#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3laz n ALA 2 N 0.00 0.00 -2.53 0.00 0.00 -1.26 -4.37 120.51 112.35 3laz n ALA 2 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 3laz n ALA 2 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 3laz n ALA 2 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3laz n ASN 3 N 0.00 3.20 -4.76 0.00 5.15 -1.26 -5.07 115.26 112.51 3laz n ASN 3 Ca 0.00 -3.18 -0.39 0.00 -0.60 0.00 0.00 54.58 50.41 3laz n ASN 3 Cb 0.00 -0.48 0.01 0.00 -0.53 0.00 0.00 39.78 38.78 3laz n ASN 3 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3laz s ILE 4 N -4.36 2.43 -0.07 -1.44 1.01 -1.26 -5.02 121.20 112.50 3laz s ILE 4 Ca 0.38 0.37 -0.00 0.00 0.00 0.00 0.00 60.65 61.40 3laz s ILE 4 Cb 0.42 -3.21 0.02 0.00 0.01 0.00 0.00 42.46 39.70 3laz s ILE 4 CO -0.06 0.04 -0.04 -0.54 0.00 0.00 0.00 174.94 174.34 3laz s LYS 5 N -2.45 0.93 -0.22 2.79 1.02 -1.26 -5.11 119.74 115.44 3laz s LYS 5 Ca 0.61 -0.07 -0.05 0.00 0.02 0.00 0.00 55.97 56.48 3laz s LYS 5 Cb -0.39 -1.06 -0.02 0.00 -0.52 0.00 0.00 37.83 35.84 3laz s LYS 5 CO 0.49 -0.19 -0.01 -1.50 -0.92 0.00 0.00 175.35 173.22 3laz s ILE 6 N 1.45 3.70 -0.18 2.17 2.07 -1.26 -5.09 121.20 124.06 3laz s ILE 6 Ca -0.02 -0.39 -0.02 0.00 -1.41 0.00 0.00 60.65 58.81 3laz s ILE 6 Cb -0.13 -2.69 -0.00 0.00 0.13 0.00 0.00 42.46 39.76 3laz s ILE 6 CO -0.03 0.41 -0.10 -0.13 -1.91 0.00 0.00 174.94 173.18 3laz s ARG 7 N 1.33 3.30 0.46 3.50 1.81 -1.26 -5.11 118.95 122.98 3laz s ARG 7 Ca 0.04 -0.69 -0.19 0.00 -1.72 0.00 0.00 55.73 53.18 3laz s ARG 7 Cb -0.15 -2.79 -0.09 0.00 -0.45 0.00 0.00 34.95 31.47 3laz s ARG 7 CO -0.00 -0.06 0.95 1.14 -0.68 0.00 0.00 175.30 176.64 3laz s GLN 8 N 1.06 4.09 0.30 3.54 -2.07 -1.26 -5.02 119.66 120.31 3laz s GLN 8 Ca -0.00 1.01 -0.29 0.00 -1.82 0.00 0.00 55.36 54.26 3laz s GLN 8 Cb -0.15 -2.18 -0.13 0.00 -1.09 0.00 0.00 33.01 29.46 3laz s GLN 8 CO -0.02 -0.12 1.29 -1.91 -1.32 0.00 0.00 175.29 173.21 3laz n GLU 9 N -1.02 1.99 -1.62 9.60 2.13 -1.26 -4.83 120.64 125.63 3laz n GLU 9 Ca 0.06 0.70 -0.56 0.00 0.66 0.00 0.00 57.16 58.03 3laz n GLU 9 Cb 0.54 -2.28 -0.07 0.00 0.27 0.00 0.00 31.44 29.90 3laz n GLU 9 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3laz n THR 10 N 0.82 0.08 -2.28 6.31 -1.04 -1.26 -4.90 114.28 112.01 3laz n THR 10 Ca 0.07 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.05 61.67 3laz n THR 10 Cb 0.34 -0.76 -0.03 0.00 -1.82 0.00 0.00 70.33 68.06 3laz n THR 10 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3laz s PRO 11 N 1.39 4.48 0.00 -2.82 0.02 -1.26 -4.94 135.00 131.87 3laz s PRO 11 Ca 0.91 2.02 0.00 0.00 0.02 0.00 0.00 61.00 63.95 3laz s PRO 11 Cb -1.08 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 30.31 3laz s PRO 11 CO 0.56 -0.01 0.16 0.25 -0.33 0.00 0.00 177.00 177.63 3laz n THR 12 N 1.08 0.00 -4.21 0.99 -2.24 -1.26 -5.06 114.28 103.59 3laz n THR 12 Ca -0.00 -0.22 -0.16 0.00 -2.27 0.00 0.00 64.05 61.39 3laz n THR 12 Cb 0.43 1.40 -0.14 0.00 -2.10 0.00 0.00 70.33 69.91 3laz n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3laz s ALA 13 N -0.13 0.52 0.16 6.98 0.00 -1.26 -4.57 121.76 123.47 3laz s ALA 13 Ca 0.00 -0.30 -0.12 0.00 0.00 0.00 0.00 51.96 51.54 3laz s ALA 13 Cb 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.00 3laz s ALA 13 CO 0.00 0.12 0.36 -0.06 0.00 0.00 0.00 175.76 176.18 3laz s PHE 14 N -0.21 0.18 0.19 0.00 0.08 -0.56 -5.02 117.98 112.63 3laz s PHE 14 Ca 0.02 -0.54 0.11 0.00 0.12 0.00 0.00 56.93 56.64 3laz s PHE 14 Cb -0.03 0.10 -0.04 0.00 -0.57 0.00 0.00 43.02 42.48 3laz s PHE 14 CO -0.00 -0.76 -0.22 1.52 -0.10 0.00 0.00 175.22 175.65 3laz s TYR 15 N -3.92 2.17 -0.17 0.36 -0.85 -1.26 -0.68 117.35 113.01 3laz s TYR 15 Ca 0.13 -0.38 0.01 0.00 -0.52 0.00 0.00 57.07 56.30 3laz s TYR 15 Cb 0.02 -1.07 0.02 0.00 0.38 0.00 0.00 41.96 41.31 3laz s TYR 15 CO -0.03 0.46 -0.18 0.42 -1.52 0.00 0.00 175.55 174.71 3laz s ILE 16 N -1.79 1.86 -0.24 -3.49 1.01 -0.16 -4.92 121.20 113.46 3laz s ILE 16 Ca 0.20 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 3laz s ILE 16 Cb -0.07 -1.71 0.01 0.00 0.01 0.00 0.00 42.46 40.70 3laz s ILE 16 CO 0.09 0.50 -0.03 -0.75 0.00 0.00 0.00 174.94 174.75 3laz s LYS 17 N 1.37 3.09 -0.13 2.79 2.20 -1.26 -1.62 119.74 126.18 3laz s LYS 17 Ca 0.05 -0.82 -0.22 0.00 -0.36 0.00 0.00 55.97 54.62 3laz s LYS 17 Cb -0.13 -3.05 -0.20 0.00 -1.51 0.00 0.00 37.83 32.94 3laz s LYS 17 CO -0.12 -0.33 0.57 0.28 -0.36 0.00 0.00 175.35 175.39 3laz h VAL 18 N 5.92 1.36 -3.39 4.02 2.07 -1.98 -3.47 116.25 120.78 3laz h VAL 18 Ca -0.36 -2.04 -0.65 0.00 0.82 0.00 0.00 66.70 64.46 3laz h VAL 18 Cb 1.13 2.59 -0.16 0.00 -1.52 0.00 0.00 31.29 33.32 3laz h VAL 18 CO 0.59 0.46 -0.76 -2.28 0.02 0.00 0.00 177.57 175.60 3laz s HIS 19 N -2.09 2.59 0.37 1.57 5.65 -1.26 -4.98 115.29 117.14 3laz s HIS 19 Ca -0.15 -0.24 0.09 0.00 0.25 0.00 0.00 55.06 55.01 3laz s HIS 19 Cb -0.02 -1.32 0.84 0.00 -1.18 0.00 0.00 32.58 30.90 3laz s HIS 19 CO 0.53 0.45 1.91 -0.44 -0.65 0.00 0.00 174.74 176.54 3laz h ASP 20 N 3.37 0.60 0.90 9.88 5.19 -1.99 -2.06 116.42 132.31 3laz h ASP 20 Ca -0.48 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 3laz h ASP 20 Cb 1.18 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.59 3laz h ASP 20 CO 0.50 0.34 -0.33 0.35 -3.12 0.00 0.00 179.24 176.98 3laz n THR 21 N -4.52 0.20 -1.67 0.35 -2.24 -1.26 -4.92 114.28 100.22 3laz n THR 21 Ca 0.14 -0.13 -0.41 0.00 -2.27 0.00 0.00 64.05 61.39 3laz n THR 21 Cb 0.40 -0.19 0.01 0.00 -2.10 0.00 0.00 70.33 68.45 3laz n THR 21 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3laz n ASP 22 N -1.81 2.12 -0.63 3.42 8.00 -0.78 -4.88 116.55 122.00 3laz n ASP 22 Ca 0.05 1.07 0.07 0.00 0.71 0.00 0.00 54.79 56.69 3laz n ASP 22 Cb 0.38 -1.46 0.18 0.00 -0.02 0.00 0.00 41.12 40.21 3laz n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3laz n ASN 23 N 0.21 3.17 -4.14 -2.24 0.23 -0.55 -4.99 115.26 106.95 3laz n ASN 23 Ca 0.08 -2.52 -0.09 0.00 -0.53 0.00 0.00 54.58 51.52 3laz n ASN 23 Cb 0.40 -0.35 -0.10 0.00 -2.08 0.00 0.00 39.78 37.64 3laz n ASN 23 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 3laz s VAL 24 N -1.93 0.51 0.11 3.53 -7.23 -1.23 -0.69 120.40 113.47 3laz s VAL 24 Ca 0.29 -1.87 -0.06 0.00 -1.81 0.00 0.00 61.98 58.53 3laz s VAL 24 Cb 0.21 -1.60 -0.02 0.00 0.56 0.00 0.00 36.38 35.53 3laz s VAL 24 CO 0.10 -0.92 0.14 0.00 -0.31 0.00 0.00 175.10 174.12 3laz s ALA 25 N -3.70 0.16 -0.01 1.32 0.00 -0.77 -4.75 121.76 114.01 3laz s ALA 25 Ca 0.10 -0.95 -0.18 0.00 0.00 0.00 0.00 51.96 50.93 3laz s ALA 25 Cb 0.06 0.60 -0.06 0.00 0.00 0.00 0.00 23.12 23.72 3laz s ALA 25 CO -0.07 -0.51 0.50 0.42 0.00 0.00 0.00 175.76 176.10 3laz s ILE 26 N -3.93 4.96 -0.00 0.00 -1.09 -0.64 -0.31 121.20 120.19 3laz s ILE 26 Ca 0.12 1.04 -0.24 0.00 -2.23 0.00 0.00 60.65 59.34 3laz s ILE 26 Cb 0.06 -3.83 -0.05 0.00 -1.58 0.00 0.00 42.46 37.06 3laz s ILE 26 CO -0.06 0.49 0.73 -0.63 -1.23 0.00 0.00 174.94 174.24 3laz s ILE 27 N -0.55 4.87 -0.11 2.92 -1.09 -0.17 -0.99 121.20 126.08 3laz s ILE 27 Ca 0.27 1.53 0.01 0.00 -2.23 0.00 0.00 60.65 60.23 3laz s ILE 27 Cb -0.17 -4.07 0.02 0.00 -1.58 0.00 0.00 42.46 36.65 3laz s ILE 27 CO 0.15 0.33 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.37 3laz s VAL 28 N 0.25 1.33 0.00 2.92 1.01 0.14 -0.39 120.40 125.66 3laz s VAL 28 Ca 0.38 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.83 3laz s VAL 28 Cb -0.19 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 34.94 3laz s VAL 28 CO 0.21 0.41 0.00 -3.20 0.00 0.00 0.00 175.10 172.52 3laz n ASN 29 N 4.39 0.00 0.00 3.32 5.15 -1.26 -1.50 115.26 125.36 3laz n ASN 29 Ca -0.18 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.80 3laz n ASN 29 Cb 0.51 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.76 3laz n ASN 29 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3laz n ASP 30 N 0.00 0.00 -2.15 1.20 9.92 -1.26 -0.80 116.55 123.47 3laz n ASP 30 Ca 0.00 0.47 -0.25 0.00 -0.53 0.00 0.00 54.79 54.48 3laz n ASP 30 Cb 0.00 -0.17 0.12 0.00 -0.64 0.00 0.00 41.12 40.42 3laz n ASP 30 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3laz n ASN 31 N -1.84 5.37 -0.05 -2.24 3.02 -1.26 -4.63 115.26 113.63 3laz n ASN 31 Ca 0.00 -3.51 0.00 0.00 -0.03 0.00 0.00 54.58 51.05 3laz n ASN 31 Cb 0.00 -0.89 -0.00 0.00 -0.61 0.00 0.00 39.78 38.28 3laz n ASN 31 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3laz n GLY 32 N -0.80 -2.18 3.27 7.41 0.00 0.02 -4.70 105.19 108.21 3laz n GLY 32 Ca 0.54 -1.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.77 3laz n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3laz s LEU 33 N 0.00 2.05 0.71 0.99 1.43 -0.13 -4.81 118.68 118.92 3laz s LEU 33 Ca 0.00 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 52.51 3laz s LEU 33 Cb 0.00 -1.32 0.02 0.00 0.03 0.00 0.00 46.19 44.92 3laz s LEU 33 CO 0.00 0.26 1.09 -1.59 0.23 0.00 0.00 176.35 176.34 3laz s LYS 34 N -0.29 2.81 0.55 1.70 -2.85 -1.26 -1.23 119.74 119.16 3laz s LYS 34 Ca 0.01 0.57 -0.21 0.00 -1.00 0.00 0.00 55.97 55.33 3laz s LYS 34 Cb -0.12 -2.01 -0.05 0.00 -2.06 0.00 0.00 37.83 33.59 3laz s LYS 34 CO 0.02 -1.09 1.27 0.00 0.10 0.00 0.00 175.35 175.64 3laz n ALA 35 N -3.06 1.23 0.00 0.59 0.00 -1.25 -2.65 120.51 115.37 3laz n ALA 35 Ca 0.07 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3laz n ALA 35 Cb 0.56 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.72 3laz n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3laz n GLY 36 N 0.88 1.60 3.70 0.00 0.00 0.10 -4.95 105.19 106.52 3laz n GLY 36 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 3laz n GLY 36 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3laz n THR 37 N -2.00 0.10 -4.27 2.61 -1.04 -1.08 -4.73 114.28 103.87 3laz n THR 37 Ca 0.00 -0.02 -0.32 0.00 -2.04 0.00 0.00 64.05 61.67 3laz n THR 37 Cb 0.00 -1.89 -0.09 0.00 -1.82 0.00 0.00 70.33 66.53 3laz n THR 37 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3laz s ARG 38 N 1.53 2.76 0.05 -2.82 1.81 -1.26 -1.06 118.95 119.96 3laz s ARG 38 Ca 0.78 -0.63 0.09 0.00 -1.72 0.00 0.00 55.73 54.25 3laz s ARG 38 Cb -0.55 -2.66 -0.03 0.00 -0.45 0.00 0.00 34.95 31.26 3laz s ARG 38 CO 0.35 0.62 -0.25 -0.06 -0.68 0.00 0.00 175.30 175.28 3laz s PHE 39 N -1.11 2.22 -0.11 -0.53 0.40 0.44 -5.00 117.98 114.28 3laz s PHE 39 Ca 0.20 -0.40 -0.29 0.00 -0.60 0.00 0.00 56.93 55.83 3laz s PHE 39 Cb -0.12 -1.33 -0.05 0.00 0.51 0.00 0.00 43.02 42.04 3laz s PHE 39 CO 0.11 0.12 1.84 -2.14 0.70 0.00 0.00 175.22 175.85 3laz s PRO 40 N -1.24 3.84 0.00 0.24 0.02 -1.26 -2.03 135.00 134.57 3laz s PRO 40 Ca 0.11 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.23 3laz s PRO 40 Cb -0.10 -4.13 0.00 0.00 0.02 0.00 0.00 34.50 30.30 3laz s PRO 40 CO 0.02 -1.26 0.00 -0.40 -0.33 0.00 0.00 177.00 175.03 3laz n ASP 41 N 8.55 0.00 0.00 2.53 5.75 -1.26 -4.84 116.55 127.28 3laz n ASP 41 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.99 3laz n ASP 41 Cb 0.44 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 3laz n ASP 41 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3laz n GLY 42 N 0.00 0.67 3.70 6.12 0.00 -0.86 -5.05 105.19 109.77 3laz n GLY 42 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3laz n GLY 42 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3laz s LEU 43 N 0.00 4.38 -0.07 0.99 2.96 -1.22 -4.85 118.68 120.87 3laz s LEU 43 Ca 0.00 2.69 0.02 0.00 -0.22 0.00 0.00 54.13 56.62 3laz s LEU 43 Cb 0.00 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 43.13 3laz s LEU 43 CO 0.00 -0.94 -0.11 -0.70 -1.32 0.00 0.00 176.35 173.27 3laz s GLU 44 N 2.17 1.65 0.21 1.98 2.12 -1.26 -0.42 118.70 125.15 3laz s GLU 44 Ca 0.76 -0.38 -0.30 0.00 0.36 0.00 0.00 54.97 55.41 3laz s GLU 44 Cb -0.45 -1.40 -0.10 0.00 0.26 0.00 0.00 34.13 32.45 3laz s GLU 44 CO 0.34 -0.01 1.44 -0.51 -0.54 0.00 0.00 175.26 175.98 3laz s LEU 45 N 0.78 4.39 0.00 2.70 1.02 -0.23 -4.38 118.68 122.96 3laz s LEU 45 Ca -0.12 2.58 0.21 0.00 0.02 0.00 0.00 54.13 56.82 3laz s LEU 45 Cb -0.15 -3.61 -0.05 0.00 0.02 0.00 0.00 46.19 42.40 3laz s LEU 45 CO 0.02 -0.69 0.99 2.30 0.02 0.00 0.00 176.35 178.99 3laz n ILE 46 N 2.85 0.00 -3.88 -0.59 -5.35 -0.49 0.01 119.36 111.90 3laz n ILE 46 Ca 0.08 -0.23 -0.08 0.00 -0.27 0.00 0.00 62.75 62.25 3laz n ILE 46 Cb 0.40 1.20 -0.03 0.00 -1.74 0.00 0.00 39.64 39.47 3laz n ILE 46 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 3laz s GLU 47 N -2.43 1.64 0.31 6.28 -1.05 -1.26 -4.85 118.70 117.34 3laz s GLU 47 Ca 0.15 -1.05 -0.29 0.00 -0.15 0.00 0.00 54.97 53.63 3laz s GLU 47 Cb 0.16 0.55 -0.10 0.00 -0.44 0.00 0.00 34.13 34.30 3laz s GLU 47 CO 0.58 -0.72 1.31 -1.58 0.95 0.00 0.00 175.26 175.80 3laz s HIS 48 N -3.94 3.09 -0.12 4.83 5.65 -1.26 -3.75 115.29 119.79 3laz s HIS 48 Ca 0.14 1.37 0.00 0.00 0.25 0.00 0.00 55.06 56.82 3laz s HIS 48 Cb -0.03 -3.67 0.02 0.00 -1.18 0.00 0.00 32.58 27.72 3laz s HIS 48 CO 0.06 -1.88 -0.10 0.42 -0.65 0.00 0.00 174.74 172.59 3laz s ILE 49 N -0.89 1.21 0.75 0.89 1.01 -0.37 -4.78 121.20 119.02 3laz s ILE 49 Ca 0.51 -0.42 -0.14 0.00 0.00 0.00 0.00 60.65 60.59 3laz s ILE 49 Cb -0.39 -1.19 0.05 0.00 0.01 0.00 0.00 42.46 40.94 3laz s ILE 49 CO 0.50 0.40 1.19 -2.84 0.00 0.00 0.00 174.94 174.19 3laz s PRO 50 N 1.54 2.06 0.30 2.79 0.02 -1.26 -0.96 135.00 139.49 3laz s PRO 50 Ca 0.03 1.70 -0.30 0.00 0.02 0.00 0.00 61.00 62.46 3laz s PRO 50 Cb -0.13 -1.83 -0.11 0.00 0.02 0.00 0.00 34.50 32.45 3laz s PRO 50 CO -0.08 -1.88 1.60 0.94 -0.33 0.00 0.00 177.00 177.25 3laz n GLN 51 N -2.88 2.73 -0.13 5.54 7.27 -1.26 -2.22 117.38 126.43 3laz n GLN 51 Ca 0.13 0.97 0.00 0.00 0.07 0.00 0.00 57.00 58.17 3laz n GLN 51 Cb 0.51 -2.76 0.00 0.00 2.41 0.00 0.00 30.24 30.40 3laz n GLN 51 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3laz n GLY 52 N 2.03 1.32 3.95 1.69 0.00 0.48 -4.96 105.19 109.70 3laz n GLY 52 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 3laz n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3laz s HIS 53 N -2.64 3.02 0.05 1.61 3.76 -0.94 -4.75 115.29 115.40 3laz s HIS 53 Ca 0.00 0.27 -0.13 0.00 -0.15 0.00 0.00 55.06 55.05 3laz s HIS 53 Cb 0.00 -2.78 -0.06 0.00 1.11 0.00 0.00 32.58 30.86 3laz s HIS 53 CO 0.00 -0.90 0.43 0.15 -0.85 0.00 0.00 174.74 173.57 3laz s LYS 54 N -4.89 3.87 -0.04 1.40 1.02 -1.26 -1.00 119.74 118.85 3laz s LYS 54 Ca 0.56 0.34 0.03 0.00 0.02 0.00 0.00 55.97 56.92 3laz s LYS 54 Cb -0.10 -3.10 -0.03 0.00 -0.52 0.00 0.00 37.83 34.07 3laz s LYS 54 CO 0.41 0.62 -0.10 0.54 -0.92 0.00 0.00 175.35 175.89 3laz s VAL 55 N -1.25 3.39 -0.10 3.17 0.11 0.58 -1.54 120.40 124.77 3laz s VAL 55 Ca 0.29 -0.69 -0.30 0.00 -2.93 0.00 0.00 61.98 58.35 3laz s VAL 55 Cb -0.15 -2.39 -0.03 0.00 -1.53 0.00 0.00 36.38 32.27 3laz s VAL 55 CO 0.16 0.53 1.28 0.00 -3.33 0.00 0.00 175.10 173.74 3laz s ALA 56 N -0.84 3.59 -0.65 1.54 0.00 -0.60 -1.85 121.76 122.95 3laz s ALA 56 Ca 0.13 0.60 0.25 0.00 0.00 0.00 0.00 51.96 52.94 3laz s ALA 56 Cb -0.11 -3.59 0.68 0.00 0.00 0.00 0.00 23.12 20.10 3laz s ALA 56 CO 0.03 -1.01 1.73 -0.07 0.00 0.00 0.00 175.76 176.44 3laz h LEU 57 N 9.04 0.00 -8.03 0.00 3.38 -1.25 0.17 115.31 118.63 3laz h LEU 57 Ca -0.31 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.56 3laz h LEU 57 Cb 1.14 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.76 3laz h LEU 57 CO 0.93 0.00 -0.31 -0.76 0.09 0.00 0.00 178.44 178.39 3laz s LEU 58 N -5.00 0.98 0.04 1.67 1.43 -1.25 -4.81 118.68 111.73 3laz s LEU 58 Ca 0.10 -0.83 -0.30 0.00 -1.03 0.00 0.00 54.13 52.06 3laz s LEU 58 Cb 0.10 1.21 -0.08 0.00 0.03 0.00 0.00 46.19 47.46 3laz s LEU 58 CO 0.62 -0.88 1.62 -1.81 0.23 0.00 0.00 176.35 176.13 3laz s ASP 59 N -2.95 6.65 -0.27 2.29 1.01 -1.26 -3.65 116.67 118.49 3laz s ASP 59 Ca 0.15 2.40 -0.05 0.00 0.71 0.00 0.00 52.55 55.77 3laz s ASP 59 Cb 0.03 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.41 3laz s ASP 59 CO -0.01 -0.87 0.02 -0.63 0.21 0.00 0.00 175.17 173.89 3laz s ILE 60 N 2.78 3.59 0.82 0.77 1.01 0.76 -4.91 121.20 126.02 3laz s ILE 60 Ca 0.73 -0.72 -0.12 0.00 0.00 0.00 0.00 60.65 60.53 3laz s ILE 60 Cb -0.38 -2.80 0.09 0.00 0.01 0.00 0.00 42.46 39.38 3laz s ILE 60 CO 0.31 0.18 1.15 -2.84 0.00 0.00 0.00 174.94 173.74 3laz s PRO 61 N 1.45 1.66 0.20 2.79 0.02 -1.26 0.86 135.00 140.73 3laz s PRO 61 Ca 0.03 1.53 -0.32 0.00 0.02 0.00 0.00 61.00 62.25 3laz s PRO 61 Cb -0.16 -1.80 -0.15 0.00 0.02 0.00 0.00 34.50 32.41 3laz s PRO 61 CO -0.00 -2.15 1.27 0.00 -0.33 0.00 0.00 177.00 175.79 3laz n ALA 62 N -3.58 0.06 -0.83 -1.55 0.00 -1.26 -0.78 120.51 112.57 3laz n ALA 62 Ca 0.12 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.00 3laz n ALA 62 Cb 0.52 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.83 3laz n ALA 62 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3laz n ASN 63 N 2.09 -1.66 -4.79 0.00 5.03 0.15 -4.91 115.26 111.17 3laz n ASN 63 Ca 0.14 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.25 3laz n ASN 63 Cb 0.28 -1.62 0.00 0.00 -1.02 0.00 0.00 39.78 37.42 3laz n ASN 63 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3laz s GLY 64 N -2.00 2.41 0.28 7.41 0.00 0.04 -4.59 107.32 110.88 3laz s GLY 64 Ca 0.00 0.63 -0.29 0.00 0.00 0.00 0.00 44.72 45.05 3laz s GLY 64 CO 0.00 0.96 1.33 -0.54 0.00 0.00 0.00 173.10 174.85 3laz s GLU 65 N -3.57 4.36 -0.22 2.90 2.02 -1.26 -1.69 118.70 121.24 3laz s GLU 65 Ca 0.68 2.18 -0.07 0.00 0.02 0.00 0.00 54.97 57.78 3laz s GLU 65 Cb -0.20 -3.11 -0.03 0.00 0.10 0.00 0.00 34.13 30.89 3laz s GLU 65 CO 0.29 -0.23 0.06 0.42 0.02 0.00 0.00 175.26 175.82 3laz s ILE 66 N -0.61 4.50 -0.16 -1.63 1.01 0.04 -4.90 121.20 119.45 3laz s ILE 66 Ca 0.53 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 61.06 3laz s ILE 66 Cb -0.39 -3.06 0.03 0.00 0.01 0.00 0.00 42.46 39.04 3laz s ILE 66 CO 0.47 0.40 -0.14 -0.63 0.00 0.00 0.00 174.94 175.04 3laz s ILE 67 N 1.02 1.61 0.01 2.92 1.01 -1.26 -0.25 121.20 126.26 3laz s ILE 67 Ca 0.04 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.97 3laz s ILE 67 Cb -0.14 -1.55 -0.01 0.00 0.01 0.00 0.00 42.46 40.77 3laz s ILE 67 CO 0.03 0.40 -0.05 -0.60 0.00 0.00 0.00 174.94 174.73 3laz s ARG 68 N 1.46 0.35 -1.74 2.79 3.52 -0.76 -1.49 118.95 123.09 3laz s ARG 68 Ca 0.04 -0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.33 3laz s ARG 68 Cb -0.13 -0.26 0.00 0.00 -1.56 0.00 0.00 34.95 32.99 3laz s ARG 68 CO -0.10 0.06 0.00 0.66 -0.81 0.00 0.00 175.30 175.11 3laz n TYR 69 N 2.55 -0.32 -1.01 5.12 4.01 -1.26 -2.18 117.16 124.07 3laz n TYR 69 Ca -0.16 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.58 3laz n TYR 69 Cb 0.58 -3.04 -0.00 0.00 -0.31 0.00 0.00 39.34 36.56 3laz n TYR 69 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3laz n GLY 70 N -0.38 0.46 3.47 2.72 0.00 -1.26 -4.90 105.19 105.29 3laz n GLY 70 Ca -0.17 -0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 3laz n GLY 70 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3laz s GLU 71 N -0.49 1.69 -0.14 1.61 0.41 -0.92 -5.02 118.70 115.84 3laz s GLU 71 Ca 0.00 -1.38 -0.29 0.00 -0.41 0.00 0.00 54.97 52.89 3laz s GLU 71 Cb 0.00 -1.98 -0.02 0.00 -1.78 0.00 0.00 34.13 30.35 3laz s GLU 71 CO 0.00 0.43 1.36 0.08 -0.49 0.00 0.00 175.26 176.64 3laz s VAL 72 N -1.51 4.10 -2.06 2.63 1.01 -1.26 -1.83 120.40 121.48 3laz s VAL 72 Ca 0.20 1.33 0.19 0.00 0.00 0.00 0.00 61.98 63.71 3laz s VAL 72 Cb -0.09 -3.87 0.07 0.00 0.00 0.00 0.00 36.38 32.50 3laz s VAL 72 CO 0.11 -0.12 1.03 2.30 0.00 0.00 0.00 175.10 178.41 3laz n ILE 73 N 5.42 0.00 -0.79 2.22 -5.35 0.65 -4.94 119.36 116.57 3laz n ILE 73 Ca 0.15 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 3laz n ILE 73 Cb 0.44 1.31 0.00 0.00 -1.74 0.00 0.00 39.64 39.65 3laz n ILE 73 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3laz n GLY 74 N 1.18 -2.39 3.15 3.28 0.00 -1.22 -4.51 105.19 104.67 3laz n GLY 74 Ca 0.09 -1.25 -0.23 0.00 0.00 0.00 0.00 46.02 44.63 3laz n GLY 74 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3laz s TYR 75 N -2.21 1.42 0.11 1.61 2.02 0.04 -0.78 117.35 119.57 3laz s TYR 75 Ca 0.00 -0.29 -0.31 0.00 -0.37 0.00 0.00 57.07 56.10 3laz s TYR 75 Cb 0.00 -0.90 -0.08 0.00 -0.40 0.00 0.00 41.96 40.58 3laz s TYR 75 CO 0.00 -0.01 1.49 0.00 -1.57 0.00 0.00 175.55 175.47 3laz s ALA 76 N -0.47 3.66 0.05 3.71 0.00 -0.68 -1.11 121.76 126.92 3laz s ALA 76 Ca 0.06 1.18 -0.20 0.00 0.00 0.00 0.00 51.96 53.00 3laz s ALA 76 Cb -0.07 -3.60 -0.14 0.00 0.00 0.00 0.00 23.12 19.32 3laz s ALA 76 CO -0.00 -0.79 1.34 0.28 0.00 0.00 0.00 175.76 176.59 3laz h VAL 77 N 4.37 1.35 -2.68 0.00 2.07 -1.91 0.42 116.25 119.86 3laz h VAL 77 Ca -0.42 -1.36 -0.49 0.00 0.82 0.00 0.00 66.70 65.25 3laz h VAL 77 Cb 1.20 1.87 -0.14 0.00 -1.52 0.00 0.00 31.29 32.70 3laz h VAL 77 CO 0.90 0.41 -0.67 0.00 0.02 0.00 0.00 177.57 178.23 3laz s ARG 78 N -4.26 1.56 0.47 1.57 1.70 -1.26 -4.52 118.95 114.21 3laz s ARG 78 Ca -0.14 -1.80 -0.24 0.00 -0.47 0.00 0.00 55.73 53.09 3laz s ARG 78 Cb 0.06 -1.11 -0.08 0.00 -0.57 0.00 0.00 34.95 33.25 3laz s ARG 78 CO 0.77 0.01 1.21 0.00 -1.08 0.00 0.00 175.30 176.20 3laz n ALA 79 N -0.59 1.03 -3.97 7.88 0.00 -1.26 -4.39 120.51 119.21 3laz n ALA 79 Ca -0.05 0.19 -0.33 0.00 0.00 0.00 0.00 53.44 53.25 3laz n ALA 79 Cb 0.64 -2.24 -0.15 0.00 0.00 0.00 0.00 19.45 17.70 3laz n ALA 79 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3laz s ILE 80 N -1.27 2.37 0.43 0.00 1.01 0.25 -4.85 121.20 119.13 3laz s ILE 80 Ca 0.65 -1.26 -0.25 0.00 0.00 0.00 0.00 60.65 59.79 3laz s ILE 80 Cb -0.48 -2.23 -0.08 0.00 0.01 0.00 0.00 42.46 39.68 3laz s ILE 80 CO 0.55 0.19 1.26 -2.84 0.00 0.00 0.00 174.94 174.10 3laz s PRO 81 N 1.22 3.85 0.31 2.79 0.02 -1.26 -0.17 135.00 141.76 3laz s PRO 81 Ca -0.02 2.05 -0.28 0.00 0.02 0.00 0.00 61.00 62.76 3laz s PRO 81 Cb -0.17 -2.63 -0.13 0.00 0.02 0.00 0.00 34.50 31.59 3laz s PRO 81 CO -0.07 -0.55 1.20 -2.13 -0.33 0.00 0.00 177.00 175.12 3laz n ARG 82 N -0.11 1.83 -0.92 5.54 0.63 -1.24 -1.93 116.66 120.46 3laz n ARG 82 Ca 0.05 0.64 0.00 0.00 -0.92 0.00 0.00 57.85 57.62 3laz n ARG 82 Cb 0.45 -2.16 0.00 0.00 0.45 0.00 0.00 32.46 31.20 3laz n ARG 82 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3laz n GLY 83 N 1.10 0.72 3.93 5.14 0.00 0.60 -4.74 105.19 111.95 3laz n GLY 83 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 3laz n GLY 83 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3laz s SER 84 N -2.44 6.18 0.05 1.61 1.04 -0.81 -1.40 113.70 117.93 3laz s SER 84 Ca 0.00 0.56 -0.31 0.00 0.48 0.00 0.00 55.95 56.69 3laz s SER 84 Cb 0.00 -1.99 -0.06 0.00 0.10 0.00 0.00 66.02 64.07 3laz s SER 84 CO 0.00 -0.47 1.33 0.86 0.98 0.00 0.00 173.24 175.94 3laz s TRP 85 N -2.50 3.17 -0.92 5.02 -0.00 -1.26 -1.56 118.94 120.89 3laz s TRP 85 Ca 0.44 1.02 -0.20 0.00 -0.00 0.00 0.00 56.10 57.36 3laz s TRP 85 Cb -0.10 -3.59 0.11 0.00 -0.00 0.00 0.00 33.47 29.89 3laz s TRP 85 CO 0.39 -2.05 1.18 0.42 -0.00 0.00 0.00 176.95 176.89 3laz s ILE 86 N 1.57 4.52 0.28 5.86 -1.09 -0.59 -4.93 121.20 126.82 3laz s ILE 86 Ca 0.62 -1.28 -0.19 0.00 -2.23 0.00 0.00 60.65 57.57 3laz s ILE 86 Cb -0.32 -4.83 -0.09 0.00 -1.58 0.00 0.00 42.46 35.64 3laz s ILE 86 CO 0.28 -1.59 0.77 1.51 -1.23 0.00 0.00 174.94 174.68 3laz s ASP 87 N 3.90 6.98 0.51 3.58 -4.77 -1.26 -4.61 116.67 121.01 3laz s ASP 87 Ca 0.34 1.44 0.15 0.00 -3.30 0.00 0.00 52.55 51.18 3laz s ASP 87 Cb -0.05 -2.43 1.23 0.00 -1.09 0.00 0.00 42.92 40.57 3laz s ASP 87 CO -0.07 -0.09 2.14 1.05 0.70 0.00 0.00 175.17 178.89 3laz h GLU 88 N 2.88 0.04 -1.99 2.11 4.11 -2.02 -3.34 114.58 116.37 3laz h GLU 88 Ca -0.48 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3laz h GLU 88 Cb 1.19 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3laz h GLU 88 CO 0.65 0.04 0.00 -1.13 0.07 0.00 0.00 179.01 178.63 3laz n SER 89 N -4.52 0.27 -0.68 3.06 3.41 -1.26 -4.79 113.62 109.10 3laz n SER 89 Ca -0.03 -0.93 0.00 0.00 -0.26 0.00 0.00 58.87 57.66 3laz n SER 89 Cb 0.10 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 3laz n SER 89 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3laz n VAL 91 N 1.82 0.00 -3.10 -3.33 0.31 -1.26 -4.95 118.33 107.82 3laz n VAL 91 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.94 3laz n VAL 91 Cb 0.03 -0.21 -0.05 0.00 -0.91 0.00 0.00 33.84 32.69 3laz n VAL 91 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3laz s VAL 92 N -0.03 4.98 0.56 2.52 -7.23 -0.27 -4.89 120.40 116.05 3laz s VAL 92 Ca 0.00 1.38 -0.16 0.00 -1.81 0.00 0.00 61.98 61.38 3laz s VAL 92 Cb 0.00 -4.00 -0.05 0.00 0.56 0.00 0.00 36.38 32.88 3laz s VAL 92 CO 0.00 0.32 1.04 -0.76 -0.31 0.00 0.00 175.10 175.38 3laz s LEU 93 N 0.42 3.57 0.20 1.32 1.43 -1.26 -0.78 118.68 123.58 3laz s LEU 93 Ca 0.35 1.77 -0.30 0.00 -1.03 0.00 0.00 54.13 54.92 3laz s LEU 93 Cb -0.18 -4.53 -0.08 0.00 0.03 0.00 0.00 46.19 41.43 3laz s LEU 93 CO 0.18 -0.97 1.11 -2.84 0.23 0.00 0.00 176.35 174.06 3laz s PRO 94 N -3.98 4.59 0.00 1.29 0.02 -1.26 -4.85 135.00 130.81 3laz s PRO 94 Ca 0.63 1.76 0.00 0.00 0.02 0.00 0.00 61.00 63.41 3laz s PRO 94 Cb -0.14 -3.25 0.00 0.00 0.02 0.00 0.00 34.50 31.13 3laz s PRO 94 CO 0.33 0.08 0.00 0.39 -0.33 0.00 0.00 177.00 177.48