#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 -0.38 -0.11 1.61 1.04 -1.26 -5.18 113.70 109.42 1v86 s SER 2 Ca 0.00 0.42 -0.33 0.00 0.48 0.00 0.00 55.95 56.52 1v86 s SER 2 Cb 0.00 0.32 0.13 0.00 0.10 0.00 0.00 66.02 66.58 1v86 s SER 2 CO 0.00 -0.35 1.29 -0.55 0.98 0.00 0.00 173.24 174.61 1v86 s SER 3 N -1.08 -0.07 0.00 7.02 0.15 -1.26 -5.17 113.70 113.29 1v86 s SER 3 Ca -0.02 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1v86 s SER 3 Cb -0.01 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1v86 s SER 3 CO 0.02 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1v86 n GLY 4 N -0.32 2.10 3.60 9.45 0.00 -1.26 -5.19 105.19 113.58 1v86 n GLY 4 Ca -0.04 0.35 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 1v86 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1v86 s SER 5 N 0.00 -0.36 -0.02 1.61 1.04 -1.26 -5.18 113.70 109.53 1v86 s SER 5 Ca 0.00 0.48 -0.30 0.00 0.48 0.00 0.00 55.95 56.61 1v86 s SER 5 Cb 0.00 0.41 0.11 0.00 0.10 0.00 0.00 66.02 66.65 1v86 s SER 5 CO 0.00 -0.26 1.17 -0.94 0.98 0.00 0.00 173.24 174.19 1v86 s SER 6 N -0.74 -0.12 0.00 7.02 1.04 -1.26 -5.15 113.70 114.49 1v86 s SER 6 Ca 0.00 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1v86 s SER 6 Cb -0.02 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1v86 s SER 6 CO -0.02 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.39 1v86 n GLY 7 N -0.38 2.58 3.64 7.32 0.00 -1.26 -5.18 105.19 111.91 1v86 n GLY 7 Ca -0.06 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 1v86 n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1v86 s ASP 8 N 0.00 -0.64 0.02 1.61 -4.77 -1.26 -5.17 116.67 106.45 1v86 s ASP 8 Ca 0.00 1.13 -0.03 0.00 -3.30 0.00 0.00 52.55 50.35 1v86 s ASP 8 Cb 0.00 1.20 -0.01 0.00 -1.09 0.00 0.00 42.92 43.02 1v86 s ASP 8 CO 0.00 -0.19 0.03 0.00 0.70 0.00 0.00 175.17 175.71 1v86 s ALA 9 N 0.85 0.01 0.00 2.11 0.00 -1.26 -5.12 121.76 118.34 1v86 s ALA 9 Ca -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.42 1v86 s ALA 9 Cb -0.05 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.23 1v86 s ALA 9 CO -0.10 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1v86 n GLY 10 N 1.38 -0.48 3.57 0.00 0.00 -1.26 -5.14 105.19 103.26 1v86 n GLY 10 Ca -0.23 -2.25 0.03 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.47 0.06 -0.02 0.00 -1.26 -5.19 107.32 100.44 1v86 s GLY 11 Ca 0.00 1.03 -0.24 0.00 0.00 0.00 0.00 44.72 45.51 1v86 s GLY 11 CO 0.00 0.21 0.57 -0.32 0.00 0.00 0.00 173.10 173.56 1v86 s GLY 12 N -2.92 -0.50 -0.15 0.20 0.00 -1.26 -4.91 107.32 97.78 1v86 s GLY 12 Ca 0.15 0.68 -0.02 0.00 0.00 0.00 0.00 44.72 45.53 1v86 s GLY 12 CO -0.06 0.36 -0.08 0.14 0.00 0.00 0.00 173.10 173.45 1v86 s VAL 13 N -2.62 3.41 0.00 1.40 1.01 -1.26 -4.78 120.40 117.56 1v86 s VAL 13 Ca -0.04 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1v86 s VAL 13 Cb -0.01 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1v86 s VAL 13 CO -0.03 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1v86 n GLY 14 N 3.69 2.19 0.00 4.51 0.00 -1.26 -4.79 105.19 109.53 1v86 n GLY 14 Ca -0.18 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 0.00 -2.67 1.61 4.76 -1.26 -5.11 118.16 115.49 1v86 n LYS 15 Ca 0.00 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.01 1v86 n LYS 15 Cb 0.00 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.17 1v86 n LYS 15 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1v86 s GLU 16 N -1.20 3.97 0.52 1.97 2.12 -1.26 -4.73 118.70 120.09 1v86 s GLU 16 Ca 0.00 0.90 -0.18 0.00 0.36 0.00 0.00 54.97 56.05 1v86 s GLU 16 Cb 0.00 -3.77 -0.15 0.00 0.26 0.00 0.00 34.13 30.47 1v86 s GLU 16 CO 0.00 -0.98 -0.14 1.28 -0.54 0.00 0.00 175.26 174.89 1v86 n LEU 17 N 6.99 -3.67 -4.82 2.70 7.99 -1.26 -4.89 117.00 120.03 1v86 n LEU 17 Ca 0.11 0.64 -0.34 0.00 -0.01 0.00 0.00 56.01 56.41 1v86 n LEU 17 Cb 0.48 -0.85 -0.06 0.00 -0.11 0.00 0.00 43.42 42.87 1v86 n LEU 17 CO 0.61 -4.80 0.53 0.54 -1.51 0.00 0.00 177.39 172.76 1v86 s VAL 18 N -2.00 4.48 0.01 4.08 0.11 0.47 -4.69 120.40 122.87 1v86 s VAL 18 Ca 0.56 1.35 -0.24 0.00 -2.93 0.00 0.00 61.98 60.72 1v86 s VAL 18 Cb -0.49 -3.73 -0.05 0.00 -1.53 0.00 0.00 36.38 30.58 1v86 s VAL 18 CO 0.67 -0.08 0.74 -1.81 -3.33 0.00 0.00 175.10 171.28 1v86 s ASP 19 N -1.99 7.14 -0.02 3.54 1.11 -1.26 -1.94 116.67 123.25 1v86 s ASP 19 Ca 0.54 1.36 -0.07 0.00 0.18 0.00 0.00 52.55 54.56 1v86 s ASP 19 Cb -0.13 -2.45 0.01 0.00 1.07 0.00 0.00 42.92 41.42 1v86 s ASP 19 CO 0.18 -0.01 0.15 -0.76 1.18 0.00 0.00 175.17 175.91 1v86 s LEU 20 N 0.16 1.48 -0.29 1.23 1.43 -1.18 0.18 118.68 121.70 1v86 s LEU 20 Ca 0.38 -0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.33 1v86 s LEU 20 Cb -0.20 0.66 -0.03 0.00 0.03 0.00 0.00 46.19 46.65 1v86 s LEU 20 CO 0.21 -0.28 0.18 -0.54 0.23 0.00 0.00 176.35 176.15 1v86 s LYS 21 N -0.95 3.71 -1.02 1.70 1.02 -0.84 -3.54 119.74 119.83 1v86 s LYS 21 Ca -0.10 -0.48 -0.21 0.00 0.02 0.00 0.00 55.97 55.20 1v86 s LYS 21 Cb -0.06 -3.63 0.09 0.00 -0.52 0.00 0.00 37.83 33.71 1v86 s LYS 21 CO 0.01 -0.28 1.35 0.42 -0.92 0.00 0.00 175.35 175.93 1v86 s ILE 22 N 1.71 4.30 0.04 2.17 -1.09 -1.19 -1.15 121.20 125.98 1v86 s ILE 22 Ca 0.06 -1.25 -0.30 0.00 -2.23 0.00 0.00 60.65 56.94 1v86 s ILE 22 Cb -0.16 -4.96 -0.04 0.00 -1.58 0.00 0.00 42.46 35.72 1v86 s ILE 22 CO 0.09 -1.77 0.96 -0.63 -1.23 0.00 0.00 174.94 172.36 1v86 s ILE 23 N 3.88 4.72 -0.30 2.92 -1.09 0.32 -3.45 121.20 128.20 1v86 s ILE 23 Ca 0.41 2.03 -0.02 0.00 -2.23 0.00 0.00 60.65 60.85 1v86 s ILE 23 Cb -0.02 -4.30 0.19 0.00 -1.58 0.00 0.00 42.46 36.75 1v86 s ILE 23 CO -0.08 0.23 0.70 0.86 -1.23 0.00 0.00 174.94 175.42 1v86 s TRP 24 N 0.56 -1.44 0.00 3.97 -0.00 -1.21 -0.48 118.94 120.35 1v86 s TRP 24 Ca 0.49 1.25 0.00 0.00 -0.00 0.00 0.00 56.10 57.84 1v86 s TRP 24 Cb -0.22 0.40 0.00 0.00 -0.00 0.00 0.00 33.47 33.65 1v86 s TRP 24 CO 0.28 -0.81 0.00 0.09 -0.00 0.00 0.00 176.95 176.52 1v86 n ASN 25 N 5.41 0.00 -1.84 5.86 3.02 -1.26 -1.73 115.26 124.71 1v86 n ASN 25 Ca 0.01 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.54 1v86 n ASN 25 Cb 0.53 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.75 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 0.58 -4.70 3.52 4.76 -1.26 -5.14 118.16 115.91 1v86 n LYS 26 Ca 0.00 -0.62 -0.29 0.00 -2.87 0.00 0.00 58.31 54.53 1v86 n LYS 26 Cb 0.00 0.28 -0.14 0.00 -1.84 0.00 0.00 35.03 33.33 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 0.05 2.11 -0.28 -0.18 -4.23 -0.71 -5.11 115.64 107.29 1v86 s THR 27 Ca 0.04 -1.49 0.01 0.00 -1.18 0.00 0.00 61.69 59.08 1v86 s THR 27 Cb 0.19 -1.83 0.08 0.00 1.34 0.00 0.00 72.50 72.28 1v86 s THR 27 CO -0.05 0.25 0.01 -1.59 -0.54 0.00 0.00 174.62 172.70 1v86 s LYS 28 N -1.50 1.39 -0.42 3.99 -2.85 -1.26 -3.29 119.74 115.80 1v86 s LYS 28 Ca 0.12 -1.29 -0.11 0.00 -1.00 0.00 0.00 55.97 53.69 1v86 s LYS 28 Cb -0.10 -2.65 0.07 0.00 -2.06 0.00 0.00 37.83 33.09 1v86 s LYS 28 CO 0.03 -0.79 0.28 -1.01 0.10 0.00 0.00 175.35 173.96 1v86 s HIS 29 N 1.29 3.30 -0.48 1.78 3.76 -1.22 -4.94 115.29 118.77 1v86 s HIS 29 Ca 0.03 -1.30 -0.28 0.00 -0.15 0.00 0.00 55.06 53.36 1v86 s HIS 29 Cb -0.19 -2.90 -0.01 0.00 1.11 0.00 0.00 32.58 30.60 1v86 s HIS 29 CO -0.11 -0.80 1.71 0.16 -0.85 0.00 0.00 174.74 174.85 1v86 s ASP 30 N 2.10 5.75 -0.01 1.40 -4.77 -1.26 -3.20 116.67 116.68 1v86 s ASP 30 Ca 0.03 0.72 0.06 0.00 -3.30 0.00 0.00 52.55 50.05 1v86 s ASP 30 Cb -0.22 -2.53 -0.01 0.00 -1.09 0.00 0.00 42.92 39.06 1v86 s ASP 30 CO 0.04 -1.93 -0.18 0.68 0.70 0.00 0.00 175.17 174.48 1v86 s VAL 31 N 7.41 1.44 -0.25 2.11 -7.23 -1.23 -5.07 120.40 117.58 1v86 s VAL 31 Ca 0.68 -0.81 -0.05 0.00 -1.81 0.00 0.00 61.98 59.99 1v86 s VAL 31 Cb -0.16 -1.20 -0.00 0.00 0.56 0.00 0.00 36.38 35.57 1v86 s VAL 31 CO 0.27 0.38 0.01 -1.59 -0.31 0.00 0.00 175.10 173.87 1v86 s LYS 32 N -0.50 3.30 0.11 4.82 -2.85 -1.26 -3.08 119.74 120.28 1v86 s LYS 32 Ca 0.07 -0.70 0.06 0.00 -1.00 0.00 0.00 55.97 54.40 1v86 s LYS 32 Cb -0.07 -3.18 -0.04 0.00 -2.06 0.00 0.00 37.83 32.49 1v86 s LYS 32 CO -0.00 -0.29 -0.15 0.14 0.10 0.00 0.00 175.35 175.15 1v86 s VAL 33 N 1.50 1.34 0.48 1.79 -7.23 -0.82 -4.82 120.40 112.63 1v86 s VAL 33 Ca 0.04 -1.62 -0.21 0.00 -1.81 0.00 0.00 61.98 58.39 1v86 s VAL 33 Cb -0.15 -1.45 -0.09 0.00 0.56 0.00 0.00 36.38 35.25 1v86 s VAL 33 CO -0.00 -0.34 1.04 -2.16 -0.31 0.00 0.00 175.10 173.33 1v86 s PRO 34 N -2.40 3.84 0.51 4.82 0.04 -1.26 0.18 135.00 140.72 1v86 s PRO 34 Ca 0.07 1.38 0.30 0.00 0.04 0.00 0.00 61.00 62.79 1v86 s PRO 34 Cb -0.06 -2.14 1.10 0.00 0.04 0.00 0.00 34.50 33.43 1v86 s PRO 34 CO 0.03 -0.40 1.89 1.25 0.04 0.00 0.00 177.00 179.81 1v86 h LEU 35 N 1.67 0.00 -0.38 -3.56 5.85 -1.94 -2.12 115.31 114.82 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 0.59 0.05 0.00 -0.67 -0.34 0.00 0.00 178.44 178.07 1v86 n ASP 36 N -3.15 0.29 -4.70 1.25 2.03 -1.26 -3.02 116.55 107.99 1v86 n ASP 36 Ca 0.01 0.58 -0.43 0.00 0.52 0.00 0.00 54.79 55.48 1v86 n ASP 36 Cb 0.37 -0.64 -0.03 0.00 -0.72 0.00 0.00 41.12 40.10 1v86 n ASP 36 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1v86 n SER 37 N -1.83 3.95 -4.76 1.67 7.64 -0.80 -4.88 113.62 114.61 1v86 n SER 37 Ca 0.02 1.03 -0.40 0.00 1.01 0.00 0.00 58.87 60.53 1v86 n SER 37 Cb 0.16 -1.55 -0.04 0.00 -1.01 0.00 0.00 64.21 61.77 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 1.79 3.42 0.60 0.44 -4.23 -1.26 -2.44 115.64 113.97 1v86 s THR 38 Ca 0.78 1.40 0.27 0.00 -1.18 0.00 0.00 61.69 62.97 1v86 s THR 38 Cb -0.51 -3.88 0.38 0.00 1.34 0.00 0.00 72.50 69.83 1v86 s THR 38 CO 0.35 0.31 1.57 1.23 -0.54 0.00 0.00 174.62 177.54 1v86 h GLY 39 N 3.64 0.00 1.30 3.99 0.00 -1.61 1.47 103.07 111.87 1v86 h GLY 39 Ca -0.47 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.56 1v86 h GLY 39 CO 0.66 0.00 -1.24 0.23 0.00 0.00 0.00 176.54 176.19 1v86 h SER 40 N 0.00 0.82 -0.25 0.19 0.87 -1.82 -3.22 113.55 110.14 1v86 h SER 40 Ca 0.34 -0.76 -0.02 0.00 -1.23 0.00 0.00 61.79 60.12 1v86 h SER 40 Cb 2.08 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 63.76 1v86 h SER 40 CO -0.00 1.57 0.10 -0.33 -0.53 0.00 0.00 176.83 177.64 1v86 h GLU 41 N 0.25 0.44 -0.84 2.24 5.08 0.17 -2.78 114.58 119.14 1v86 h GLU 41 Ca -0.18 -0.06 0.13 0.00 -1.00 0.00 0.00 59.36 58.26 1v86 h GLU 41 Cb 1.91 -0.08 -0.14 0.00 0.50 0.00 0.00 28.75 30.94 1v86 h GLU 41 CO 0.23 0.39 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.18 1v86 h LEU 42 N 0.44 -1.38 -0.45 1.33 3.38 -1.38 1.58 115.31 118.82 1v86 h LEU 42 Ca 0.11 0.28 0.08 0.00 0.09 0.00 0.00 57.88 58.44 1v86 h LEU 42 Cb 0.13 0.70 -0.10 0.00 0.09 0.00 0.00 40.66 41.49 1v86 h LEU 42 CO -0.01 -0.29 -0.40 0.11 0.09 0.00 0.00 178.44 177.94 1v86 h LYS 43 N -0.07 -0.27 0.00 1.13 6.56 -1.66 1.79 116.57 124.06 1v86 h LYS 43 Ca 0.29 0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.89 1v86 h LYS 43 Cb 0.57 0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 32.29 1v86 h LYS 43 CO -0.87 -0.18 -0.05 1.96 -2.06 0.00 0.00 179.45 178.25 1v86 h GLN 44 N -0.28 0.00 0.03 3.15 1.08 -0.44 1.14 115.11 119.80 1v86 h GLN 44 Ca 0.16 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.14 1v86 h GLN 44 Cb 0.57 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.98 1v86 h GLN 44 CO -0.60 0.05 -1.05 -0.22 -0.95 0.00 0.00 178.83 176.07 1v86 h LYS 45 N 0.00 0.07 0.11 1.46 1.63 0.98 -2.49 116.57 118.33 1v86 h LYS 45 Ca -0.00 -0.11 -0.32 0.00 -0.85 0.00 0.00 60.65 59.36 1v86 h LYS 45 Cb 0.37 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 1v86 h LYS 45 CO 0.01 1.04 -1.71 0.82 -3.45 0.00 0.00 179.45 176.16 1v86 h ILE 46 N 0.02 0.80 -0.05 2.00 2.04 0.33 -3.34 117.51 119.31 1v86 h ILE 46 Ca -0.04 -2.35 0.01 0.00 1.00 0.00 0.00 64.86 63.48 1v86 h ILE 46 Cb 1.80 2.53 -0.00 0.00 -0.74 0.00 0.00 36.82 40.41 1v86 h ILE 46 CO 0.15 0.75 0.03 -0.74 0.00 0.00 0.00 178.15 178.34 1v86 h HIS 47 N -0.20 0.02 0.00 1.37 -0.00 0.12 1.08 115.15 117.55 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 1.85 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 29.25 1v86 h HIS 47 CO 0.10 0.01 0.00 0.43 -0.00 0.00 0.00 177.93 178.47 1v86 n SER 48 N -4.53 0.33 0.00 3.26 7.64 -0.94 -0.90 113.62 118.49 1v86 n SER 48 Ca -0.02 0.59 -0.03 0.00 1.01 0.00 0.00 58.87 60.42 1v86 n SER 48 Cb 0.12 -0.65 -0.01 0.00 -1.01 0.00 0.00 64.21 62.66 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 -1.87 1.27 -0.25 0.44 5.41 0.13 -4.67 119.36 119.82 1v86 n ILE 49 Ca 0.03 0.31 0.18 0.00 1.00 0.00 0.00 62.75 64.27 1v86 n ILE 49 Cb 0.19 -1.82 0.48 0.00 -0.71 0.00 0.00 39.64 37.78 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 -0.32 0.70 0.00 1.39 1.35 0.87 -3.45 112.91 113.44 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 0.32 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 66.93 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 -1.49 2.93 3.81 5.82 0.00 -0.08 -5.01 105.19 111.17 1v86 n GLY 51 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 2.35 0.40 0.99 2.34 -1.26 -4.97 118.68 118.53 1v86 s LEU 52 Ca 0.00 1.11 -0.24 0.00 0.06 0.00 0.00 54.13 55.06 1v86 s LEU 52 Cb 0.00 -3.60 -0.09 0.00 -0.56 0.00 0.00 46.19 41.94 1v86 s LEU 52 CO 0.00 -2.18 1.05 -2.16 -1.06 0.00 0.00 176.35 172.00 1v86 s PRO 53 N -5.25 4.15 0.32 1.48 0.04 -1.26 -4.58 135.00 129.90 1v86 s PRO 53 Ca 0.62 1.52 0.16 0.00 0.04 0.00 0.00 61.00 63.34 1v86 s PRO 53 Cb -0.14 -2.54 0.41 0.00 0.04 0.00 0.00 34.50 32.27 1v86 s PRO 53 CO 0.53 -0.15 1.61 -1.00 0.04 0.00 0.00 177.00 178.02 1v86 h PRO 54 N 2.49 0.00 0.00 0.56 0.13 -1.91 -2.25 132.00 131.01 1v86 h PRO 54 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1v86 h PRO 54 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1v86 h PRO 54 CO 0.62 0.49 0.01 0.00 -0.23 0.00 0.00 178.00 178.89 1v86 h ALA 55 N 1.51 1.01 0.00 -0.56 0.00 -1.98 -1.99 119.26 117.25 1v86 h ALA 55 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 1v86 h ALA 55 Cb 1.12 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1v86 h ALA 55 CO 0.06 -0.01 -1.78 -1.33 0.00 0.00 0.00 179.25 176.19 1v86 n MET 56 N -2.49 1.32 -1.69 0.00 2.81 -1.09 -5.01 117.12 110.97 1v86 n MET 56 Ca -0.02 0.04 -0.40 0.00 -1.81 0.00 0.00 57.70 55.50 1v86 n MET 56 Cb 0.06 -1.28 0.02 0.00 -0.71 0.00 0.00 33.22 31.30 1v86 n MET 56 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1v86 n GLN 57 N -2.65 1.77 -3.88 0.03 6.02 -0.75 -4.56 117.38 113.36 1v86 n GLN 57 Ca -0.21 0.64 -0.32 0.00 -0.01 0.00 0.00 57.00 57.09 1v86 n GLN 57 Cb 0.82 -2.37 -0.13 0.00 1.02 0.00 0.00 30.24 29.58 1v86 n GLN 57 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1v86 s LYS 58 N -2.33 2.09 -0.50 -1.09 2.20 -1.26 -4.91 119.74 113.94 1v86 s LYS 58 Ca 0.64 -2.46 -0.28 0.00 -0.36 0.00 0.00 55.97 53.51 1v86 s LYS 58 Cb -0.49 -3.44 0.02 0.00 -1.51 0.00 0.00 37.83 32.40 1v86 s LYS 58 CO 0.56 -1.10 1.37 0.08 -0.36 0.00 0.00 175.35 175.89 1v86 s VAL 59 N 0.01 3.89 -0.17 4.02 1.01 -1.26 -4.25 120.40 123.65 1v86 s VAL 59 Ca 0.16 0.83 -0.06 0.00 0.00 0.00 0.00 61.98 62.91 1v86 s VAL 59 Cb -0.23 -4.40 0.08 0.00 0.00 0.00 0.00 36.38 31.83 1v86 s VAL 59 CO -0.02 -1.03 0.36 -0.04 0.00 0.00 0.00 175.10 174.37 1v86 s MET 60 N 5.17 0.26 -0.29 2.72 1.00 -1.24 -4.05 119.30 122.85 1v86 s MET 60 Ca 0.54 0.92 0.01 0.00 0.00 0.00 0.00 55.69 57.16 1v86 s MET 60 Cb -0.11 0.18 0.09 0.00 0.00 0.00 0.00 34.83 34.99 1v86 s MET 60 CO 0.28 -0.26 0.05 -0.47 0.00 0.00 0.00 175.02 174.62 1v86 s TYR 61 N 2.49 2.37 -0.69 -0.03 5.04 -1.26 -3.46 117.35 121.81 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 -1.92 0.00 4.97 5.02 -1.26 -4.66 118.16 124.97 1v86 n LYS 62 Ca -0.03 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 1v86 n LYS 62 Cb 0.43 -4.76 0.00 0.00 -0.02 0.00 0.00 35.03 30.68 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 -0.43 4.11 3.66 0.72 0.00 -1.26 -5.12 105.19 106.87 1v86 n GLY 63 Ca -0.08 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 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 3.02 -4.48 0.99 7.99 -1.26 -4.70 117.00 118.55 1v86 n LEU 64 Ca 0.00 1.17 -0.39 0.00 -0.01 0.00 0.00 56.01 56.77 1v86 n LEU 64 Cb 0.00 -1.42 -0.11 0.00 -0.11 0.00 0.00 43.42 41.78 1v86 n LEU 64 CO 0.00 -0.87 -0.17 -0.69 -1.51 0.00 0.00 177.39 174.15 1v86 s VAL 65 N -1.12 4.93 0.23 4.08 1.01 -1.26 -4.88 120.40 123.38 1v86 s VAL 65 Ca 0.58 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 1v86 s VAL 65 Cb -0.59 -3.53 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 1v86 s VAL 65 CO 0.60 0.02 1.10 -2.16 0.00 0.00 0.00 175.10 174.67 1v86 s PRO 66 N 1.66 4.62 0.07 2.72 0.04 -1.26 -4.95 135.00 137.90 1v86 s PRO 66 Ca 0.05 1.76 0.05 0.00 0.04 0.00 0.00 61.00 62.90 1v86 s PRO 66 Cb -0.17 -3.24 -0.23 0.00 0.04 0.00 0.00 34.50 30.90 1v86 s PRO 66 CO 0.08 0.15 1.08 0.93 0.04 0.00 0.00 177.00 179.28 1v86 h GLU 67 N 4.50 0.07 0.00 4.56 5.08 -1.97 -3.22 114.58 123.61 1v86 h GLU 67 Ca -0.45 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 57.76 1v86 h GLU 67 Cb 1.21 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1v86 h GLU 67 CO 0.70 0.95 -0.13 0.22 -1.00 0.00 0.00 179.01 179.75 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 -0.11 0.00 -0.68 0.00 -0.39 0.00 0.00 57.03 55.84 1v86 h ASP 68 Cb 1.88 0.00 -0.23 0.00 0.68 0.00 0.00 39.33 41.66 1v86 h ASP 68 CO 0.13 0.13 -0.75 -0.54 -1.61 0.00 0.00 179.24 176.60 1v86 s LYS 69 N -4.17 2.69 0.80 0.28 -0.14 -1.21 -4.96 119.74 113.02 1v86 s LYS 69 Ca -0.03 -0.66 -0.12 0.00 -1.36 0.00 0.00 55.97 53.80 1v86 s LYS 69 Cb 0.13 -2.46 0.07 0.00 -1.68 0.00 0.00 37.83 33.89 1v86 s LYS 69 CO 0.59 0.57 1.16 0.95 -0.76 0.00 0.00 175.35 177.87 1v86 s THR 70 N -0.59 2.25 0.14 2.17 -4.23 -1.26 -2.85 115.64 111.27 1v86 s THR 70 Ca 0.08 0.08 -0.31 0.00 -1.18 0.00 0.00 61.69 60.37 1v86 s THR 70 Cb -0.11 -3.07 -0.08 0.00 1.34 0.00 0.00 72.50 70.58 1v86 s THR 70 CO 0.01 -0.11 1.56 -0.07 -0.54 0.00 0.00 174.62 175.47 1v86 h LEU 71 N -1.01 -1.68 -1.69 4.79 3.38 -1.56 2.02 115.31 119.55 1v86 h LEU 71 Ca -0.46 0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.78 1v86 h LEU 71 Cb 1.32 0.69 -0.01 0.00 0.09 0.00 0.00 40.66 42.76 1v86 h LEU 71 CO 0.65 -0.41 0.49 -0.09 0.09 0.00 0.00 178.44 179.17 1v86 h ARG 72 N -0.42 0.00 0.01 1.13 2.43 -1.82 0.79 114.38 116.50 1v86 h ARG 72 Ca 0.09 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.92 1v86 h ARG 72 Cb 0.61 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.11 1v86 h ARG 72 CO -0.55 0.00 -2.08 0.39 -1.51 0.00 0.00 179.97 176.22 1v86 n GLU 73 N -3.04 0.67 -0.00 0.20 -0.58 0.42 -3.92 120.64 114.38 1v86 n GLU 73 Ca 0.02 0.16 0.13 0.00 -0.42 0.00 0.00 57.16 57.04 1v86 n GLU 73 Cb 0.57 -1.65 0.78 0.00 -0.57 0.00 0.00 31.44 30.57 1v86 n GLU 73 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1v86 n ILE 74 N -2.98 0.00 -1.79 -3.67 -6.64 0.58 -4.88 119.36 99.99 1v86 n ILE 74 Ca -0.27 -0.00 -0.01 0.00 -1.77 0.00 0.00 62.75 60.70 1v86 n ILE 74 Cb 1.09 -0.40 0.00 0.00 -1.44 0.00 0.00 39.64 38.89 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 -0.90 -0.35 -4.35 6.28 5.02 0.44 -5.02 118.16 119.28 1v86 n LYS 75 Ca 0.20 0.75 -0.28 0.00 -2.02 0.00 0.00 58.31 56.96 1v86 n LYS 75 Cb 0.09 -2.34 -0.11 0.00 -0.02 0.00 0.00 35.03 32.65 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 -2.29 2.66 0.33 -0.18 1.01 -0.91 -4.99 120.40 116.03 1v86 s VAL 76 Ca 0.02 -1.76 0.05 0.00 0.00 0.00 0.00 61.98 60.29 1v86 s VAL 76 Cb -0.01 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 1v86 s VAL 76 CO 0.15 -0.02 0.21 0.42 0.00 0.00 0.00 175.10 175.86 1v86 s THR 77 N -1.43 0.16 -0.65 3.92 -4.23 -1.26 -4.76 115.64 107.40 1v86 s THR 77 Ca 0.20 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.43 1v86 s THR 77 Cb -0.09 -2.47 0.03 0.00 1.34 0.00 0.00 72.50 71.31 1v86 s THR 77 CO 0.10 0.00 1.21 -0.55 -0.54 0.00 0.00 174.62 174.85 1v86 s SER 78 N -3.39 6.32 0.00 3.99 0.15 -1.26 -2.92 113.70 116.59 1v86 s SER 78 Ca 0.37 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.85 1v86 s SER 78 Cb 0.03 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1v86 s SER 78 CO 0.22 -1.62 0.00 0.61 1.20 0.00 0.00 173.24 173.65 1v86 n GLY 79 N 5.20 1.75 3.37 9.45 0.00 0.48 -4.83 105.19 120.61 1v86 n GLY 79 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1v86 n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v86 n ALA 80 N -0.53 -4.14 -2.46 4.61 0.00 -1.15 -4.75 120.51 112.09 1v86 n ALA 80 Ca 0.00 -1.59 -0.27 0.00 0.00 0.00 0.00 53.44 51.58 1v86 n ALA 80 Cb 0.00 -0.12 -0.13 0.00 0.00 0.00 0.00 19.45 19.20 1v86 n ALA 80 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1v86 s LYS 81 N -5.32 1.30 -0.09 0.00 2.20 -1.26 -1.98 119.74 114.59 1v86 s LYS 81 Ca 0.69 -1.22 -0.03 0.00 -0.36 0.00 0.00 55.97 55.06 1v86 s LYS 81 Cb -0.09 -1.65 0.04 0.00 -1.51 0.00 0.00 37.83 34.62 1v86 s LYS 81 CO 0.55 0.39 0.05 0.42 -0.36 0.00 0.00 175.35 176.40 1v86 s ILE 82 N -1.07 0.10 -0.15 5.43 -1.09 -0.30 -4.67 121.20 119.44 1v86 s ILE 82 Ca 0.10 0.11 -0.14 0.00 -2.23 0.00 0.00 60.65 58.49 1v86 s ILE 82 Cb -0.10 -0.44 -0.05 0.00 -1.58 0.00 0.00 42.46 40.29 1v86 s ILE 82 CO 0.05 0.07 0.30 -0.32 -1.23 0.00 0.00 174.94 173.81 1v86 s MET 83 N 2.07 4.24 0.07 2.79 1.75 -1.23 0.12 119.30 129.12 1v86 s MET 83 Ca 0.04 0.12 0.08 0.00 -1.25 0.00 0.00 55.69 54.68 1v86 s MET 83 Cb -0.13 -3.42 -0.03 0.00 2.84 0.00 0.00 34.83 34.09 1v86 s MET 83 CO -0.05 0.25 -0.22 0.08 -0.65 0.00 0.00 175.02 174.42 1v86 s VAL 84 N 0.42 1.83 0.29 10.11 1.01 0.37 -3.69 120.40 130.74 1v86 s VAL 84 Ca 0.17 -1.40 0.03 0.00 0.00 0.00 0.00 61.98 60.78 1v86 s VAL 84 Cb -0.13 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1v86 s VAL 84 CO 0.04 0.14 0.18 0.54 0.00 0.00 0.00 175.10 176.00 1v86 s VAL 85 N -0.94 0.19 0.00 2.92 0.11 -1.26 -4.21 120.40 117.20 1v86 s VAL 85 Ca 0.09 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.14 1v86 s VAL 85 Cb -0.09 -2.50 0.00 0.00 -1.53 0.00 0.00 36.38 32.25 1v86 s VAL 85 CO 0.03 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.41 1v86 n GLY 86 N -0.53 1.65 2.14 6.54 0.00 -1.26 -4.00 105.19 109.73 1v86 n GLY 86 Ca 0.03 -0.59 -0.02 0.00 0.00 0.00 0.00 46.02 45.44 1v86 n GLY 86 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v86 n SER 87 N 0.00 -4.15 -3.60 1.61 7.64 -1.26 -5.08 113.62 108.79 1v86 n SER 87 Ca 0.00 -0.11 -0.09 0.00 1.01 0.00 0.00 58.87 59.68 1v86 n SER 87 Cb 0.00 -2.60 -0.05 0.00 -1.01 0.00 0.00 64.21 60.55 1v86 n SER 87 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1v86 s THR 88 N -3.05 0.00 0.21 0.44 -1.32 -1.26 -5.03 115.64 105.62 1v86 s THR 88 Ca 0.06 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.55 1v86 s THR 88 Cb -0.01 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.92 1v86 s THR 88 CO 0.30 0.00 1.52 0.16 -2.21 0.00 0.00 174.62 174.38 1v86 h ILE 89 N 2.68 1.36 -6.24 5.08 -0.00 -1.99 -3.42 117.51 114.98 1v86 h ILE 89 Ca -0.19 -1.93 -0.04 0.00 -0.00 0.00 0.00 64.86 62.70 1v86 h ILE 89 Cb 1.17 1.93 0.00 0.00 -0.00 0.00 0.00 36.82 39.92 1v86 h ILE 89 CO 0.26 0.58 -1.00 -0.24 -0.00 0.00 0.00 178.15 177.76 1v86 n SER 90 N -3.90 -6.26 -1.64 2.16 2.88 -1.26 -4.59 113.62 101.01 1v86 n SER 90 Ca -0.03 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1v86 n SER 90 Cb 0.63 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 1v86 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v86 n GLY 91 N 1.11 -4.92 3.77 0.46 0.00 -1.26 -4.87 105.19 99.48 1v86 n GLY 91 Ca -0.01 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.39 0.11 -0.10 1.61 0.04 -1.26 -5.06 135.00 128.95 1v86 s PRO 92 Ca 0.00 -0.10 -0.00 0.00 0.04 0.00 0.00 61.00 60.94 1v86 s PRO 92 Cb 0.00 -1.76 0.02 0.00 0.04 0.00 0.00 34.50 32.81 1v86 s PRO 92 CO 0.00 -2.82 -0.06 -1.12 0.04 0.00 0.00 177.00 173.05 1v86 s SER 93 N -4.30 1.97 -0.40 6.66 0.01 -1.26 -5.06 113.70 111.32 1v86 s SER 93 Ca 0.70 -0.24 0.03 0.00 1.31 0.00 0.00 55.95 57.75 1v86 s SER 93 Cb -0.09 -0.73 0.18 0.00 0.21 0.00 0.00 66.02 65.60 1v86 s SER 93 CO 0.54 -0.13 0.76 -0.44 0.41 0.00 0.00 173.24 174.38 1v86 s SER 94 N 1.70 -1.18 0.00 2.44 0.01 -1.26 -5.31 113.70 110.09 1v86 s SER 94 Ca 0.04 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.59 1v86 s SER 94 Cb -0.13 1.52 0.00 0.00 0.21 0.00 0.00 66.02 67.62 1v86 s SER 94 CO -0.07 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.07