#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b4v s LEU 2 N 0.00 2.16 -0.20 0.99 1.02 -1.26 -5.06 118.68 116.33 3b4v s LEU 2 Ca 0.00 -0.46 -0.11 0.00 0.02 0.00 0.00 54.13 53.58 3b4v s LEU 2 Cb 0.00 -0.70 -0.05 0.00 0.02 0.00 0.00 46.19 45.46 3b4v s LEU 2 CO 0.00 0.07 0.19 -1.83 0.02 0.00 0.00 176.35 174.81 3b4v s GLU 3 N -1.10 4.19 -0.09 1.70 1.03 -1.26 -3.69 118.70 119.48 3b4v s GLU 3 Ca 0.03 -0.12 -0.29 0.00 0.03 0.00 0.00 54.97 54.62 3b4v s GLU 3 Cb -0.08 -3.45 -0.05 0.00 -0.80 0.00 0.00 34.13 29.75 3b4v s GLU 3 CO 0.01 0.22 1.67 0.00 -1.33 0.00 0.00 175.26 175.83 3b4v n ASP 5 N 7.50 0.00 -4.71 0.00 8.00 -1.26 -4.94 116.55 121.14 3b4v n ASP 5 Ca 0.18 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.26 3b4v n ASP 5 Cb 0.43 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 3b4v n ASP 5 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3b4v s LYS 7 N 0.00 4.15 -0.89 -1.24 0.00 -1.26 -4.82 119.74 115.68 3b4v s LYS 7 Ca 0.00 2.54 -0.25 0.00 0.00 0.00 0.00 55.97 58.26 3b4v s LYS 7 Cb 0.00 -3.19 0.02 0.00 0.00 0.00 0.00 37.83 34.66 3b4v s LYS 7 CO 0.00 -0.73 1.53 0.08 0.00 0.00 0.00 175.35 176.22 3b4v s VAL 8 N 1.47 3.73 -0.09 1.79 1.01 -1.26 -4.82 120.40 122.23 3b4v s VAL 8 Ca 0.75 -0.29 -0.27 0.00 0.00 0.00 0.00 61.98 62.17 3b4v s VAL 8 Cb -0.47 -4.74 -0.25 0.00 0.00 0.00 0.00 36.38 30.91 3b4v s VAL 8 CO 0.32 -1.66 0.91 0.78 0.00 0.00 0.00 175.10 175.46 3b4v h ASN 9 N 10.60 0.09 -3.01 3.32 2.35 -1.99 -3.49 115.58 123.46 3b4v h ASN 9 Ca 0.01 -0.87 -0.48 0.00 -0.55 0.00 0.00 56.30 54.41 3b4v h ASN 9 Cb 1.03 -0.03 0.02 0.00 0.05 0.00 0.00 38.32 39.39 3b4v h ASN 9 CO 1.33 0.96 -0.10 0.27 -1.65 0.00 0.00 177.43 178.24 3b4v s ILE 10 N -2.73 4.91 -0.36 2.81 -5.25 -1.26 -2.11 121.20 117.21 3b4v s ILE 10 Ca -0.17 -0.29 -0.40 0.00 -0.99 0.00 0.00 60.65 58.80 3b4v s ILE 10 Cb -0.01 -3.82 -0.15 0.00 2.95 0.00 0.00 42.46 41.43 3b4v s ILE 10 CO 0.71 -0.61 1.96 0.00 -1.79 0.00 0.00 174.94 175.21 3b4v s LYS 13 N -3.92 4.45 0.07 0.00 2.20 -1.24 -0.86 119.74 120.43 3b4v s LYS 13 Ca 0.13 0.97 0.07 0.00 -0.36 0.00 0.00 55.97 56.78 3b4v s LYS 13 Cb 0.00 -3.45 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 3b4v s LYS 13 CO -0.00 0.04 -0.15 0.15 -0.36 0.00 0.00 175.35 175.02 3b4v s LYS 14 N 0.87 2.07 0.19 4.03 1.02 0.16 -4.65 119.74 123.43 3b4v s LYS 14 Ca 0.40 -1.01 -0.30 0.00 0.02 0.00 0.00 55.97 55.08 3b4v s LYS 14 Cb -0.18 -2.23 -0.08 0.00 -0.52 0.00 0.00 37.83 34.82 3b4v s LYS 14 CO 0.19 0.53 1.18 -0.65 -0.92 0.00 0.00 175.35 175.68 3b4v s GLN 15 N -1.74 4.51 -0.17 1.68 -1.52 -1.26 -1.53 119.66 119.63 3b4v s GLN 15 Ca 0.17 1.84 -0.05 0.00 -1.95 0.00 0.00 55.36 55.38 3b4v s GLN 15 Cb -0.11 -3.25 0.08 0.00 -0.22 0.00 0.00 33.01 29.52 3b4v s GLN 15 CO 0.08 -0.05 0.29 0.12 -0.25 0.00 0.00 175.29 175.48 3b4v s PHE 16 N -0.11 -0.49 -0.01 0.91 5.36 -1.26 -4.85 117.98 117.53 3b4v s PHE 16 Ca 0.52 0.85 -0.23 0.00 -0.96 0.00 0.00 56.93 57.11 3b4v s PHE 16 Cb -0.32 -0.06 -0.05 0.00 -0.34 0.00 0.00 43.02 42.25 3b4v s PHE 16 CO 0.36 -0.47 0.70 0.12 -1.46 0.00 0.00 175.22 174.48 3b4v s PHE 17 N 2.44 3.66 -0.05 10.12 5.36 -1.26 0.25 117.98 138.50 3b4v s PHE 17 Ca 0.04 1.32 0.05 0.00 -0.96 0.00 0.00 56.93 57.39 3b4v s PHE 17 Cb -0.13 -2.76 -0.02 0.00 -0.34 0.00 0.00 43.02 39.76 3b4v s PHE 17 CO -0.11 0.22 -0.21 0.08 -1.46 0.00 0.00 175.22 173.75 3b4v s VAL 18 N 0.23 2.46 -0.16 3.12 1.01 -0.11 -4.92 120.40 122.03 3b4v s VAL 18 Ca 0.36 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 3b4v s VAL 18 Cb -0.19 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 3b4v s VAL 18 CO 0.20 0.58 -0.00 -0.55 0.00 0.00 0.00 175.10 175.32 3b4v s SER 19 N -0.44 5.10 0.49 3.32 0.15 -1.26 -1.10 113.70 119.95 3b4v s SER 19 Ca 0.05 -0.05 0.30 0.00 0.70 0.00 0.00 55.95 56.94 3b4v s SER 19 Cb -0.12 -1.84 1.03 0.00 -1.71 0.00 0.00 66.02 63.38 3b4v s SER 19 CO 0.01 0.18 1.85 -0.26 1.20 0.00 0.00 173.24 176.22 3b4v h PHE 20 N 6.66 0.00 -0.18 3.44 0.05 -1.23 -2.24 116.94 123.44 3b4v h PHE 20 Ca -0.33 0.00 -0.20 0.00 3.82 0.00 0.00 57.97 61.26 3b4v h PHE 20 Cb 1.18 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.14 3b4v h PHE 20 CO 0.54 0.00 -0.68 -0.22 -0.18 0.00 0.00 178.31 177.77 3b4v h LYS 21 N 0.00 0.72 -0.77 1.51 3.64 -1.93 0.30 116.57 120.03 3b4v h LYS 21 Ca 0.00 -0.53 -0.05 0.00 -1.27 0.00 0.00 60.65 58.80 3b4v h LYS 21 Cb 0.65 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 3b4v h LYS 21 CO 0.00 1.15 0.28 -0.44 -2.27 0.00 0.00 179.45 178.17 3b4v h ASP 22 N 0.51 1.09 1.64 4.20 3.45 -1.79 -2.20 116.42 123.34 3b4v h ASP 22 Ca -0.02 -0.19 0.00 0.00 0.43 0.00 0.00 57.03 57.25 3b4v h ASP 22 Cb 1.28 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 39.77 3b4v h ASP 22 CO 0.14 0.98 0.00 0.40 -1.57 0.00 0.00 179.24 179.19 3b4v h ILE 23 N 1.14 0.00 0.00 0.35 2.04 -1.44 -3.47 117.51 116.12 3b4v h ILE 23 Ca 0.26 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.40 3b4v h ILE 23 Cb 0.25 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 3b4v h ILE 23 CO -0.02 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.74 3b4v n GLY 24 N 1.03 0.49 0.58 5.37 0.00 -0.39 -4.98 105.19 107.29 3b4v n GLY 24 Ca 0.04 -0.85 0.05 0.00 0.00 0.00 0.00 46.02 45.26 3b4v n GLY 24 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3b4v n TRP 25 N -3.61 0.43 1.89 1.61 8.01 0.93 -4.64 117.44 122.07 3b4v n TRP 25 Ca 0.00 -0.52 0.15 0.00 -1.31 0.00 0.00 57.50 55.83 3b4v n TRP 25 Cb 0.38 -0.04 0.90 0.00 -2.01 0.00 0.00 31.31 30.54 3b4v n TRP 25 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.69 176.95 3b4v n ASN 26 N 0.35 0.00 0.03 -0.99 6.94 -1.11 -1.81 115.26 118.67 3b4v n ASN 26 Ca 0.11 -0.89 -0.21 0.00 -0.02 0.00 0.00 54.58 53.57 3b4v n ASN 26 Cb 0.43 -0.03 -0.14 0.00 -2.36 0.00 0.00 39.78 37.68 3b4v n ASN 26 CO 0.00 0.00 0.00 -2.24 -1.03 0.00 0.00 177.26 173.99 3b4v h ASP 27 N 0.00 0.44 0.64 0.53 -0.00 -1.90 -3.38 116.42 112.75 3b4v h ASP 27 Ca 0.00 -0.90 -0.26 0.00 -0.00 0.00 0.00 57.03 55.88 3b4v h ASP 27 Cb 0.03 -0.14 -0.00 0.00 -0.00 0.00 0.00 39.33 39.21 3b4v h ASP 27 CO 0.00 1.53 -1.15 -0.50 -0.00 0.00 0.00 179.24 179.12 3b4v h TRP 28 N -0.31 0.43 -3.63 4.15 6.55 -1.90 -3.44 115.95 117.80 3b4v h TRP 28 Ca -0.24 -0.30 -0.67 0.00 0.95 0.00 0.00 58.89 58.64 3b4v h TRP 28 Cb 1.73 -0.02 -0.17 0.00 -0.86 0.00 0.00 29.16 29.84 3b4v h TRP 28 CO 0.16 1.21 -0.24 0.42 -1.05 0.00 0.00 178.44 178.94 3b4v s ILE 29 N -2.77 5.13 -0.05 1.49 1.01 -0.75 -0.67 121.20 124.59 3b4v s ILE 29 Ca -0.03 -0.01 -0.26 0.00 0.00 0.00 0.00 60.65 60.35 3b4v s ILE 29 Cb 0.08 -3.89 -0.22 0.00 0.01 0.00 0.00 42.46 38.44 3b4v s ILE 29 CO 0.87 -0.19 1.08 0.40 0.00 0.00 0.00 174.94 177.11 3b4v h ILE 30 N 5.59 1.53 -2.78 2.92 2.04 -0.89 -3.41 117.51 122.51 3b4v h ILE 30 Ca -0.29 -1.69 -0.11 0.00 1.00 0.00 0.00 64.86 63.78 3b4v h ILE 30 Cb 1.13 2.61 -0.20 0.00 -0.74 0.00 0.00 36.82 39.63 3b4v h ILE 30 CO 0.73 0.45 -0.17 0.00 0.00 0.00 0.00 178.15 179.16 3b4v s ALA 31 N -3.43 -1.02 1.04 1.87 0.00 -0.53 -4.65 121.76 115.04 3b4v s ALA 31 Ca -0.16 0.62 -0.17 0.00 0.00 0.00 0.00 51.96 52.25 3b4v s ALA 31 Cb 0.01 -0.02 0.23 0.00 0.00 0.00 0.00 23.12 23.34 3b4v s ALA 31 CO 0.71 -0.28 1.28 -1.25 0.00 0.00 0.00 175.76 176.22 3b4v s PRO 32 N -1.14 0.04 0.42 0.00 0.04 -1.26 -1.43 135.00 131.66 3b4v s PRO 32 Ca -0.12 -0.37 0.27 0.00 0.04 0.00 0.00 61.00 60.82 3b4v s PRO 32 Cb -0.04 -1.77 0.77 0.00 0.04 0.00 0.00 34.50 33.50 3b4v s PRO 32 CO 0.05 -2.82 1.75 0.66 0.04 0.00 0.00 177.00 176.68 3b4v h SER 33 N -1.94 0.00 0.00 6.66 4.64 -1.93 -3.47 113.55 117.51 3b4v h SER 33 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3b4v h SER 33 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3b4v h SER 33 CO 0.35 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.92 3b4v n GLY 34 N 0.73 -1.04 3.51 -0.77 0.00 -1.26 -0.65 105.19 105.72 3b4v n GLY 34 Ca 0.03 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 3b4v n GLY 34 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3b4v s TYR 35 N -2.00 -0.35 -0.63 1.61 1.13 -0.26 -4.96 117.35 111.88 3b4v s TYR 35 Ca 0.00 0.06 -0.27 0.00 -1.41 0.00 0.00 57.07 55.45 3b4v s TYR 35 Cb 0.00 0.52 0.01 0.00 -1.10 0.00 0.00 41.96 41.39 3b4v s TYR 35 CO 0.00 -0.92 1.50 -1.01 -2.51 0.00 0.00 175.55 172.60 3b4v s HIS 36 N -3.81 2.10 0.03 -3.49 3.76 -1.26 -0.93 115.29 111.69 3b4v s HIS 36 Ca 0.05 0.38 0.10 0.00 -0.15 0.00 0.00 55.06 55.44 3b4v s HIS 36 Cb -0.02 -4.39 -0.15 0.00 1.11 0.00 0.00 32.58 29.14 3b4v s HIS 36 CO -0.07 -2.12 1.22 0.00 -0.85 0.00 0.00 174.74 172.93 3b4v h ALA 37 N 11.80 0.49 -2.50 -1.40 0.00 -0.49 -3.44 119.26 123.71 3b4v h ALA 37 Ca -0.27 -0.87 0.25 0.00 0.00 0.00 0.00 54.91 54.02 3b4v h ALA 37 Cb 1.10 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.75 3b4v h ALA 37 CO 1.22 1.13 -0.55 0.09 0.00 0.00 0.00 179.25 181.14 3b4v n ASN 38 N -3.26 -5.83 -3.76 0.00 3.02 -0.85 -1.62 115.26 102.96 3b4v n ASN 38 Ca -0.02 0.62 -0.09 0.00 -0.03 0.00 0.00 54.58 55.06 3b4v n ASN 38 Cb 0.90 -3.53 -0.03 0.00 -0.61 0.00 0.00 39.78 36.52 3b4v n ASN 38 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 3b4v s TYR 39 N -2.86 -0.19 -0.12 3.10 -0.85 -0.58 -4.64 117.35 111.21 3b4v s TYR 39 Ca 0.00 -0.19 -0.02 0.00 -0.52 0.00 0.00 57.07 56.35 3b4v s TYR 39 Cb 0.00 0.55 -0.03 0.00 0.38 0.00 0.00 41.96 42.87 3b4v s TYR 39 CO 0.00 -1.06 -0.05 0.00 -1.52 0.00 0.00 175.55 172.92 3b4v s GLU 41 N -0.20 0.35 0.00 0.00 2.12 -0.04 -4.83 118.70 116.11 3b4v s GLU 41 Ca 0.03 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 54.88 3b4v s GLU 41 Cb -0.13 0.14 0.00 0.00 0.26 0.00 0.00 34.13 34.40 3b4v s GLU 41 CO 0.02 -0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 3b4v n GLY 42 N 1.67 0.96 3.80 -1.50 0.00 -1.26 -0.42 105.19 108.43 3b4v n GLY 42 Ca -0.23 -2.05 -0.37 0.00 0.00 0.00 0.00 46.02 43.38 3b4v n GLY 42 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3b4v s GLU 43 N -1.07 4.40 0.28 1.61 2.02 -0.90 -4.38 118.70 120.67 3b4v s GLU 43 Ca 0.00 1.07 0.06 0.00 0.02 0.00 0.00 54.97 56.12 3b4v s GLU 43 Cb 0.00 -2.85 -0.06 0.00 0.10 0.00 0.00 34.13 31.32 3b4v s GLU 43 CO 0.00 0.35 -0.04 0.00 0.02 0.00 0.00 175.26 175.59 3b4v n PRO 45 N -0.58 1.27 0.00 0.00 -0.02 -1.26 -4.96 135.00 129.46 3b4v n PRO 45 Ca -0.05 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3b4v n PRO 45 Cb 0.64 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3b4v n PRO 45 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3b4v n SER 46 N 2.58 0.11 0.11 2.55 2.88 -1.26 -4.50 113.62 116.09 3b4v n SER 46 Ca 0.18 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.48 3b4v n SER 46 Cb 0.21 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.51 3b4v n SER 46 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 3b4v h HIS 47 N 0.00 0.83 0.54 0.66 2.07 -1.99 -3.48 115.15 113.77 3b4v h HIS 47 Ca 0.00 -0.61 -0.03 0.00 -2.85 0.00 0.00 60.37 56.89 3b4v h HIS 47 Cb 0.00 -0.03 0.01 0.00 2.57 0.00 0.00 27.41 29.95 3b4v h HIS 47 CO 0.00 1.55 -0.26 0.82 -3.07 0.00 0.00 177.93 176.97 3b4v h ILE 48 N 0.02 0.38 -0.35 6.12 2.04 -1.99 -3.52 117.51 120.22 3b4v h ILE 48 Ca -0.26 -0.31 -0.15 0.00 1.00 0.00 0.00 64.86 65.14 3b4v h ILE 48 Cb 2.04 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 3b4v h ILE 48 CO 0.22 0.04 0.44 -0.94 0.00 0.00 0.00 178.15 177.92 3b4v s SER 55 N -4.68 4.22 0.05 1.72 1.04 -1.26 -5.06 113.70 109.72 3b4v s SER 55 Ca -0.15 -0.95 0.04 0.00 0.48 0.00 0.00 55.95 55.37 3b4v s SER 55 Cb 0.02 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 3b4v s SER 55 CO 0.53 -3.84 -0.04 -0.76 0.98 0.00 0.00 173.24 170.11 3b4v s LEU 56 N 13.91 3.28 1.11 2.42 1.43 -1.26 -4.75 118.68 134.82 3b4v s LEU 56 Ca 0.78 -0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.58 3b4v s LEU 56 Cb -0.05 -1.96 0.25 0.00 0.03 0.00 0.00 46.19 44.46 3b4v s LEU 56 CO 0.12 0.23 1.05 -0.94 0.23 0.00 0.00 176.35 177.04 3b4v s SER 57 N -1.85 1.41 0.18 2.29 1.04 -1.26 -4.72 113.70 110.79 3b4v s SER 57 Ca 0.21 1.61 -0.16 0.00 0.48 0.00 0.00 55.95 58.09 3b4v s SER 57 Cb -0.11 -2.32 0.14 0.00 0.10 0.00 0.00 66.02 63.82 3b4v s SER 57 CO 0.12 -3.95 1.66 0.15 0.98 0.00 0.00 173.24 172.20 3b4v h PHE 58 N -2.45 -0.21 -0.38 5.02 3.57 -1.99 -1.20 116.94 119.29 3b4v h PHE 58 Ca -0.58 0.04 -0.15 0.00 3.53 0.00 0.00 57.97 60.81 3b4v h PHE 58 Cb 1.32 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 40.22 3b4v h PHE 58 CO 0.31 -0.18 -0.35 1.25 -2.23 0.00 0.00 178.31 177.10 3b4v h HIS 59 N 0.01 1.09 -0.59 0.41 2.76 -1.99 -1.33 115.15 115.51 3b4v h HIS 59 Ca 0.22 -0.32 -0.05 0.00 -2.20 0.00 0.00 60.37 58.03 3b4v h HIS 59 Cb 0.34 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.04 3b4v h HIS 59 CO -0.38 1.14 0.19 0.77 -1.30 0.00 0.00 177.93 178.34 3b4v h SER 60 N 0.73 0.86 0.02 3.26 0.02 -1.83 -0.36 113.55 116.24 3b4v h SER 60 Ca 0.06 -0.21 0.01 0.00 -0.84 0.00 0.00 61.79 60.82 3b4v h SER 60 Cb 0.94 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 3b4v h SER 60 CO 0.09 0.83 -0.10 0.74 -1.14 0.00 0.00 176.83 177.25 3b4v h THR 61 N 0.83 0.76 -0.44 -2.27 2.02 -1.03 0.17 112.91 112.94 3b4v h THR 61 Ca 0.19 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.44 3b4v h THR 61 Cb 0.28 0.76 -0.06 0.00 -1.74 0.00 0.00 68.15 67.39 3b4v h THR 61 CO -0.01 0.00 0.07 0.58 0.37 0.00 0.00 175.52 176.53 3b4v h VAL 62 N -0.18 0.74 -0.53 3.16 2.07 -0.99 -0.82 116.25 119.70 3b4v h VAL 62 Ca 0.03 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 3b4v h VAL 62 Cb 0.22 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3b4v h VAL 62 CO -0.08 0.04 0.21 0.40 0.02 0.00 0.00 177.57 178.15 3b4v h ILE 63 N 0.20 1.22 -0.63 4.57 1.08 -0.82 -2.99 117.51 120.14 3b4v h ILE 63 Ca 0.22 -0.68 0.03 0.00 -0.39 0.00 0.00 64.86 64.04 3b4v h ILE 63 Cb 0.29 0.68 -0.04 0.00 -3.07 0.00 0.00 36.82 34.68 3b4v h ILE 63 CO -0.30 0.26 0.41 -1.13 -0.69 0.00 0.00 178.15 176.70 3b4v h ASN 64 N 0.72 0.63 -0.59 1.72 -1.24 0.39 -0.61 115.58 116.60 3b4v h ASN 64 Ca 0.18 -0.01 0.12 0.00 0.71 0.00 0.00 56.30 57.30 3b4v h ASN 64 Cb 0.20 -0.15 -0.10 0.00 0.73 0.00 0.00 38.32 39.01 3b4v h ASN 64 CO -0.01 0.44 0.03 -0.74 -1.29 0.00 0.00 177.43 175.85 3b4v h HIS 65 N 0.73 0.01 -0.01 0.67 2.76 -1.03 0.12 115.15 118.41 3b4v h HIS 65 Ca 0.25 0.04 -0.17 0.00 -2.20 0.00 0.00 60.37 58.29 3b4v h HIS 65 Cb 0.09 0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.12 3b4v h HIS 65 CO -0.00 -0.13 -0.77 1.88 -1.30 0.00 0.00 177.93 177.61 3b4v h TYR 66 N 0.15 0.15 -0.35 5.26 -1.99 -1.22 -2.79 116.97 116.17 3b4v h TYR 66 Ca 0.31 -0.07 -0.02 0.00 2.00 0.00 0.00 58.73 60.95 3b4v h TYR 66 Cb 0.49 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.18 3b4v h TYR 66 CO -0.33 0.83 0.15 -0.09 -0.00 0.00 0.00 178.16 178.73 3b4v h ARG 67 N 0.06 0.51 -0.22 4.88 2.43 -0.42 -2.41 114.38 119.21 3b4v h ARG 67 Ca -0.02 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 58.95 3b4v h ARG 67 Cb 1.36 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 3b4v h ARG 67 CO 0.11 0.49 -0.33 0.52 -1.51 0.00 0.00 179.97 179.25 3b4v h MET 68 N 0.42 0.47 -0.00 0.20 2.86 -0.75 -2.82 114.93 115.31 3b4v h MET 68 Ca 0.12 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3b4v h MET 68 Cb 0.16 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.80 3b4v h MET 68 CO -0.01 0.74 -0.18 0.54 1.06 0.00 0.00 176.91 179.06 3b4v n ARG 69 N -4.07 0.06 -1.16 1.72 1.74 -1.06 -4.96 116.66 108.93 3b4v n ARG 69 Ca -0.01 -0.02 -0.00 0.00 -0.77 0.00 0.00 57.85 57.05 3b4v n ARG 69 Cb 0.45 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.39 3b4v n ARG 69 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3b4v n GLY 70 N 1.48 0.39 3.66 -0.13 0.00 -0.91 -5.04 105.19 104.63 3b4v n GLY 70 Ca 0.07 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 3b4v n GLY 70 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3b4v s HIS 71 N -2.01 2.02 0.06 1.61 3.76 -1.17 -4.54 115.29 115.02 3b4v s HIS 71 Ca 0.00 1.28 -0.27 0.00 -0.15 0.00 0.00 55.06 55.92 3b4v s HIS 71 Cb 0.00 -3.18 -0.05 0.00 1.11 0.00 0.00 32.58 30.46 3b4v s HIS 71 CO 0.00 -2.78 0.86 -1.12 -0.85 0.00 0.00 174.74 170.84 3b4v s SER 72 N -3.16 7.32 -0.58 1.40 0.01 -1.26 -0.80 113.70 116.63 3b4v s SER 72 Ca 0.65 1.58 0.01 0.00 1.31 0.00 0.00 55.95 59.50 3b4v s SER 72 Cb -0.20 -2.52 0.44 0.00 0.21 0.00 0.00 66.02 63.95 3b4v s SER 72 CO 0.59 -0.05 1.76 -0.81 0.41 0.00 0.00 173.24 175.14 3b4v n PRO 73 N 2.95 2.98 -0.10 12.44 -0.04 -1.26 -4.97 135.00 146.99 3b4v n PRO 73 Ca 0.00 -3.62 0.10 0.00 -0.04 0.00 0.00 63.50 59.94 3b4v n PRO 73 Cb 0.50 -2.28 0.34 0.00 -0.04 0.00 0.00 33.50 32.01 3b4v n PRO 73 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3b4v n PHE 74 N -0.79 0.26 -0.04 0.54 3.01 0.02 -3.82 117.46 116.65 3b4v n PHE 74 Ca 0.55 -0.13 -0.14 0.00 1.01 0.00 0.00 57.45 58.74 3b4v n PHE 74 Cb 0.68 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 40.07 3b4v n PHE 74 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3b4v h ALA 75 N 4.04 0.14 0.08 4.37 0.00 -1.71 -3.35 119.26 122.83 3b4v h ALA 75 Ca 0.00 -0.40 -0.26 0.00 0.00 0.00 0.00 54.91 54.26 3b4v h ALA 75 Cb 0.52 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3b4v h ALA 75 CO 0.00 0.12 -1.21 -0.91 0.00 0.00 0.00 179.25 177.25 3b4v h ASN 76 N -0.17 0.25 -2.62 0.00 2.35 -1.89 -3.46 115.58 110.04 3b4v h ASN 76 Ca -0.01 -0.29 -0.57 0.00 -0.55 0.00 0.00 56.30 54.89 3b4v h ASN 76 Cb 0.85 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 39.12 3b4v h ASN 76 CO 0.05 1.23 1.23 -0.22 -1.65 0.00 0.00 177.43 178.07 3b4v s LEU 77 N -6.93 3.74 0.25 1.61 2.96 -1.25 -4.99 118.68 114.06 3b4v s LEU 77 Ca -0.03 1.61 -0.02 0.00 -0.22 0.00 0.00 54.13 55.47 3b4v s LEU 77 Cb 0.08 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.20 3b4v s LEU 77 CO 0.86 -1.49 0.46 -0.75 -1.32 0.00 0.00 176.35 174.11 3b4v s LYS 78 N 5.20 3.55 -0.05 1.98 2.20 -1.26 -4.96 119.74 126.40 3b4v s LYS 78 Ca 0.79 -0.23 -0.25 0.00 -0.36 0.00 0.00 55.97 55.93 3b4v s LYS 78 Cb -0.26 -2.76 -0.04 0.00 -1.51 0.00 0.00 37.83 33.27 3b4v s LYS 78 CO 0.32 0.31 0.75 0.45 -0.36 0.00 0.00 175.35 176.82 3b4v s SER 79 N -3.26 7.05 -0.03 1.43 0.15 -1.26 -4.98 113.70 112.80 3b4v s SER 79 Ca 0.40 1.27 0.06 0.00 0.70 0.00 0.00 55.95 58.39 3b4v s SER 79 Cb -0.11 -2.44 -0.01 0.00 -1.71 0.00 0.00 66.02 61.75 3b4v s SER 79 CO 0.30 -0.14 -0.22 0.00 1.20 0.00 0.00 173.24 174.38 3b4v s VAL 82 N 6.28 0.14 0.20 0.00 -7.23 -0.57 -4.65 120.40 114.56 3b4v s VAL 82 Ca 0.72 -1.46 -0.31 0.00 -1.81 0.00 0.00 61.98 59.12 3b4v s VAL 82 Cb -0.19 -1.56 -0.10 0.00 0.56 0.00 0.00 36.38 35.08 3b4v s VAL 82 CO 0.33 -0.65 1.56 -2.84 -0.31 0.00 0.00 175.10 173.20 3b4v s PRO 83 N -3.92 4.21 -0.01 4.82 0.02 -1.26 -1.93 135.00 136.93 3b4v s PRO 83 Ca 0.10 2.39 0.18 0.00 0.02 0.00 0.00 61.00 63.69 3b4v s PRO 83 Cb 0.06 -3.13 -0.22 0.00 0.02 0.00 0.00 34.50 31.23 3b4v s PRO 83 CO -0.07 -0.59 0.68 0.25 -0.33 0.00 0.00 177.00 176.94 3b4v n THR 84 N 3.51 0.00 -3.60 0.99 -2.24 -0.14 -4.87 114.28 107.92 3b4v n THR 84 Ca 0.12 -0.16 -0.13 0.00 -2.27 0.00 0.00 64.05 61.61 3b4v n THR 84 Cb 0.38 0.77 -0.12 0.00 -2.10 0.00 0.00 70.33 69.26 3b4v n THR 84 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3b4v s LYS 85 N -2.85 0.21 0.40 -0.78 2.20 -1.15 -4.95 119.74 112.82 3b4v s LYS 85 Ca 0.03 0.71 0.08 0.00 -0.36 0.00 0.00 55.97 56.43 3b4v s LYS 85 Cb 0.13 -0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.29 3b4v s LYS 85 CO 0.75 -0.37 0.54 -0.51 -0.36 0.00 0.00 175.35 175.40 3b4v s LEU 86 N 2.46 3.70 0.02 5.43 1.43 -1.26 -0.37 118.68 130.09 3b4v s LEU 86 Ca 0.03 -0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 52.67 3b4v s LEU 86 Cb -0.13 -2.64 -0.01 0.00 0.03 0.00 0.00 46.19 43.45 3b4v s LEU 86 CO -0.11 -0.69 0.12 -0.60 0.23 0.00 0.00 176.35 175.30 3b4v s ARG 87 N -4.30 0.55 0.49 1.70 3.52 -0.14 -4.82 118.95 115.96 3b4v s ARG 87 Ca 0.53 -0.60 0.01 0.00 -0.13 0.00 0.00 55.73 55.53 3b4v s ARG 87 Cb -0.09 0.22 0.01 0.00 -1.56 0.00 0.00 34.95 33.53 3b4v s ARG 87 CO 0.32 -0.14 0.71 -1.25 -0.81 0.00 0.00 175.30 174.13 3b4v s PRO 88 N -2.11 2.81 0.01 5.12 0.04 -1.26 -0.69 135.00 138.93 3b4v s PRO 88 Ca -0.09 -0.67 0.01 0.00 0.04 0.00 0.00 61.00 60.29 3b4v s PRO 88 Cb -0.04 -2.54 -0.01 0.00 0.04 0.00 0.00 34.50 31.95 3b4v s PRO 88 CO -0.02 -0.47 -0.03 1.41 0.04 0.00 0.00 177.00 177.93 3b4v s MET 89 N -4.63 0.26 0.03 4.56 1.75 -0.01 -4.85 119.30 116.40 3b4v s MET 89 Ca 0.53 -0.41 -0.30 0.00 -1.25 0.00 0.00 55.69 54.26 3b4v s MET 89 Cb -0.10 -0.04 -0.05 0.00 2.84 0.00 0.00 34.83 37.48 3b4v s MET 89 CO 0.38 -0.00 1.22 0.45 -0.65 0.00 0.00 175.02 176.42 3b4v s SER 90 N -0.90 7.04 0.04 1.11 0.15 -1.26 0.52 113.70 120.40 3b4v s SER 90 Ca -0.08 1.98 0.05 0.00 0.70 0.00 0.00 55.95 58.60 3b4v s SER 90 Cb -0.06 -2.57 -0.02 0.00 -1.71 0.00 0.00 66.02 61.65 3b4v s SER 90 CO -0.00 -0.53 -0.15 -0.04 1.20 0.00 0.00 173.24 173.71 3b4v s MET 91 N 1.49 1.01 -0.19 5.44 -1.94 0.19 -4.75 119.30 120.56 3b4v s MET 91 Ca 0.59 -0.82 -0.02 0.00 -1.71 0.00 0.00 55.69 53.73 3b4v s MET 91 Cb -0.29 -1.05 -0.00 0.00 2.01 0.00 0.00 34.83 35.50 3b4v s MET 91 CO 0.27 0.26 -0.09 -1.17 -0.01 0.00 0.00 175.02 174.28 3b4v s LEU 92 N -1.22 2.72 0.21 -0.03 2.96 -0.51 -1.52 118.68 121.29 3b4v s LEU 92 Ca 0.02 -0.42 -0.09 0.00 -0.22 0.00 0.00 54.13 53.42 3b4v s LEU 92 Cb -0.08 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.93 3b4v s LEU 92 CO 0.02 0.03 0.35 -0.72 -1.32 0.00 0.00 176.35 174.71 3b4v s TYR 93 N 1.17 0.51 -0.14 5.38 -0.85 -0.16 -0.26 117.35 123.00 3b4v s TYR 93 Ca 0.02 -0.84 -0.13 0.00 -0.52 0.00 0.00 57.07 55.60 3b4v s TYR 93 Cb -0.14 -0.03 -0.05 0.00 0.38 0.00 0.00 41.96 42.12 3b4v s TYR 93 CO -0.03 -0.84 0.27 0.71 -1.52 0.00 0.00 175.55 174.14 3b4v s TYR 94 N -4.02 3.50 0.00 -3.49 1.51 0.16 -0.45 117.35 114.56 3b4v s TYR 94 Ca 0.23 0.60 0.00 0.00 -1.01 0.00 0.00 57.07 56.90 3b4v s TYR 94 Cb 0.02 -2.26 0.00 0.00 -0.11 0.00 0.00 41.96 39.61 3b4v s TYR 94 CO 0.06 0.35 0.00 -0.40 -1.11 0.00 0.00 175.55 174.45 3b4v n ASP 95 N 3.17 0.00 -0.30 2.29 5.68 -0.66 -4.86 116.55 121.87 3b4v n ASP 95 Ca -0.14 -0.87 0.08 0.00 -0.50 0.00 0.00 54.79 53.36 3b4v n ASP 95 Cb 0.52 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.74 3b4v n ASP 95 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 3b4v h ASP 96 N 0.00 0.50 -0.38 -1.12 3.58 -1.99 -1.07 116.42 115.95 3b4v h ASP 96 Ca 0.00 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.55 3b4v h ASP 96 Cb 0.00 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.08 3b4v h ASP 96 CO 0.00 0.19 0.00 0.61 -2.88 0.00 0.00 179.24 177.16 3b4v n GLY 97 N -1.33 0.96 2.28 -0.78 0.00 -1.26 -4.91 105.19 100.15 3b4v n GLY 97 Ca 0.18 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 3b4v n GLY 97 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3b4v n GLN 98 N 0.76 -0.95 -2.60 1.61 1.13 -0.40 -5.02 117.38 111.89 3b4v n GLN 98 Ca 0.16 0.72 -0.37 0.00 -1.94 0.00 0.00 57.00 55.56 3b4v n GLN 98 Cb 0.39 -4.86 -0.05 0.00 0.11 0.00 0.00 30.24 25.83 3b4v n GLN 98 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 3b4v s ASN 99 N -2.58 7.00 -0.36 1.08 0.01 -1.26 -4.75 114.94 114.08 3b4v s ASN 99 Ca 0.00 2.01 -0.29 0.00 -0.71 0.00 0.00 52.86 53.87 3b4v s ASN 99 Cb 0.00 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.09 3b4v s ASN 99 CO 0.00 -0.31 1.09 -0.63 -1.51 0.00 0.00 177.10 175.73 3b4v s ILE 100 N -1.57 4.44 -0.12 0.60 1.01 -1.26 -1.66 121.20 122.64 3b4v s ILE 100 Ca 0.54 1.61 0.03 0.00 0.00 0.00 0.00 60.65 62.83 3b4v s ILE 100 Cb -0.22 -4.46 0.00 0.00 0.01 0.00 0.00 42.46 37.79 3b4v s ILE 100 CO 0.28 -0.61 -0.23 -0.63 0.00 0.00 0.00 174.94 173.76 3b4v s ILE 101 N 3.84 2.07 -0.21 2.92 -1.09 0.40 -4.98 121.20 124.15 3b4v s ILE 101 Ca 0.46 -1.00 -0.05 0.00 -2.23 0.00 0.00 60.65 57.84 3b4v s ILE 101 Cb -0.11 -1.81 -0.02 0.00 -1.58 0.00 0.00 42.46 38.95 3b4v s ILE 101 CO 0.19 0.55 -0.01 -0.75 -1.23 0.00 0.00 174.94 173.70 3b4v s LYS 102 N 0.57 3.54 -0.05 2.79 2.20 -1.26 -0.98 119.74 126.55 3b4v s LYS 102 Ca -0.13 -0.56 -0.22 0.00 -0.36 0.00 0.00 55.97 54.70 3b4v s LYS 102 Cb -0.17 -3.07 0.05 0.00 -1.51 0.00 0.00 37.83 33.13 3b4v s LYS 102 CO 0.04 -0.07 0.49 0.21 -0.36 0.00 0.00 175.35 175.65 3b4v s LYS 103 N 1.20 0.83 0.04 4.03 2.20 -0.57 -4.98 119.74 122.48 3b4v s LYS 103 Ca 0.03 0.09 -0.30 0.00 -0.36 0.00 0.00 55.97 55.43 3b4v s LYS 103 Cb -0.15 0.38 -0.07 0.00 -1.51 0.00 0.00 37.83 36.49 3b4v s LYS 103 CO 0.01 -0.23 1.48 -0.51 -0.36 0.00 0.00 175.35 175.73 3b4v s ASP 104 N -1.10 6.77 -0.18 1.43 -0.00 -1.26 -0.64 116.67 121.69 3b4v s ASP 104 Ca -0.11 2.26 -0.05 0.00 -0.00 0.00 0.00 52.55 54.64 3b4v s ASP 104 Cb -0.03 -2.56 -0.03 0.00 -0.00 0.00 0.00 42.92 40.30 3b4v s ASP 104 CO 0.06 -0.76 0.01 -0.63 -0.00 0.00 0.00 175.17 173.84 3b4v s ILE 105 N 2.31 4.17 0.78 0.77 -1.09 0.18 -4.90 121.20 123.43 3b4v s ILE 105 Ca 0.67 -0.25 -0.10 0.00 -2.23 0.00 0.00 60.65 58.74 3b4v s ILE 105 Cb -0.35 -2.87 0.09 0.00 -1.58 0.00 0.00 42.46 37.76 3b4v s ILE 105 CO 0.29 0.46 1.12 -1.10 -1.23 0.00 0.00 174.94 174.48 3b4v s GLN 106 N 0.60 1.87 -1.41 2.79 -1.52 -1.26 -0.83 119.66 119.89 3b4v s GLN 106 Ca -0.00 -0.16 -0.10 0.00 -1.95 0.00 0.00 55.36 53.15 3b4v s GLN 106 Cb -0.14 -2.04 0.03 0.00 -0.22 0.00 0.00 33.01 30.64 3b4v s GLN 106 CO 0.02 -1.55 1.13 0.09 -0.25 0.00 0.00 175.29 174.73 3b4v n ASN 107 N -3.20 -5.93 -0.12 5.90 3.02 -1.18 -4.86 115.26 108.88 3b4v n ASN 107 Ca 0.09 -0.61 -0.21 0.00 -0.03 0.00 0.00 54.58 53.82 3b4v n ASN 107 Cb 0.61 -4.69 -0.10 0.00 -0.61 0.00 0.00 39.78 34.98 3b4v n ASN 107 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3b4v n MET 108 N -4.92 0.57 -5.13 3.52 2.81 0.14 -4.89 117.12 109.22 3b4v n MET 108 Ca 0.02 0.18 -0.32 0.00 -1.81 0.00 0.00 57.70 55.77 3b4v n MET 108 Cb 0.55 -1.45 -0.16 0.00 -0.71 0.00 0.00 33.22 31.45 3b4v n MET 108 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3b4v s ILE 109 N -2.47 2.30 0.03 2.02 1.01 -0.80 -4.73 121.20 118.56 3b4v s ILE 109 Ca -0.33 -0.95 -0.30 0.00 0.00 0.00 0.00 60.65 59.06 3b4v s ILE 109 Cb 0.10 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.63 3b4v s ILE 109 CO 0.51 0.56 1.26 -0.69 0.00 0.00 0.00 174.94 176.58 3b4v s VAL 110 N 0.14 3.91 -0.12 2.92 1.01 -0.64 -0.96 120.40 126.66 3b4v s VAL 110 Ca -0.12 1.34 0.01 0.00 0.00 0.00 0.00 61.98 63.22 3b4v s VAL 110 Cb -0.16 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.28 3b4v s VAL 110 CO 0.06 0.06 -0.11 1.21 0.00 0.00 0.00 175.10 176.33 3b4v n GLU 111 N 4.44 0.40 -4.04 2.72 4.07 0.50 -4.81 120.64 123.92 3b4v n GLU 111 Ca 0.10 0.07 -0.13 0.00 -0.06 0.00 0.00 57.16 57.15 3b4v n GLU 111 Cb 0.45 -1.25 -0.12 0.00 -0.06 0.00 0.00 31.44 30.46 3b4v n GLU 111 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 3b4v s GLU 112 N -2.25 0.39 0.12 5.31 2.02 -1.10 -4.98 118.70 118.20 3b4v s GLU 112 Ca -0.16 -0.50 0.10 0.00 0.02 0.00 0.00 54.97 54.43 3b4v s GLU 112 Cb 0.04 -0.19 -0.04 0.00 0.10 0.00 0.00 34.13 34.05 3b4v s GLU 112 CO 0.29 0.03 -0.25 0.00 0.02 0.00 0.00 175.26 175.36 3b4v s GLY 114 N -2.01 -0.19 0.16 0.00 0.00 -0.82 -4.31 107.32 100.16 3b4v s GLY 114 Ca 0.15 -0.05 -0.25 0.00 0.00 0.00 0.00 44.72 44.57 3b4v s GLY 114 CO 0.07 -0.02 0.76 0.00 0.00 0.00 0.00 173.10 173.91