#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m6o s GLN 2 N 0.00 0.88 -0.06 6.28 -0.21 -1.26 -4.76 119.66 120.53 1m6o s GLN 2 Ca 0.00 -1.15 0.02 0.00 0.02 0.00 0.00 55.36 54.25 1m6o s GLN 2 Cb 0.00 -0.65 0.02 0.00 1.00 0.00 0.00 33.01 33.38 1m6o s GLN 2 CO 0.00 0.11 -0.09 1.03 -2.12 0.00 0.00 175.29 174.23 1m6o s ARG 3 N -2.62 1.35 0.41 2.91 0.52 0.62 -4.95 118.95 117.20 1m6o s ARG 3 Ca 0.05 -0.28 -0.23 0.00 -0.52 0.00 0.00 55.73 54.75 1m6o s ARG 3 Cb -0.04 -1.21 -0.09 0.00 0.52 0.00 0.00 34.95 34.13 1m6o s ARG 3 CO 0.01 -0.04 1.05 -0.08 0.02 0.00 0.00 175.30 176.26 1m6o s THR 4 N 0.86 3.72 0.42 0.02 -1.32 -1.26 -1.53 115.64 116.54 1m6o s THR 4 Ca -0.12 1.28 -0.23 0.00 -1.21 0.00 0.00 61.69 61.41 1m6o s THR 4 Cb -0.15 -3.64 -0.09 0.00 -1.51 0.00 0.00 72.50 67.11 1m6o s THR 4 CO 0.01 -0.04 1.04 -2.16 -2.21 0.00 0.00 174.62 171.27 1m6o s PRO 5 N -2.62 4.09 0.22 7.08 0.04 -1.26 -4.33 135.00 138.22 1m6o s PRO 5 Ca 0.59 1.46 -0.07 0.00 0.04 0.00 0.00 61.00 63.02 1m6o s PRO 5 Cb -0.21 -2.43 -0.06 0.00 0.04 0.00 0.00 34.50 31.84 1m6o s PRO 5 CO 0.26 -0.20 0.51 0.15 0.04 0.00 0.00 177.00 177.77 1m6o s LYS 6 N -2.68 3.72 -0.04 4.56 1.02 0.85 -4.90 119.74 122.27 1m6o s LYS 6 Ca 0.60 0.13 0.01 0.00 0.02 0.00 0.00 55.97 56.73 1m6o s LYS 6 Cb -0.20 -2.69 0.02 0.00 -0.52 0.00 0.00 37.83 34.44 1m6o s LYS 6 CO 0.25 0.33 -0.05 0.42 -0.92 0.00 0.00 175.35 175.38 1m6o s ILE 7 N -1.84 0.53 -0.05 2.17 1.01 -1.26 -2.11 121.20 119.65 1m6o s ILE 7 Ca 0.45 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.97 1m6o s ILE 7 Cb -0.11 -0.54 0.02 0.00 0.01 0.00 0.00 42.46 41.84 1m6o s ILE 7 CO 0.24 0.21 -0.06 -1.10 0.00 0.00 0.00 174.94 174.23 1m6o s GLN 8 N 0.74 1.00 -0.15 2.79 -0.21 -0.68 -5.00 119.66 118.16 1m6o s GLN 8 Ca -0.10 -0.16 0.01 0.00 0.02 0.00 0.00 55.36 55.13 1m6o s GLN 8 Cb -0.13 -0.96 0.00 0.00 1.00 0.00 0.00 33.01 32.92 1m6o s GLN 8 CO 0.00 -0.07 -0.17 0.08 -2.12 0.00 0.00 175.29 173.01 1m6o s VAL 9 N 0.90 2.50 0.30 1.09 1.01 -1.26 -0.51 120.40 124.43 1m6o s VAL 9 Ca -0.11 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 60.85 1m6o s VAL 9 Cb -0.15 -2.04 0.05 0.00 0.00 0.00 0.00 36.38 34.25 1m6o s VAL 9 CO 0.01 0.53 0.85 -0.72 0.00 0.00 0.00 175.10 175.76 1m6o s TYR 10 N 0.76 0.03 0.20 5.22 1.13 -0.26 -4.54 117.35 119.88 1m6o s TYR 10 Ca -0.07 -0.57 0.06 0.00 -1.41 0.00 0.00 57.07 55.08 1m6o s TYR 10 Cb -0.16 0.77 -0.04 0.00 -1.10 0.00 0.00 41.96 41.43 1m6o s TYR 10 CO 0.00 -1.30 0.13 -1.54 -2.51 0.00 0.00 175.55 170.33 1m6o s SER 11 N -3.11 5.34 0.09 -0.18 1.04 -1.26 0.77 113.70 116.40 1m6o s SER 11 Ca 0.16 -0.25 -0.16 0.00 0.48 0.00 0.00 55.95 56.18 1m6o s SER 11 Cb -0.04 -1.32 -0.08 0.00 0.10 0.00 0.00 66.02 64.68 1m6o s SER 11 CO 0.08 0.03 1.46 -0.09 0.98 0.00 0.00 173.24 175.70 1m6o h ARG 12 N 2.10 0.62 -6.09 4.02 2.43 -1.64 -3.45 114.38 112.37 1m6o h ARG 12 Ca -0.48 -0.28 -0.59 0.00 -0.81 0.00 0.00 59.98 57.83 1m6o h ARG 12 Cb 1.22 -0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 30.64 1m6o h ARG 12 CO 0.61 0.86 -0.66 -1.01 -1.51 0.00 0.00 179.97 178.26 1m6o s HIS 13 N -4.58 2.50 0.24 2.20 3.76 -1.26 -5.05 115.29 113.09 1m6o s HIS 13 Ca -0.13 -0.38 -0.31 0.00 -0.15 0.00 0.00 55.06 54.09 1m6o s HIS 13 Cb 0.08 -1.30 -0.13 0.00 1.11 0.00 0.00 32.58 32.34 1m6o s HIS 13 CO 0.80 0.57 1.52 -2.30 -0.85 0.00 0.00 174.74 174.48 1m6o n PRO 14 N -0.85 2.32 -1.87 8.40 -0.02 -1.26 -4.88 135.00 136.83 1m6o n PRO 14 Ca -0.05 0.83 -0.41 0.00 -2.02 0.00 0.00 63.50 61.85 1m6o n PRO 14 Cb 0.61 -2.56 -0.01 0.00 -0.02 0.00 0.00 33.50 31.52 1m6o n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1m6o s ALA 15 N 0.25 3.64 -0.25 3.55 0.00 -1.26 -5.01 121.76 122.68 1m6o s ALA 15 Ca 0.70 1.49 -0.02 0.00 0.00 0.00 0.00 51.96 54.13 1m6o s ALA 15 Cb -0.60 -3.60 0.13 0.00 0.00 0.00 0.00 23.12 19.06 1m6o s ALA 15 CO 0.45 -0.92 0.36 -2.00 0.00 0.00 0.00 175.76 173.65 1m6o s GLU 16 N -1.11 0.34 -0.06 0.00 2.12 -1.26 -5.12 118.70 113.62 1m6o s GLU 16 Ca 0.58 0.33 -0.39 0.00 0.36 0.00 0.00 54.97 55.84 1m6o s GLU 16 Cb -0.45 -0.55 -0.18 0.00 0.26 0.00 0.00 34.13 33.21 1m6o s GLU 16 CO 0.52 -0.77 1.37 0.09 -0.54 0.00 0.00 175.26 175.93 1m6o n ASN 17 N 5.35 1.31 0.00 -1.70 3.02 -1.26 -0.60 115.26 121.39 1m6o n ASN 17 Ca -0.03 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.65 1m6o n ASN 17 Cb 0.49 -1.08 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 1m6o n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1m6o n GLY 18 N 2.71 1.27 3.58 7.41 0.00 -0.21 -4.99 105.19 114.97 1m6o n GLY 18 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1m6o n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1m6o s LYS 19 N -0.55 3.91 0.49 1.61 2.47 0.23 -5.00 119.74 122.91 1m6o s LYS 19 Ca 0.00 -0.35 -0.22 0.00 -1.56 0.00 0.00 55.97 53.83 1m6o s LYS 19 Cb 0.00 -3.43 -0.08 0.00 -1.46 0.00 0.00 37.83 32.86 1m6o s LYS 19 CO 0.00 0.00 1.10 0.45 0.16 0.00 0.00 175.35 177.06 1m6o n SER 20 N 4.42 1.57 -0.64 1.43 2.88 -1.26 -4.24 113.62 117.78 1m6o n SER 20 Ca -0.15 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 1m6o n SER 20 Cb 0.52 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 1m6o n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1m6o n ASN 21 N -0.11 0.00 -3.98 -3.46 2.85 0.20 -4.96 115.26 105.81 1m6o n ASN 21 Ca 0.10 -0.64 -0.23 0.00 -0.11 0.00 0.00 54.58 53.71 1m6o n ASN 21 Cb 0.42 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.28 1m6o n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1m6o s PHE 22 N -5.65 1.20 -0.24 1.20 0.40 -1.26 -1.24 117.98 112.39 1m6o s PHE 22 Ca 0.00 -0.41 -0.13 0.00 -0.60 0.00 0.00 56.93 55.79 1m6o s PHE 22 Cb 0.00 -0.92 -0.05 0.00 0.51 0.00 0.00 43.02 42.57 1m6o s PHE 22 CO 0.00 -0.24 0.26 -1.17 0.70 0.00 0.00 175.22 174.77 1m6o s LEU 23 N 0.72 4.10 0.06 -0.37 2.96 0.66 -1.45 118.68 125.36 1m6o s LEU 23 Ca -0.13 0.23 0.07 0.00 -0.22 0.00 0.00 54.13 54.08 1m6o s LEU 23 Cb -0.15 -2.26 -0.03 0.00 0.50 0.00 0.00 46.19 44.24 1m6o s LEU 23 CO 0.03 -0.03 -0.17 0.20 -1.32 0.00 0.00 176.35 175.06 1m6o s ASN 24 N 1.24 3.90 -0.18 3.68 0.01 0.23 -2.07 114.94 121.75 1m6o s ASN 24 Ca 0.12 -0.43 -0.02 0.00 -0.71 0.00 0.00 52.86 51.81 1m6o s ASN 24 Cb -0.15 -0.64 0.05 0.00 0.41 0.00 0.00 41.25 40.93 1m6o s ASN 24 CO 0.07 0.24 0.01 0.00 -1.51 0.00 0.00 177.10 175.91 1m6o s TYR 26 N 1.78 3.13 -0.10 0.00 5.04 0.33 -0.85 117.35 126.68 1m6o s TYR 26 Ca -0.01 -0.34 -0.00 0.00 -2.44 0.00 0.00 57.07 54.28 1m6o s TYR 26 Cb -0.17 -2.29 -0.02 0.00 0.35 0.00 0.00 41.96 39.84 1m6o s TYR 26 CO -0.07 -0.34 -0.09 0.14 -1.34 0.00 0.00 175.55 173.85 1m6o s VAL 27 N 1.64 3.43 0.27 3.14 -7.23 -0.36 -1.68 120.40 119.61 1m6o s VAL 27 Ca 0.06 -0.55 -0.10 0.00 -1.81 0.00 0.00 61.98 59.58 1m6o s VAL 27 Cb -0.16 -2.43 -0.00 0.00 0.56 0.00 0.00 36.38 34.35 1m6o s VAL 27 CO 0.06 0.55 0.48 -0.94 -0.31 0.00 0.00 175.10 174.94 1m6o s SER 28 N -0.17 0.13 -1.11 4.85 1.04 -0.90 -0.75 113.70 116.80 1m6o s SER 28 Ca 0.01 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.36 1m6o s SER 28 Cb -0.13 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1m6o s SER 28 CO 0.03 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.66 1m6o n GLY 29 N -0.42 1.13 3.89 7.32 0.00 -0.49 -0.10 105.19 116.51 1m6o n GLY 29 Ca -0.01 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 1m6o n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1m6o s PHE 30 N -2.21 3.29 -0.29 1.61 -0.12 -1.20 -4.49 117.98 114.58 1m6o s PHE 30 Ca 0.00 -0.05 -0.17 0.00 -0.05 0.00 0.00 56.93 56.66 1m6o s PHE 30 Cb 0.00 -1.50 0.13 0.00 -0.63 0.00 0.00 43.02 41.01 1m6o s PHE 30 CO 0.00 0.49 0.91 -1.58 -0.05 0.00 0.00 175.22 174.98 1m6o s HIS 31 N -2.01 -0.68 1.23 3.49 2.46 -0.58 -0.91 115.29 118.28 1m6o s HIS 31 Ca 0.33 1.40 -0.21 0.00 0.47 0.00 0.00 55.06 57.06 1m6o s HIS 31 Cb -0.09 0.41 0.31 0.00 -0.13 0.00 0.00 32.58 33.09 1m6o s HIS 31 CO 0.27 -0.34 0.94 -0.35 -2.47 0.00 0.00 174.74 172.79 1m6o n PRO 32 N 3.65 -3.64 0.18 2.88 -0.04 -1.26 -0.27 135.00 136.49 1m6o n PRO 32 Ca -0.18 -1.53 0.06 0.00 -0.04 0.00 0.00 63.50 61.80 1m6o n PRO 32 Cb 0.58 -1.62 0.25 0.00 -0.04 0.00 0.00 33.50 32.67 1m6o n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1m6o h SER 33 N -2.96 0.00 -2.71 3.54 4.64 -1.99 -3.45 113.55 110.62 1m6o h SER 33 Ca -0.38 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.42 1m6o h SER 33 Cb 1.20 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.34 1m6o h SER 33 CO 0.24 0.38 0.99 -1.81 -0.87 0.00 0.00 176.83 175.76 1m6o s ASP 34 N -6.39 6.42 -0.14 4.97 1.01 -1.26 -4.97 116.67 116.31 1m6o s ASP 34 Ca 0.02 2.83 -0.28 0.00 0.71 0.00 0.00 52.55 55.82 1m6o s ASP 34 Cb 0.10 -2.60 0.07 0.00 1.01 0.00 0.00 42.92 41.49 1m6o s ASP 34 CO 0.70 -0.94 0.68 -0.51 0.21 0.00 0.00 175.17 175.30 1m6o s ILE 35 N 1.14 0.00 -0.16 0.77 2.07 -1.26 -4.62 121.20 119.14 1m6o s ILE 35 Ca 0.74 -0.01 -0.00 0.00 -1.41 0.00 0.00 60.65 59.96 1m6o s ILE 35 Cb -0.49 -0.98 -0.00 0.00 0.13 0.00 0.00 42.46 41.12 1m6o s ILE 35 CO 0.32 -0.01 -0.14 -0.70 -1.91 0.00 0.00 174.94 172.50 1m6o s GLU 36 N -0.54 3.24 -0.05 3.50 2.12 -0.36 -5.00 118.70 121.62 1m6o s GLU 36 Ca -0.06 -0.73 0.01 0.00 0.36 0.00 0.00 54.97 54.55 1m6o s GLU 36 Cb -0.02 -2.66 0.02 0.00 0.26 0.00 0.00 34.13 31.72 1m6o s GLU 36 CO 0.06 0.01 -0.07 0.08 -0.54 0.00 0.00 175.26 174.80 1m6o s VAL 37 N 0.84 0.70 0.04 3.70 1.01 -1.26 -0.99 120.40 124.44 1m6o s VAL 37 Ca -0.04 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 61.76 1m6o s VAL 37 Cb -0.15 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 1m6o s VAL 37 CO -0.00 0.26 -0.17 -1.81 0.00 0.00 0.00 175.10 173.38 1m6o s ASP 38 N 0.78 1.97 -0.17 3.32 1.01 -0.27 -4.98 116.67 118.33 1m6o s ASP 38 Ca -0.12 -0.48 -0.07 0.00 0.71 0.00 0.00 52.55 52.59 1m6o s ASP 38 Cb -0.14 -0.14 -0.04 0.00 1.01 0.00 0.00 42.92 43.60 1m6o s ASP 38 CO 0.01 0.08 0.07 -0.76 0.21 0.00 0.00 175.17 174.78 1m6o s LEU 39 N -1.16 3.87 -0.02 1.23 1.43 -1.26 -0.78 118.68 122.00 1m6o s LEU 39 Ca 0.04 0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.31 1m6o s LEU 39 Cb -0.08 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 1m6o s LEU 39 CO 0.01 0.21 -0.13 -0.76 0.23 0.00 0.00 176.35 175.92 1m6o s LEU 40 N 0.14 2.83 -0.25 1.79 1.43 0.58 -0.73 118.68 124.46 1m6o s LEU 40 Ca 0.05 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 1m6o s LEU 40 Cb -0.12 -1.61 0.06 0.00 0.03 0.00 0.00 46.19 44.54 1m6o s LEU 40 CO 0.00 0.31 -0.11 -0.75 0.23 0.00 0.00 176.35 176.04 1m6o s LYS 41 N -1.06 2.21 -1.37 1.70 2.20 0.89 -1.97 119.74 122.34 1m6o s LYS 41 Ca 0.14 -1.30 -0.04 0.00 -0.36 0.00 0.00 55.97 54.41 1m6o s LYS 41 Cb -0.11 -2.85 0.02 0.00 -1.51 0.00 0.00 37.83 33.39 1m6o s LYS 41 CO 0.03 -0.56 0.78 0.09 -0.36 0.00 0.00 175.35 175.33 1m6o n ASN 42 N 4.46 -2.23 0.00 1.43 3.02 0.16 -1.68 115.26 120.42 1m6o n ASN 42 Ca -0.14 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 1m6o n ASN 42 Cb 0.42 -4.00 0.00 0.00 -0.61 0.00 0.00 39.78 35.59 1m6o n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1m6o n GLY 43 N -1.63 2.90 3.83 7.41 0.00 -1.26 -5.02 105.19 111.43 1m6o n GLY 43 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 1m6o n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1m6o s GLU 44 N -0.04 3.16 0.14 1.61 0.41 -0.68 -5.01 118.70 118.29 1m6o s GLU 44 Ca 0.00 -0.49 -0.31 0.00 -0.41 0.00 0.00 54.97 53.76 1m6o s GLU 44 Cb 0.00 -2.91 -0.08 0.00 -1.78 0.00 0.00 34.13 29.36 1m6o s GLU 44 CO 0.00 0.63 1.35 0.50 -0.49 0.00 0.00 175.26 177.24 1m6o s ARG 45 N -2.04 4.35 0.06 1.61 3.52 -1.26 -0.08 118.95 125.12 1m6o s ARG 45 Ca 0.27 2.05 -0.27 0.00 -0.13 0.00 0.00 55.73 57.65 1m6o s ARG 45 Cb -0.12 -3.23 -0.05 0.00 -1.56 0.00 0.00 34.95 29.98 1m6o s ARG 45 CO 0.19 -0.35 0.83 0.42 -0.81 0.00 0.00 175.30 175.57 1m6o s ILE 46 N 0.71 4.66 0.46 4.11 1.01 0.09 -4.88 121.20 127.37 1m6o s ILE 46 Ca 0.61 1.77 -0.14 0.00 0.00 0.00 0.00 60.65 62.89 1m6o s ILE 46 Cb -0.36 -4.18 -0.08 0.00 0.01 0.00 0.00 42.46 37.85 1m6o s ILE 46 CO 0.33 0.35 0.89 -1.61 0.00 0.00 0.00 174.94 174.90 1m6o s GLU 47 N -0.01 3.90 -1.65 2.79 2.02 -1.26 -4.29 118.70 120.20 1m6o s GLU 47 Ca 0.41 0.77 -0.03 0.00 0.02 0.00 0.00 54.97 56.15 1m6o s GLU 47 Cb -0.21 -2.25 0.00 0.00 0.10 0.00 0.00 34.13 31.77 1m6o s GLU 47 CO 0.25 -0.15 0.32 1.63 0.02 0.00 0.00 175.26 177.32 1m6o n LYS 48 N -1.38 -3.36 -2.26 1.61 5.02 -1.26 -4.96 118.16 111.57 1m6o n LYS 48 Ca 0.05 0.94 -0.40 0.00 -2.02 0.00 0.00 58.31 56.88 1m6o n LYS 48 Cb 0.54 -5.71 -0.03 0.00 -0.02 0.00 0.00 35.03 29.81 1m6o n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1m6o s VAL 49 N -3.10 3.03 0.35 -0.18 1.01 -1.26 -4.99 120.40 115.26 1m6o s VAL 49 Ca 0.16 1.02 0.08 0.00 0.00 0.00 0.00 61.98 63.23 1m6o s VAL 49 Cb -0.07 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 1m6o s VAL 49 CO 0.20 0.23 0.28 -1.61 0.00 0.00 0.00 175.10 174.19 1m6o s GLU 50 N -1.74 2.62 0.09 2.72 2.02 -0.74 -4.94 118.70 118.74 1m6o s GLU 50 Ca 0.48 -1.39 -0.12 0.00 0.02 0.00 0.00 54.97 53.97 1m6o s GLU 50 Cb -0.36 -2.40 0.01 0.00 0.10 0.00 0.00 34.13 31.49 1m6o s GLU 50 CO 0.47 0.05 0.27 -3.38 0.02 0.00 0.00 175.26 172.69 1m6o s HIS 51 N -2.36 0.00 0.92 1.61 -3.43 -1.26 -0.53 115.29 110.25 1m6o s HIS 51 Ca 0.42 -0.36 -0.12 0.00 -0.80 0.00 0.00 55.06 54.19 1m6o s HIS 51 Cb -0.05 0.06 0.14 0.00 -1.43 0.00 0.00 32.58 31.31 1m6o s HIS 51 CO 0.26 -0.59 1.12 -1.54 -2.00 0.00 0.00 174.74 171.99 1m6o s SER 52 N -2.73 3.36 0.12 7.38 1.04 -0.16 -4.98 113.70 117.74 1m6o s SER 52 Ca 0.03 1.07 -0.30 0.00 0.48 0.00 0.00 55.95 57.23 1m6o s SER 52 Cb 0.03 -1.70 -0.06 0.00 0.10 0.00 0.00 66.02 64.39 1m6o s SER 52 CO -0.10 -2.65 1.00 -1.81 0.98 0.00 0.00 173.24 170.65 1m6o s ASP 53 N -3.84 7.44 -0.12 7.02 1.01 -1.26 -4.77 116.67 122.14 1m6o s ASP 53 Ca 0.64 1.86 -0.38 0.00 0.71 0.00 0.00 52.55 55.38 1m6o s ASP 53 Cb -0.16 -2.59 -0.15 0.00 1.01 0.00 0.00 42.92 41.03 1m6o s ASP 53 CO 0.55 -0.11 1.65 -0.11 0.21 0.00 0.00 175.17 177.36 1m6o n LEU 54 N 2.73 2.44 -4.26 1.23 7.94 -1.26 -4.95 117.00 120.87 1m6o n LEU 54 Ca 0.03 1.07 -0.15 0.00 -1.11 0.00 0.00 56.01 55.85 1m6o n LEU 54 Cb 0.48 -1.22 -0.10 0.00 0.53 0.00 0.00 43.42 43.12 1m6o n LEU 54 CO 0.52 -0.51 -0.23 -0.44 -1.11 0.00 0.00 177.39 175.62 1m6o s SER 55 N 2.66 0.75 0.12 1.96 0.01 -1.23 -5.06 113.70 112.91 1m6o s SER 55 Ca 0.92 -1.44 -0.09 0.00 1.31 0.00 0.00 55.95 56.65 1m6o s SER 55 Cb -0.95 0.33 -0.00 0.00 0.21 0.00 0.00 66.02 65.61 1m6o s SER 55 CO 0.56 -0.83 0.24 0.72 0.41 0.00 0.00 173.24 174.35 1m6o s PHE 56 N -3.92 0.22 0.73 2.43 -0.71 -1.26 -1.80 117.98 113.67 1m6o s PHE 56 Ca 0.38 -0.61 -0.04 0.00 -1.04 0.00 0.00 56.93 55.62 1m6o s PHE 56 Cb 0.07 -0.03 0.15 0.00 -1.21 0.00 0.00 43.02 42.00 1m6o s PHE 56 CO 0.14 -0.62 1.01 0.43 -1.34 0.00 0.00 175.22 174.83 1m6o n SER 57 N -0.13 1.01 0.27 1.98 7.64 0.36 -4.93 113.62 119.82 1m6o n SER 57 Ca -0.12 -1.93 0.11 0.00 1.01 0.00 0.00 58.87 57.94 1m6o n SER 57 Cb 0.63 -0.68 0.76 0.00 -1.01 0.00 0.00 64.21 63.91 1m6o n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1m6o h LYS 58 N 0.00 0.00 -0.54 1.43 1.57 -2.03 -0.87 116.57 116.13 1m6o h LYS 58 Ca -0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1m6o h LYS 58 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1m6o h LYS 58 CO 0.32 0.03 0.00 -0.40 -0.57 0.00 0.00 179.45 178.83 1m6o n ASP 59 N -4.11 2.69 0.00 0.86 5.68 -1.26 -4.90 116.55 115.51 1m6o n ASP 59 Ca -0.03 -2.19 0.00 0.00 -0.50 0.00 0.00 54.79 52.07 1m6o n ASP 59 Cb 0.12 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.70 1m6o n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1m6o n TRP 60 N 0.56 0.00 -2.66 2.11 7.02 -0.33 -5.01 117.44 119.12 1m6o n TRP 60 Ca 0.14 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.26 1m6o n TRP 60 Cb 0.50 -0.43 -0.05 0.00 -2.42 0.00 0.00 31.31 28.90 1m6o n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1m6o s SER 61 N -2.70 6.98 0.53 -0.99 1.04 -1.26 -4.70 113.70 112.61 1m6o s SER 61 Ca 0.00 1.92 -0.07 0.00 0.48 0.00 0.00 55.95 58.28 1m6o s SER 61 Cb 0.00 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.51 1m6o s SER 61 CO 0.00 -0.33 0.87 -0.36 0.98 0.00 0.00 173.24 174.40 1m6o s PHE 62 N -1.72 3.56 -0.11 5.02 0.08 -0.09 -0.49 117.98 124.24 1m6o s PHE 62 Ca 0.56 0.95 -0.13 0.00 0.12 0.00 0.00 56.93 58.43 1m6o s PHE 62 Cb -0.19 -2.46 0.03 0.00 -0.57 0.00 0.00 43.02 39.83 1m6o s PHE 62 CO 0.24 -0.44 0.34 1.52 -0.10 0.00 0.00 175.22 176.78 1m6o s TYR 63 N -2.89 -0.35 -0.00 0.36 -0.85 -0.75 -1.40 117.35 111.47 1m6o s TYR 63 Ca 0.50 0.81 -0.06 0.00 -0.52 0.00 0.00 57.07 57.80 1m6o s TYR 63 Cb -0.11 0.13 0.00 0.00 0.38 0.00 0.00 41.96 42.36 1m6o s TYR 63 CO 0.48 -0.23 0.12 -0.51 -1.52 0.00 0.00 175.55 173.89 1m6o s LEU 64 N -0.11 1.61 -0.18 -3.49 1.43 0.07 -3.54 118.68 114.48 1m6o s LEU 64 Ca -0.03 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1m6o s LEU 64 Cb -0.03 0.60 0.01 0.00 0.03 0.00 0.00 46.19 46.79 1m6o s LEU 64 CO 0.01 -0.33 -0.14 -0.22 0.23 0.00 0.00 176.35 175.90 1m6o s LEU 65 N -1.22 2.44 -0.12 1.79 2.96 -1.26 -1.23 118.68 122.04 1m6o s LEU 65 Ca -0.13 -0.52 -0.04 0.00 -0.22 0.00 0.00 54.13 53.21 1m6o s LEU 65 Cb -0.07 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 1m6o s LEU 65 CO 0.01 0.02 0.04 -0.31 -1.32 0.00 0.00 176.35 174.79 1m6o s TYR 66 N 1.19 3.25 0.09 5.38 1.51 -0.03 -0.99 117.35 127.75 1m6o s TYR 66 Ca 0.02 0.19 -0.14 0.00 -1.01 0.00 0.00 57.07 56.13 1m6o s TYR 66 Cb -0.14 -1.89 0.03 0.00 -0.11 0.00 0.00 41.96 39.84 1m6o s TYR 66 CO -0.06 0.41 0.34 1.52 -1.11 0.00 0.00 175.55 176.65 1m6o s TYR 67 N -0.54 -0.13 -0.01 2.71 1.13 0.32 -0.82 117.35 120.00 1m6o s TYR 67 Ca 0.10 -0.13 -0.27 0.00 -1.41 0.00 0.00 57.07 55.35 1m6o s TYR 67 Cb -0.12 0.16 0.06 0.00 -1.10 0.00 0.00 41.96 40.96 1m6o s TYR 67 CO 0.02 -0.61 0.61 -0.08 -2.51 0.00 0.00 175.55 172.98 1m6o s THR 68 N -3.35 0.01 0.42 -3.49 -1.32 -0.88 -1.80 115.64 105.24 1m6o s THR 68 Ca 0.00 -0.08 -0.23 0.00 -1.21 0.00 0.00 61.69 60.18 1m6o s THR 68 Cb 0.01 -0.96 -0.09 0.00 -1.51 0.00 0.00 72.50 69.95 1m6o s THR 68 CO -0.09 -0.04 1.02 -1.61 -2.21 0.00 0.00 174.62 171.69 1m6o s GLU 69 N -1.68 4.11 0.01 7.08 2.02 -1.26 -0.25 118.70 128.72 1m6o s GLU 69 Ca -0.09 1.38 -0.28 0.00 0.02 0.00 0.00 54.97 56.00 1m6o s GLU 69 Cb -0.01 -2.37 0.09 0.00 0.10 0.00 0.00 34.13 31.94 1m6o s GLU 69 CO 0.05 -0.17 0.77 -0.59 0.02 0.00 0.00 175.26 175.35 1m6o s PHE 70 N -1.84 -0.48 -0.40 1.61 -0.71 -0.37 -4.81 117.98 110.98 1m6o s PHE 70 Ca 0.61 0.54 0.04 0.00 -1.04 0.00 0.00 56.93 57.07 1m6o s PHE 70 Cb -0.18 0.50 0.11 0.00 -1.21 0.00 0.00 43.02 42.24 1m6o s PHE 70 CO 0.22 -0.62 0.12 0.99 -1.34 0.00 0.00 175.22 174.60 1m6o s THR 71 N -2.50 2.29 0.51 -4.49 2.01 -1.26 0.61 115.64 112.81 1m6o s THR 71 Ca -0.01 -2.63 -0.23 0.00 0.31 0.00 0.00 61.69 59.13 1m6o s THR 71 Cb -0.01 -2.66 -0.06 0.00 0.01 0.00 0.00 72.50 69.78 1m6o s THR 71 CO -0.04 -0.68 1.39 -2.16 -0.69 0.00 0.00 174.62 172.44 1m6o s PRO 72 N 0.54 3.36 0.38 4.92 0.04 -1.26 -4.71 135.00 138.26 1m6o s PRO 72 Ca 0.13 2.31 0.04 0.00 0.04 0.00 0.00 61.00 63.52 1m6o s PRO 72 Cb -0.21 -2.41 -0.03 0.00 0.04 0.00 0.00 34.50 31.88 1m6o s PRO 72 CO -0.06 -1.04 0.13 0.95 0.04 0.00 0.00 177.00 177.02 1m6o s THR 73 N -1.26 0.59 0.17 1.26 -4.23 -1.26 -1.04 115.64 109.86 1m6o s THR 73 Ca 0.67 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 59.12 1m6o s THR 73 Cb -0.42 -2.43 -0.05 0.00 1.34 0.00 0.00 72.50 70.94 1m6o s THR 73 CO 0.51 0.00 1.49 -0.08 -0.54 0.00 0.00 174.62 176.00 1m6o h GLU 74 N 1.91 0.73 0.01 3.99 4.22 -1.97 -3.35 114.58 120.12 1m6o h GLU 74 Ca -0.35 -0.43 -0.06 0.00 0.08 0.00 0.00 59.36 58.61 1m6o h GLU 74 Cb 1.26 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 1m6o h GLU 74 CO 0.56 1.05 -0.29 1.57 -2.18 0.00 0.00 179.01 179.73 1m6o h LYS 75 N 0.58 0.02 -6.37 1.92 2.10 -2.02 -3.47 116.57 109.34 1m6o h LYS 75 Ca 0.03 -0.04 -0.64 0.00 -2.00 0.00 0.00 60.65 57.99 1m6o h LYS 75 Cb 1.05 0.02 0.07 0.00 -0.90 0.00 0.00 32.23 32.46 1m6o h LYS 75 CO 0.10 1.02 0.48 -0.25 -2.00 0.00 0.00 179.45 178.80 1m6o n ASP 76 N -4.54 1.94 -4.54 7.07 8.00 -1.26 -4.99 116.55 118.24 1m6o n ASP 76 Ca -0.14 1.12 -0.34 0.00 0.71 0.00 0.00 54.79 56.14 1m6o n ASP 76 Cb 0.54 -1.27 -0.12 0.00 -0.02 0.00 0.00 41.12 40.26 1m6o n ASP 76 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1m6o s GLU 77 N 0.21 3.15 0.14 -1.24 2.02 -1.26 -4.71 118.70 117.01 1m6o s GLU 77 Ca 0.78 -0.54 0.09 0.00 0.02 0.00 0.00 54.97 55.32 1m6o s GLU 77 Cb -0.84 -2.72 -0.04 0.00 0.10 0.00 0.00 34.13 30.63 1m6o s GLU 77 CO 0.47 0.47 -0.20 0.71 0.02 0.00 0.00 175.26 176.74 1m6o s TYR 78 N -0.29 1.85 0.29 1.61 2.02 -1.26 0.40 117.35 121.97 1m6o s TYR 78 Ca 0.04 -0.44 -0.20 0.00 -0.37 0.00 0.00 57.07 56.10 1m6o s TYR 78 Cb -0.13 -0.96 0.03 0.00 -0.40 0.00 0.00 41.96 40.51 1m6o s TYR 78 CO 0.02 0.30 0.77 0.00 -1.57 0.00 0.00 175.55 175.07 1m6o s ALA 79 N -1.69 -1.16 -0.07 3.71 0.00 -0.83 -0.76 121.76 120.95 1m6o s ALA 79 Ca 0.13 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.74 1m6o s ALA 79 Cb -0.07 0.79 0.01 0.00 0.00 0.00 0.00 23.12 23.84 1m6o s ALA 79 CO 0.06 -1.03 -0.16 0.00 0.00 0.00 0.00 175.76 174.63 1m6o s ARG 81 N 0.45 3.41 -0.04 0.00 3.52 0.04 -0.34 118.95 125.99 1m6o s ARG 81 Ca -0.14 -0.64 0.05 0.00 -0.13 0.00 0.00 55.73 54.87 1m6o s ARG 81 Cb -0.15 -2.84 -0.01 0.00 -1.56 0.00 0.00 34.95 30.39 1m6o s ARG 81 CO 0.05 0.02 -0.18 0.08 -0.81 0.00 0.00 175.30 174.45 1m6o s VAL 82 N 0.89 1.50 -0.00 7.11 1.01 0.87 -1.11 120.40 130.67 1m6o s VAL 82 Ca -0.02 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.24 1m6o s VAL 82 Cb -0.15 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 1m6o s VAL 82 CO 0.01 0.43 -0.15 0.21 0.00 0.00 0.00 175.10 175.60 1m6o s ASN 83 N -0.09 1.73 0.07 3.32 3.04 -0.16 0.27 114.94 123.12 1m6o s ASN 83 Ca -0.01 -0.29 -0.16 0.00 0.04 0.00 0.00 52.86 52.44 1m6o s ASN 83 Cb -0.11 -0.18 0.03 0.00 -1.54 0.00 0.00 41.25 39.45 1m6o s ASN 83 CO 0.02 0.16 0.36 -2.28 -3.04 0.00 0.00 177.10 172.32 1m6o s HIS 84 N -0.41 -0.17 0.56 0.43 2.46 -1.26 -1.22 115.29 115.68 1m6o s HIS 84 Ca 0.05 -0.01 0.27 0.00 0.47 0.00 0.00 55.06 55.84 1m6o s HIS 84 Cb -0.06 0.18 1.48 0.00 -0.13 0.00 0.00 32.58 34.05 1m6o s HIS 84 CO -0.00 -0.60 1.99 -0.24 -2.47 0.00 0.00 174.74 173.42 1m6o h VAL 85 N 2.82 0.56 0.00 0.89 3.04 -1.96 0.15 116.25 121.76 1m6o h VAL 85 Ca -0.32 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 1m6o h VAL 85 Cb 1.22 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 31.22 1m6o h VAL 85 CO 0.46 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.37 1m6o n THR 86 N -4.05 0.30 -4.21 3.17 -2.24 -1.26 -4.74 114.28 101.26 1m6o n THR 86 Ca 0.08 0.07 -0.34 0.00 -2.27 0.00 0.00 64.05 61.58 1m6o n THR 86 Cb 0.57 -0.65 -0.11 0.00 -2.10 0.00 0.00 70.33 68.03 1m6o n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1m6o s LEU 87 N -3.05 3.49 0.26 3.22 1.43 0.53 -4.98 118.68 119.59 1m6o s LEU 87 Ca 0.12 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 1m6o s LEU 87 Cb 0.16 -1.86 0.34 0.00 0.03 0.00 0.00 46.19 44.86 1m6o s LEU 87 CO 0.45 0.16 1.65 0.77 0.23 0.00 0.00 176.35 179.61 1m6o h SER 88 N 6.77 0.41 -5.04 2.29 4.64 -1.85 -3.43 113.55 117.34 1m6o h SER 88 Ca -0.34 -0.18 -0.16 0.00 -0.47 0.00 0.00 61.79 60.65 1m6o h SER 88 Cb 1.18 -0.11 -0.19 0.00 -0.31 0.00 0.00 62.40 62.96 1m6o h SER 88 CO 0.66 0.78 -0.70 -1.10 -0.87 0.00 0.00 176.83 175.60 1m6o s GLN 89 N -4.18 0.40 0.31 4.77 -0.21 -1.26 -5.12 119.66 114.37 1m6o s GLN 89 Ca -0.06 -0.78 -0.29 0.00 0.02 0.00 0.00 55.36 54.25 1m6o s GLN 89 Cb 0.13 0.13 -0.13 0.00 1.00 0.00 0.00 33.01 34.14 1m6o s GLN 89 CO 0.80 -0.06 1.34 -2.30 -2.12 0.00 0.00 175.29 172.94 1m6o n PRO 90 N 1.18 2.15 -3.73 2.91 -0.02 -1.26 -4.92 135.00 131.31 1m6o n PRO 90 Ca -0.21 0.76 -0.35 0.00 -2.02 0.00 0.00 63.50 61.67 1m6o n PRO 90 Cb 0.57 -2.37 -0.08 0.00 -0.02 0.00 0.00 33.50 31.60 1m6o n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1m6o s LYS 91 N -1.42 4.15 -0.19 -0.52 2.20 0.14 -4.87 119.74 119.23 1m6o s LYS 91 Ca 0.59 -0.20 -0.04 0.00 -0.36 0.00 0.00 55.97 55.97 1m6o s LYS 91 Cb -0.58 -3.41 -0.02 0.00 -1.51 0.00 0.00 37.83 32.31 1m6o s LYS 91 CO 0.58 0.32 -0.04 0.42 -0.36 0.00 0.00 175.35 176.28 1m6o s ILE 92 N 0.29 3.58 -0.20 5.43 1.01 -1.26 -0.09 121.20 129.96 1m6o s ILE 92 Ca 0.09 -0.44 -0.03 0.00 0.00 0.00 0.00 60.65 60.27 1m6o s ILE 92 Cb -0.11 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.75 1m6o s ILE 92 CO -0.01 0.45 -0.06 -0.69 0.00 0.00 0.00 174.94 174.62 1m6o s VAL 93 N 1.04 3.35 0.26 2.92 1.01 0.54 -4.96 120.40 124.57 1m6o s VAL 93 Ca 0.01 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 1m6o s VAL 93 Cb -0.15 -2.50 -0.09 0.00 0.00 0.00 0.00 36.38 33.64 1m6o s VAL 93 CO 0.00 0.45 0.97 -0.75 0.00 0.00 0.00 175.10 175.77 1m6o s LYS 94 N 1.15 4.77 -0.05 2.72 2.47 -1.26 -0.62 119.74 128.91 1m6o s LYS 94 Ca 0.02 1.52 -0.30 0.00 -1.56 0.00 0.00 55.97 55.64 1m6o s LYS 94 Cb -0.14 -3.18 -0.02 0.00 -1.46 0.00 0.00 37.83 33.02 1m6o s LYS 94 CO -0.01 0.42 1.03 -0.46 0.16 0.00 0.00 175.35 176.49 1m6o s TRP 95 N -1.25 3.53 -0.24 4.03 -0.00 0.06 -4.87 118.94 120.19 1m6o s TRP 95 Ca 0.43 1.57 0.01 0.00 -0.00 0.00 0.00 56.10 58.11 1m6o s TRP 95 Cb -0.26 -3.20 0.06 0.00 -0.00 0.00 0.00 33.47 30.07 1m6o s TRP 95 CO 0.32 -0.33 -0.06 0.34 -0.00 0.00 0.00 176.95 177.22 1m6o s ASP 96 N 1.10 3.89 0.00 5.86 -1.08 -1.26 -4.79 116.67 120.40 1m6o s ASP 96 Ca 0.51 -1.19 0.00 0.00 -0.52 0.00 0.00 52.55 51.35 1m6o s ASP 96 Cb -0.21 -1.21 0.00 0.00 -1.46 0.00 0.00 42.92 40.05 1m6o s ASP 96 CO 0.23 -0.23 0.59 -2.11 0.52 0.00 0.00 175.17 174.17 1m6o n ARG 97 N 4.65 0.00 -0.60 4.34 1.85 -1.26 -0.18 116.66 125.46 1m6o n ARG 97 Ca -0.12 0.16 0.02 0.00 -1.00 0.00 0.00 57.85 56.91 1m6o n ARG 97 Cb 0.44 -1.55 0.23 0.00 -1.05 0.00 0.00 32.46 30.52 1m6o n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1m6o n ASP 98 N -1.09 3.18 0.00 2.89 8.00 -1.26 -4.83 116.55 123.44 1m6o n ASP 98 Ca 0.00 -3.37 0.00 0.00 0.71 0.00 0.00 54.79 52.13 1m6o n ASP 98 Cb 0.05 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 1m6o n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04