#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3l3d s GLN 2 N 0.00 0.50 -0.03 9.51 -0.21 -1.26 -4.75 119.66 123.42 3l3d s GLN 2 Ca 0.00 -0.56 0.02 0.00 0.02 0.00 0.00 55.36 54.84 3l3d s GLN 2 Cb 0.00 -0.35 0.01 0.00 1.00 0.00 0.00 33.01 33.67 3l3d s GLN 2 CO 0.00 0.08 -0.09 1.03 -2.12 0.00 0.00 175.29 174.18 3l3d s ARG 3 N -1.07 1.05 0.25 2.91 0.52 0.17 -4.95 118.95 117.84 3l3d s ARG 3 Ca -0.06 -0.30 -0.19 0.00 -0.52 0.00 0.00 55.73 54.66 3l3d s ARG 3 Cb -0.07 -0.97 -0.08 0.00 0.52 0.00 0.00 34.95 34.35 3l3d s ARG 3 CO 0.00 0.09 0.73 -0.08 0.02 0.00 0.00 175.30 176.06 3l3d s THR 4 N 0.32 4.58 0.33 0.02 -1.32 -1.26 -1.60 115.64 116.71 3l3d s THR 4 Ca -0.05 1.23 -0.28 0.00 -1.21 0.00 0.00 61.69 61.38 3l3d s THR 4 Cb -0.10 -3.81 -0.09 0.00 -1.51 0.00 0.00 72.50 66.99 3l3d s THR 4 CO 0.01 0.12 1.13 -2.16 -2.21 0.00 0.00 174.62 171.51 3l3d s PRO 5 N -2.20 4.41 0.39 7.08 0.04 -1.26 -4.34 135.00 139.12 3l3d s PRO 5 Ca 0.46 1.82 -0.18 0.00 0.04 0.00 0.00 61.00 63.14 3l3d s PRO 5 Cb -0.15 -2.97 -0.10 0.00 0.04 0.00 0.00 34.50 31.32 3l3d s PRO 5 CO 0.20 -0.00 0.86 0.15 0.04 0.00 0.00 177.00 178.25 3l3d s LYS 6 N -1.82 4.09 -0.04 4.56 1.02 0.23 -4.90 119.74 122.87 3l3d s LYS 6 Ca 0.50 0.89 0.00 0.00 0.02 0.00 0.00 55.97 57.37 3l3d s LYS 6 Cb -0.31 -2.29 0.03 0.00 -0.52 0.00 0.00 37.83 34.74 3l3d s LYS 6 CO 0.40 0.02 -0.00 0.42 -0.92 0.00 0.00 175.35 175.27 3l3d s ILE 7 N -2.16 0.26 -0.05 2.17 1.01 -1.26 -2.03 121.20 119.15 3l3d s ILE 7 Ca 0.58 0.08 0.03 0.00 0.00 0.00 0.00 60.65 61.34 3l3d s ILE 7 Cb -0.10 -0.37 0.01 0.00 0.01 0.00 0.00 42.46 42.01 3l3d s ILE 7 CO 0.18 0.18 -0.11 -1.10 0.00 0.00 0.00 174.94 174.09 3l3d s GLN 8 N 1.27 1.39 -0.11 2.79 -0.21 -0.74 -5.01 119.66 119.05 3l3d s GLN 8 Ca -0.06 -0.38 0.03 0.00 0.02 0.00 0.00 55.36 54.96 3l3d s GLN 8 Cb -0.13 -1.21 -0.00 0.00 1.00 0.00 0.00 33.01 32.66 3l3d s GLN 8 CO -0.02 0.08 -0.20 0.08 -2.12 0.00 0.00 175.29 173.11 3l3d s VAL 9 N 0.43 2.40 0.06 1.09 1.01 -1.26 -1.09 120.40 123.04 3l3d s VAL 9 Ca -0.09 -0.90 -0.28 0.00 0.00 0.00 0.00 61.98 60.72 3l3d s VAL 9 Cb -0.13 -1.95 0.09 0.00 0.00 0.00 0.00 36.38 34.39 3l3d s VAL 9 CO 0.02 0.55 0.99 -0.72 0.00 0.00 0.00 175.10 175.94 3l3d s TYR 10 N 0.36 -0.19 0.19 5.22 1.13 -0.77 -4.63 117.35 118.67 3l3d s TYR 10 Ca -0.16 -0.02 0.04 0.00 -1.41 0.00 0.00 57.07 55.53 3l3d s TYR 10 Cb -0.17 0.59 -0.03 0.00 -1.10 0.00 0.00 41.96 41.24 3l3d s TYR 10 CO 0.08 -0.62 0.27 -1.54 -2.51 0.00 0.00 175.55 171.23 3l3d s SER 11 N -2.75 6.12 0.16 -0.18 1.04 -1.26 -0.09 113.70 116.74 3l3d s SER 11 Ca 0.10 0.05 -0.12 0.00 0.48 0.00 0.00 55.95 56.46 3l3d s SER 11 Cb -0.00 -1.77 0.04 0.00 0.10 0.00 0.00 66.02 64.38 3l3d s SER 11 CO -0.03 0.01 1.64 -0.09 0.98 0.00 0.00 173.24 175.75 3l3d h ARG 12 N 1.83 0.89 -6.19 4.02 2.43 -1.60 -3.45 114.38 112.31 3l3d h ARG 12 Ca -0.49 -0.25 -0.61 0.00 -0.81 0.00 0.00 59.98 57.82 3l3d h ARG 12 Cb 1.21 -0.10 -0.14 0.00 -0.42 0.00 0.00 29.97 30.53 3l3d h ARG 12 CO 0.65 0.88 -0.74 -1.01 -1.51 0.00 0.00 179.97 178.23 3l3d s HIS 13 N -5.16 2.33 0.26 2.20 3.76 -1.26 -5.03 115.29 112.39 3l3d s HIS 13 Ca -0.12 -0.33 -0.30 0.00 -0.15 0.00 0.00 55.06 54.15 3l3d s HIS 13 Cb 0.12 -1.04 -0.14 0.00 1.11 0.00 0.00 32.58 32.63 3l3d s HIS 13 CO 0.82 0.70 1.22 -2.30 -0.85 0.00 0.00 174.74 174.33 3l3d n PRO 14 N -0.66 1.67 -2.75 8.40 -0.02 -1.26 -4.89 135.00 135.49 3l3d n PRO 14 Ca -0.05 0.59 -0.41 0.00 -2.02 0.00 0.00 63.50 61.61 3l3d n PRO 14 Cb 0.60 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.93 3l3d n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3l3d s ALA 15 N -0.55 3.21 -0.16 3.55 0.00 -1.26 -5.03 121.76 121.52 3l3d s ALA 15 Ca 0.64 0.52 -0.02 0.00 0.00 0.00 0.00 51.96 53.11 3l3d s ALA 15 Cb -0.69 -3.28 0.05 0.00 0.00 0.00 0.00 23.12 19.20 3l3d s ALA 15 CO 0.55 -0.12 0.00 -2.00 0.00 0.00 0.00 175.76 174.19 3l3d s GLU 16 N 0.53 0.89 0.02 0.00 2.12 -1.26 -5.11 118.70 115.89 3l3d s GLU 16 Ca 0.49 -0.37 -0.39 0.00 0.36 0.00 0.00 54.97 55.06 3l3d s GLU 16 Cb -0.22 -1.88 -0.19 0.00 0.26 0.00 0.00 34.13 32.10 3l3d s GLU 16 CO 0.28 -0.52 1.12 0.09 -0.54 0.00 0.00 175.26 175.70 3l3d n ASN 17 N 5.01 0.34 0.00 -1.70 3.02 -1.26 -0.68 115.26 119.99 3l3d n ASN 17 Ca -0.09 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.61 3l3d n ASN 17 Cb 0.48 -0.98 0.00 0.00 -0.61 0.00 0.00 39.78 38.67 3l3d n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3l3d n GLY 18 N 1.73 0.67 3.46 7.41 0.00 0.95 -4.99 105.19 114.42 3l3d n GLY 18 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 3l3d n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3l3d s LYS 19 N -0.11 3.61 0.31 1.61 2.20 0.15 -4.97 119.74 122.53 3l3d s LYS 19 Ca 0.00 -0.55 -0.30 0.00 -0.36 0.00 0.00 55.97 54.77 3l3d s LYS 19 Cb 0.00 -2.91 -0.11 0.00 -1.51 0.00 0.00 37.83 33.30 3l3d s LYS 19 CO 0.00 0.18 1.59 0.45 -0.36 0.00 0.00 175.35 177.20 3l3d n SER 20 N 3.72 3.89 -1.63 1.43 2.88 -1.26 -4.12 113.62 118.52 3l3d n SER 20 Ca -0.17 1.16 -0.05 0.00 -1.33 0.00 0.00 58.87 58.48 3l3d n SER 20 Cb 0.52 -1.60 -0.01 0.00 -0.75 0.00 0.00 64.21 62.37 3l3d n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3l3d n ASN 21 N 1.89 -0.39 -4.19 -3.46 2.85 0.95 -4.99 115.26 107.92 3l3d n ASN 21 Ca 0.07 -1.61 -0.29 0.00 -0.11 0.00 0.00 54.58 52.65 3l3d n ASN 21 Cb 0.37 0.75 -0.16 0.00 1.24 0.00 0.00 39.78 41.98 3l3d n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3l3d s PHE 22 N -4.03 2.05 -0.22 1.20 0.40 -1.26 -2.03 117.98 114.09 3l3d s PHE 22 Ca 0.10 -0.61 -0.13 0.00 -0.60 0.00 0.00 56.93 55.69 3l3d s PHE 22 Cb -0.00 -1.36 -0.05 0.00 0.51 0.00 0.00 43.02 42.12 3l3d s PHE 22 CO 0.07 -0.20 0.25 -1.17 0.70 0.00 0.00 175.22 174.87 3l3d s LEU 23 N -0.03 4.14 -0.00 -0.37 2.96 0.23 -1.34 118.68 124.27 3l3d s LEU 23 Ca -0.04 0.28 0.06 0.00 -0.22 0.00 0.00 54.13 54.21 3l3d s LEU 23 Cb -0.13 -2.26 -0.03 0.00 0.50 0.00 0.00 46.19 44.27 3l3d s LEU 23 CO 0.03 0.02 -0.17 0.20 -1.32 0.00 0.00 176.35 175.11 3l3d s ASN 24 N 0.98 3.84 -0.13 3.68 0.01 0.87 -1.85 114.94 122.33 3l3d s ASN 24 Ca 0.12 -0.32 -0.01 0.00 -0.71 0.00 0.00 52.86 51.94 3l3d s ASN 24 Cb -0.14 -0.70 0.03 0.00 0.41 0.00 0.00 41.25 40.86 3l3d s ASN 24 CO 0.05 0.30 -0.06 0.00 -1.51 0.00 0.00 177.10 175.89 3l3d s TYR 26 N 1.70 3.14 -0.08 0.00 5.04 -0.25 -0.50 117.35 126.41 3l3d s TYR 26 Ca 0.03 -0.51 -0.00 0.00 -2.44 0.00 0.00 57.07 54.15 3l3d s TYR 26 Cb -0.14 -2.29 -0.03 0.00 0.35 0.00 0.00 41.96 39.85 3l3d s TYR 26 CO -0.08 -0.41 -0.04 0.14 -1.34 0.00 0.00 175.55 173.83 3l3d s VAL 27 N 1.61 3.96 0.26 3.14 -7.23 -0.24 -1.78 120.40 120.12 3l3d s VAL 27 Ca 0.05 -0.38 -0.16 0.00 -1.81 0.00 0.00 61.98 59.69 3l3d s VAL 27 Cb -0.16 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.14 3l3d s VAL 27 CO 0.05 0.60 0.56 -0.94 -0.31 0.00 0.00 175.10 175.06 3l3d s SER 28 N -0.84 -0.15 -0.95 4.85 1.04 -0.86 -0.89 113.70 115.90 3l3d s SER 28 Ca 0.13 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.75 3l3d s SER 28 Cb -0.11 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.64 3l3d s SER 28 CO 0.02 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 173.64 3l3d n GLY 29 N -0.41 1.04 3.75 7.32 0.00 -0.61 -0.60 105.19 115.67 3l3d n GLY 29 Ca -0.03 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 3l3d n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3l3d s PHE 30 N -2.21 3.03 -0.26 1.61 -0.12 -1.20 -4.36 117.98 114.47 3l3d s PHE 30 Ca 0.00 -0.06 -0.16 0.00 -0.05 0.00 0.00 56.93 56.66 3l3d s PHE 30 Cb 0.00 -1.46 0.08 0.00 -0.63 0.00 0.00 43.02 41.01 3l3d s PHE 30 CO 0.00 0.52 0.66 -1.58 -0.05 0.00 0.00 175.22 174.77 3l3d s HIS 31 N -1.75 -0.99 0.78 3.49 2.46 -0.63 -0.90 115.29 117.75 3l3d s HIS 31 Ca 0.30 2.01 -0.13 0.00 0.47 0.00 0.00 55.06 57.71 3l3d s HIS 31 Cb -0.10 0.56 0.18 0.00 -0.13 0.00 0.00 32.58 33.10 3l3d s HIS 31 CO 0.22 -0.49 0.90 -0.35 -2.47 0.00 0.00 174.74 172.55 3l3d n PRO 32 N 4.18 -1.53 0.18 2.88 -0.04 -1.26 -0.65 135.00 138.76 3l3d n PRO 32 Ca -0.20 -1.41 0.09 0.00 -0.04 0.00 0.00 63.50 61.94 3l3d n PRO 32 Cb 0.58 -1.06 0.11 0.00 -0.04 0.00 0.00 33.50 33.09 3l3d n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3l3d h SER 33 N -1.62 0.00 -3.20 3.54 4.64 -1.99 -3.45 113.55 111.46 3l3d h SER 33 Ca -0.31 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.49 3l3d h SER 33 Cb 0.88 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.02 3l3d h SER 33 CO 0.21 0.15 0.81 -1.81 -0.87 0.00 0.00 176.83 175.32 3l3d s ASP 34 N -6.19 6.61 -0.06 4.97 1.01 -1.26 -4.98 116.67 116.77 3l3d s ASP 34 Ca 0.05 2.68 -0.28 0.00 0.71 0.00 0.00 52.55 55.71 3l3d s ASP 34 Cb 0.06 -2.61 0.06 0.00 1.01 0.00 0.00 42.92 41.44 3l3d s ASP 34 CO 0.70 -0.76 0.62 -0.51 0.21 0.00 0.00 175.17 175.44 3l3d s ILE 35 N 0.35 0.01 -0.15 0.77 2.07 -1.26 -4.63 121.20 118.36 3l3d s ILE 35 Ca 0.63 -0.07 0.02 0.00 -1.41 0.00 0.00 60.65 59.82 3l3d s ILE 35 Cb -0.43 -0.93 0.01 0.00 0.13 0.00 0.00 42.46 41.24 3l3d s ILE 35 CO 0.40 -0.04 -0.21 -0.70 -1.91 0.00 0.00 174.94 172.48 3l3d s GLU 36 N -1.09 3.00 -0.07 3.50 2.12 -0.07 -4.99 118.70 121.09 3l3d s GLU 36 Ca -0.11 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 54.38 3l3d s GLU 36 Cb -0.01 -2.46 0.02 0.00 0.26 0.00 0.00 34.13 31.94 3l3d s GLU 36 CO 0.08 -0.06 -0.05 0.08 -0.54 0.00 0.00 175.26 174.77 3l3d s VAL 37 N 0.93 0.73 0.14 3.70 1.01 -1.26 -0.54 120.40 125.11 3l3d s VAL 37 Ca -0.04 -0.17 0.11 0.00 0.00 0.00 0.00 61.98 61.88 3l3d s VAL 37 Cb -0.15 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 3l3d s VAL 37 CO -0.05 0.29 -0.25 -1.81 0.00 0.00 0.00 175.10 173.28 3l3d s ASP 38 N 1.36 3.41 -0.16 3.32 1.01 0.11 -4.98 116.67 120.74 3l3d s ASP 38 Ca -0.03 -0.74 -0.06 0.00 0.71 0.00 0.00 52.55 52.43 3l3d s ASP 38 Cb -0.14 -0.27 -0.04 0.00 1.01 0.00 0.00 42.92 43.49 3l3d s ASP 38 CO -0.03 0.17 0.05 -0.76 0.21 0.00 0.00 175.17 174.81 3l3d s LEU 39 N -2.15 3.79 -0.07 1.23 1.43 -1.26 -0.51 118.68 121.14 3l3d s LEU 39 Ca 0.15 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.38 3l3d s LEU 39 Cb -0.10 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 3l3d s LEU 39 CO 0.07 0.23 -0.09 -0.76 0.23 0.00 0.00 176.35 176.03 3l3d s LEU 40 N 0.04 3.02 -0.22 1.79 1.43 -0.41 -0.22 118.68 124.11 3l3d s LEU 40 Ca 0.05 -0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.05 3l3d s LEU 40 Cb -0.12 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.47 3l3d s LEU 40 CO 0.01 0.34 -0.10 -0.75 0.23 0.00 0.00 176.35 176.07 3l3d s LYS 41 N -0.66 2.96 -1.46 1.70 2.20 0.29 -2.24 119.74 122.52 3l3d s LYS 41 Ca 0.10 -0.88 -0.04 0.00 -0.36 0.00 0.00 55.97 54.79 3l3d s LYS 41 Cb -0.11 -2.86 0.03 0.00 -1.51 0.00 0.00 37.83 33.38 3l3d s LYS 41 CO 0.01 -0.31 0.52 0.09 -0.36 0.00 0.00 175.35 175.30 3l3d n ASN 42 N 4.67 -1.10 0.00 1.43 3.02 0.12 -1.34 115.26 122.06 3l3d n ASN 42 Ca -0.18 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 3l3d n ASN 42 Cb 0.48 -3.07 0.00 0.00 -0.61 0.00 0.00 39.78 36.58 3l3d n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3l3d n GLY 43 N -1.86 2.69 3.78 7.41 0.00 -1.26 -5.02 105.19 110.93 3l3d n GLY 43 Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 3l3d n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3l3d s GLU 44 N -0.10 2.95 0.03 1.61 0.41 -0.45 -4.99 118.70 118.16 3l3d s GLU 44 Ca 0.00 -0.62 -0.30 0.00 -0.41 0.00 0.00 54.97 53.64 3l3d s GLU 44 Cb 0.00 -2.77 -0.06 0.00 -1.78 0.00 0.00 34.13 29.51 3l3d s GLU 44 CO 0.00 0.59 1.49 0.50 -0.49 0.00 0.00 175.26 177.36 3l3d s ARG 45 N -2.17 4.25 0.13 1.61 3.52 -1.26 -0.55 118.95 124.48 3l3d s ARG 45 Ca 0.27 2.10 -0.30 0.00 -0.13 0.00 0.00 55.73 57.67 3l3d s ARG 45 Cb -0.12 -3.58 -0.07 0.00 -1.56 0.00 0.00 34.95 29.62 3l3d s ARG 45 CO 0.19 -0.63 1.17 0.42 -0.81 0.00 0.00 175.30 175.64 3l3d s ILE 46 N 2.49 3.85 0.50 4.11 1.01 0.70 -4.88 121.20 128.98 3l3d s ILE 46 Ca 0.67 1.47 -0.18 0.00 0.00 0.00 0.00 60.65 62.61 3l3d s ILE 46 Cb -0.34 -3.94 -0.08 0.00 0.01 0.00 0.00 42.46 38.11 3l3d s ILE 46 CO 0.29 0.19 0.98 -1.61 0.00 0.00 0.00 174.94 174.79 3l3d s GLU 47 N 0.27 3.97 -1.74 2.79 2.02 -1.26 -4.29 118.70 120.46 3l3d s GLU 47 Ca 0.54 1.02 0.00 0.00 0.02 0.00 0.00 54.97 56.55 3l3d s GLU 47 Cb -0.30 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 31.79 3l3d s GLU 47 CO 0.33 -0.25 0.00 1.63 0.02 0.00 0.00 175.26 176.99 3l3d n LYS 48 N -1.38 -1.53 -1.74 1.61 5.02 -1.26 -4.97 118.16 113.91 3l3d n LYS 48 Ca 0.07 0.99 -0.42 0.00 -2.02 0.00 0.00 58.31 56.93 3l3d n LYS 48 Cb 0.54 -5.53 -0.01 0.00 -0.02 0.00 0.00 35.03 30.01 3l3d n LYS 48 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3l3d n VAL 49 N -3.76 1.44 -3.76 -0.18 0.31 -1.26 -4.99 118.33 106.13 3l3d n VAL 49 Ca -0.23 -0.36 -0.21 0.00 -0.01 0.00 0.00 64.34 63.54 3l3d n VAL 49 Cb 0.67 -1.87 -0.03 0.00 -0.91 0.00 0.00 33.84 31.70 3l3d n VAL 49 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3l3d s GLU 50 N -1.17 2.92 0.05 5.55 2.02 -0.62 -4.92 118.70 122.54 3l3d s GLU 50 Ca 0.60 -1.14 -0.02 0.00 0.02 0.00 0.00 54.97 54.43 3l3d s GLU 50 Cb -0.51 -2.62 -0.03 0.00 0.10 0.00 0.00 34.13 31.06 3l3d s GLU 50 CO 0.55 0.15 -0.00 -3.38 0.02 0.00 0.00 175.26 172.60 3l3d s HIS 51 N -2.22 0.46 0.93 1.61 -3.43 -1.26 -1.08 115.29 110.30 3l3d s HIS 51 Ca 0.41 -0.99 -0.12 0.00 -0.80 0.00 0.00 55.06 53.56 3l3d s HIS 51 Cb -0.07 -0.34 0.15 0.00 -1.43 0.00 0.00 32.58 30.89 3l3d s HIS 51 CO 0.28 -0.40 1.12 -1.54 -2.00 0.00 0.00 174.74 172.21 3l3d s SER 52 N -2.87 3.30 0.22 7.38 1.04 0.05 -4.99 113.70 117.84 3l3d s SER 52 Ca 0.06 1.04 -0.30 0.00 0.48 0.00 0.00 55.95 57.23 3l3d s SER 52 Cb 0.07 -1.65 -0.09 0.00 0.10 0.00 0.00 66.02 64.46 3l3d s SER 52 CO -0.10 -2.69 0.94 -1.81 0.98 0.00 0.00 173.24 170.56 3l3d s ASP 53 N -3.87 7.63 -0.09 7.02 1.01 -1.26 -4.78 116.67 122.34 3l3d s ASP 53 Ca 0.64 1.93 -0.35 0.00 0.71 0.00 0.00 52.55 55.48 3l3d s ASP 53 Cb -0.16 -2.61 -0.13 0.00 1.01 0.00 0.00 42.92 41.04 3l3d s ASP 53 CO 0.54 0.14 1.83 -0.11 0.21 0.00 0.00 175.17 177.78 3l3d n LEU 54 N 1.63 3.25 0.00 1.23 7.94 -1.26 -4.93 117.00 124.86 3l3d n LEU 54 Ca -0.02 1.00 -0.11 0.00 -1.11 0.00 0.00 56.01 55.77 3l3d n LEU 54 Cb 0.47 -1.34 -0.04 0.00 0.53 0.00 0.00 43.42 43.04 3l3d n LEU 54 CO 0.50 -0.14 -0.05 -0.24 -1.11 0.00 0.00 177.39 176.35 3l3d n SER 55 N 6.09 -0.43 -3.62 1.96 2.88 -1.24 -5.06 113.62 114.21 3l3d n SER 55 Ca 0.23 -2.26 -0.11 0.00 -1.33 0.00 0.00 58.87 55.39 3l3d n SER 55 Cb 0.27 0.99 -0.05 0.00 -0.75 0.00 0.00 64.21 64.67 3l3d n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3l3d s PHE 56 N -2.83 -0.27 0.81 0.66 -0.71 -1.26 -1.87 117.98 112.51 3l3d s PHE 56 Ca 0.23 0.07 -0.04 0.00 -1.04 0.00 0.00 56.93 56.14 3l3d s PHE 56 Cb 0.01 0.28 0.17 0.00 -1.21 0.00 0.00 43.02 42.27 3l3d s PHE 56 CO 0.16 -0.67 1.11 -1.12 -1.34 0.00 0.00 175.22 173.36 3l3d s SER 57 N -2.51 3.83 0.50 1.98 0.01 0.25 -4.92 113.70 112.84 3l3d s SER 57 Ca -0.00 -0.34 0.23 0.00 1.31 0.00 0.00 55.95 57.16 3l3d s SER 57 Cb 0.01 0.15 1.32 0.00 0.21 0.00 0.00 66.02 67.71 3l3d s SER 57 CO -0.09 -2.23 2.05 0.11 0.41 0.00 0.00 173.24 173.49 3l3d h LYS 58 N -0.90 0.00 -0.51 12.44 1.57 -2.03 -0.80 116.57 126.34 3l3d h LYS 58 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 3l3d h LYS 58 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3l3d h LYS 58 CO 0.36 0.14 0.00 -0.40 -0.57 0.00 0.00 179.45 178.98 3l3d n ASP 59 N -3.85 2.05 0.00 0.86 5.75 -1.26 -4.89 116.55 115.21 3l3d n ASP 59 Ca -0.02 -2.14 0.00 0.00 -0.01 0.00 0.00 54.79 52.61 3l3d n ASP 59 Cb 0.24 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 3l3d n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3l3d n TRP 60 N 0.30 0.00 -2.68 2.11 7.02 -0.31 -5.01 117.44 118.87 3l3d n TRP 60 Ca 0.10 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.23 3l3d n TRP 60 Cb 0.39 -0.40 -0.05 0.00 -2.42 0.00 0.00 31.31 28.83 3l3d n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3l3d s SER 61 N -2.86 6.91 0.39 -0.99 1.04 -1.26 -4.68 113.70 112.25 3l3d s SER 61 Ca 0.00 1.88 -0.07 0.00 0.48 0.00 0.00 55.95 58.24 3l3d s SER 61 Cb 0.00 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.50 3l3d s SER 61 CO 0.00 -0.38 0.71 -0.36 0.98 0.00 0.00 173.24 174.19 3l3d s PHE 62 N -1.82 3.50 0.01 5.02 0.08 -0.08 -0.58 117.98 124.10 3l3d s PHE 62 Ca 0.58 0.85 -0.03 0.00 0.12 0.00 0.00 56.93 58.45 3l3d s PHE 62 Cb -0.17 -2.29 -0.01 0.00 -0.57 0.00 0.00 43.02 39.97 3l3d s PHE 62 CO 0.22 -0.06 0.04 1.52 -0.10 0.00 0.00 175.22 176.83 3l3d s TYR 63 N -2.38 0.17 -0.05 0.36 -0.85 -0.78 -1.57 117.35 112.25 3l3d s TYR 63 Ca 0.48 -0.37 -0.07 0.00 -0.52 0.00 0.00 57.07 56.59 3l3d s TYR 63 Cb -0.10 -0.13 0.01 0.00 0.38 0.00 0.00 41.96 42.12 3l3d s TYR 63 CO 0.34 -0.23 0.18 -0.51 -1.52 0.00 0.00 175.55 173.82 3l3d s LEU 64 N -1.42 1.34 -0.21 -3.49 1.43 -0.07 -3.62 118.68 112.64 3l3d s LEU 64 Ca -0.15 0.20 -0.06 0.00 -1.03 0.00 0.00 54.13 53.09 3l3d s LEU 64 Cb -0.09 0.68 -0.02 0.00 0.03 0.00 0.00 46.19 46.79 3l3d s LEU 64 CO 0.00 -0.17 0.02 -0.22 0.23 0.00 0.00 176.35 176.21 3l3d s LEU 65 N -0.39 3.29 -0.10 1.79 2.96 -1.26 -1.08 118.68 123.89 3l3d s LEU 65 Ca -0.05 -0.21 -0.04 0.00 -0.22 0.00 0.00 54.13 53.61 3l3d s LEU 65 Cb -0.03 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 3l3d s LEU 65 CO 0.01 0.04 0.07 -0.31 -1.32 0.00 0.00 176.35 174.84 3l3d s TYR 66 N 1.18 3.39 0.03 5.38 1.51 0.35 -0.77 117.35 128.41 3l3d s TYR 66 Ca 0.03 0.37 -0.20 0.00 -1.01 0.00 0.00 57.07 56.26 3l3d s TYR 66 Cb -0.14 -1.87 0.04 0.00 -0.11 0.00 0.00 41.96 39.88 3l3d s TYR 66 CO 0.02 0.61 0.44 1.52 -1.11 0.00 0.00 175.55 177.03 3l3d s TYR 67 N -0.96 -0.32 -0.05 2.71 1.13 -0.24 -0.02 117.35 119.59 3l3d s TYR 67 Ca 0.14 0.37 -0.21 0.00 -1.41 0.00 0.00 57.07 55.96 3l3d s TYR 67 Cb -0.12 0.24 0.04 0.00 -1.10 0.00 0.00 41.96 41.03 3l3d s TYR 67 CO 0.03 -0.56 0.47 -0.08 -2.51 0.00 0.00 175.55 172.90 3l3d s THR 68 N -2.16 0.03 0.45 -3.49 -1.32 -0.77 -1.58 115.64 106.79 3l3d s THR 68 Ca -0.07 -0.24 -0.25 0.00 -1.21 0.00 0.00 61.69 59.92 3l3d s THR 68 Cb -0.01 -0.77 -0.08 0.00 -1.51 0.00 0.00 72.50 70.13 3l3d s THR 68 CO 0.00 -0.13 1.42 -1.61 -2.21 0.00 0.00 174.62 172.09 3l3d s GLU 69 N -1.08 3.70 -0.05 7.08 2.02 -1.26 -0.60 118.70 128.51 3l3d s GLU 69 Ca -0.11 2.41 -0.27 0.00 0.02 0.00 0.00 54.97 57.01 3l3d s GLU 69 Cb -0.03 -2.66 0.06 0.00 0.10 0.00 0.00 34.13 31.60 3l3d s GLU 69 CO 0.06 -0.80 0.60 -0.59 0.02 0.00 0.00 175.26 174.55 3l3d s PHE 70 N -1.20 -0.56 -0.34 1.61 -0.00 -0.86 -4.79 117.98 111.83 3l3d s PHE 70 Ca 0.61 0.97 -0.00 0.00 -0.00 0.00 0.00 56.93 58.50 3l3d s PHE 70 Cb -0.43 0.34 0.08 0.00 -0.00 0.00 0.00 43.02 43.01 3l3d s PHE 70 CO 0.56 -0.56 0.06 0.99 -0.00 0.00 0.00 175.22 176.28 3l3d s THR 71 N -1.17 2.86 0.59 -4.49 2.01 -1.26 -0.03 115.64 114.14 3l3d s THR 71 Ca -0.11 -1.83 -0.17 0.00 0.31 0.00 0.00 61.69 59.89 3l3d s THR 71 Cb -0.01 -2.84 -0.03 0.00 0.01 0.00 0.00 72.50 69.62 3l3d s THR 71 CO 0.09 -0.39 1.12 -2.16 -0.69 0.00 0.00 174.62 172.58 3l3d s PRO 72 N 1.13 3.14 0.44 4.92 0.04 -1.26 -4.76 135.00 138.65 3l3d s PRO 72 Ca 0.02 1.50 0.03 0.00 0.04 0.00 0.00 61.00 62.59 3l3d s PRO 72 Cb -0.21 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 3l3d s PRO 72 CO -0.04 -1.00 0.12 0.95 0.04 0.00 0.00 177.00 177.07 3l3d s THR 73 N -2.04 0.62 0.25 1.26 -4.23 -1.26 -0.03 115.64 110.20 3l3d s THR 73 Ca 0.70 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.25 3l3d s THR 73 Cb -0.22 -2.26 -0.03 0.00 1.34 0.00 0.00 72.50 71.34 3l3d s THR 73 CO 0.33 0.00 1.59 -0.08 -0.54 0.00 0.00 174.62 175.92 3l3d h GLU 74 N 1.66 0.25 0.14 3.99 4.22 -1.97 -3.36 114.58 119.51 3l3d h GLU 74 Ca -0.36 -0.16 -0.33 0.00 0.08 0.00 0.00 59.36 58.59 3l3d h GLU 74 Cb 1.28 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 3l3d h GLU 74 CO 0.58 0.74 -1.70 0.87 -2.18 0.00 0.00 179.01 177.33 3l3d h LYS 75 N 0.19 0.29 -6.49 1.92 1.57 -2.02 -3.47 116.57 108.57 3l3d h LYS 75 Ca -0.00 -0.50 -0.53 0.00 -1.87 0.00 0.00 60.65 57.75 3l3d h LYS 75 Cb 1.05 0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3l3d h LYS 75 CO 0.09 1.17 0.57 -0.51 -0.57 0.00 0.00 179.45 180.19 3l3d s ASP 76 N -7.05 7.06 -0.12 0.86 1.01 -1.26 -5.03 116.67 112.14 3l3d s ASP 76 Ca -0.13 2.04 -0.06 0.00 0.71 0.00 0.00 52.55 55.11 3l3d s ASP 76 Cb 0.06 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 3l3d s ASP 76 CO 0.84 -0.48 0.09 -1.61 0.21 0.00 0.00 175.17 174.22 3l3d s GLU 77 N 1.04 3.41 0.15 8.23 0.41 -1.26 -4.71 118.70 125.97 3l3d s GLU 77 Ca 0.59 -0.24 0.09 0.00 -0.41 0.00 0.00 54.97 55.00 3l3d s GLU 77 Cb -0.30 -3.09 -0.04 0.00 -1.78 0.00 0.00 34.13 28.92 3l3d s GLU 77 CO 0.29 0.67 -0.21 0.71 -0.49 0.00 0.00 175.26 176.23 3l3d s TYR 78 N -0.75 1.99 0.23 1.61 2.02 -1.26 0.15 117.35 121.34 3l3d s TYR 78 Ca 0.13 -0.42 -0.15 0.00 -0.37 0.00 0.00 57.07 56.26 3l3d s TYR 78 Cb -0.12 -1.02 0.01 0.00 -0.40 0.00 0.00 41.96 40.43 3l3d s TYR 78 CO 0.03 0.35 0.52 0.00 -1.57 0.00 0.00 175.55 174.88 3l3d s ALA 79 N -1.63 -0.61 -0.04 3.71 0.00 -0.95 -0.09 121.76 122.15 3l3d s ALA 79 Ca 0.15 -0.58 0.07 0.00 0.00 0.00 0.00 51.96 51.60 3l3d s ALA 79 Cb -0.08 0.95 -0.02 0.00 0.00 0.00 0.00 23.12 23.98 3l3d s ALA 79 CO 0.07 -0.86 -0.25 0.00 0.00 0.00 0.00 175.76 174.72 3l3d s ARG 81 N -0.39 3.00 -0.07 0.00 3.52 0.33 -0.87 118.95 124.48 3l3d s ARG 81 Ca 0.04 -0.86 0.03 0.00 -0.13 0.00 0.00 55.73 54.81 3l3d s ARG 81 Cb -0.11 -2.34 0.01 0.00 -1.56 0.00 0.00 34.95 30.95 3l3d s ARG 81 CO 0.01 0.09 -0.14 0.08 -0.81 0.00 0.00 175.30 174.53 3l3d s VAL 82 N 0.56 1.23 0.13 7.11 1.01 0.12 -0.71 120.40 129.85 3l3d s VAL 82 Ca -0.14 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 61.39 3l3d s VAL 82 Cb -0.17 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 3l3d s VAL 82 CO 0.04 0.38 -0.21 0.21 0.00 0.00 0.00 175.10 175.52 3l3d s ASN 83 N 0.57 2.66 0.16 3.32 3.84 0.30 -0.18 114.94 125.61 3l3d s ASN 83 Ca -0.14 -0.75 -0.22 0.00 0.21 0.00 0.00 52.86 51.96 3l3d s ASN 83 Cb -0.15 -0.15 0.06 0.00 -0.55 0.00 0.00 41.25 40.46 3l3d s ASN 83 CO 0.04 0.04 0.58 -2.28 -2.79 0.00 0.00 177.10 172.69 3l3d s HIS 84 N -1.43 -0.49 0.55 0.43 5.65 -1.26 -0.90 115.29 117.84 3l3d s HIS 84 Ca 0.10 0.25 0.22 0.00 0.25 0.00 0.00 55.06 55.88 3l3d s HIS 84 Cb -0.09 0.53 1.46 0.00 -1.18 0.00 0.00 32.58 33.31 3l3d s HIS 84 CO 0.05 -0.85 2.15 -0.24 -0.65 0.00 0.00 174.74 175.21 3l3d h VAL 85 N 2.04 0.80 0.00 0.89 3.04 -1.95 -0.89 116.25 120.19 3l3d h VAL 85 Ca -0.33 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 3l3d h VAL 85 Cb 1.30 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.54 3l3d h VAL 85 CO 0.39 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.30 3l3d n THR 86 N -4.27 0.70 -4.38 3.17 -2.24 -1.26 -4.76 114.28 101.23 3l3d n THR 86 Ca -0.01 0.15 -0.34 0.00 -2.27 0.00 0.00 64.05 61.58 3l3d n THR 86 Cb 0.17 -0.87 -0.11 0.00 -2.10 0.00 0.00 70.33 67.41 3l3d n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3l3d s LEU 87 N -3.35 3.36 0.15 3.22 1.43 -0.34 -5.01 118.68 118.14 3l3d s LEU 87 Ca 0.09 -0.05 -0.15 0.00 -1.03 0.00 0.00 54.13 52.99 3l3d s LEU 87 Cb 0.12 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.56 3l3d s LEU 87 CO 0.37 0.23 1.70 0.28 0.23 0.00 0.00 176.35 179.16 3l3d h SER 88 N 6.29 0.62 -4.51 2.29 0.02 -1.86 -3.43 113.55 112.97 3l3d h SER 88 Ca -0.37 -0.16 -0.39 0.00 -0.84 0.00 0.00 61.79 60.03 3l3d h SER 88 Cb 1.19 -0.16 -0.21 0.00 0.14 0.00 0.00 62.40 63.35 3l3d h SER 88 CO 0.61 0.61 -0.77 -1.10 -1.14 0.00 0.00 176.83 175.04 3l3d s GLN 89 N -5.58 0.78 0.39 3.45 -0.21 -1.26 -5.12 119.66 112.11 3l3d s GLN 89 Ca -0.13 -0.94 -0.27 0.00 0.02 0.00 0.00 55.36 54.04 3l3d s GLN 89 Cb 0.11 -0.74 -0.11 0.00 1.00 0.00 0.00 33.01 33.27 3l3d s GLN 89 CO 0.76 0.16 1.29 -2.30 -2.12 0.00 0.00 175.29 173.08 3l3d n PRO 90 N 1.26 2.05 -3.79 2.91 -0.02 -1.26 -4.92 135.00 131.24 3l3d n PRO 90 Ca -0.21 0.72 -0.36 0.00 -2.02 0.00 0.00 63.50 61.64 3l3d n PRO 90 Cb 0.54 -2.37 -0.07 0.00 -0.02 0.00 0.00 33.50 31.57 3l3d n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3l3d s LYS 91 N -2.07 3.94 -0.17 -0.52 2.20 0.75 -4.88 119.74 119.00 3l3d s LYS 91 Ca 0.58 -0.20 -0.02 0.00 -0.36 0.00 0.00 55.97 55.98 3l3d s LYS 91 Cb -0.53 -3.34 -0.01 0.00 -1.51 0.00 0.00 37.83 32.44 3l3d s LYS 91 CO 0.60 0.45 -0.09 0.42 -0.36 0.00 0.00 175.35 176.38 3l3d s ILE 92 N -0.09 3.22 -0.18 5.43 1.01 -1.26 -0.71 121.20 128.64 3l3d s ILE 92 Ca 0.10 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.18 3l3d s ILE 92 Cb -0.11 -2.41 0.01 0.00 0.01 0.00 0.00 42.46 39.96 3l3d s ILE 92 CO -0.00 0.48 -0.18 -0.69 0.00 0.00 0.00 174.94 174.55 3l3d s VAL 93 N 0.85 2.28 0.27 2.92 1.01 -0.05 -4.97 120.40 122.72 3l3d s VAL 93 Ca -0.03 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 60.84 3l3d s VAL 93 Cb -0.15 -1.96 -0.09 0.00 0.00 0.00 0.00 36.38 34.18 3l3d s VAL 93 CO 0.01 0.52 0.86 -0.54 0.00 0.00 0.00 175.10 175.95 3l3d s LYS 94 N 1.18 4.50 -0.00 2.72 1.02 -1.26 -0.58 119.74 127.32 3l3d s LYS 94 Ca 0.02 1.18 -0.30 0.00 0.02 0.00 0.00 55.97 56.89 3l3d s LYS 94 Cb -0.14 -2.90 -0.04 0.00 -0.52 0.00 0.00 37.83 34.23 3l3d s LYS 94 CO -0.09 0.36 1.21 -0.46 -0.92 0.00 0.00 175.35 175.45 3l3d s TRP 95 N -1.52 3.27 -0.17 3.18 -0.00 0.87 -4.87 118.94 119.70 3l3d s TRP 95 Ca 0.46 1.23 0.00 0.00 -0.00 0.00 0.00 56.10 57.79 3l3d s TRP 95 Cb -0.19 -3.43 0.04 0.00 -0.00 0.00 0.00 33.47 29.88 3l3d s TRP 95 CO 0.24 -1.36 -0.09 0.34 -0.00 0.00 0.00 176.95 176.08 3l3d s ASP 96 N 1.33 2.95 0.24 5.86 2.15 -1.26 -4.72 116.67 123.22 3l3d s ASP 96 Ca 0.58 -0.68 0.15 0.00 0.43 0.00 0.00 52.55 53.02 3l3d s ASP 96 Cb -0.27 -1.07 0.79 0.00 -0.30 0.00 0.00 42.92 42.07 3l3d s ASP 96 CO 0.25 -0.14 1.42 -2.11 -0.17 0.00 0.00 175.17 174.42 3l3d n ARG 97 N 4.79 0.09 -1.06 4.34 1.85 -1.26 -0.91 116.66 124.50 3l3d n ARG 97 Ca -0.14 0.58 -0.13 0.00 -1.00 0.00 0.00 57.85 57.16 3l3d n ARG 97 Cb 0.48 -1.87 0.24 0.00 -1.05 0.00 0.00 32.46 30.26 3l3d n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3l3d n ASP 98 N -2.01 4.01 0.00 2.89 8.00 -1.26 -4.89 116.55 123.29 3l3d n ASP 98 Ca -0.01 -3.46 0.00 0.00 0.71 0.00 0.00 54.79 52.03 3l3d n ASP 98 Cb 0.08 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.41 3l3d n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04