#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 -0.19 0.00 1.61 1.04 -1.26 -5.18 113.70 109.72 1v86 s SER 2 Ca 0.00 0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.76 1v86 s SER 2 Cb 0.00 0.81 0.00 0.00 0.10 0.00 0.00 66.02 66.93 1v86 s SER 2 CO 0.00 -0.05 0.00 -0.24 0.98 0.00 0.00 173.24 173.93 1v86 n SER 3 N 2.74 0.00 -3.67 7.02 2.88 -1.26 -5.19 113.62 116.15 1v86 n SER 3 Ca -0.15 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.27 1v86 n SER 3 Cb 0.57 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.97 1v86 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1v86 s GLY 4 N 0.00 -0.26 0.00 0.46 0.00 -1.26 -5.17 107.32 101.10 1v86 s GLY 4 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.91 1v86 s GLY 4 CO 0.00 -0.06 0.00 1.44 0.00 0.00 0.00 173.10 174.48 1v86 n SER 5 N 0.33 0.00 -3.59 1.64 7.64 -1.26 -5.19 113.62 113.19 1v86 n SER 5 Ca -0.18 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.72 1v86 n SER 5 Cb 0.61 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1v86 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1v86 s SER 6 N 0.00 -0.04 0.00 6.43 1.04 -1.26 -5.17 113.70 114.71 1v86 s SER 6 Ca 0.00 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1v86 s SER 6 Cb 0.00 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1v86 s SER 6 CO 0.00 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1v86 n GLY 7 N -0.48 3.47 3.11 7.32 0.00 -1.26 -5.17 105.19 112.19 1v86 n GLY 7 Ca -0.09 -0.59 -0.18 0.00 0.00 0.00 0.00 46.02 45.17 1v86 n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1v86 s ASP 8 N 0.00 1.39 -0.39 1.61 1.01 -1.26 -5.07 116.67 113.95 1v86 s ASP 8 Ca 0.00 -0.46 0.00 0.00 0.71 0.00 0.00 52.55 52.81 1v86 s ASP 8 Cb 0.00 -0.07 0.25 0.00 1.01 0.00 0.00 42.92 44.12 1v86 s ASP 8 CO 0.00 -0.02 1.08 0.00 0.21 0.00 0.00 175.17 176.44 1v86 n ALA 9 N 1.85 -2.78 -2.00 5.23 0.00 -1.26 -5.15 120.51 116.40 1v86 n ALA 9 Ca -0.19 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1v86 n ALA 9 Cb 0.55 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.49 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 1.72 1.91 3.11 0.00 0.00 -1.26 -5.13 105.19 105.54 1v86 n GLY 10 Ca 0.06 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.21 0.31 -0.02 0.00 -1.26 -5.11 107.32 101.03 1v86 s GLY 11 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 44.72 45.88 1v86 s GLY 11 CO 0.00 2.07 0.00 0.61 0.00 0.00 0.00 173.10 175.78 1v86 n GLY 12 N 5.26 -3.59 2.95 0.20 0.00 -1.26 -5.03 105.19 103.73 1v86 n GLY 12 Ca -0.09 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.77 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 -4.26 -0.15 0.00 1.61 0.11 -1.26 -4.97 120.40 111.49 1v86 s VAL 13 Ca 0.00 0.23 0.00 0.00 -2.93 0.00 0.00 61.98 59.28 1v86 s VAL 13 Cb 0.00 -0.32 0.00 0.00 -1.53 0.00 0.00 36.38 34.53 1v86 s VAL 13 CO 0.00 0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.47 1v86 n GLY 14 N 4.63 0.12 3.47 6.54 0.00 -1.26 -5.10 105.19 113.58 1v86 n GLY 14 Ca -0.18 0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1v86 n GLY 14 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1v86 s LYS 15 N 0.00 0.57 0.22 1.61 -2.85 -1.26 -5.14 119.74 112.89 1v86 s LYS 15 Ca 0.00 1.00 -0.31 0.00 -1.00 0.00 0.00 55.97 55.67 1v86 s LYS 15 Cb 0.00 0.08 -0.10 0.00 -2.06 0.00 0.00 37.83 35.75 1v86 s LYS 15 CO 0.00 -0.15 1.54 -2.00 0.10 0.00 0.00 175.35 174.84 1v86 s GLU 16 N 1.43 4.21 1.04 1.78 2.12 -1.26 -4.95 118.70 123.07 1v86 s GLU 16 Ca -0.09 2.40 -0.17 0.00 0.36 0.00 0.00 54.97 57.47 1v86 s GLU 16 Cb -0.06 -3.11 0.03 0.00 0.26 0.00 0.00 34.13 31.25 1v86 s GLU 16 CO -0.15 -0.56 -0.09 1.28 -0.54 0.00 0.00 175.26 175.20 1v86 n LEU 17 N 3.09 -2.00 -4.89 2.70 7.99 -1.26 -4.92 117.00 117.71 1v86 n LEU 17 Ca 0.11 0.07 -0.34 0.00 -0.01 0.00 0.00 56.01 55.83 1v86 n LEU 17 Cb 0.39 -0.98 -0.05 0.00 -0.11 0.00 0.00 43.42 42.67 1v86 n LEU 17 CO 0.62 -3.47 -0.08 0.54 -1.51 0.00 0.00 177.39 173.49 1v86 s VAL 18 N -2.25 5.32 -0.06 4.08 0.11 0.52 -4.77 120.40 123.36 1v86 s VAL 18 Ca 0.53 0.11 -0.27 0.00 -2.93 0.00 0.00 61.98 59.42 1v86 s VAL 18 Cb -0.13 -3.56 -0.03 0.00 -1.53 0.00 0.00 36.38 31.13 1v86 s VAL 18 CO 0.68 0.35 0.87 -0.62 -3.33 0.00 0.00 175.10 173.05 1v86 s ASP 19 N -1.75 7.17 0.03 3.54 -1.08 -1.26 -2.12 116.67 121.20 1v86 s ASP 19 Ca 0.28 1.42 0.01 0.00 -0.52 0.00 0.00 52.55 53.74 1v86 s ASP 19 Cb -0.13 -2.50 -0.02 0.00 -1.46 0.00 0.00 42.92 38.81 1v86 s ASP 19 CO 0.17 -0.25 -0.05 -0.76 0.52 0.00 0.00 175.17 174.79 1v86 s LEU 20 N 1.20 2.21 -0.27 -1.34 1.43 -0.93 0.12 118.68 121.10 1v86 s LEU 20 Ca 0.45 -0.46 -0.06 0.00 -1.03 0.00 0.00 54.13 53.03 1v86 s LEU 20 Cb -0.19 -0.07 0.00 0.00 0.03 0.00 0.00 46.19 45.97 1v86 s LEU 20 CO 0.21 -0.20 0.05 -0.54 0.23 0.00 0.00 176.35 176.10 1v86 s LYS 21 N -1.31 3.16 -0.90 1.70 1.02 -1.16 -1.94 119.74 120.31 1v86 s LYS 21 Ca -0.10 -0.80 -0.21 0.00 0.02 0.00 0.00 55.97 54.87 1v86 s LYS 21 Cb -0.09 -3.28 0.09 0.00 -0.52 0.00 0.00 37.83 34.04 1v86 s LYS 21 CO -0.00 -0.38 1.21 0.42 -0.92 0.00 0.00 175.35 175.68 1v86 s ILE 22 N 1.49 4.36 -0.32 2.17 -1.09 -0.92 -2.37 121.20 124.52 1v86 s ILE 22 Ca 0.03 -1.02 -0.14 0.00 -2.23 0.00 0.00 60.65 57.28 1v86 s ILE 22 Cb -0.17 -4.86 -0.02 0.00 -1.58 0.00 0.00 42.46 35.83 1v86 s ILE 22 CO 0.01 -1.65 0.33 -0.63 -1.23 0.00 0.00 174.94 171.77 1v86 s ILE 23 N 3.78 5.19 -0.28 2.92 1.01 0.48 -3.06 121.20 131.24 1v86 s ILE 23 Ca 0.35 0.17 0.21 0.00 0.00 0.00 0.00 60.65 61.38 1v86 s ILE 23 Cb -0.05 -3.75 0.49 0.00 0.01 0.00 0.00 42.46 39.16 1v86 s ILE 23 CO -0.05 0.01 1.06 1.87 0.00 0.00 0.00 174.94 177.83 1v86 n TRP 24 N 5.31 1.25 0.00 3.97 -0.00 -1.26 0.36 117.44 127.07 1v86 n TRP 24 Ca -0.10 -2.37 0.00 0.00 -0.00 0.00 0.00 57.50 55.03 1v86 n TRP 24 Cb 0.50 -0.28 0.00 0.00 -0.00 0.00 0.00 31.31 31.53 1v86 n TRP 24 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1v86 n ASN 25 N -0.41 0.00 0.00 5.87 5.03 -1.26 -4.92 115.26 119.57 1v86 n ASN 25 Ca 0.08 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.53 1v86 n ASN 25 Cb 0.81 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.57 1v86 n ASN 25 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 1v86 n LYS 26 N 0.00 0.00 -1.00 3.52 2.85 -1.26 -5.15 118.16 117.12 1v86 n LYS 26 Ca 0.00 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.95 1v86 n LYS 26 Cb 0.00 0.00 0.14 0.00 -0.65 0.00 0.00 35.03 34.52 1v86 n LYS 26 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1v86 s THR 27 N 0.00 2.67 -0.29 0.58 2.01 -1.26 -4.99 115.64 114.35 1v86 s THR 27 Ca 0.00 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.22 1v86 s THR 27 Cb 0.00 -2.51 0.09 0.00 0.01 0.00 0.00 72.50 70.09 1v86 s THR 27 CO 0.00 -0.28 0.06 -1.59 -0.69 0.00 0.00 174.62 172.12 1v86 s LYS 28 N -4.79 1.01 -0.55 4.92 -2.85 -1.26 -3.99 119.74 112.23 1v86 s LYS 28 Ca 0.64 -1.17 -0.25 0.00 -1.00 0.00 0.00 55.97 54.19 1v86 s LYS 28 Cb -0.20 -2.34 0.04 0.00 -2.06 0.00 0.00 37.83 33.27 1v86 s LYS 28 CO 0.58 -0.88 1.00 -1.01 0.10 0.00 0.00 175.35 175.13 1v86 s HIS 29 N 1.46 2.76 -0.38 1.78 3.76 -1.17 -4.79 115.29 118.71 1v86 s HIS 29 Ca 0.07 0.10 -0.28 0.00 -0.15 0.00 0.00 55.06 54.80 1v86 s HIS 29 Cb -0.18 -4.17 -0.01 0.00 1.11 0.00 0.00 32.58 29.33 1v86 s HIS 29 CO -0.17 -1.39 1.70 -0.51 -0.85 0.00 0.00 174.74 173.51 1v86 s ASP 30 N 2.84 5.96 0.11 1.40 1.01 -1.26 -2.16 116.67 124.57 1v86 s ASP 30 Ca 0.34 1.09 0.09 0.00 0.71 0.00 0.00 52.55 54.77 1v86 s ASP 30 Cb -0.11 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 1v86 s ASP 30 CO 0.21 -1.69 -0.23 0.68 0.21 0.00 0.00 175.17 174.35 1v86 s VAL 31 N 6.67 1.90 -0.21 -1.27 -7.23 -0.82 -4.99 120.40 114.44 1v86 s VAL 31 Ca 0.74 -1.61 -0.05 0.00 -1.81 0.00 0.00 61.98 59.24 1v86 s VAL 31 Cb -0.19 -1.71 -0.02 0.00 0.56 0.00 0.00 36.38 35.02 1v86 s VAL 31 CO 0.32 -0.00 0.00 -1.59 -0.31 0.00 0.00 175.10 173.52 1v86 s LYS 32 N -1.95 3.58 0.02 4.82 -2.85 -1.26 -2.20 119.74 119.90 1v86 s LYS 32 Ca 0.09 -0.53 -0.04 0.00 -1.00 0.00 0.00 55.97 54.49 1v86 s LYS 32 Cb -0.10 -3.11 -0.01 0.00 -2.06 0.00 0.00 37.83 32.55 1v86 s LYS 32 CO 0.05 -0.07 0.06 0.14 0.10 0.00 0.00 175.35 175.63 1v86 s VAL 33 N 1.21 0.11 0.35 1.79 -7.23 -0.90 -4.88 120.40 110.84 1v86 s VAL 33 Ca 0.03 -0.87 -0.26 0.00 -1.81 0.00 0.00 61.98 59.07 1v86 s VAL 33 Cb -0.15 -0.47 -0.09 0.00 0.56 0.00 0.00 36.38 36.23 1v86 s VAL 33 CO 0.01 -0.48 1.07 -2.16 -0.31 0.00 0.00 175.10 173.23 1v86 s PRO 34 N -1.68 4.37 0.22 4.82 0.04 -1.26 0.19 135.00 141.70 1v86 s PRO 34 Ca -0.13 1.63 0.22 0.00 0.04 0.00 0.00 61.00 62.75 1v86 s PRO 34 Cb -0.07 -2.82 0.92 0.00 0.04 0.00 0.00 34.50 32.57 1v86 s PRO 34 CO -0.01 0.02 1.66 -0.11 0.04 0.00 0.00 177.00 178.60 1v86 n LEU 35 N 0.48 0.54 0.26 -3.56 7.94 -1.26 -1.52 117.00 119.88 1v86 n LEU 35 Ca 0.02 0.64 0.17 0.00 -1.11 0.00 0.00 56.01 55.73 1v86 n LEU 35 Cb 0.48 -0.58 0.68 0.00 0.53 0.00 0.00 43.42 44.52 1v86 n LEU 35 CO 0.49 -0.53 0.98 -0.78 -1.11 0.00 0.00 177.39 176.44 1v86 h ASP 36 N 0.00 0.00 -2.06 1.96 1.82 -1.99 -2.87 116.42 113.27 1v86 h ASP 36 Ca 0.00 0.00 -0.62 0.00 -0.39 0.00 0.00 57.03 56.02 1v86 h ASP 36 Cb 0.32 0.00 0.06 0.00 0.68 0.00 0.00 39.33 40.39 1v86 h ASP 36 CO 0.00 0.00 0.62 -1.20 -1.61 0.00 0.00 179.24 177.05 1v86 n SER 37 N -3.00 2.40 -4.76 2.28 7.64 -0.57 -4.77 113.62 112.83 1v86 n SER 37 Ca 0.01 1.11 -0.39 0.00 1.01 0.00 0.00 58.87 60.60 1v86 n SER 37 Cb 0.29 -1.32 -0.04 0.00 -1.01 0.00 0.00 64.21 62.13 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 0.59 3.50 0.53 0.44 -4.23 -1.26 -1.89 115.64 113.31 1v86 s THR 38 Ca 0.80 1.40 0.46 0.00 -1.18 0.00 0.00 61.69 63.17 1v86 s THR 38 Cb -0.79 -3.85 0.68 0.00 1.34 0.00 0.00 72.50 69.87 1v86 s THR 38 CO 0.43 0.25 1.45 0.61 -0.54 0.00 0.00 174.62 176.83 1v86 n GLY 39 N 0.94 -0.92 0.08 3.99 0.00 -0.51 0.18 105.19 108.95 1v86 n GLY 39 Ca 0.01 0.63 -0.15 0.00 0.00 0.00 0.00 46.02 46.51 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 0.05 -1.20 1.61 0.87 -1.83 -3.30 113.55 109.75 1v86 h SER 40 Ca 0.86 -0.98 0.44 0.00 -1.23 0.00 0.00 61.79 60.87 1v86 h SER 40 Cb 3.52 -0.02 -0.15 0.00 -0.44 0.00 0.00 62.40 65.32 1v86 h SER 40 CO -0.01 1.05 0.74 -0.62 -0.53 0.00 0.00 176.83 177.46 1v86 n GLU 41 N -4.56 -0.04 -0.34 2.24 1.02 0.48 0.10 120.64 119.54 1v86 n GLU 41 Ca -0.11 1.23 0.10 0.00 -0.02 0.00 0.00 57.16 58.36 1v86 n GLU 41 Cb 0.52 -2.35 0.21 0.00 -0.02 0.00 0.00 31.44 29.80 1v86 n GLU 41 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1v86 h LEU 42 N 0.00 -0.69 -0.15 -4.62 3.38 -1.56 0.27 115.31 111.95 1v86 h LEU 42 Ca 0.83 0.29 0.02 0.00 0.09 0.00 0.00 57.88 59.10 1v86 h LEU 42 Cb 2.52 0.54 -0.03 0.00 0.09 0.00 0.00 40.66 43.79 1v86 h LEU 42 CO -0.54 -0.34 -0.16 0.11 0.09 0.00 0.00 178.44 177.60 1v86 h LYS 43 N 0.01 -0.09 -0.03 1.13 1.79 0.43 1.69 116.57 121.50 1v86 h LYS 43 Ca 0.53 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 59.02 1v86 h LYS 43 Cb 0.96 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.63 1v86 h LYS 43 CO -0.96 -0.06 0.14 1.96 -1.08 0.00 0.00 179.45 179.45 1v86 h GLN 44 N -0.09 0.00 0.05 3.15 1.08 -0.95 1.64 115.11 119.98 1v86 h GLN 44 Ca 0.03 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 57.00 1v86 h GLN 44 Cb 0.16 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 1v86 h GLN 44 CO -0.19 0.00 -1.03 -0.22 -0.95 0.00 0.00 178.83 176.44 1v86 h LYS 45 N 0.00 0.17 0.06 1.46 1.63 0.40 -2.75 116.57 117.54 1v86 h LYS 45 Ca 0.01 -0.24 -0.29 0.00 -0.85 0.00 0.00 60.65 59.28 1v86 h LYS 45 Cb 0.29 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 1v86 h LYS 45 CO -0.00 1.06 -1.56 0.82 -3.45 0.00 0.00 179.45 176.32 1v86 h ILE 46 N 0.07 0.81 -0.10 2.00 2.04 0.63 -3.33 117.51 119.63 1v86 h ILE 46 Ca -0.07 -2.27 0.03 0.00 1.00 0.00 0.00 64.86 63.56 1v86 h ILE 46 Cb 1.74 2.39 -0.00 0.00 -0.74 0.00 0.00 36.82 40.20 1v86 h ILE 46 CO 0.16 0.58 0.21 -0.74 0.00 0.00 0.00 178.15 178.36 1v86 h HIS 47 N -0.51 0.00 0.00 1.37 -0.00 0.20 1.69 115.15 117.91 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 1.64 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.05 1v86 h HIS 47 CO 0.09 0.00 0.00 0.77 -0.00 0.00 0.00 177.93 178.79 1v86 h SER 48 N 0.00 0.00 0.00 3.26 0.02 -1.60 -1.82 113.55 113.42 1v86 h SER 48 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1v86 h SER 48 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1v86 h SER 48 CO -0.00 0.00 -0.28 -0.38 -1.14 0.00 0.00 176.83 175.03 1v86 n ILE 49 N -2.47 1.23 0.06 3.27 5.41 0.36 -4.68 119.36 122.53 1v86 n ILE 49 Ca 0.04 0.32 0.12 0.00 1.00 0.00 0.00 62.75 64.22 1v86 n ILE 49 Cb 0.40 -1.77 0.58 0.00 -0.71 0.00 0.00 39.64 38.14 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 -0.28 0.92 0.00 1.39 1.35 0.18 -3.45 112.91 113.03 1v86 h THR 50 Ca 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1v86 h THR 50 Cb 0.28 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 67.40 1v86 h THR 50 CO 0.00 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 1v86 n GLY 51 N -1.55 0.36 3.96 5.82 0.00 -0.68 -4.78 105.19 108.32 1v86 n GLY 51 Ca 0.05 0.00 -0.23 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 3.37 0.44 0.99 2.34 -1.26 -4.65 118.68 119.91 1v86 s LEU 52 Ca 0.00 0.20 -0.22 0.00 0.06 0.00 0.00 54.13 54.17 1v86 s LEU 52 Cb 0.00 -3.06 -0.09 0.00 -0.56 0.00 0.00 46.19 42.48 1v86 s LEU 52 CO 0.00 -1.01 1.05 -2.16 -1.06 0.00 0.00 176.35 173.17 1v86 s PRO 53 N -4.74 3.99 0.18 1.48 0.04 -1.26 -4.55 135.00 130.14 1v86 s PRO 53 Ca 0.54 1.44 0.03 0.00 0.04 0.00 0.00 61.00 63.05 1v86 s PRO 53 Cb -0.10 -2.33 0.06 0.00 0.04 0.00 0.00 34.50 32.17 1v86 s PRO 53 CO 0.39 -0.28 1.42 -1.00 0.04 0.00 0.00 177.00 177.58 1v86 h PRO 54 N 2.05 0.20 -0.13 0.56 0.13 -1.96 -2.99 132.00 129.86 1v86 h PRO 54 Ca -0.49 -0.20 0.04 0.00 -0.87 0.00 0.00 66.00 64.48 1v86 h PRO 54 Cb 1.22 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1v86 h PRO 54 CO 0.61 0.90 0.11 0.00 -0.23 0.00 0.00 178.00 179.39 1v86 h ALA 55 N 1.03 1.94 -0.65 -0.56 0.00 -2.02 0.31 119.26 119.31 1v86 h ALA 55 Ca -0.03 -0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.47 1v86 h ALA 55 Cb 1.40 0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.96 1v86 h ALA 55 CO 0.12 -0.18 0.06 -1.33 0.00 0.00 0.00 179.25 177.92 1v86 n MET 56 N -4.20 2.43 -4.18 0.00 2.81 -1.13 -4.99 117.12 107.86 1v86 n MET 56 Ca 0.00 -3.40 -0.26 0.00 -1.81 0.00 0.00 57.70 52.23 1v86 n MET 56 Cb 0.23 -2.06 -0.07 0.00 -0.71 0.00 0.00 33.22 30.61 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 -3.45 2.51 -0.44 0.03 -0.21 0.10 -4.53 119.66 113.67 1v86 s GLN 57 Ca 0.52 -1.06 0.03 0.00 0.02 0.00 0.00 55.36 54.86 1v86 s GLN 57 Cb 0.44 -2.42 0.13 0.00 1.00 0.00 0.00 33.01 32.16 1v86 s GLN 57 CO 0.02 0.46 0.21 0.21 -2.12 0.00 0.00 175.29 174.07 1v86 s LYS 58 N -3.00 1.45 -0.73 2.91 2.47 -1.26 -4.95 119.74 116.62 1v86 s LYS 58 Ca 0.28 -2.08 -0.24 0.00 -1.56 0.00 0.00 55.97 52.38 1v86 s LYS 58 Cb -0.09 -2.67 0.06 0.00 -1.46 0.00 0.00 37.83 33.67 1v86 s LYS 58 CO 0.20 -1.11 1.10 0.08 0.16 0.00 0.00 175.35 175.78 1v86 s VAL 59 N 0.35 4.15 -0.17 4.02 1.01 -1.26 -4.35 120.40 124.15 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 -4.78 0.08 0.00 0.00 0.00 0.00 36.38 31.44 1v86 s VAL 59 CO -0.03 -1.61 0.36 -0.04 0.00 0.00 0.00 175.10 173.78 1v86 s MET 60 N 4.51 0.26 -0.31 2.72 1.00 -1.26 -3.94 119.30 122.28 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 -0.12 0.17 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 2.44 2.49 -0.89 -0.03 5.04 -1.26 -3.78 117.35 121.35 1v86 s TYR 61 Ca -0.01 -2.16 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 4.62 -1.75 0.00 4.97 5.02 -1.26 -4.69 118.16 125.07 1v86 n LYS 62 Ca -0.01 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 1v86 n LYS 62 Cb 0.42 -4.85 0.00 0.00 -0.02 0.00 0.00 35.03 30.58 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 -0.42 3.83 3.67 0.72 0.00 -1.26 -5.12 105.19 106.60 1v86 n GLY 63 Ca -0.10 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 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 3.01 -4.27 0.99 7.99 -1.26 -4.67 117.00 118.79 1v86 n LEU 64 Ca 0.00 1.20 -0.37 0.00 -0.01 0.00 0.00 56.01 56.83 1v86 n LEU 64 Cb 0.00 -1.42 -0.13 0.00 -0.11 0.00 0.00 43.42 41.76 1v86 n LEU 64 CO 0.00 -0.76 -0.30 -0.69 -1.51 0.00 0.00 177.39 174.12 1v86 s VAL 65 N -1.08 3.59 -0.23 4.08 1.01 -1.25 -4.87 120.40 121.65 1v86 s VAL 65 Ca 0.56 -1.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.25 1v86 s VAL 65 Cb -0.61 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 1v86 s VAL 65 CO 0.62 -0.02 1.31 -2.16 0.00 0.00 0.00 175.10 174.85 1v86 s PRO 66 N 1.40 4.06 0.00 2.72 0.04 -1.26 -4.87 135.00 137.09 1v86 s PRO 66 Ca -0.00 1.48 0.15 0.00 0.04 0.00 0.00 61.00 62.67 1v86 s PRO 66 Cb -0.18 -3.84 0.70 0.00 0.04 0.00 0.00 34.50 31.22 1v86 s PRO 66 CO 0.01 -0.94 1.46 0.39 0.04 0.00 0.00 177.00 177.96 1v86 n GLU 67 N 7.01 0.10 0.00 4.56 1.02 -1.26 -1.32 120.64 130.75 1v86 n GLU 67 Ca 0.15 0.20 0.14 0.00 -0.02 0.00 0.00 57.16 57.62 1v86 n GLU 67 Cb 0.46 -1.50 0.57 0.00 -0.02 0.00 0.00 31.44 30.95 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 -1.40 0.63 -4.10 1.62 -0.08 -1.26 -3.82 116.55 108.14 1v86 n ASP 68 Ca 0.05 -0.72 -0.19 0.00 -1.51 0.00 0.00 54.79 52.43 1v86 n ASP 68 Cb 0.15 -0.02 -0.13 0.00 2.34 0.00 0.00 41.12 43.45 1v86 n ASP 68 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1v86 s LYS 69 N -2.43 0.83 0.89 -0.67 1.02 -0.43 -4.99 119.74 113.95 1v86 s LYS 69 Ca 0.29 -0.63 -0.12 0.00 0.02 0.00 0.00 55.97 55.54 1v86 s LYS 69 Cb 0.20 -0.80 0.12 0.00 -0.52 0.00 0.00 37.83 36.83 1v86 s LYS 69 CO 0.47 0.20 1.11 0.95 -0.92 0.00 0.00 175.35 177.16 1v86 s THR 70 N -0.72 2.50 0.11 2.17 -4.23 -1.26 -1.43 115.64 112.78 1v86 s THR 70 Ca 0.01 0.16 -0.30 0.00 -1.18 0.00 0.00 61.69 60.38 1v86 s THR 70 Cb -0.07 -2.81 -0.10 0.00 1.34 0.00 0.00 72.50 70.85 1v86 s THR 70 CO 0.01 -0.21 1.61 -0.07 -0.54 0.00 0.00 174.62 175.41 1v86 h LEU 71 N -1.44 -1.01 -1.99 4.79 3.38 -1.42 1.63 115.31 119.25 1v86 h LEU 71 Ca -0.50 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1v86 h LEU 71 Cb 1.30 0.37 0.00 0.00 0.09 0.00 0.00 40.66 42.42 1v86 h LEU 71 CO 0.59 -0.46 0.03 -0.09 0.09 0.00 0.00 178.44 178.60 1v86 h ARG 72 N -0.63 0.00 0.06 1.13 2.43 -1.73 0.80 114.38 116.44 1v86 h ARG 72 Ca 0.01 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.83 1v86 h ARG 72 Cb 0.63 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.14 1v86 h ARG 72 CO -0.16 0.00 -2.01 0.39 -1.51 0.00 0.00 179.97 176.68 1v86 n GLU 73 N -2.57 0.70 -0.03 0.20 1.02 0.77 -3.87 120.64 116.86 1v86 n GLU 73 Ca -0.02 0.24 0.10 0.00 -0.02 0.00 0.00 57.16 57.45 1v86 n GLU 73 Cb 0.08 -1.70 0.49 0.00 -0.02 0.00 0.00 31.44 30.29 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 -3.27 0.07 -1.51 -3.67 -6.64 0.52 -4.87 119.36 99.98 1v86 n ILE 74 Ca -0.29 -0.11 -0.00 0.00 -1.77 0.00 0.00 62.75 60.57 1v86 n ILE 74 Cb 1.05 -0.07 0.00 0.00 -1.44 0.00 0.00 39.64 39.18 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 -0.43 -0.02 -4.16 6.28 5.02 0.08 -5.03 118.16 119.91 1v86 n LYS 75 Ca 0.15 0.51 -0.16 0.00 -2.02 0.00 0.00 58.31 56.79 1v86 n LYS 75 Cb 0.15 -1.53 -0.12 0.00 -0.02 0.00 0.00 35.03 33.50 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 -1.27 0.78 0.00 -0.18 1.01 -0.26 -4.95 120.40 115.53 1v86 s VAL 76 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 60.97 1v86 s VAL 76 Cb -0.00 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.61 1v86 s VAL 76 CO 0.01 -0.21 0.00 0.35 0.00 0.00 0.00 175.10 175.25 1v86 n THR 77 N 1.69 0.00 -2.69 3.92 -2.24 -1.26 -4.48 114.28 109.21 1v86 n THR 77 Ca -0.20 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.15 1v86 n THR 77 Cb 0.55 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.75 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 0.21 6.51 0.00 3.42 0.01 -1.26 -3.32 113.70 119.26 1v86 s SER 78 Ca 0.00 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.43 1v86 s SER 78 Cb 0.00 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1v86 s SER 78 CO 0.00 -1.24 0.00 0.61 0.41 0.00 0.00 173.24 173.02 1v86 n GLY 79 N 4.96 1.88 3.65 3.44 0.00 0.33 -4.85 105.19 114.61 1v86 n GLY 79 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 3.59 0.42 4.61 0.00 -1.21 -4.89 121.76 122.28 1v86 s ALA 80 Ca 0.00 0.15 -0.24 0.00 0.00 0.00 0.00 51.96 51.88 1v86 s ALA 80 Cb 0.00 -3.63 -0.08 0.00 0.00 0.00 0.00 23.12 19.41 1v86 s ALA 80 CO 0.00 -1.29 1.10 0.21 0.00 0.00 0.00 175.76 175.78 1v86 s LYS 81 N 3.51 4.01 -0.08 0.00 2.47 -1.26 -2.98 119.74 125.40 1v86 s LYS 81 Ca 0.48 1.64 -0.02 0.00 -1.56 0.00 0.00 55.97 56.50 1v86 s LYS 81 Cb -0.16 -2.51 0.04 0.00 -1.46 0.00 0.00 37.83 33.74 1v86 s LYS 81 CO 0.12 -0.30 0.03 0.42 0.16 0.00 0.00 175.35 175.79 1v86 s ILE 82 N -1.60 0.18 -0.31 5.43 -1.09 -1.00 -4.65 121.20 118.16 1v86 s ILE 82 Ca 0.60 0.13 -0.08 0.00 -2.23 0.00 0.00 60.65 59.07 1v86 s ILE 82 Cb -0.25 -0.45 0.01 0.00 -1.58 0.00 0.00 42.46 40.18 1v86 s ILE 82 CO 0.31 0.13 0.12 -0.04 -1.23 0.00 0.00 174.94 174.24 1v86 s MET 83 N 2.05 3.11 0.17 2.79 -1.94 -1.24 -0.39 119.30 123.85 1v86 s MET 83 Ca 0.04 -0.86 0.03 0.00 -1.71 0.00 0.00 55.69 53.19 1v86 s MET 83 Cb -0.13 -3.49 -0.03 0.00 2.01 0.00 0.00 34.83 33.18 1v86 s MET 83 CO -0.05 -0.48 0.29 0.08 -0.01 0.00 0.00 175.02 174.84 1v86 s VAL 84 N 1.54 5.21 0.07 -6.03 1.01 0.16 -4.36 120.40 118.00 1v86 s VAL 84 Ca 0.03 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1v86 s VAL 84 Cb -0.18 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1v86 s VAL 84 CO 0.04 -0.16 -0.08 0.54 0.00 0.00 0.00 175.10 175.45 1v86 s VAL 85 N -1.81 0.67 -4.17 2.92 0.11 -1.26 -4.54 120.40 112.31 1v86 s VAL 85 Ca 0.34 -1.51 0.00 0.00 -2.93 0.00 0.00 61.98 57.88 1v86 s VAL 85 Cb -0.10 -1.16 0.00 0.00 -1.53 0.00 0.00 36.38 33.59 1v86 s VAL 85 CO 0.28 -0.60 0.00 0.61 -3.33 0.00 0.00 175.10 172.06 1v86 n GLY 86 N 0.73 0.80 3.35 6.54 0.00 -1.26 -4.34 105.19 111.01 1v86 n GLY 86 Ca -0.18 -1.83 -0.29 0.00 0.00 0.00 0.00 46.02 43.73 1v86 n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1v86 s SER 87 N -4.00 3.13 0.25 1.61 1.04 -1.26 -5.12 113.70 109.35 1v86 s SER 87 Ca 0.00 -0.67 -0.30 0.00 0.48 0.00 0.00 55.95 55.46 1v86 s SER 87 Cb 0.00 -0.23 -0.09 0.00 0.10 0.00 0.00 66.02 65.80 1v86 s SER 87 CO 0.00 0.19 1.12 -0.89 0.98 0.00 0.00 173.24 174.64 1v86 s THR 88 N -0.97 3.53 0.17 2.02 2.01 -1.26 -4.69 115.64 116.45 1v86 s THR 88 Ca 0.12 1.47 0.00 0.00 0.31 0.00 0.00 61.69 63.59 1v86 s THR 88 Cb -0.10 -3.93 0.00 0.00 0.01 0.00 0.00 72.50 68.48 1v86 s THR 88 CO 0.04 0.32 0.00 -0.38 -0.69 0.00 0.00 174.62 173.91 1v86 n ILE 89 N 1.54 -5.91 -2.73 1.82 -0.00 -1.26 -5.07 119.36 107.76 1v86 n ILE 89 Ca 0.00 1.69 -0.02 0.00 -0.00 0.00 0.00 62.75 64.42 1v86 n ILE 89 Cb 0.45 -3.12 0.02 0.00 -0.00 0.00 0.00 39.64 36.99 1v86 n ILE 89 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.55 176.11 1v86 s SER 90 N -0.98 -0.59 -0.31 4.38 0.01 -1.26 -5.07 113.70 109.87 1v86 s SER 90 Ca 0.00 -0.63 -0.02 0.00 1.31 0.00 0.00 55.95 56.61 1v86 s SER 90 Cb 0.00 0.77 0.19 0.00 0.21 0.00 0.00 66.02 67.19 1v86 s SER 90 CO 0.00 -0.03 0.82 -0.83 0.41 0.00 0.00 173.24 173.61 1v86 s GLY 91 N 1.13 -1.18 -1.21 3.44 0.00 -1.26 -4.55 107.32 103.69 1v86 s GLY 91 Ca 0.23 1.36 -0.08 0.00 0.00 0.00 0.00 44.72 46.23 1v86 s GLY 91 CO -0.10 3.92 2.45 -1.55 0.00 0.00 0.00 173.10 177.82 1v86 n PRO 92 N 4.95 2.74 -0.21 2.90 -0.04 -1.26 -4.88 135.00 139.19 1v86 n PRO 92 Ca 0.08 -1.81 0.03 0.00 -0.04 0.00 0.00 63.50 61.76 1v86 n PRO 92 Cb 0.57 -2.64 -0.01 0.00 -0.04 0.00 0.00 33.50 31.39 1v86 n PRO 92 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1v86 n SER 93 N 4.15 -5.26 0.06 3.54 7.64 -1.26 -4.91 113.62 117.58 1v86 n SER 93 Ca 0.59 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.70 1v86 n SER 93 Cb 0.19 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 1v86 n SER 93 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1v86 n SER 94 N -2.50 0.22 0.00 6.43 2.88 -1.26 -5.23 113.62 114.15 1v86 n SER 94 Ca 0.00 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1v86 n SER 94 Cb 0.10 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 1v86 n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42