#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m17 s GLN 2 N 0.00 2.80 -0.09 6.28 -0.21 -1.26 -4.70 119.66 122.48 3m17 s GLN 2 Ca 0.00 -0.83 0.04 0.00 0.02 0.00 0.00 55.36 54.59 3m17 s GLN 2 Cb 0.00 -2.31 0.00 0.00 1.00 0.00 0.00 33.01 31.70 3m17 s GLN 2 CO 0.00 0.35 -0.21 1.03 -2.12 0.00 0.00 175.29 174.34 3m17 s ARG 3 N -0.05 2.72 0.14 2.91 0.52 0.23 -4.88 118.95 120.54 3m17 s ARG 3 Ca -0.06 -0.76 -0.28 0.00 -0.52 0.00 0.00 55.73 54.11 3m17 s ARG 3 Cb -0.14 -2.08 -0.07 0.00 0.52 0.00 0.00 34.95 33.17 3m17 s ARG 3 CO 0.05 0.13 0.89 -0.08 0.02 0.00 0.00 175.30 176.31 3m17 s THR 4 N 0.44 4.42 0.46 0.02 -1.32 -1.26 -1.44 115.64 116.96 3m17 s THR 4 Ca -0.17 1.94 -0.23 0.00 -1.21 0.00 0.00 61.69 62.02 3m17 s THR 4 Cb -0.17 -4.26 -0.07 0.00 -1.51 0.00 0.00 72.50 66.48 3m17 s THR 4 CO 0.07 0.40 1.19 -2.16 -2.21 0.00 0.00 174.62 171.92 3m17 s PRO 5 N -0.46 3.75 -0.08 7.08 0.04 -1.26 -4.53 135.00 139.54 3m17 s PRO 5 Ca 0.42 1.85 -0.17 0.00 0.04 0.00 0.00 61.00 63.15 3m17 s PRO 5 Cb -0.23 -2.45 -0.05 0.00 0.04 0.00 0.00 34.50 31.81 3m17 s PRO 5 CO 0.29 -0.58 0.43 0.21 0.04 0.00 0.00 177.00 177.39 3m17 s LYS 6 N -2.63 4.19 -0.17 4.56 2.20 0.97 -4.93 119.74 123.94 3m17 s LYS 6 Ca 0.63 0.40 0.01 0.00 -0.36 0.00 0.00 55.97 56.65 3m17 s LYS 6 Cb -0.31 -3.36 0.01 0.00 -1.51 0.00 0.00 37.83 32.67 3m17 s LYS 6 CO 0.37 0.35 -0.19 0.42 -0.36 0.00 0.00 175.35 175.95 3m17 s ILE 7 N 0.01 2.25 -0.02 5.43 1.01 -1.26 -1.64 121.20 126.97 3m17 s ILE 7 Ca 0.24 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 60.06 3m17 s ILE 7 Cb -0.15 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.36 3m17 s ILE 7 CO 0.11 0.53 -0.19 -1.10 0.00 0.00 0.00 174.94 174.29 3m17 s GLN 8 N 1.13 1.56 -0.10 2.79 -0.21 -0.00 -5.00 119.66 119.83 3m17 s GLN 8 Ca 0.01 -0.67 0.04 0.00 0.02 0.00 0.00 55.36 54.75 3m17 s GLN 8 Cb -0.14 -1.49 0.00 0.00 1.00 0.00 0.00 33.01 32.38 3m17 s GLN 8 CO -0.08 0.39 -0.22 0.08 -2.12 0.00 0.00 175.29 173.34 3m17 s VAL 9 N -0.40 1.94 0.13 1.09 1.01 -1.26 0.54 120.40 123.45 3m17 s VAL 9 Ca 0.06 -0.94 -0.22 0.00 0.00 0.00 0.00 61.98 60.87 3m17 s VAL 9 Cb -0.08 -1.69 0.06 0.00 0.00 0.00 0.00 36.38 34.68 3m17 s VAL 9 CO -0.00 0.53 0.57 -0.72 0.00 0.00 0.00 175.10 175.48 3m17 s TYR 10 N 0.44 -0.49 0.31 5.22 1.13 -0.45 -4.57 117.35 118.93 3m17 s TYR 10 Ca -0.17 0.33 -0.07 0.00 -1.41 0.00 0.00 57.07 55.74 3m17 s TYR 10 Cb -0.17 0.49 -0.06 0.00 -1.10 0.00 0.00 41.96 41.11 3m17 s TYR 10 CO 0.07 -0.80 0.61 -1.54 -2.51 0.00 0.00 175.55 171.39 3m17 s SER 11 N -2.59 6.51 0.01 -0.18 1.04 -1.26 0.68 113.70 117.90 3m17 s SER 11 Ca -0.00 0.87 -0.25 0.00 0.48 0.00 0.00 55.95 57.05 3m17 s SER 11 Cb -0.00 -2.21 -0.18 0.00 0.10 0.00 0.00 66.02 63.72 3m17 s SER 11 CO -0.10 -0.22 1.39 -0.09 0.98 0.00 0.00 173.24 175.19 3m17 h ARG 12 N 1.76 -0.07 -6.18 4.02 2.43 0.10 -3.45 114.38 113.01 3m17 h ARG 12 Ca -0.47 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.19 3m17 h ARG 12 Cb 1.18 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.70 3m17 h ARG 12 CO 0.66 0.26 -0.47 -1.01 -1.51 0.00 0.00 179.97 177.90 3m17 s HIS 13 N -4.83 2.87 0.20 2.20 3.76 -1.26 -5.02 115.29 113.20 3m17 s HIS 13 Ca -0.15 -0.31 -0.32 0.00 -0.15 0.00 0.00 55.06 54.12 3m17 s HIS 13 Cb 0.03 -1.75 -0.15 0.00 1.11 0.00 0.00 32.58 31.83 3m17 s HIS 13 CO 0.65 0.23 1.32 -2.30 -0.85 0.00 0.00 174.74 173.79 3m17 n PRO 14 N -1.32 1.62 -2.14 8.40 -0.02 -1.26 -4.86 135.00 135.43 3m17 n PRO 14 Ca -0.02 0.58 -0.43 0.00 -2.02 0.00 0.00 63.50 61.61 3m17 n PRO 14 Cb 0.60 -2.18 -0.02 0.00 -0.02 0.00 0.00 33.50 31.88 3m17 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3m17 s ALA 15 N -0.00 3.34 -0.13 3.55 0.00 -1.26 -4.99 121.76 122.27 3m17 s ALA 15 Ca 0.72 0.50 -0.00 0.00 0.00 0.00 0.00 51.96 53.18 3m17 s ALA 15 Cb -0.76 -3.82 0.02 0.00 0.00 0.00 0.00 23.12 18.57 3m17 s ALA 15 CO 0.50 -1.83 -0.10 -1.21 0.00 0.00 0.00 175.76 173.11 3m17 s GLU 16 N 4.51 1.86 0.17 0.00 2.02 -1.26 -5.10 118.70 120.90 3m17 s GLU 16 Ca 0.70 -0.40 -0.33 0.00 0.02 0.00 0.00 54.97 54.96 3m17 s GLU 16 Cb -0.25 -1.84 -0.16 0.00 0.10 0.00 0.00 34.13 31.98 3m17 s GLU 16 CO 0.28 -0.26 1.16 0.09 0.02 0.00 0.00 175.26 176.55 3m17 n ASN 17 N 4.86 1.36 0.00 -0.19 3.02 -1.26 -1.55 115.26 121.51 3m17 n ASN 17 Ca -0.14 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.55 3m17 n ASN 17 Cb 0.50 -1.22 0.00 0.00 -0.61 0.00 0.00 39.78 38.45 3m17 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m17 n GLY 18 N 2.00 1.75 3.38 7.41 0.00 -1.00 -5.01 105.19 113.72 3m17 n GLY 18 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3m17 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3m17 s LYS 19 N -0.18 3.46 0.45 1.61 2.20 -0.59 -5.01 119.74 121.68 3m17 s LYS 19 Ca 0.00 -0.61 -0.24 0.00 -0.36 0.00 0.00 55.97 54.76 3m17 s LYS 19 Cb 0.00 -2.89 -0.09 0.00 -1.51 0.00 0.00 37.83 33.34 3m17 s LYS 19 CO 0.00 0.03 1.19 0.45 -0.36 0.00 0.00 175.35 176.66 3m17 n SER 20 N 4.13 2.09 -2.42 1.43 2.88 -1.26 -4.20 113.62 116.27 3m17 n SER 20 Ca -0.18 1.04 -0.07 0.00 -1.33 0.00 0.00 58.87 58.34 3m17 n SER 20 Cb 0.52 -1.46 0.02 0.00 -0.75 0.00 0.00 64.21 62.54 3m17 n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3m17 n ASN 21 N 0.03 -1.82 -4.06 -3.46 2.85 0.25 -4.99 115.26 104.06 3m17 n ASN 21 Ca 0.08 -2.25 -0.25 0.00 -0.11 0.00 0.00 54.58 52.05 3m17 n ASN 21 Cb 0.41 3.03 -0.16 0.00 1.24 0.00 0.00 39.78 44.30 3m17 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3m17 s PHE 22 N -3.56 1.48 -0.31 1.20 0.08 -1.26 -1.75 117.98 113.85 3m17 s PHE 22 Ca 0.13 -0.49 -0.12 0.00 0.12 0.00 0.00 56.93 56.57 3m17 s PHE 22 Cb -0.04 -1.05 -0.03 0.00 -0.57 0.00 0.00 43.02 41.33 3m17 s PHE 22 CO 0.09 -0.22 0.21 -1.17 -0.10 0.00 0.00 175.22 174.04 3m17 s LEU 23 N 0.41 4.30 -0.07 -0.37 2.96 -0.35 0.87 118.68 126.42 3m17 s LEU 23 Ca -0.10 -0.27 -0.12 0.00 -0.22 0.00 0.00 54.13 53.42 3m17 s LEU 23 Cb -0.14 -2.12 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 3m17 s LEU 23 CO 0.03 -0.16 0.30 0.20 -1.32 0.00 0.00 176.35 175.40 3m17 s ASN 24 N 1.73 6.60 -0.27 3.68 0.01 0.21 -2.22 114.94 124.69 3m17 s ASN 24 Ca 0.06 0.72 -0.01 0.00 -0.71 0.00 0.00 52.86 52.91 3m17 s ASN 24 Cb -0.17 -2.18 0.04 0.00 0.41 0.00 0.00 41.25 39.35 3m17 s ASN 24 CO 0.10 0.31 -0.04 0.00 -1.51 0.00 0.00 177.10 175.96 3m17 s TYR 26 N 1.29 3.17 -0.15 0.00 5.04 0.19 -1.19 117.35 125.69 3m17 s TYR 26 Ca -0.02 -0.39 -0.02 0.00 -2.44 0.00 0.00 57.07 54.19 3m17 s TYR 26 Cb -0.18 -2.34 -0.02 0.00 0.35 0.00 0.00 41.96 39.77 3m17 s TYR 26 CO -0.03 -0.37 -0.07 0.08 -1.34 0.00 0.00 175.55 173.81 3m17 s VAL 27 N 1.65 3.59 0.06 3.14 1.01 -0.33 -0.82 120.40 128.70 3m17 s VAL 27 Ca 0.06 -0.46 -0.13 0.00 0.00 0.00 0.00 61.98 61.44 3m17 s VAL 27 Cb -0.16 -2.56 0.02 0.00 0.00 0.00 0.00 36.38 33.68 3m17 s VAL 27 CO 0.07 0.50 0.30 -0.94 0.00 0.00 0.00 175.10 175.03 3m17 s SER 28 N 0.38 -0.11 -0.65 3.32 1.04 -0.65 0.16 113.70 117.19 3m17 s SER 28 Ca -0.06 -0.25 -0.02 0.00 0.48 0.00 0.00 55.95 56.09 3m17 s SER 28 Cb -0.15 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.34 3m17 s SER 28 CO 0.04 -0.65 0.56 0.61 0.98 0.00 0.00 173.24 174.77 3m17 n GLY 29 N 0.43 0.09 3.27 7.32 0.00 0.11 -0.02 105.19 116.40 3m17 n GLY 29 Ca -0.18 -0.19 -0.19 0.00 0.00 0.00 0.00 46.02 45.46 3m17 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3m17 s PHE 30 N -3.18 1.52 -0.20 1.61 -0.71 -1.05 -4.27 117.98 111.69 3m17 s PHE 30 Ca 0.12 -0.53 -0.14 0.00 -1.04 0.00 0.00 56.93 55.35 3m17 s PHE 30 Cb -0.06 -0.79 0.06 0.00 -1.21 0.00 0.00 43.02 41.03 3m17 s PHE 30 CO 0.38 0.19 0.51 -1.58 -1.34 0.00 0.00 175.22 173.38 3m17 s HIS 31 N -2.07 -0.71 0.05 3.49 2.46 -0.52 -1.40 115.29 116.59 3m17 s HIS 31 Ca 0.10 1.53 -0.01 0.00 0.47 0.00 0.00 55.06 57.16 3m17 s HIS 31 Cb -0.05 0.34 0.01 0.00 -0.13 0.00 0.00 32.58 32.75 3m17 s HIS 31 CO 0.04 -0.37 0.06 -0.35 -2.47 0.00 0.00 174.74 171.65 3m17 n PRO 32 N 3.84 -0.39 0.12 2.88 -0.04 -1.26 -0.60 135.00 139.55 3m17 n PRO 32 Ca -0.20 -0.10 0.08 0.00 -0.04 0.00 0.00 63.50 63.25 3m17 n PRO 32 Cb 0.56 -0.07 0.03 0.00 -0.04 0.00 0.00 33.50 33.98 3m17 n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3m17 h SER 33 N -0.40 0.00 -2.50 3.54 4.64 -2.00 -3.45 113.55 113.38 3m17 h SER 33 Ca -0.02 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.76 3m17 h SER 33 Cb 0.06 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3m17 h SER 33 CO 0.01 0.18 1.15 -1.81 -0.87 0.00 0.00 176.83 175.49 3m17 s ASP 34 N -5.81 6.54 -0.20 4.97 -0.00 -1.26 -4.96 116.67 115.96 3m17 s ASP 34 Ca 0.02 2.50 -0.18 0.00 -0.00 0.00 0.00 52.55 54.88 3m17 s ASP 34 Cb 0.08 -2.54 0.05 0.00 -0.00 0.00 0.00 42.92 40.51 3m17 s ASP 34 CO 0.76 -0.99 0.52 -0.51 -0.00 0.00 0.00 175.17 174.95 3m17 s ILE 35 N 4.01 -0.00 -0.14 0.77 2.07 -1.26 -4.66 121.20 122.00 3m17 s ILE 35 Ca 0.81 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 60.07 3m17 s ILE 35 Cb -0.39 -0.73 0.00 0.00 0.13 0.00 0.00 42.46 41.47 3m17 s ILE 35 CO 0.36 0.00 -0.19 -1.61 -1.91 0.00 0.00 174.94 171.59 3m17 s GLU 36 N 0.31 3.13 -0.06 3.50 8.01 0.01 -4.99 118.70 128.63 3m17 s GLU 36 Ca -0.00 -0.80 0.02 0.00 0.01 0.00 0.00 54.97 54.20 3m17 s GLU 36 Cb -0.04 -2.52 0.01 0.00 -4.31 0.00 0.00 34.13 27.28 3m17 s GLU 36 CO 0.00 0.03 -0.12 0.08 0.01 0.00 0.00 175.26 175.27 3m17 s VAL 37 N 0.74 1.10 0.03 2.63 1.01 -1.26 0.26 120.40 124.90 3m17 s VAL 37 Ca -0.08 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.47 3m17 s VAL 37 Cb -0.16 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 3m17 s VAL 37 CO 0.01 0.34 -0.13 -1.81 0.00 0.00 0.00 175.10 173.51 3m17 s ASP 38 N 0.54 1.55 -0.13 3.32 1.01 -0.42 -5.00 116.67 117.53 3m17 s ASP 38 Ca -0.12 -0.39 -0.09 0.00 0.71 0.00 0.00 52.55 52.66 3m17 s ASP 38 Cb -0.14 -0.11 -0.04 0.00 1.01 0.00 0.00 42.92 43.63 3m17 s ASP 38 CO 0.03 0.05 0.18 -0.76 0.21 0.00 0.00 175.17 174.88 3m17 s LEU 39 N -0.91 4.34 -0.14 1.23 1.43 -1.26 -0.65 118.68 122.72 3m17 s LEU 39 Ca 0.02 0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 53.57 3m17 s LEU 39 Cb -0.07 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 43.99 3m17 s LEU 39 CO 0.01 0.32 -0.12 -0.76 0.23 0.00 0.00 176.35 176.02 3m17 s LEU 40 N -0.56 2.75 -0.39 1.79 1.43 0.59 -1.08 118.68 123.21 3m17 s LEU 40 Ca 0.14 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 52.84 3m17 s LEU 40 Cb -0.12 -1.63 0.07 0.00 0.03 0.00 0.00 46.19 44.54 3m17 s LEU 40 CO 0.03 0.15 0.20 -0.75 0.23 0.00 0.00 176.35 176.21 3m17 s LYS 41 N 0.46 2.54 -1.45 1.70 2.20 0.24 -2.00 119.74 123.44 3m17 s LYS 41 Ca -0.09 -1.41 -0.08 0.00 -0.36 0.00 0.00 55.97 54.03 3m17 s LYS 41 Cb -0.16 -3.65 0.05 0.00 -1.51 0.00 0.00 37.83 32.56 3m17 s LYS 41 CO 0.04 -0.87 0.87 0.09 -0.36 0.00 0.00 175.35 175.12 3m17 n ASN 42 N 4.85 -3.38 0.00 1.43 3.02 -0.48 -1.71 115.26 118.98 3m17 n ASN 42 Ca -0.10 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 3m17 n ASN 42 Cb 0.43 -3.92 0.00 0.00 -0.61 0.00 0.00 39.78 35.68 3m17 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m17 n GLY 43 N -1.67 1.69 3.79 7.41 0.00 -1.26 -5.04 105.19 110.11 3m17 n GLY 43 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 3m17 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m17 s GLU 44 N -0.32 3.21 0.27 1.61 8.01 -0.69 -5.00 118.70 125.79 3m17 s GLU 44 Ca 0.00 -0.29 -0.30 0.00 0.01 0.00 0.00 54.97 54.38 3m17 s GLU 44 Cb 0.00 -2.99 -0.12 0.00 -4.31 0.00 0.00 34.13 26.71 3m17 s GLU 44 CO 0.00 0.73 1.52 0.54 0.01 0.00 0.00 175.26 178.05 3m17 n ARG 45 N 1.88 2.43 -3.15 1.61 1.74 -1.26 0.81 116.66 120.72 3m17 n ARG 45 Ca -0.18 0.87 -0.39 0.00 -0.77 0.00 0.00 57.85 57.37 3m17 n ARG 45 Cb 0.54 -2.59 -0.06 0.00 -1.02 0.00 0.00 32.46 29.33 3m17 n ARG 45 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3m17 s ILE 46 N -0.06 5.07 -0.04 0.55 1.01 -0.24 -4.80 121.20 122.70 3m17 s ILE 46 Ca 0.65 1.19 -0.19 0.00 0.00 0.00 0.00 60.65 62.30 3m17 s ILE 46 Cb -0.56 -3.93 -0.13 0.00 0.01 0.00 0.00 42.46 37.85 3m17 s ILE 46 CO 0.49 0.21 0.83 1.05 0.00 0.00 0.00 174.94 177.51 3m17 h GLU 47 N 7.09 -0.36 -6.06 2.79 -0.00 -1.94 -3.40 114.58 112.70 3m17 h GLU 47 Ca -0.36 0.02 -0.61 0.00 -0.00 0.00 0.00 59.36 58.41 3m17 h GLU 47 Cb 1.17 0.08 -0.10 0.00 -0.00 0.00 0.00 28.75 29.90 3m17 h GLU 47 CO 0.76 -0.04 1.61 -1.59 -0.00 0.00 0.00 179.01 179.76 3m17 s LYS 48 N -3.54 3.65 -0.12 1.06 0.00 -1.26 -4.94 119.74 114.59 3m17 s LYS 48 Ca -0.11 -1.26 0.00 0.00 0.00 0.00 0.00 55.97 54.60 3m17 s LYS 48 Cb 0.01 -5.39 0.02 0.00 0.00 0.00 0.00 37.83 32.47 3m17 s LYS 48 CO 0.39 -2.23 -0.10 0.08 0.00 0.00 0.00 175.35 173.49 3m17 s VAL 49 N 4.90 1.23 0.47 1.79 1.01 -1.26 -4.56 120.40 123.98 3m17 s VAL 49 Ca 0.48 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 62.09 3m17 s VAL 49 Cb 0.01 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.21 3m17 s VAL 49 CO -0.07 0.40 0.65 -1.61 0.00 0.00 0.00 175.10 174.47 3m17 s GLU 50 N 1.57 2.71 -0.02 2.72 2.02 -0.39 -4.95 118.70 122.36 3m17 s GLU 50 Ca 0.04 -1.09 -0.13 0.00 0.02 0.00 0.00 54.97 53.81 3m17 s GLU 50 Cb -0.13 -2.66 0.02 0.00 0.10 0.00 0.00 34.13 31.46 3m17 s GLU 50 CO -0.08 -0.45 0.28 -3.38 0.02 0.00 0.00 175.26 171.65 3m17 s HIS 51 N -2.51 -0.16 0.81 1.61 -3.43 -1.26 -1.62 115.29 108.73 3m17 s HIS 51 Ca 0.56 0.26 -0.09 0.00 -0.80 0.00 0.00 55.06 54.99 3m17 s HIS 51 Cb -0.10 0.08 0.13 0.00 -1.43 0.00 0.00 32.58 31.26 3m17 s HIS 51 CO 0.35 -0.35 1.14 -1.54 -2.00 0.00 0.00 174.74 172.34 3m17 s SER 52 N -1.18 4.01 0.60 7.38 1.04 -0.88 -5.03 113.70 119.63 3m17 s SER 52 Ca -0.12 0.17 -0.19 0.00 0.48 0.00 0.00 55.95 56.28 3m17 s SER 52 Cb -0.05 -0.50 -0.04 0.00 0.10 0.00 0.00 66.02 65.53 3m17 s SER 52 CO 0.03 -2.13 1.18 0.47 0.98 0.00 0.00 173.24 173.78 3m17 n ASP 53 N -3.24 1.71 -4.65 7.02 9.92 -1.26 -4.61 116.55 121.44 3m17 n ASP 53 Ca 0.13 0.86 -0.43 0.00 -0.53 0.00 0.00 54.79 54.82 3m17 n ASP 53 Cb 0.60 -1.49 -0.02 0.00 -0.64 0.00 0.00 41.12 39.57 3m17 n ASP 53 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3m17 s LEU 54 N -3.14 4.07 0.33 0.64 0.20 -1.26 -4.64 118.68 114.86 3m17 s LEU 54 Ca 0.77 1.42 0.04 0.00 0.69 0.00 0.00 54.13 57.04 3m17 s LEU 54 Cb -0.41 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 41.78 3m17 s LEU 54 CO 0.45 -0.80 0.15 -0.55 -0.29 0.00 0.00 176.35 175.31 3m17 s SER 55 N 1.82 1.83 0.23 3.68 0.15 -0.85 -4.99 113.70 115.57 3m17 s SER 55 Ca 0.50 -1.58 0.03 0.00 0.70 0.00 0.00 55.95 55.60 3m17 s SER 55 Cb -0.17 0.38 -0.05 0.00 -1.71 0.00 0.00 66.02 64.47 3m17 s SER 55 CO 0.13 -0.88 0.02 0.72 1.20 0.00 0.00 173.24 174.43 3m17 s PHE 56 N -3.51 1.53 0.25 3.44 -0.12 -1.26 0.33 117.98 118.65 3m17 s PHE 56 Ca 0.34 -0.99 0.03 0.00 -0.05 0.00 0.00 56.93 56.26 3m17 s PHE 56 Cb 0.05 -0.90 0.03 0.00 -0.63 0.00 0.00 43.02 41.57 3m17 s PHE 56 CO 0.17 -0.12 0.28 0.43 -0.05 0.00 0.00 175.22 175.93 3m17 n SER 57 N -0.42 1.32 -0.31 1.98 7.64 -0.62 -4.94 113.62 118.27 3m17 n SER 57 Ca -0.04 -1.76 0.03 0.00 1.01 0.00 0.00 58.87 58.12 3m17 n SER 57 Cb 0.64 -0.11 0.23 0.00 -1.01 0.00 0.00 64.21 63.96 3m17 n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3m17 h LYS 58 N 0.00 1.03 0.00 1.43 6.56 -2.02 -0.64 116.57 122.92 3m17 h LYS 58 Ca -0.14 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.39 3m17 h LYS 58 Cb 0.56 -0.23 0.00 0.00 -0.57 0.00 0.00 32.23 31.99 3m17 h LYS 58 CO 0.20 0.68 0.00 -0.40 -2.06 0.00 0.00 179.45 177.87 3m17 n ASP 59 N -4.48 0.00 0.00 0.86 5.68 -1.26 -4.89 116.55 112.46 3m17 n ASP 59 Ca 0.13 -1.56 0.00 0.00 -0.50 0.00 0.00 54.79 52.87 3m17 n ASP 59 Cb 0.18 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 3m17 n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3m17 n TRP 60 N -0.71 0.00 -2.56 2.11 7.02 -0.25 -5.02 117.44 118.03 3m17 n TRP 60 Ca 0.10 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.19 3m17 n TRP 60 Cb 0.05 -0.06 -0.05 0.00 -2.42 0.00 0.00 31.31 28.83 3m17 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3m17 s SER 61 N -3.05 7.19 0.43 -0.99 1.04 -1.26 -4.65 113.70 112.41 3m17 s SER 61 Ca 0.00 2.13 -0.18 0.00 0.48 0.00 0.00 55.95 58.37 3m17 s SER 61 Cb 0.00 -2.61 -0.10 0.00 0.10 0.00 0.00 66.02 63.41 3m17 s SER 61 CO 0.00 -0.18 0.92 -0.36 0.98 0.00 0.00 173.24 174.59 3m17 s PHE 62 N -1.33 3.36 0.07 5.02 0.08 -0.49 -1.58 117.98 123.10 3m17 s PHE 62 Ca 0.48 1.48 0.01 0.00 0.12 0.00 0.00 56.93 59.03 3m17 s PHE 62 Cb -0.27 -2.76 -0.03 0.00 -0.57 0.00 0.00 43.02 39.38 3m17 s PHE 62 CO 0.35 -0.14 -0.06 1.52 -0.10 0.00 0.00 175.22 176.78 3m17 s TYR 63 N -2.27 0.72 -0.19 0.36 -0.85 0.15 0.09 117.35 115.37 3m17 s TYR 63 Ca 0.59 -0.75 -0.16 0.00 -0.52 0.00 0.00 57.07 56.24 3m17 s TYR 63 Cb -0.09 -0.44 0.05 0.00 0.38 0.00 0.00 41.96 41.86 3m17 s TYR 63 CO 0.19 -0.15 0.49 -1.17 -1.52 0.00 0.00 175.55 173.39 3m17 s LEU 64 N -2.38 0.02 -0.17 -3.49 0.20 0.12 -2.00 118.68 110.98 3m17 s LEU 64 Ca 0.01 1.01 -0.03 0.00 0.69 0.00 0.00 54.13 55.81 3m17 s LEU 64 Cb -0.01 1.67 -0.02 0.00 -0.43 0.00 0.00 46.19 47.40 3m17 s LEU 64 CO -0.03 -0.18 -0.07 -0.22 -0.29 0.00 0.00 176.35 175.56 3m17 s LEU 65 N 0.54 2.95 -0.04 -0.68 2.96 -1.26 -1.18 118.68 121.96 3m17 s LEU 65 Ca -0.02 -0.29 -0.00 0.00 -0.22 0.00 0.00 54.13 53.60 3m17 s LEU 65 Cb -0.04 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 3m17 s LEU 65 CO -0.03 0.10 -0.00 -0.31 -1.32 0.00 0.00 176.35 174.79 3m17 s TYR 66 N 0.78 3.11 -0.00 5.38 1.51 -0.33 -2.08 117.35 125.71 3m17 s TYR 66 Ca -0.03 0.13 -0.15 0.00 -1.01 0.00 0.00 57.07 56.01 3m17 s TYR 66 Cb -0.15 -1.73 0.02 0.00 -0.11 0.00 0.00 41.96 40.00 3m17 s TYR 66 CO 0.02 0.46 0.32 1.52 -1.11 0.00 0.00 175.55 176.75 3m17 s TYR 67 N -0.98 -0.18 -0.02 2.71 1.13 -0.64 0.12 117.35 119.48 3m17 s TYR 67 Ca 0.16 0.22 -0.05 0.00 -1.41 0.00 0.00 57.07 55.99 3m17 s TYR 67 Cb -0.11 0.10 0.01 0.00 -1.10 0.00 0.00 41.96 40.86 3m17 s TYR 67 CO 0.06 -0.42 0.13 -0.08 -2.51 0.00 0.00 175.55 172.73 3m17 s THR 68 N -1.57 0.04 0.04 -3.49 -1.32 -0.94 -1.26 115.64 107.14 3m17 s THR 68 Ca -0.12 -0.36 -0.30 0.00 -1.21 0.00 0.00 61.69 59.69 3m17 s THR 68 Cb -0.04 -0.30 -0.05 0.00 -1.51 0.00 0.00 72.50 70.60 3m17 s THR 68 CO 0.03 -0.20 1.16 -0.70 -2.21 0.00 0.00 174.62 172.70 3m17 s GLU 69 N -0.66 4.44 0.12 7.08 2.12 -1.26 -1.21 118.70 129.33 3m17 s GLU 69 Ca -0.07 1.70 -0.14 0.00 0.36 0.00 0.00 54.97 56.82 3m17 s GLU 69 Cb -0.04 -3.39 0.02 0.00 0.26 0.00 0.00 34.13 30.97 3m17 s GLU 69 CO 0.01 -0.24 0.34 -0.59 -0.54 0.00 0.00 175.26 174.23 3m17 s PHE 70 N 1.20 -0.07 -0.31 5.30 -0.71 -0.72 -4.95 117.98 117.72 3m17 s PHE 70 Ca 0.57 -0.29 0.03 0.00 -1.04 0.00 0.00 56.93 56.20 3m17 s PHE 70 Cb -0.27 0.16 0.08 0.00 -1.21 0.00 0.00 43.02 41.77 3m17 s PHE 70 CO 0.28 -0.66 -0.00 0.99 -1.34 0.00 0.00 175.22 174.48 3m17 s THR 71 N -3.83 2.39 0.58 -4.49 2.01 -1.26 -0.59 115.64 110.45 3m17 s THR 71 Ca 0.04 -1.96 -0.20 0.00 0.31 0.00 0.00 61.69 59.88 3m17 s THR 71 Cb 0.03 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 3m17 s THR 71 CO -0.11 -0.34 1.28 -2.16 -0.69 0.00 0.00 174.62 172.59 3m17 s PRO 72 N 1.03 2.99 0.29 4.92 0.04 -1.26 -4.82 135.00 138.19 3m17 s PRO 72 Ca 0.02 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.10 3m17 s PRO 72 Cb -0.20 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.22 3m17 s PRO 72 CO -0.06 -1.24 0.06 0.95 0.04 0.00 0.00 177.00 176.75 3m17 s THR 73 N -1.44 0.93 0.32 1.26 -4.23 -1.26 -2.38 115.64 108.84 3m17 s THR 73 Ca 0.76 -2.01 0.11 0.00 -1.18 0.00 0.00 61.69 59.37 3m17 s THR 73 Cb -0.35 -2.67 0.03 0.00 1.34 0.00 0.00 72.50 70.85 3m17 s THR 73 CO 0.40 -0.05 1.71 -0.08 -0.54 0.00 0.00 174.62 176.06 3m17 h GLU 74 N 2.27 0.03 0.00 3.99 4.57 -1.99 -3.30 114.58 120.15 3m17 h GLU 74 Ca -0.39 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.77 3m17 h GLU 74 Cb 1.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 3m17 h GLU 74 CO 0.66 0.52 -1.51 1.63 -1.18 0.00 0.00 179.01 179.12 3m17 n LYS 75 N -3.96 0.74 -2.45 1.92 4.01 -1.26 -4.95 118.16 112.21 3m17 n LYS 75 Ca -0.02 -0.11 -0.42 0.00 -0.51 0.00 0.00 58.31 57.25 3m17 n LYS 75 Cb 0.51 -1.41 -0.03 0.00 -0.51 0.00 0.00 35.03 33.60 3m17 n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3m17 s ASP 76 N -3.64 7.04 -0.07 4.39 -0.00 -1.24 -5.03 116.67 118.13 3m17 s ASP 76 Ca -0.02 1.84 -0.07 0.00 -0.00 0.00 0.00 52.55 54.30 3m17 s ASP 76 Cb 0.12 -2.56 -0.04 0.00 -0.00 0.00 0.00 42.92 40.44 3m17 s ASP 76 CO 0.76 -0.58 0.20 -1.83 -0.00 0.00 0.00 175.17 173.72 3m17 s GLU 77 N 2.15 3.52 0.06 8.23 1.03 -1.26 -4.78 118.70 127.65 3m17 s GLU 77 Ca 0.56 -0.08 0.05 0.00 0.03 0.00 0.00 54.97 55.53 3m17 s GLU 77 Cb -0.25 -3.16 -0.03 0.00 -0.80 0.00 0.00 34.13 29.89 3m17 s GLU 77 CO 0.23 0.73 -0.14 0.71 -1.33 0.00 0.00 175.26 175.46 3m17 s TYR 78 N -1.13 1.21 0.15 4.83 2.02 -1.26 -1.38 117.35 121.79 3m17 s TYR 78 Ca 0.20 -0.42 -0.15 0.00 -0.37 0.00 0.00 57.07 56.33 3m17 s TYR 78 Cb -0.13 -0.69 0.02 0.00 -0.40 0.00 0.00 41.96 40.76 3m17 s TYR 78 CO 0.09 0.05 0.40 0.00 -1.57 0.00 0.00 175.55 174.52 3m17 s ALA 79 N -1.12 -0.72 -0.10 3.71 0.00 -0.85 -0.91 121.76 121.76 3m17 s ALA 79 Ca -0.01 -0.28 0.03 0.00 0.00 0.00 0.00 51.96 51.70 3m17 s ALA 79 Cb -0.09 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.76 3m17 s ALA 79 CO 0.02 -0.67 -0.19 0.00 0.00 0.00 0.00 175.76 174.91 3m17 s ARG 81 N 0.24 3.02 -0.13 0.00 3.52 0.18 -0.83 118.95 124.96 3m17 s ARG 81 Ca -0.13 -0.86 0.03 0.00 -0.13 0.00 0.00 55.73 54.64 3m17 s ARG 81 Cb -0.16 -2.97 0.01 0.00 -1.56 0.00 0.00 34.95 30.26 3m17 s ARG 81 CO 0.07 -0.33 -0.21 0.08 -0.81 0.00 0.00 175.30 174.10 3m17 s VAL 82 N 1.38 1.96 -0.16 7.11 1.01 -0.13 -1.30 120.40 130.27 3m17 s VAL 82 Ca 0.02 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 3m17 s VAL 82 Cb -0.16 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 3m17 s VAL 82 CO -0.05 0.53 -0.06 0.20 0.00 0.00 0.00 175.10 175.73 3m17 s ASN 83 N 0.74 4.56 0.07 3.32 0.01 0.14 -1.69 114.94 122.08 3m17 s ASN 83 Ca -0.10 -0.21 -0.21 0.00 -0.71 0.00 0.00 52.86 51.63 3m17 s ASN 83 Cb -0.16 -1.74 0.05 0.00 0.41 0.00 0.00 41.25 39.81 3m17 s ASN 83 CO 0.01 0.13 0.49 -2.28 -1.51 0.00 0.00 177.10 173.94 3m17 s HIS 84 N 0.56 -0.37 0.32 2.20 2.46 -1.26 -0.80 115.29 118.40 3m17 s HIS 84 Ca -0.04 0.31 0.30 0.00 0.47 0.00 0.00 55.06 56.10 3m17 s HIS 84 Cb -0.15 0.33 1.45 0.00 -0.13 0.00 0.00 32.58 34.09 3m17 s HIS 84 CO 0.03 -0.67 2.04 -0.39 -2.47 0.00 0.00 174.74 173.29 3m17 h VAL 85 N 2.65 0.37 0.00 0.89 -1.51 -1.95 -1.24 116.25 115.47 3m17 h VAL 85 Ca -0.32 -0.58 0.00 0.00 -1.23 0.00 0.00 66.70 64.57 3m17 h VAL 85 Cb 1.23 1.42 0.00 0.00 -2.13 0.00 0.00 31.29 31.81 3m17 h VAL 85 CO 0.42 0.10 0.00 0.35 -1.23 0.00 0.00 177.57 177.21 3m17 n THR 86 N -3.40 0.44 -3.87 7.19 -2.24 -1.26 -4.55 114.28 106.58 3m17 n THR 86 Ca -0.01 0.02 -0.35 0.00 -2.27 0.00 0.00 64.05 61.44 3m17 n THR 86 Cb 0.27 -0.70 -0.13 0.00 -2.10 0.00 0.00 70.33 67.67 3m17 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3m17 s LEU 87 N -3.50 4.80 0.57 3.22 1.43 -0.47 -4.97 118.68 119.76 3m17 s LEU 87 Ca 0.11 -1.88 0.27 0.00 -1.03 0.00 0.00 54.13 51.59 3m17 s LEU 87 Cb 0.14 -1.75 1.68 0.00 0.03 0.00 0.00 46.19 46.29 3m17 s LEU 87 CO 0.47 -0.43 2.21 0.28 0.23 0.00 0.00 176.35 179.11 3m17 h SER 88 N 7.93 0.00 -4.63 2.29 0.02 -1.80 -3.40 113.55 113.95 3m17 h SER 88 Ca -0.13 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.49 3m17 h SER 88 Cb 1.04 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.37 3m17 h SER 88 CO 0.61 0.00 -0.75 0.00 -1.14 0.00 0.00 176.83 175.55 3m17 s GLN 89 N -4.74 0.65 0.64 3.45 -2.07 -1.26 -5.13 119.66 111.22 3m17 s GLN 89 Ca -0.05 -0.84 -0.18 0.00 -1.82 0.00 0.00 55.36 52.48 3m17 s GLN 89 Cb 0.16 -0.53 -0.02 0.00 -1.09 0.00 0.00 33.01 31.53 3m17 s GLN 89 CO 0.58 0.11 1.17 -0.35 -1.32 0.00 0.00 175.29 175.48 3m17 n PRO 90 N 1.40 1.00 -3.75 9.60 -0.04 -1.26 -4.97 135.00 136.98 3m17 n PRO 90 Ca -0.22 0.39 -0.36 0.00 -0.04 0.00 0.00 63.50 63.27 3m17 n PRO 90 Cb 0.54 -2.40 -0.10 0.00 -0.04 0.00 0.00 33.50 31.50 3m17 n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3m17 s LYS 91 N -3.19 3.98 -0.21 0.54 2.47 -0.68 -4.90 119.74 117.74 3m17 s LYS 91 Ca 0.80 -0.32 -0.04 0.00 -1.56 0.00 0.00 55.97 54.86 3m17 s LYS 91 Cb -0.39 -3.45 -0.01 0.00 -1.46 0.00 0.00 37.83 32.52 3m17 s LYS 91 CO 0.43 0.05 -0.04 0.42 0.16 0.00 0.00 175.35 176.36 3m17 s ILE 92 N 1.05 3.44 -0.19 5.43 1.01 -1.26 -0.95 121.20 129.73 3m17 s ILE 92 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.24 3m17 s ILE 92 Cb -0.14 -2.55 0.02 0.00 0.01 0.00 0.00 42.46 39.79 3m17 s ILE 92 CO 0.04 0.43 -0.17 -0.69 0.00 0.00 0.00 174.94 174.55 3m17 s VAL 93 N 1.30 2.31 0.20 2.92 1.01 -0.01 -4.95 120.40 123.18 3m17 s VAL 93 Ca 0.04 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 3m17 s VAL 93 Cb -0.14 -2.00 -0.08 0.00 0.00 0.00 0.00 36.38 34.16 3m17 s VAL 93 CO -0.02 0.51 1.06 -0.54 0.00 0.00 0.00 175.10 176.11 3m17 s LYS 94 N 1.32 4.65 -0.15 2.72 3.01 -1.26 -1.16 119.74 128.87 3m17 s LYS 94 Ca 0.05 1.67 -0.29 0.00 -1.01 0.00 0.00 55.97 56.39 3m17 s LYS 94 Cb -0.13 -3.27 -0.03 0.00 -1.01 0.00 0.00 37.83 33.38 3m17 s LYS 94 CO -0.11 0.18 1.53 -0.46 0.51 0.00 0.00 175.35 177.00 3m17 s TRP 95 N -0.54 2.27 -0.40 3.18 -0.00 -0.09 -4.90 118.94 118.46 3m17 s TRP 95 Ca 0.47 0.55 -0.23 0.00 -0.00 0.00 0.00 56.10 56.89 3m17 s TRP 95 Cb -0.29 -3.84 0.02 0.00 -0.00 0.00 0.00 33.47 29.36 3m17 s TRP 95 CO 0.35 -2.89 0.78 0.34 -0.00 0.00 0.00 176.95 175.53 3m17 s ASP 96 N 3.32 6.49 0.49 5.86 -1.08 -1.26 -4.79 116.67 125.70 3m17 s ASP 96 Ca 0.67 0.16 0.33 0.00 -0.52 0.00 0.00 52.55 53.19 3m17 s ASP 96 Cb -0.27 -2.39 1.57 0.00 -1.46 0.00 0.00 42.92 40.38 3m17 s ASP 96 CO 0.25 -0.80 1.99 0.08 0.52 0.00 0.00 175.17 177.22 3m17 h ARG 97 N 8.68 0.00 -0.43 4.34 0.11 -1.94 0.08 114.38 125.22 3m17 h ARG 97 Ca -0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.83 3m17 h ARG 97 Cb 1.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.17 3m17 h ARG 97 CO 0.93 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 180.60 3m17 n ASP 98 N -2.78 4.79 -0.61 0.08 3.85 -1.26 -4.63 116.55 115.99 3m17 n ASP 98 Ca -0.00 -2.92 0.13 0.00 -0.71 0.00 0.00 54.79 51.29 3m17 n ASP 98 Cb 0.18 -0.61 0.41 0.00 -1.35 0.00 0.00 41.12 39.75 3m17 n ASP 98 CO 0.00 0.00 0.00 0.80 -1.01 0.00 0.00 177.20 176.99