#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h26 s GLN 2 N 0.00 4.18 -0.00 9.51 -0.21 -1.26 -4.76 119.66 127.12 2h26 s GLN 2 Ca 0.00 0.99 -0.01 0.00 0.02 0.00 0.00 55.36 56.37 2h26 s GLN 2 Cb 0.00 -2.31 0.00 0.00 1.00 0.00 0.00 33.01 31.70 2h26 s GLN 2 CO 0.00 0.05 0.02 1.03 -2.12 0.00 0.00 175.29 174.27 2h26 s ARG 3 N -3.02 0.05 0.19 2.91 0.52 0.38 -4.90 118.95 115.07 2h26 s ARG 3 Ca 0.58 -0.03 -0.19 0.00 -0.52 0.00 0.00 55.73 55.58 2h26 s ARG 3 Cb -0.10 0.02 -0.08 0.00 0.52 0.00 0.00 34.95 35.31 2h26 s ARG 3 CO 0.15 -0.01 0.67 -0.08 0.02 0.00 0.00 175.30 176.05 2h26 s THR 4 N -0.13 4.65 0.36 0.02 -1.32 -1.26 -1.55 115.64 116.41 2h26 s THR 4 Ca -0.01 1.18 -0.27 0.00 -1.21 0.00 0.00 61.69 61.38 2h26 s THR 4 Cb -0.01 -3.84 -0.09 0.00 -1.51 0.00 0.00 72.50 67.05 2h26 s THR 4 CO -0.00 0.26 1.16 -2.16 -2.21 0.00 0.00 174.62 171.67 2h26 s PRO 5 N -1.86 4.25 0.10 7.08 0.04 -1.26 -4.34 135.00 139.02 2h26 s PRO 5 Ca 0.40 1.85 -0.14 0.00 0.04 0.00 0.00 61.00 63.14 2h26 s PRO 5 Cb -0.17 -2.84 -0.07 0.00 0.04 0.00 0.00 34.50 31.47 2h26 s PRO 5 CO 0.21 -0.15 0.51 0.21 0.04 0.00 0.00 177.00 177.81 2h26 s LYS 6 N -2.05 3.96 -0.08 4.56 2.20 0.30 -4.91 119.74 123.72 2h26 s LYS 6 Ca 0.53 0.46 -0.01 0.00 -0.36 0.00 0.00 55.97 56.59 2h26 s LYS 6 Cb -0.31 -3.03 0.03 0.00 -1.51 0.00 0.00 37.83 33.00 2h26 s LYS 6 CO 0.40 0.55 -0.02 0.42 -0.36 0.00 0.00 175.35 176.34 2h26 s ILE 7 N -1.35 0.54 -0.04 5.43 1.01 -1.26 -0.99 121.20 124.54 2h26 s ILE 7 Ca 0.34 0.02 0.03 0.00 0.00 0.00 0.00 60.65 61.04 2h26 s ILE 7 Cb -0.16 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.66 2h26 s ILE 7 CO 0.18 0.29 -0.12 -1.10 0.00 0.00 0.00 174.94 174.19 2h26 s GLN 8 N 1.90 1.39 -0.06 2.79 -0.21 -0.31 -4.97 119.66 120.18 2h26 s GLN 8 Ca 0.05 -0.42 0.05 0.00 0.02 0.00 0.00 55.36 55.06 2h26 s GLN 8 Cb -0.12 -1.22 -0.01 0.00 1.00 0.00 0.00 33.01 32.66 2h26 s GLN 8 CO -0.06 0.13 -0.23 0.08 -2.12 0.00 0.00 175.29 173.09 2h26 s VAL 9 N 0.28 1.91 0.10 1.09 1.01 -1.26 -0.21 120.40 123.32 2h26 s VAL 9 Ca -0.06 -0.98 -0.25 0.00 0.00 0.00 0.00 61.98 60.69 2h26 s VAL 9 Cb -0.11 -1.63 0.07 0.00 0.00 0.00 0.00 36.38 34.71 2h26 s VAL 9 CO 0.02 0.53 0.65 -0.72 0.00 0.00 0.00 175.10 175.58 2h26 s TYR 10 N -0.01 -0.54 0.08 5.22 1.13 -0.64 -4.77 117.35 117.82 2h26 s TYR 10 Ca -0.07 0.47 0.01 0.00 -1.41 0.00 0.00 57.07 56.07 2h26 s TYR 10 Cb -0.14 0.53 -0.04 0.00 -1.10 0.00 0.00 41.96 41.21 2h26 s TYR 10 CO 0.04 -0.77 0.22 -1.54 -2.51 0.00 0.00 175.55 171.00 2h26 s SER 11 N -2.41 6.32 0.04 -0.18 1.04 -1.26 -0.36 113.70 116.89 2h26 s SER 11 Ca -0.01 0.23 -0.23 0.00 0.48 0.00 0.00 55.95 56.42 2h26 s SER 11 Cb -0.01 -1.92 -0.15 0.00 0.10 0.00 0.00 66.02 64.04 2h26 s SER 11 CO -0.08 0.14 1.46 -0.09 0.98 0.00 0.00 173.24 175.65 2h26 h ARG 12 N 2.84 0.15 -6.22 4.02 2.43 -1.37 -3.45 114.38 112.78 2h26 h ARG 12 Ca -0.46 -0.05 -0.54 0.00 -0.81 0.00 0.00 59.98 58.12 2h26 h ARG 12 Cb 1.17 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.63 2h26 h ARG 12 CO 0.74 0.42 -0.59 -1.01 -1.51 0.00 0.00 179.97 178.02 2h26 s HIS 13 N -4.93 2.93 0.42 2.20 3.76 -1.26 -5.04 115.29 113.36 2h26 s HIS 13 Ca -0.14 -0.14 -0.26 0.00 -0.15 0.00 0.00 55.06 54.36 2h26 s HIS 13 Cb 0.05 -1.34 -0.10 0.00 1.11 0.00 0.00 32.58 32.30 2h26 s HIS 13 CO 0.70 0.56 1.43 -0.35 -0.85 0.00 0.00 174.74 176.22 2h26 n PRO 14 N -0.84 2.37 -2.30 8.40 -0.04 -1.26 -4.88 135.00 136.46 2h26 n PRO 14 Ca -0.08 0.84 -0.42 0.00 -0.04 0.00 0.00 63.50 63.80 2h26 n PRO 14 Cb 0.58 -2.60 -0.03 0.00 -0.04 0.00 0.00 33.50 31.40 2h26 n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2h26 s ALA 15 N -1.16 3.53 -0.18 0.55 0.00 -1.26 -5.01 121.76 118.23 2h26 s ALA 15 Ca 0.58 0.85 -0.01 0.00 0.00 0.00 0.00 51.96 53.38 2h26 s ALA 15 Cb -0.47 -3.55 0.05 0.00 0.00 0.00 0.00 23.12 19.15 2h26 s ALA 15 CO 0.60 -0.77 -0.01 -2.00 0.00 0.00 0.00 175.76 173.59 2h26 s GLU 16 N 1.98 1.02 0.15 0.00 2.12 -1.26 -5.11 118.70 117.60 2h26 s GLU 16 Ca 0.61 -0.47 -0.34 0.00 0.36 0.00 0.00 54.97 55.13 2h26 s GLU 16 Cb -0.30 -2.02 -0.15 0.00 0.26 0.00 0.00 34.13 31.91 2h26 s GLU 16 CO 0.26 -0.53 1.35 0.09 -0.54 0.00 0.00 175.26 175.89 2h26 n ASN 17 N 4.95 2.02 0.00 -1.70 3.02 -1.26 -0.86 115.26 121.43 2h26 n ASN 17 Ca -0.10 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.57 2h26 n ASN 17 Cb 0.47 -1.28 0.00 0.00 -0.61 0.00 0.00 39.78 38.36 2h26 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2h26 n GLY 18 N 2.49 2.07 3.61 7.41 0.00 0.69 -4.97 105.19 116.50 2h26 n GLY 18 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 2h26 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h26 s LYS 19 N -0.22 3.83 0.38 1.61 3.01 -0.04 -4.99 119.74 123.32 2h26 s LYS 19 Ca 0.00 -0.38 -0.26 0.00 -1.01 0.00 0.00 55.97 54.31 2h26 s LYS 19 Cb 0.00 -3.11 -0.11 0.00 -1.01 0.00 0.00 37.83 33.59 2h26 s LYS 19 CO 0.00 0.31 1.16 0.45 0.51 0.00 0.00 175.35 177.78 2h26 n SER 20 N 3.40 2.06 -1.73 2.83 2.88 -1.26 -4.23 113.62 117.57 2h26 n SER 20 Ca -0.17 1.13 -0.04 0.00 -1.33 0.00 0.00 58.87 58.46 2h26 n SER 20 Cb 0.52 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 2h26 n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2h26 n ASN 21 N 0.62 -0.72 -4.05 -3.46 2.85 0.45 -4.99 115.26 105.95 2h26 n ASN 21 Ca 0.07 -1.67 -0.24 0.00 -0.11 0.00 0.00 54.58 52.63 2h26 n ASN 21 Cb 0.37 1.25 -0.16 0.00 1.24 0.00 0.00 39.78 42.48 2h26 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2h26 s PHE 22 N -5.38 1.43 -0.21 1.20 0.08 -1.26 -1.69 117.98 112.15 2h26 s PHE 22 Ca 0.08 -0.46 -0.09 0.00 0.12 0.00 0.00 56.93 56.59 2h26 s PHE 22 Cb -0.01 -1.02 -0.04 0.00 -0.57 0.00 0.00 43.02 41.38 2h26 s PHE 22 CO 0.06 -0.21 0.10 -1.17 -0.10 0.00 0.00 175.22 173.90 2h26 s LEU 23 N 0.38 3.93 -0.02 -0.37 2.96 -0.07 -0.83 118.68 124.66 2h26 s LEU 23 Ca -0.09 0.09 0.08 0.00 -0.22 0.00 0.00 54.13 53.99 2h26 s LEU 23 Cb -0.13 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 2h26 s LEU 23 CO 0.03 0.13 -0.25 0.20 -1.32 0.00 0.00 176.35 175.13 2h26 s ASN 24 N 0.65 2.99 -0.13 3.68 0.01 0.51 -1.58 114.94 121.07 2h26 s ASN 24 Ca 0.05 -0.46 -0.01 0.00 -0.71 0.00 0.00 52.86 51.73 2h26 s ASN 24 Cb -0.13 -0.33 0.03 0.00 0.41 0.00 0.00 41.25 41.24 2h26 s ASN 24 CO 0.01 0.31 -0.04 0.00 -1.51 0.00 0.00 177.10 175.88 2h26 s TYR 26 N 1.77 3.10 -0.15 0.00 5.04 0.71 -1.08 117.35 126.72 2h26 s TYR 26 Ca 0.03 -0.61 -0.02 0.00 -2.44 0.00 0.00 57.07 54.03 2h26 s TYR 26 Cb -0.14 -2.25 -0.02 0.00 0.35 0.00 0.00 41.96 39.91 2h26 s TYR 26 CO -0.07 -0.44 -0.09 0.08 -1.34 0.00 0.00 175.55 173.69 2h26 s VAL 27 N 1.58 3.34 0.19 3.14 1.01 -0.62 -1.16 120.40 127.88 2h26 s VAL 27 Ca 0.05 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 2h26 s VAL 27 Cb -0.16 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.78 2h26 s VAL 27 CO 0.03 0.50 0.42 -0.94 0.00 0.00 0.00 175.10 175.10 2h26 s SER 28 N 0.57 -0.10 -0.35 3.32 1.04 -0.16 -1.09 113.70 116.92 2h26 s SER 28 Ca -0.06 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.65 2h26 s SER 28 Cb -0.15 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2h26 s SER 28 CO 0.03 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.86 2h26 n GLY 29 N -0.30 0.64 3.91 7.32 0.00 -0.26 -0.54 105.19 115.95 2h26 n GLY 29 Ca -0.07 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.03 2h26 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2h26 s PHE 30 N -2.08 3.34 -0.28 1.61 -0.71 -1.18 -4.33 117.98 114.35 2h26 s PHE 30 Ca 0.00 -0.01 -0.20 0.00 -1.04 0.00 0.00 56.93 55.67 2h26 s PHE 30 Cb 0.00 -1.54 0.09 0.00 -1.21 0.00 0.00 43.02 40.36 2h26 s PHE 30 CO 0.00 0.49 0.78 -1.58 -1.34 0.00 0.00 175.22 173.56 2h26 s HIS 31 N -1.94 -0.83 0.47 3.49 2.46 -0.59 -1.02 115.29 117.32 2h26 s HIS 31 Ca 0.33 1.82 -0.08 0.00 0.47 0.00 0.00 55.06 57.61 2h26 s HIS 31 Cb -0.09 0.44 0.11 0.00 -0.13 0.00 0.00 32.58 32.90 2h26 s HIS 31 CO 0.27 -0.41 0.56 -0.35 -2.47 0.00 0.00 174.74 172.34 2h26 n PRO 32 N 3.38 -0.98 0.18 2.88 -0.04 -1.26 -0.47 135.00 138.69 2h26 n PRO 32 Ca -0.17 -0.87 0.07 0.00 -0.04 0.00 0.00 63.50 62.49 2h26 n PRO 32 Cb 0.57 -0.64 0.19 0.00 -0.04 0.00 0.00 33.50 33.58 2h26 n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2h26 h SER 33 N -1.07 0.00 -2.33 3.54 4.64 -1.98 -3.45 113.55 112.89 2h26 h SER 33 Ca -0.19 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.57 2h26 h SER 33 Cb 0.53 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.66 2h26 h SER 33 CO 0.13 0.32 1.09 -0.67 -0.87 0.00 0.00 176.83 176.83 2h26 n ASP 34 N -3.25 3.80 -3.52 4.97 2.03 -1.26 -4.94 116.55 114.37 2h26 n ASP 34 Ca 0.02 0.98 -0.15 0.00 0.52 0.00 0.00 54.79 56.16 2h26 n ASP 34 Cb 0.60 -1.49 -0.05 0.00 -0.72 0.00 0.00 41.12 39.46 2h26 n ASP 34 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2h26 s ILE 35 N 3.07 0.00 -0.10 5.18 2.07 -1.26 -4.58 121.20 125.57 2h26 s ILE 35 Ca 0.85 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 60.13 2h26 s ILE 35 Cb -0.55 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.05 2h26 s ILE 35 CO 0.41 0.00 -0.22 -0.70 -1.91 0.00 0.00 174.94 172.53 2h26 s GLU 36 N -1.50 2.85 -0.05 3.50 2.12 -0.51 -5.00 118.70 120.11 2h26 s GLU 36 Ca -0.07 -0.81 0.02 0.00 0.36 0.00 0.00 54.97 54.47 2h26 s GLU 36 Cb -0.00 -2.21 0.02 0.00 0.26 0.00 0.00 34.13 32.19 2h26 s GLU 36 CO 0.05 0.11 -0.08 0.08 -0.54 0.00 0.00 175.26 174.88 2h26 s VAL 37 N 0.51 0.81 0.06 3.70 1.01 -1.26 -0.67 120.40 124.55 2h26 s VAL 37 Ca -0.15 -0.30 0.06 0.00 0.00 0.00 0.00 61.98 61.58 2h26 s VAL 37 Cb -0.17 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 2h26 s VAL 37 CO 0.06 0.28 -0.17 -1.81 0.00 0.00 0.00 175.10 173.45 2h26 s ASP 38 N 0.67 2.01 -0.08 3.32 1.01 -0.25 -5.00 116.67 118.36 2h26 s ASP 38 Ca -0.11 -0.54 -0.08 0.00 0.71 0.00 0.00 52.55 52.53 2h26 s ASP 38 Cb -0.14 -0.13 -0.04 0.00 1.01 0.00 0.00 42.92 43.62 2h26 s ASP 38 CO 0.02 0.05 0.21 -0.76 0.21 0.00 0.00 175.17 174.90 2h26 s LEU 39 N -1.38 4.40 -0.06 1.23 1.43 -1.26 -0.73 118.68 122.32 2h26 s LEU 39 Ca 0.03 0.57 0.05 0.00 -1.03 0.00 0.00 54.13 53.75 2h26 s LEU 39 Cb -0.09 -2.26 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 2h26 s LEU 39 CO 0.02 0.37 -0.23 -0.76 0.23 0.00 0.00 176.35 175.98 2h26 s LEU 40 N -1.17 2.02 -0.23 1.79 1.43 -0.37 -0.13 118.68 122.03 2h26 s LEU 40 Ca 0.19 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 2h26 s LEU 40 Cb -0.13 -1.27 0.01 0.00 0.03 0.00 0.00 46.19 44.82 2h26 s LEU 40 CO 0.08 0.20 -0.05 -0.75 0.23 0.00 0.00 176.35 176.07 2h26 s LYS 41 N -0.01 3.16 -1.42 1.70 2.20 -0.20 -1.73 119.74 123.43 2h26 s LYS 41 Ca -0.06 -0.77 -0.07 0.00 -0.36 0.00 0.00 55.97 54.70 2h26 s LYS 41 Cb -0.14 -3.01 0.04 0.00 -1.51 0.00 0.00 37.83 33.21 2h26 s LYS 41 CO 0.04 -0.29 0.88 0.09 -0.36 0.00 0.00 175.35 175.72 2h26 n ASN 42 N 4.75 -3.33 0.00 1.43 3.02 0.13 -1.97 115.26 119.29 2h26 n ASN 42 Ca -0.17 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 2h26 n ASN 42 Cb 0.49 -4.09 0.00 0.00 -0.61 0.00 0.00 39.78 35.58 2h26 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2h26 n GLY 43 N -1.66 2.82 3.68 7.41 0.00 -1.26 -5.02 105.19 111.16 2h26 n GLY 43 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 2h26 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h26 s GLU 44 N -0.00 2.92 -0.03 1.61 8.01 -0.83 -5.02 118.70 125.37 2h26 s GLU 44 Ca 0.00 -0.47 -0.37 0.00 0.01 0.00 0.00 54.97 54.14 2h26 s GLU 44 Cb 0.00 -2.75 -0.15 0.00 -4.31 0.00 0.00 34.13 26.92 2h26 s GLU 44 CO 0.00 0.68 1.60 -2.13 0.01 0.00 0.00 175.26 175.42 2h26 n ARG 45 N 1.93 1.56 -2.79 1.61 0.63 -1.26 -1.04 116.66 117.29 2h26 n ARG 45 Ca -0.17 0.57 -0.41 0.00 -0.92 0.00 0.00 57.85 56.92 2h26 n ARG 45 Cb 0.53 -2.28 -0.05 0.00 0.45 0.00 0.00 32.46 31.11 2h26 n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2h26 s ILE 46 N 2.04 4.45 -0.02 5.15 1.01 0.82 -4.85 121.20 129.80 2h26 s ILE 46 Ca 0.88 1.98 -0.06 0.00 0.00 0.00 0.00 60.65 63.46 2h26 s ILE 46 Cb -0.88 -4.28 -0.29 0.00 0.01 0.00 0.00 42.46 37.03 2h26 s ILE 46 CO 0.51 0.37 0.77 -0.33 0.00 0.00 0.00 174.94 176.25 2h26 h GLU 47 N 5.26 0.30 -0.92 2.79 3.07 -1.93 -3.39 114.58 119.76 2h26 h GLU 47 Ca -0.44 -0.51 -0.16 0.00 -0.50 0.00 0.00 59.36 57.76 2h26 h GLU 47 Cb 1.21 0.19 -0.09 0.00 -0.84 0.00 0.00 28.75 29.21 2h26 h GLU 47 CO 0.71 1.17 0.20 1.63 -1.40 0.00 0.00 179.01 181.32 2h26 n LYS 48 N -3.49 2.15 -2.07 2.33 4.01 -1.26 -4.97 118.16 114.86 2h26 n LYS 48 Ca -0.20 -1.52 -0.41 0.00 -0.51 0.00 0.00 58.31 55.66 2h26 n LYS 48 Cb 1.06 -1.70 -0.02 0.00 -0.51 0.00 0.00 35.03 33.85 2h26 n LYS 48 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2h26 s VAL 49 N -1.73 2.79 0.19 -0.18 1.01 -1.26 -4.98 120.40 116.24 2h26 s VAL 49 Ca 0.28 0.67 0.06 0.00 0.00 0.00 0.00 61.98 62.98 2h26 s VAL 49 Cb 0.23 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 2h26 s VAL 49 CO 0.06 0.11 0.16 -1.61 0.00 0.00 0.00 175.10 173.82 2h26 s GLU 50 N -0.41 2.92 0.04 2.72 0.41 -0.52 -4.95 118.70 118.92 2h26 s GLU 50 Ca 0.58 -0.92 -0.12 0.00 -0.41 0.00 0.00 54.97 54.10 2h26 s GLU 50 Cb -0.40 -2.63 0.01 0.00 -1.78 0.00 0.00 34.13 29.33 2h26 s GLU 50 CO 0.43 0.46 0.27 -3.38 -0.49 0.00 0.00 175.26 172.54 2h26 s HIS 51 N -1.87 -0.05 0.71 1.61 -3.43 -1.26 -0.68 115.29 110.32 2h26 s HIS 51 Ca 0.32 -0.12 -0.11 0.00 -0.80 0.00 0.00 55.06 54.35 2h26 s HIS 51 Cb -0.09 0.05 0.02 0.00 -1.43 0.00 0.00 32.58 31.13 2h26 s HIS 51 CO 0.24 -0.48 1.07 -1.54 -2.00 0.00 0.00 174.74 172.04 2h26 s SER 52 N -2.07 5.29 0.69 7.38 1.04 -0.18 -4.98 113.70 120.86 2h26 s SER 52 Ca -0.05 1.36 -0.14 0.00 0.48 0.00 0.00 55.95 57.60 2h26 s SER 52 Cb -0.01 -2.21 0.01 0.00 0.10 0.00 0.00 66.02 63.91 2h26 s SER 52 CO -0.04 -1.47 1.11 -1.81 0.98 0.00 0.00 173.24 172.02 2h26 s ASP 53 N -4.04 4.94 0.31 7.02 1.01 -1.26 -4.71 116.67 119.94 2h26 s ASP 53 Ca 0.58 1.98 -0.29 0.00 0.71 0.00 0.00 52.55 55.52 2h26 s ASP 53 Cb -0.13 -2.55 -0.12 0.00 1.01 0.00 0.00 42.92 41.14 2h26 s ASP 53 CO 0.54 -1.74 1.46 -0.11 0.21 0.00 0.00 175.17 175.53 2h26 n LEU 54 N -2.67 4.00 0.00 1.23 7.94 -1.26 -4.91 117.00 121.34 2h26 n LEU 54 Ca 0.10 1.18 -0.20 0.00 -1.11 0.00 0.00 56.01 55.97 2h26 n LEU 54 Cb 0.52 -1.54 -0.08 0.00 0.53 0.00 0.00 43.42 42.85 2h26 n LEU 54 CO 0.49 -0.13 -0.11 -0.24 -1.11 0.00 0.00 177.39 176.30 2h26 n SER 55 N 1.48 -0.43 -3.62 1.96 2.88 -1.11 -5.03 113.62 109.75 2h26 n SER 55 Ca 0.07 -3.20 -0.12 0.00 -1.33 0.00 0.00 58.87 54.29 2h26 n SER 55 Cb 0.36 1.59 -0.05 0.00 -0.75 0.00 0.00 64.21 65.36 2h26 n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2h26 s PHE 56 N -3.32 -0.27 0.75 0.66 -0.71 -1.26 -1.59 117.98 112.23 2h26 s PHE 56 Ca 0.37 0.09 -0.03 0.00 -1.04 0.00 0.00 56.93 56.32 2h26 s PHE 56 Cb 0.02 0.28 0.13 0.00 -1.21 0.00 0.00 43.02 42.24 2h26 s PHE 56 CO 0.26 -0.67 1.03 -1.12 -1.34 0.00 0.00 175.22 173.39 2h26 s SER 57 N -2.47 4.22 0.52 1.98 0.01 0.13 -4.92 113.70 113.18 2h26 s SER 57 Ca -0.01 -0.26 0.25 0.00 1.31 0.00 0.00 55.95 57.25 2h26 s SER 57 Cb 0.01 -0.10 1.37 0.00 0.21 0.00 0.00 66.02 67.51 2h26 s SER 57 CO -0.08 -1.95 1.97 0.50 0.41 0.00 0.00 173.24 174.09 2h26 h LYS 58 N -0.66 0.05 -0.33 12.44 1.63 -2.03 0.27 116.57 127.95 2h26 h LYS 58 Ca -0.38 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.42 2h26 h LYS 58 Cb 1.26 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 2h26 h LYS 58 CO 0.41 0.03 0.00 -0.40 -3.45 0.00 0.00 179.45 176.04 2h26 n ASP 59 N -4.37 1.73 0.00 4.20 5.75 -1.26 -4.90 116.55 117.70 2h26 n ASP 59 Ca 0.12 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 2h26 n ASP 59 Cb 0.65 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 2h26 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2h26 n TRP 60 N 0.42 0.00 -2.63 2.11 7.02 0.95 -5.02 117.44 120.29 2h26 n TRP 60 Ca 0.11 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.20 2h26 n TRP 60 Cb 0.28 -0.21 -0.05 0.00 -2.42 0.00 0.00 31.31 28.91 2h26 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2h26 s SER 61 N -3.05 7.25 0.54 -0.99 1.04 -1.26 -4.68 113.70 112.55 2h26 s SER 61 Ca 0.00 2.03 -0.08 0.00 0.48 0.00 0.00 55.95 58.38 2h26 s SER 61 Cb 0.00 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.48 2h26 s SER 61 CO 0.00 -0.14 0.89 -0.36 0.98 0.00 0.00 173.24 174.62 2h26 s PHE 62 N -1.40 3.58 0.02 5.02 0.08 -0.19 -0.69 117.98 124.40 2h26 s PHE 62 Ca 0.48 1.04 -0.10 0.00 0.12 0.00 0.00 56.93 58.48 2h26 s PHE 62 Cb -0.25 -2.50 0.01 0.00 -0.57 0.00 0.00 43.02 39.71 2h26 s PHE 62 CO 0.31 -0.44 0.20 1.52 -0.10 0.00 0.00 175.22 176.72 2h26 s TYR 63 N -2.90 -0.00 0.00 0.36 -0.85 -0.62 -1.11 117.35 112.23 2h26 s TYR 63 Ca 0.51 -0.11 -0.04 0.00 -0.52 0.00 0.00 57.07 56.91 2h26 s TYR 63 Cb -0.11 -0.01 -0.01 0.00 0.38 0.00 0.00 41.96 42.22 2h26 s TYR 63 CO 0.47 -0.38 0.07 -0.51 -1.52 0.00 0.00 175.55 173.68 2h26 s LEU 64 N -1.71 1.83 -0.17 -3.49 1.43 -0.25 -2.74 118.68 113.58 2h26 s LEU 64 Ca -0.10 -0.27 -0.00 0.00 -1.03 0.00 0.00 54.13 52.73 2h26 s LEU 64 Cb -0.04 0.41 0.00 0.00 0.03 0.00 0.00 46.19 46.59 2h26 s LEU 64 CO -0.00 -0.30 -0.14 -0.22 0.23 0.00 0.00 176.35 175.91 2h26 s LEU 65 N -1.22 2.48 -0.01 1.79 2.96 -1.26 -1.58 118.68 121.83 2h26 s LEU 65 Ca -0.13 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.29 2h26 s LEU 65 Cb -0.08 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 2h26 s LEU 65 CO 0.00 0.05 0.04 -0.31 -1.32 0.00 0.00 176.35 174.81 2h26 s TYR 66 N 1.02 3.19 0.05 5.38 1.51 -0.24 -1.01 117.35 127.24 2h26 s TYR 66 Ca -0.01 0.16 -0.24 0.00 -1.01 0.00 0.00 57.07 55.96 2h26 s TYR 66 Cb -0.15 -1.72 0.06 0.00 -0.11 0.00 0.00 41.96 40.04 2h26 s TYR 66 CO -0.03 0.51 0.56 1.52 -1.11 0.00 0.00 175.55 177.00 2h26 s TYR 67 N -1.11 -0.48 -0.06 2.71 1.13 0.14 -0.35 117.35 119.33 2h26 s TYR 67 Ca 0.20 0.56 -0.25 0.00 -1.41 0.00 0.00 57.07 56.17 2h26 s TYR 67 Cb -0.12 0.39 0.05 0.00 -1.10 0.00 0.00 41.96 41.19 2h26 s TYR 67 CO 0.11 -0.67 0.56 -0.08 -2.51 0.00 0.00 175.55 172.96 2h26 s THR 68 N -2.45 0.02 0.47 -3.49 -1.32 -0.61 -1.44 115.64 106.81 2h26 s THR 68 Ca -0.05 -0.14 -0.24 0.00 -1.21 0.00 0.00 61.69 60.05 2h26 s THR 68 Cb -0.01 -0.87 -0.07 0.00 -1.51 0.00 0.00 72.50 70.04 2h26 s THR 68 CO -0.02 -0.08 1.27 -1.61 -2.21 0.00 0.00 174.62 171.98 2h26 s GLU 69 N -1.07 3.65 0.23 7.08 2.02 -1.26 -0.89 118.70 128.46 2h26 s GLU 69 Ca -0.11 2.05 -0.20 0.00 0.02 0.00 0.00 54.97 56.74 2h26 s GLU 69 Cb -0.02 -2.49 0.03 0.00 0.10 0.00 0.00 34.13 31.75 2h26 s GLU 69 CO 0.07 -0.72 0.62 -0.59 0.02 0.00 0.00 175.26 174.67 2h26 s PHE 70 N -1.37 -0.18 -0.26 1.61 -0.71 -0.68 -4.84 117.98 111.55 2h26 s PHE 70 Ca 0.63 -0.19 0.01 0.00 -1.04 0.00 0.00 56.93 56.34 2h26 s PHE 70 Cb -0.35 0.55 0.07 0.00 -1.21 0.00 0.00 43.02 42.07 2h26 s PHE 70 CO 0.44 -1.06 -0.03 0.99 -1.34 0.00 0.00 175.22 174.22 2h26 s THR 71 N -3.89 1.56 0.42 -4.49 2.01 -1.26 -0.41 115.64 109.59 2h26 s THR 71 Ca 0.10 -1.38 -0.25 0.00 0.31 0.00 0.00 61.69 60.47 2h26 s THR 71 Cb -0.03 -1.90 -0.08 0.00 0.01 0.00 0.00 72.50 70.50 2h26 s THR 71 CO 0.01 -0.22 1.28 -2.16 -0.69 0.00 0.00 174.62 172.84 2h26 s PRO 72 N 1.35 3.87 0.44 4.92 0.04 -1.26 -4.81 135.00 139.55 2h26 s PRO 72 Ca -0.02 2.10 0.04 0.00 0.04 0.00 0.00 61.00 63.15 2h26 s PRO 72 Cb -0.19 -2.66 -0.02 0.00 0.04 0.00 0.00 34.50 31.67 2h26 s PRO 72 CO -0.08 -0.55 0.13 0.95 0.04 0.00 0.00 177.00 177.48 2h26 s THR 73 N -1.31 0.57 0.22 1.26 -4.23 -1.26 -0.23 115.64 110.66 2h26 s THR 73 Ca 0.59 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 59.08 2h26 s THR 73 Cb -0.37 -2.26 -0.01 0.00 1.34 0.00 0.00 72.50 71.20 2h26 s THR 73 CO 0.46 0.00 1.57 -0.08 -0.54 0.00 0.00 174.62 176.04 2h26 h GLU 74 N 1.68 0.55 0.03 3.99 4.81 -1.96 -3.37 114.58 120.30 2h26 h GLU 74 Ca -0.35 -0.29 -0.37 0.00 -0.13 0.00 0.00 59.36 58.21 2h26 h GLU 74 Cb 1.28 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.62 2h26 h GLU 74 CO 0.56 0.88 -2.30 1.63 -0.73 0.00 0.00 179.01 179.05 2h26 n LYS 75 N -4.01 0.68 -1.74 1.92 5.02 -1.26 -4.97 118.16 113.80 2h26 n LYS 75 Ca -0.02 0.16 -0.42 0.00 -2.02 0.00 0.00 58.31 56.01 2h26 n LYS 75 Cb 0.54 -1.58 -0.02 0.00 -0.02 0.00 0.00 35.03 33.94 2h26 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2h26 s ASP 76 N -6.46 6.35 -0.13 4.39 1.01 -1.26 -5.00 116.67 115.58 2h26 s ASP 76 Ca -0.26 2.94 -0.02 0.00 0.71 0.00 0.00 52.55 55.92 2h26 s ASP 76 Cb 0.08 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 2h26 s ASP 76 CO 0.69 -0.95 -0.04 -1.61 0.21 0.00 0.00 175.17 173.47 2h26 s GLU 77 N 0.08 3.39 0.14 8.23 8.01 -1.26 -4.68 118.70 132.61 2h26 s GLU 77 Ca 0.68 -0.51 0.10 0.00 0.01 0.00 0.00 54.97 55.25 2h26 s GLU 77 Cb -0.49 -2.83 -0.04 0.00 -4.31 0.00 0.00 34.13 26.46 2h26 s GLU 77 CO 0.43 0.39 -0.23 0.71 0.01 0.00 0.00 175.26 176.57 2h26 s TYR 78 N -0.05 2.39 0.25 1.61 1.51 -1.26 0.19 117.35 121.99 2h26 s TYR 78 Ca 0.01 -0.33 -0.18 0.00 -1.01 0.00 0.00 57.07 55.56 2h26 s TYR 78 Cb -0.13 -1.26 0.02 0.00 -0.11 0.00 0.00 41.96 40.47 2h26 s TYR 78 CO 0.03 0.39 0.62 0.00 -1.11 0.00 0.00 175.55 175.47 2h26 s ALA 79 N -1.23 -0.91 -0.07 3.71 0.00 -0.71 -0.35 121.76 122.20 2h26 s ALA 79 Ca 0.17 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.73 2h26 s ALA 79 Cb -0.10 0.92 0.01 0.00 0.00 0.00 0.00 23.12 23.95 2h26 s ALA 79 CO 0.08 -0.94 -0.16 0.00 0.00 0.00 0.00 175.76 174.75 2h26 s ARG 81 N 0.52 3.15 -0.07 0.00 3.52 0.09 -0.67 118.95 125.50 2h26 s ARG 81 Ca -0.15 -0.80 0.03 0.00 -0.13 0.00 0.00 55.73 54.68 2h26 s ARG 81 Cb -0.16 -2.48 0.01 0.00 -1.56 0.00 0.00 34.95 30.76 2h26 s ARG 81 CO 0.05 0.10 -0.14 0.08 -0.81 0.00 0.00 175.30 174.58 2h26 s VAL 82 N 0.57 1.30 -0.03 7.11 1.01 0.14 -1.09 120.40 129.41 2h26 s VAL 82 Ca -0.11 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.36 2h26 s VAL 82 Cb -0.16 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 2h26 s VAL 82 CO 0.04 0.39 -0.23 0.21 0.00 0.00 0.00 175.10 175.50 2h26 s ASN 83 N 0.56 3.28 0.02 3.32 2.47 0.16 -0.40 114.94 124.36 2h26 s ASN 83 Ca -0.14 -0.41 -0.21 0.00 0.42 0.00 0.00 52.86 52.52 2h26 s ASN 83 Cb -0.16 -0.46 0.04 0.00 -1.45 0.00 0.00 41.25 39.23 2h26 s ASN 83 CO 0.04 0.33 0.47 -2.28 -3.72 0.00 0.00 177.10 171.94 2h26 s HIS 84 N -0.64 -0.36 0.60 0.43 5.65 -1.26 -1.42 115.29 118.29 2h26 s HIS 84 Ca 0.10 0.44 0.29 0.00 0.25 0.00 0.00 55.06 56.14 2h26 s HIS 84 Cb -0.10 0.27 1.52 0.00 -1.18 0.00 0.00 32.58 33.09 2h26 s HIS 84 CO -0.01 -0.57 1.92 -0.24 -0.65 0.00 0.00 174.74 175.19 2h26 h VAL 85 N 3.06 0.31 -0.00 0.89 3.04 -1.95 -1.29 116.25 120.30 2h26 h VAL 85 Ca -0.30 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 2h26 h VAL 85 Cb 1.19 0.65 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 2h26 h VAL 85 CO 0.42 0.00 -0.18 0.35 -1.01 0.00 0.00 177.57 177.15 2h26 n THR 86 N -3.57 0.00 -3.91 3.17 -2.24 -1.26 -4.80 114.28 101.67 2h26 n THR 86 Ca 0.06 -0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.46 2h26 n THR 86 Cb 0.57 -0.10 -0.05 0.00 -2.10 0.00 0.00 70.33 68.65 2h26 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2h26 s LEU 87 N -2.72 4.36 0.31 3.22 1.43 -0.49 -4.98 118.68 119.81 2h26 s LEU 87 Ca 0.21 0.37 0.17 0.00 -1.03 0.00 0.00 54.13 53.84 2h26 s LEU 87 Cb 0.19 -2.50 0.21 0.00 0.03 0.00 0.00 46.19 44.12 2h26 s LEU 87 CO 0.54 0.29 1.51 0.77 0.23 0.00 0.00 176.35 179.70 2h26 h SER 88 N 4.05 0.00 -5.08 2.29 4.64 -1.87 -3.45 113.55 114.14 2h26 h SER 88 Ca -0.50 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.82 2h26 h SER 88 Cb 1.20 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.20 2h26 h SER 88 CO 0.67 0.43 0.09 0.00 -0.87 0.00 0.00 176.83 177.15 2h26 s GLN 89 N -3.09 1.56 0.41 4.77 -2.07 -1.26 -5.14 119.66 114.84 2h26 s GLN 89 Ca 0.04 -0.96 -0.25 0.00 -1.82 0.00 0.00 55.36 52.36 2h26 s GLN 89 Cb 0.08 0.55 -0.10 0.00 -1.09 0.00 0.00 33.01 32.44 2h26 s GLN 89 CO 0.73 -0.68 1.20 -2.30 -1.32 0.00 0.00 175.29 172.92 2h26 n PRO 90 N -0.40 1.79 -4.05 9.60 -0.02 -1.26 -4.92 135.00 135.74 2h26 n PRO 90 Ca -0.07 0.64 -0.35 0.00 -2.02 0.00 0.00 63.50 61.70 2h26 n PRO 90 Cb 0.61 -2.28 -0.10 0.00 -0.02 0.00 0.00 33.50 31.71 2h26 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2h26 s LYS 91 N -2.12 3.86 -0.18 -0.52 2.47 0.47 -4.87 119.74 118.85 2h26 s LYS 91 Ca 0.61 -0.35 -0.03 0.00 -1.56 0.00 0.00 55.97 54.64 2h26 s LYS 91 Cb -0.53 -3.16 -0.02 0.00 -1.46 0.00 0.00 37.83 32.66 2h26 s LYS 91 CO 0.58 0.33 -0.04 0.42 0.16 0.00 0.00 175.35 176.80 2h26 s ILE 92 N 0.20 3.64 -0.18 5.43 1.01 -1.26 -0.69 121.20 129.35 2h26 s ILE 92 Ca 0.04 -0.43 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 2h26 s ILE 92 Cb -0.12 -2.61 0.00 0.00 0.01 0.00 0.00 42.46 39.73 2h26 s ILE 92 CO 0.01 0.46 -0.13 -0.69 0.00 0.00 0.00 174.94 174.59 2h26 s VAL 93 N 0.80 2.74 0.36 2.92 1.01 0.16 -4.94 120.40 123.44 2h26 s VAL 93 Ca -0.01 -0.73 -0.17 0.00 0.00 0.00 0.00 61.98 61.07 2h26 s VAL 93 Cb -0.15 -2.18 -0.10 0.00 0.00 0.00 0.00 36.38 33.95 2h26 s VAL 93 CO 0.02 0.50 0.81 -0.54 0.00 0.00 0.00 175.10 175.88 2h26 s LYS 94 N 1.09 4.09 0.03 2.72 1.02 -1.26 -0.46 119.74 126.97 2h26 s LYS 94 Ca 0.00 0.84 -0.30 0.00 0.02 0.00 0.00 55.97 56.53 2h26 s LYS 94 Cb -0.14 -2.36 -0.04 0.00 -0.52 0.00 0.00 37.83 34.77 2h26 s LYS 94 CO -0.04 0.10 0.97 -0.46 -0.92 0.00 0.00 175.35 175.00 2h26 s TRP 95 N -2.04 3.70 -0.24 3.18 -0.00 0.52 -4.91 118.94 119.16 2h26 s TRP 95 Ca 0.57 1.72 0.01 0.00 -0.00 0.00 0.00 56.10 58.39 2h26 s TRP 95 Cb -0.10 -3.09 0.06 0.00 -0.00 0.00 0.00 33.47 30.34 2h26 s TRP 95 CO 0.16 0.06 -0.07 0.34 -0.00 0.00 0.00 176.95 177.44 2h26 s ASP 96 N 0.71 3.94 0.55 5.86 -1.08 -1.26 -4.73 116.67 120.67 2h26 s ASP 96 Ca 0.50 -1.21 0.37 0.00 -0.52 0.00 0.00 52.55 51.70 2h26 s ASP 96 Cb -0.22 -1.25 2.00 0.00 -1.46 0.00 0.00 42.92 41.99 2h26 s ASP 96 CO 0.28 -0.22 2.14 0.08 0.52 0.00 0.00 175.17 177.97 2h26 h ARG 97 N 7.92 0.00 0.00 4.34 0.11 -1.97 -1.98 114.38 122.80 2h26 h ARG 97 Ca -0.18 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.90 2h26 h ARG 97 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 2h26 h ARG 97 CO 0.42 0.00 -0.51 -0.25 0.10 0.00 0.00 179.97 179.74 2h26 n ASP 98 N -2.82 0.52 -0.51 0.08 10.43 -1.26 -4.90 116.55 118.09 2h26 n ASP 98 Ca -0.02 -0.07 0.06 0.00 2.57 0.00 0.00 54.79 57.33 2h26 n ASP 98 Cb 0.07 0.17 0.05 0.00 1.84 0.00 0.00 41.12 43.25 2h26 n ASP 98 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36