0.00 64.21 62.57 1v86 n SER 87 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1v86 s THR 88 N 0.00 -0.42 -0.57 2.46 -1.32 -1.26 -4.97 115.64 109.56 1v86 s THR 88 Ca 0.00 -0.37 -0.15 0.00 -1.21 0.00 0.00 61.69 59.95 1v86 s THR 88 Cb 0.00 -0.92 0.02 0.00 -1.51 0.00 0.00 72.50 70.10 1v86 s THR 88 CO 0.00 -0.38 0.64 -0.38 -2.21 0.00 0.00 174.62 172.29 1v86 n ILE 89 N 5.32 -7.88 -1.08 5.08 5.41 -1.26 -4.72 119.36 120.23 1v86 n ILE 89 Ca -0.03 0.28 0.14 0.00 1.00 0.00 0.00 62.75 64.15 1v86 n ILE 89 Cb 0.47 -5.60 -0.05 0.00 -0.71 0.00 0.00 39.64 33.76 1v86 n ILE 89 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1v86 n SER 90 N -1.00 -6.49 -3.97 4.38 7.64 -1.26 -5.05 113.62 107.88 1v86 n SER 90 Ca -0.03 0.79 -0.09 0.00 1.01 0.00 0.00 58.87 60.55 1v86 n SER 90 Cb 0.56 -3.51 -0.05 0.00 -1.01 0.00 0.00 64.21 60.20 1v86 n SER 90 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1v86 s GLY 91 N -6.68 0.45 0.86 0.23 0.00 -1.26 -4.92 107.32 96.00 1v86 s GLY 91 Ca 0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 44.72 43.80 1v86 s GLY 91 CO 0.00 -0.58 1.12 2.56 0.00 0.00 0.00 173.10 176.20 1v86 s PRO 92 N -4.00 1.57 0.00 2.90 0.04 -1.26 -5.06 135.00 129.19 1v86 s PRO 92 Ca 0.20 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.69 1v86 s PRO 92 Cb -0.01 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1v86 s PRO 92 CO 0.07 -1.94 0.00 0.43 0.04 0.00 0.00 177.00 175.61 1v86 n SER 93 N -3.61 0.00 -3.63 6.66 7.64 -1.26 -5.07 113.62 114.34 1v86 n SER 93 Ca 0.07 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.83 1v86 n SER 93 Cb 0.58 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.71 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 0.00 -0.79 0.00 6.43 0.15 -1.26 -5.32 113.70 112.90 1v86 s SER 94 Ca 0.00 1.45 0.25 0.00 0.70 0.00 0.00 55.95 58.35 1v86 s SER 94 Cb 0.00 1.43 0.46 0.00 -1.71 0.00 0.00 66.02 66.20 1v86 s SER 94 CO 0.00 -0.24 1.41 0.61 1.20 0.00 0.00 173.24 176.22