#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h5m n SER 2 N 0.00 4.88 -4.46 7.83 7.64 -1.26 -4.92 113.62 123.34 2h5m n SER 2 Ca 0.00 -2.94 -0.30 0.00 1.01 0.00 0.00 58.87 56.64 2h5m n SER 2 Cb 0.00 -1.67 -0.08 0.00 -1.01 0.00 0.00 64.21 61.45 2h5m n SER 2 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2h5m s ASN 3 N 3.50 3.57 -1.49 6.43 3.84 -1.26 -4.80 114.94 124.73 2h5m s ASN 3 Ca 0.49 -1.69 -0.06 0.00 0.21 0.00 0.00 52.86 51.81 2h5m s ASN 3 Cb 0.04 0.57 0.01 0.00 -0.55 0.00 0.00 41.25 41.32 2h5m s ASN 3 CO 0.03 -0.92 0.78 0.18 -2.79 0.00 0.00 177.10 174.38 2h5m n LEU 4 N -1.13 -2.90 -4.93 3.21 4.32 -1.26 -4.99 117.00 109.32 2h5m n LEU 4 Ca -0.14 -0.36 -0.25 0.00 -0.02 0.00 0.00 56.01 55.24 2h5m n LEU 4 Cb 0.66 -2.98 0.02 0.00 -1.62 0.00 0.00 43.42 39.49 2h5m n LEU 4 CO 0.36 0.36 0.39 -1.61 -1.22 0.00 0.00 177.39 175.67 2h5m s GLU 5 N -5.87 3.08 -0.54 3.23 2.02 -1.26 -4.98 118.70 114.37 2h5m s GLU 5 Ca 0.39 -0.23 -0.27 0.00 0.02 0.00 0.00 54.97 54.88 2h5m s GLU 5 Cb -0.17 -2.44 -0.03 0.00 0.10 0.00 0.00 34.13 31.60 2h5m s GLU 5 CO 0.48 -0.41 1.90 0.42 0.02 0.00 0.00 175.26 177.67 2h5m s ILE 6 N -2.73 3.35 -0.02 -1.63 1.01 -1.26 -4.68 121.20 115.24 2h5m s ILE 6 Ca 0.50 0.25 -0.23 0.00 0.00 0.00 0.00 60.65 61.16 2h5m s ILE 6 Cb -0.10 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.54 2h5m s ILE 6 CO 0.41 -0.71 0.70 -0.54 0.00 0.00 0.00 174.94 174.81 2h5m s LYS 7 N 6.86 4.43 0.05 2.79 1.02 -0.68 -4.92 119.74 129.29 2h5m s LYS 7 Ca 0.73 0.91 -0.22 0.00 0.02 0.00 0.00 55.97 57.41 2h5m s LYS 7 Cb -0.15 -3.40 -0.06 0.00 -0.52 0.00 0.00 37.83 33.70 2h5m s LYS 7 CO 0.24 0.19 0.65 1.14 -0.92 0.00 0.00 175.35 176.66 2h5m s GLN 8 N 0.33 4.36 0.00 1.68 -2.07 -1.26 -0.74 119.66 121.95 2h5m s GLN 8 Ca 0.37 0.87 0.00 0.00 -1.82 0.00 0.00 55.36 54.77 2h5m s GLN 8 Cb -0.19 -3.31 0.00 0.00 -1.09 0.00 0.00 33.01 28.43 2h5m s GLN 8 CO 0.20 0.46 0.00 0.41 -1.32 0.00 0.00 175.29 175.03 2h5m n GLY 9 N 2.11 4.86 3.55 2.60 0.00 0.11 -4.93 105.19 113.49 2h5m n GLY 9 Ca -0.07 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 2h5m n GLY 9 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2h5m s GLU 10 N -1.16 2.25 -1.47 1.61 -1.05 -1.26 -2.77 118.70 114.86 2h5m s GLU 10 Ca 0.00 0.79 -0.07 0.00 -0.15 0.00 0.00 54.97 55.54 2h5m s GLU 10 Cb 0.00 -4.61 0.03 0.00 -0.44 0.00 0.00 34.13 29.11 2h5m s GLU 10 CO 0.00 -3.29 0.66 0.09 0.95 0.00 0.00 175.26 173.67 2h5m n ASN 11 N 15.06 -5.40 -3.57 0.83 4.13 -1.26 -4.93 115.26 120.12 2h5m n ASN 11 Ca 0.33 -0.38 -0.06 0.00 1.68 0.00 0.00 54.58 56.16 2h5m n ASN 11 Cb 0.51 -4.37 -0.00 0.00 -1.54 0.00 0.00 39.78 34.38 2h5m n ASN 11 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 2h5m s LYS 12 N -5.92 1.64 -0.02 3.52 -2.85 -1.11 -2.57 119.74 112.43 2h5m s LYS 12 Ca 0.39 -0.97 0.04 0.00 -1.00 0.00 0.00 55.97 54.43 2h5m s LYS 12 Cb -0.18 0.52 -0.01 0.00 -2.06 0.00 0.00 37.83 36.10 2h5m s LYS 12 CO 0.48 -0.76 -0.14 -0.06 0.10 0.00 0.00 175.35 174.97 2h5m s PHE 13 N -3.16 1.31 0.05 1.78 0.08 -0.73 0.09 117.98 117.40 2h5m s PHE 13 Ca 0.14 -0.29 -0.17 0.00 0.12 0.00 0.00 56.93 56.73 2h5m s PHE 13 Cb -0.04 -0.87 0.03 0.00 -0.57 0.00 0.00 43.02 41.58 2h5m s PHE 13 CO 0.06 -0.06 0.38 1.52 -0.10 0.00 0.00 175.22 177.02 2h5m s TYR 14 N -0.18 -0.22 -0.03 0.36 1.13 0.08 -1.05 117.35 117.44 2h5m s TYR 14 Ca 0.02 0.14 0.04 0.00 -1.41 0.00 0.00 57.07 55.86 2h5m s TYR 14 Cb -0.07 0.18 -0.00 0.00 -1.10 0.00 0.00 41.96 40.97 2h5m s TYR 14 CO 0.00 -0.56 -0.16 0.42 -2.51 0.00 0.00 175.55 172.75 2h5m s ILE 15 N -2.55 1.31 0.00 -3.49 1.01 -0.51 -1.69 121.20 115.28 2h5m s ILE 15 Ca -0.05 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 59.93 2h5m s ILE 15 Cb -0.01 -1.12 0.00 0.00 0.01 0.00 0.00 42.46 41.34 2h5m s ILE 15 CO -0.03 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.90 2h5m n GLY 16 N 3.04 3.11 0.53 6.18 0.00 -1.26 -0.12 105.19 116.66 2h5m n GLY 16 Ca -0.17 -1.60 -0.21 0.00 0.00 0.00 0.00 46.02 44.04 2h5m n GLY 16 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2h5m h ASP 17 N 0.00 -1.13 -3.30 1.61 3.58 -1.98 -3.46 116.42 111.74 2h5m h ASP 17 Ca 0.00 0.04 -0.44 0.00 0.42 0.00 0.00 57.03 57.05 2h5m h ASP 17 Cb 0.00 0.29 -0.14 0.00 1.72 0.00 0.00 39.33 41.20 2h5m h ASP 17 CO 0.00 -0.81 -0.70 -0.62 -2.88 0.00 0.00 179.24 174.23 2h5m s ASP 18 N -4.02 2.43 0.24 2.28 2.15 -1.26 -5.03 116.67 113.46 2h5m s ASP 18 Ca -0.20 -1.12 -0.06 0.00 0.43 0.00 0.00 52.55 51.60 2h5m s ASP 18 Cb 0.02 -0.11 0.25 0.00 -0.30 0.00 0.00 42.92 42.78 2h5m s ASP 18 CO 0.60 -0.31 1.90 -0.33 -0.17 0.00 0.00 175.17 176.85 2h5m h GLU 19 N 2.46 1.28 -0.14 4.34 5.08 -1.97 0.16 114.58 125.79 2h5m h GLU 19 Ca -0.39 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 57.80 2h5m h GLU 19 Cb 1.22 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2h5m h GLU 19 CO 0.65 0.89 -0.17 -0.97 -1.00 0.00 0.00 179.01 178.40 2h5m h ASN 20 N 1.30 0.22 -0.38 1.42 -0.73 -2.00 -2.55 115.58 112.86 2h5m h ASN 20 Ca 0.34 -0.05 -0.16 0.00 1.87 0.00 0.00 56.30 58.30 2h5m h ASN 20 Cb -0.06 -0.06 -0.10 0.00 0.27 0.00 0.00 38.32 38.37 2h5m h ASN 20 CO -0.06 0.41 0.00 -3.20 -0.37 0.00 0.00 177.43 174.21 2h5m n ASN 21 N -4.24 2.93 -4.72 1.15 2.85 -0.84 -5.02 115.26 107.38 2h5m n ASN 21 Ca -0.01 -3.57 -0.42 0.00 -0.11 0.00 0.00 54.58 50.47 2h5m n ASN 21 Cb 0.30 -0.63 -0.03 0.00 1.24 0.00 0.00 39.78 40.66 2h5m n ASN 21 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2h5m s ALA 22 N -3.15 3.79 0.20 5.20 0.00 0.49 -4.43 121.76 123.86 2h5m s ALA 22 Ca 0.45 1.38 -0.10 0.00 0.00 0.00 0.00 51.96 53.69 2h5m s ALA 22 Cb 0.40 -3.63 0.14 0.00 0.00 0.00 0.00 23.12 20.03 2h5m s ALA 22 CO 0.03 -0.80 1.82 -0.07 0.00 0.00 0.00 175.76 176.74 2h5m h LEU 23 N 6.85 0.90 -7.04 0.00 3.38 -0.81 -3.42 115.31 115.18 2h5m h LEU 23 Ca -0.43 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.40 2h5m h LEU 23 Cb 1.20 -0.23 -0.20 0.00 0.09 0.00 0.00 40.66 41.52 2h5m h LEU 23 CO 0.92 0.73 0.12 0.00 0.09 0.00 0.00 178.44 180.30 2h5m s ALA 24 N -5.88 -1.68 -0.03 1.53 0.00 -1.16 0.40 121.76 114.93 2h5m s ALA 24 Ca -0.13 1.53 -0.09 0.00 0.00 0.00 0.00 51.96 53.27 2h5m s ALA 24 Cb 0.15 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.80 2h5m s ALA 24 CO 0.79 -0.34 0.20 -1.83 0.00 0.00 0.00 175.76 174.58 2h5m s GLU 25 N -0.53 0.43 -0.03 0.00 -1.05 -0.35 -1.42 118.70 115.75 2h5m s GLU 25 Ca -0.06 -0.10 0.02 0.00 -0.15 0.00 0.00 54.97 54.68 2h5m s GLU 25 Cb -0.02 0.19 0.01 0.00 -0.44 0.00 0.00 34.13 33.87 2h5m s GLU 25 CO 0.06 -0.10 -0.06 -1.50 0.95 0.00 0.00 175.26 174.61 2h5m s ILE 26 N -0.81 0.63 -0.05 1.83 2.07 -0.22 -1.98 121.20 122.67 2h5m s ILE 26 Ca -0.09 -0.23 0.02 0.00 -1.41 0.00 0.00 60.65 58.94 2h5m s ILE 26 Cb -0.05 -0.60 -0.03 0.00 0.13 0.00 0.00 42.46 41.91 2h5m s ILE 26 CO 0.02 0.22 -0.08 0.42 -1.91 0.00 0.00 174.94 173.61 2h5m s THR 27 N 0.51 3.58 0.04 4.00 -4.23 -1.00 -1.78 115.64 116.77 2h5m s THR 27 Ca -0.07 -0.58 0.02 0.00 -1.18 0.00 0.00 61.69 59.87 2h5m s THR 27 Cb -0.11 -2.47 -0.02 0.00 1.34 0.00 0.00 72.50 71.23 2h5m s THR 27 CO 0.00 0.55 -0.07 -0.72 -0.54 0.00 0.00 174.62 173.85 2h5m s TYR 28 N -0.84 0.64 0.08 3.99 1.13 -1.06 -0.94 117.35 120.35 2h5m s TYR 28 Ca 0.13 -0.53 -0.03 0.00 -1.41 0.00 0.00 57.07 55.23 2h5m s TYR 28 Cb -0.11 -0.39 -0.03 0.00 -1.10 0.00 0.00 41.96 40.34 2h5m s TYR 28 CO 0.02 -0.10 0.05 0.50 -2.51 0.00 0.00 175.55 173.52 2h5m s ARG 29 N -1.69 0.74 -0.45 -3.49 6.06 -0.02 -4.73 118.95 115.36 2h5m s ARG 29 Ca -0.09 -1.18 -0.21 0.00 -2.50 0.00 0.00 55.73 51.74 2h5m s ARG 29 Cb -0.09 0.26 0.03 0.00 0.06 0.00 0.00 34.95 35.20 2h5m s ARG 29 CO -0.00 -0.18 0.68 -0.06 -2.50 0.00 0.00 175.30 173.23 2h5m s PHE 30 N -3.92 3.04 -0.03 5.12 0.40 -1.26 -0.24 117.98 121.09 2h5m s PHE 30 Ca 0.09 -0.07 0.17 0.00 -0.60 0.00 0.00 56.93 56.53 2h5m s PHE 30 Cb 0.07 -3.45 0.36 0.00 0.51 0.00 0.00 43.02 40.51 2h5m s PHE 30 CO -0.08 -0.93 1.58 -0.39 0.70 0.00 0.00 175.22 176.10 2h5m h VAL 31 N 5.90 0.81 0.00 -0.44 -1.51 -1.77 -3.45 116.25 115.79 2h5m h VAL 31 Ca -0.25 -1.86 0.00 0.00 -1.23 0.00 0.00 66.70 63.36 2h5m h VAL 31 Cb 1.09 2.19 0.00 0.00 -2.13 0.00 0.00 31.29 32.44 2h5m h VAL 31 CO 0.92 0.41 0.00 -0.67 -1.23 0.00 0.00 177.57 177.00 2h5m n ASP 32 N -3.32 0.00 0.16 4.19 2.03 -1.25 -5.06 116.55 113.29 2h5m n ASP 32 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2h5m n ASP 32 Cb 0.63 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.03 2h5m n ASP 32 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2h5m n ASN 33 N -1.09 -2.74 -1.84 1.67 2.85 -1.26 -4.91 115.26 107.94 2h5m n ASN 33 Ca 0.00 0.60 0.07 0.00 -0.11 0.00 0.00 54.58 55.15 2h5m n ASN 33 Cb 0.00 2.71 0.40 0.00 1.24 0.00 0.00 39.78 44.12 2h5m n ASN 33 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2h5m n ASN 34 N -3.14 5.55 -3.91 1.20 5.15 -1.26 -4.86 115.26 113.98 2h5m n ASN 34 Ca 0.00 -2.84 -0.23 0.00 -0.60 0.00 0.00 54.58 50.91 2h5m n ASN 34 Cb 0.00 -0.67 -0.17 0.00 -0.53 0.00 0.00 39.78 38.41 2h5m n ASN 34 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2h5m s GLU 35 N -2.59 1.18 -0.07 1.20 2.02 -1.26 -0.50 118.70 118.68 2h5m s GLU 35 Ca 0.54 -0.19 0.05 0.00 0.02 0.00 0.00 54.97 55.39 2h5m s GLU 35 Cb 0.40 -1.17 -0.01 0.00 0.10 0.00 0.00 34.13 33.46 2h5m s GLU 35 CO 0.17 -0.12 -0.24 0.96 0.02 0.00 0.00 175.26 176.05 2h5m s ILE 36 N 1.15 2.03 -0.01 -1.63 -4.36 -0.50 -1.98 121.20 115.91 2h5m s ILE 36 Ca -0.07 -1.04 0.01 0.00 -0.26 0.00 0.00 60.65 59.30 2h5m s ILE 36 Cb -0.14 -1.73 -0.04 0.00 1.25 0.00 0.00 42.46 41.80 2h5m s ILE 36 CO -0.01 0.56 -0.01 0.54 0.24 0.00 0.00 174.94 176.26 2h5m s ASN 37 N 0.01 5.08 -0.60 4.36 4.22 0.67 -2.17 114.94 126.51 2h5m s ASN 37 Ca -0.09 -0.01 -0.21 0.00 -2.14 0.00 0.00 52.86 50.42 2h5m s ASN 37 Cb -0.15 -1.32 0.08 0.00 1.28 0.00 0.00 41.25 41.14 2h5m s ASN 37 CO 0.05 0.29 0.81 -0.63 -2.04 0.00 0.00 177.10 175.59 2h5m s ILE 38 N -1.05 4.60 0.06 0.54 1.01 0.10 -0.84 121.20 125.62 2h5m s ILE 38 Ca 0.19 -0.58 -0.25 0.00 0.00 0.00 0.00 60.65 60.01 2h5m s ILE 38 Cb -0.11 -4.54 -0.12 0.00 0.01 0.00 0.00 42.46 37.69 2h5m s ILE 38 CO 0.09 -1.21 1.38 0.44 0.00 0.00 0.00 174.94 175.64 2h5m h ASP 39 N 9.32 -0.93 -5.29 3.58 3.32 -1.37 0.98 116.42 126.03 2h5m h ASP 39 Ca -0.29 0.07 -0.12 0.00 0.02 0.00 0.00 57.03 56.71 2h5m h ASP 39 Cb 1.08 0.30 -0.13 0.00 0.22 0.00 0.00 39.33 40.80 2h5m h ASP 39 CO 1.11 -0.47 -0.43 -1.38 -1.72 0.00 0.00 179.24 176.35 2h5m s HIS 40 N -4.94 0.49 -0.09 4.55 -3.43 -1.26 -3.92 115.29 106.69 2h5m s HIS 40 Ca -0.12 -0.88 -0.03 0.00 -0.80 0.00 0.00 55.06 53.23 2h5m s HIS 40 Cb 0.03 -0.19 0.05 0.00 -1.43 0.00 0.00 32.58 31.04 2h5m s HIS 40 CO 0.41 -0.62 0.13 0.99 -2.00 0.00 0.00 174.74 173.65 2h5m s THR 41 N -3.97 -0.21 -0.04 -5.38 2.01 -1.26 -2.36 115.64 104.42 2h5m s THR 41 Ca 0.17 0.28 0.04 0.00 0.31 0.00 0.00 61.69 62.48 2h5m s THR 41 Cb 0.05 -0.32 -0.00 0.00 0.01 0.00 0.00 72.50 72.23 2h5m s THR 41 CO -0.02 0.08 -0.15 -0.83 -0.69 0.00 0.00 174.62 173.01 2h5m s GLY 42 N 2.25 0.83 0.01 4.40 0.00 -0.84 -4.90 107.32 109.08 2h5m s GLY 42 Ca 0.04 -0.60 0.03 0.00 0.00 0.00 0.00 44.72 44.19 2h5m s GLY 42 CO -0.06 -0.28 -0.10 0.14 0.00 0.00 0.00 173.10 172.79 2h5m s VAL 43 N 0.08 0.79 -0.01 1.40 1.01 -1.26 -1.21 120.40 121.21 2h5m s VAL 43 Ca -0.04 -0.64 -0.26 0.00 0.00 0.00 0.00 61.98 61.04 2h5m s VAL 43 Cb -0.11 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 2h5m s VAL 43 CO 0.02 0.07 0.83 -0.44 0.00 0.00 0.00 175.10 175.58 2h5m s SER 44 N -0.64 7.20 0.12 3.32 0.01 0.16 -4.93 113.70 118.93 2h5m s SER 44 Ca 0.01 1.44 0.27 0.00 1.31 0.00 0.00 55.95 58.98 2h5m s SER 44 Cb -0.05 -2.49 0.99 0.00 0.21 0.00 0.00 66.02 64.68 2h5m s SER 44 CO 0.00 -0.14 1.83 -0.67 0.41 0.00 0.00 173.24 174.67 2h5m n ASP 45 N 3.60 0.44 -3.39 2.44 2.03 -1.26 -2.94 116.55 117.48 2h5m n ASP 45 Ca 0.01 0.54 -0.36 0.00 0.52 0.00 0.00 54.79 55.51 2h5m n ASP 45 Cb 0.51 -0.66 -0.02 0.00 -0.72 0.00 0.00 41.12 40.22 2h5m n ASP 45 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2h5m n GLU 46 N -1.91 2.99 -3.79 -0.67 -0.58 -1.26 -4.44 120.64 110.98 2h5m n GLU 46 Ca 0.06 -2.08 -0.27 0.00 -0.42 0.00 0.00 57.16 54.45 2h5m n GLU 46 Cb 0.38 -2.83 0.04 0.00 -0.57 0.00 0.00 31.44 28.46 2h5m n GLU 46 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2h5m n LEU 47 N 4.53 -2.91 -0.83 -4.62 4.32 -1.26 -4.88 117.00 111.35 2h5m n LEU 47 Ca 0.63 -0.72 0.04 0.00 -0.02 0.00 0.00 56.01 55.95 2h5m n LEU 47 Cb 0.25 -2.71 0.08 0.00 -1.62 0.00 0.00 43.42 39.42 2h5m n LEU 47 CO 0.85 0.50 0.25 0.61 -1.22 0.00 0.00 177.39 178.38 2h5m n GLY 48 N -1.72 2.42 0.03 -0.72 0.00 -1.15 -4.74 105.19 99.30 2h5m n GLY 48 Ca -0.04 -0.79 0.01 0.00 0.00 0.00 0.00 46.02 45.20 2h5m n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h5m n GLY 49 N -0.29 0.83 3.57 -0.02 0.00 -1.20 -4.25 105.19 103.83 2h5m n GLY 49 Ca 0.09 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2h5m n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2h5m s GLN 50 N -0.73 3.22 0.00 1.61 1.11 -1.26 -3.83 119.66 119.77 2h5m s GLN 50 Ca 0.03 -1.28 0.00 0.00 0.01 0.00 0.00 55.36 54.12 2h5m s GLN 50 Cb 0.02 -5.33 0.00 0.00 -1.01 0.00 0.00 33.01 26.69 2h5m s GLN 50 CO 0.00 -2.95 0.00 0.41 0.01 0.00 0.00 175.29 172.76 2h5m n GLY 51 N 6.08 2.25 0.15 3.09 0.00 -1.26 -4.87 105.19 110.63 2h5m n GLY 51 Ca 0.43 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.31 2h5m n GLY 51 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2h5m h VAL 52 N 0.00 0.81 0.00 1.61 2.07 -1.85 -1.21 116.25 117.68 2h5m h VAL 52 Ca 0.00 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 2h5m h VAL 52 Cb 0.00 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2h5m h VAL 52 CO 0.00 0.03 -0.15 1.23 0.02 0.00 0.00 177.57 178.70 2h5m h GLY 53 N -0.35 0.00 2.00 2.17 0.00 -1.86 -1.79 103.07 103.25 2h5m h GLY 53 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.16 2h5m h GLY 53 CO 0.05 0.00 -0.66 0.50 0.00 0.00 0.00 176.54 176.43 2h5m h LYS 54 N 0.00 0.00 -0.37 4.80 1.57 -1.82 -2.81 116.57 117.94 2h5m h LYS 54 Ca -0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2h5m h LYS 54 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2h5m h LYS 54 CO 0.02 0.66 -0.23 0.87 -0.57 0.00 0.00 179.45 180.21 2h5m h LYS 55 N 0.00 0.73 -0.12 3.15 1.57 -0.34 -2.02 116.57 119.55 2h5m h LYS 55 Ca -0.01 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 2h5m h LYS 55 Cb 1.19 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 2h5m h LYS 55 CO 0.09 0.89 0.04 -0.07 -0.57 0.00 0.00 179.45 179.83 2h5m h LEU 56 N 0.64 0.17 -1.42 2.94 3.38 -1.34 -2.67 115.31 117.01 2h5m h LEU 56 Ca 0.09 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.87 2h5m h LEU 56 Cb 0.72 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 2h5m h LEU 56 CO 0.06 0.32 0.39 -0.07 0.09 0.00 0.00 178.44 179.23 2h5m h LEU 57 N 0.01 0.68 -0.30 1.67 4.07 -1.41 -1.93 115.31 118.10 2h5m h LEU 57 Ca 0.04 -0.02 0.01 0.00 0.08 0.00 0.00 57.88 57.99 2h5m h LEU 57 Cb 0.21 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.76 2h5m h LEU 57 CO -0.00 0.49 0.17 0.50 -1.08 0.00 0.00 178.44 178.52 2h5m h LYS 58 N 0.80 0.34 -0.69 1.13 3.64 -1.09 0.16 116.57 120.87 2h5m h LYS 58 Ca 0.22 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.51 2h5m h LYS 58 Cb -0.09 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 2h5m h LYS 58 CO -0.05 0.23 0.15 0.00 -2.27 0.00 0.00 179.45 177.52 2h5m h ALA 59 N 1.14 0.96 0.18 5.00 0.00 -1.09 0.14 119.26 125.59 2h5m h ALA 59 Ca 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2h5m h ALA 59 Cb 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2h5m h ALA 59 CO -0.06 0.66 -0.09 0.28 0.00 0.00 0.00 179.25 180.05 2h5m h VAL 60 N 1.05 0.89 -0.67 0.00 2.07 -0.97 -1.55 116.25 117.07 2h5m h VAL 60 Ca 0.22 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 2h5m h VAL 60 Cb 0.39 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2h5m h VAL 60 CO 0.00 0.07 0.26 0.58 0.02 0.00 0.00 177.57 178.51 2h5m h VAL 61 N -0.40 1.23 -0.18 2.57 2.07 -0.89 -1.59 116.25 119.06 2h5m h VAL 61 Ca -0.02 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 66.77 2h5m h VAL 61 Cb 0.31 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2h5m h VAL 61 CO 0.04 0.30 0.09 -0.33 0.02 0.00 0.00 177.57 177.68 2h5m h GLU 62 N 0.96 0.19 -0.22 1.57 5.08 -0.81 0.07 114.58 121.42 2h5m h GLU 62 Ca 0.22 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 2h5m h GLU 62 Cb 0.20 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2h5m h GLU 62 CO -0.02 0.12 -0.05 1.25 -1.00 0.00 0.00 179.01 179.32 2h5m h HIS 63 N 0.19 0.34 0.00 4.33 2.76 -0.96 -0.80 115.15 121.01 2h5m h HIS 63 Ca 0.07 -0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.13 2h5m h HIS 63 Cb 0.02 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 2h5m h HIS 63 CO -0.09 0.39 -0.40 0.00 -1.30 0.00 0.00 177.93 176.53 2h5m h ALA 64 N 1.64 1.27 -0.01 5.26 0.00 -0.43 -0.03 119.26 126.95 2h5m h ALA 64 Ca 0.07 -0.36 -0.22 0.00 0.00 0.00 0.00 54.91 54.40 2h5m h ALA 64 Cb 0.30 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2h5m h ALA 64 CO 0.01 0.50 -0.90 0.00 0.00 0.00 0.00 179.25 178.87 2h5m h ARG 65 N 0.00 0.39 -0.03 0.00 2.47 0.36 0.18 114.38 117.74 2h5m h ARG 65 Ca -0.00 -0.40 -0.03 0.00 -1.26 0.00 0.00 59.98 58.29 2h5m h ARG 65 Cb 0.74 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.17 2h5m h ARG 65 CO 0.05 1.07 -0.09 0.93 0.56 0.00 0.00 179.97 182.49 2h5m h GLU 66 N 0.23 0.11 -0.02 0.04 5.08 -0.88 -3.28 114.58 115.86 2h5m h GLU 66 Ca -0.07 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2h5m h GLU 66 Cb 1.52 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.79 2h5m h GLU 66 CO 0.15 0.70 -0.08 0.09 -1.00 0.00 0.00 179.01 178.87 2h5m n ASN 67 N -4.68 1.68 -3.22 1.42 5.03 -0.06 -4.94 115.26 110.49 2h5m n ASN 67 Ca -0.08 -1.45 -0.22 0.00 0.87 0.00 0.00 54.58 53.69 2h5m n ASN 67 Cb 0.36 0.06 0.06 0.00 -1.02 0.00 0.00 39.78 39.24 2h5m n ASN 67 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2h5m n ASN 68 N 0.18 -6.10 -4.89 6.41 3.02 0.41 -4.99 115.26 109.31 2h5m n ASN 68 Ca 0.16 -0.41 -0.29 0.00 -0.03 0.00 0.00 54.58 54.00 2h5m n ASN 68 Cb 0.40 -4.80 0.02 0.00 -0.61 0.00 0.00 39.78 34.79 2h5m n ASN 68 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2h5m s LEU 69 N -6.76 3.28 -0.07 3.41 1.43 0.06 -4.98 118.68 115.05 2h5m s LEU 69 Ca 0.45 1.17 -0.11 0.00 -1.03 0.00 0.00 54.13 54.61 2h5m s LEU 69 Cb -0.20 -4.12 -0.05 0.00 0.03 0.00 0.00 46.19 41.85 2h5m s LEU 69 CO 0.56 -0.89 0.26 -0.54 0.23 0.00 0.00 176.35 175.97 2h5m s LYS 70 N -5.07 3.70 -0.23 1.70 1.02 0.35 -4.79 119.74 116.41 2h5m s LYS 70 Ca 0.53 0.11 -0.07 0.00 0.02 0.00 0.00 55.97 56.57 2h5m s LYS 70 Cb -0.11 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 33.95 2h5m s LYS 70 CO 0.50 0.71 0.06 0.42 -0.92 0.00 0.00 175.35 176.12 2h5m s ILE 71 N -0.95 4.31 -0.02 2.17 -1.09 -0.16 -1.41 121.20 124.05 2h5m s ILE 71 Ca 0.19 -0.18 0.02 0.00 -2.23 0.00 0.00 60.65 58.45 2h5m s ILE 71 Cb -0.14 -2.99 0.00 0.00 -1.58 0.00 0.00 42.46 37.75 2h5m s ILE 71 CO 0.08 0.37 -0.08 0.27 -1.23 0.00 0.00 174.94 174.35 2h5m s ILE 72 N 1.33 0.71 -0.12 2.92 -4.36 -0.92 -1.14 121.20 119.62 2h5m s ILE 72 Ca 0.05 -0.34 -0.01 0.00 -0.26 0.00 0.00 60.65 60.09 2h5m s ILE 72 Cb -0.15 -0.62 -0.02 0.00 1.25 0.00 0.00 42.46 42.92 2h5m s ILE 72 CO 0.03 0.22 -0.10 0.00 0.24 0.00 0.00 174.94 175.33 2h5m s ALA 73 N 0.08 2.78 -2.67 2.27 0.00 -1.26 0.01 121.76 122.97 2h5m s ALA 73 Ca -0.01 -0.87 0.21 0.00 0.00 0.00 0.00 51.96 51.29 2h5m s ALA 73 Cb -0.07 -1.30 0.17 0.00 0.00 0.00 0.00 23.12 21.92 2h5m s ALA 73 CO 0.00 0.31 1.18 0.43 0.00 0.00 0.00 175.76 177.67 2h5m n SER 74 N 3.26 2.77 -4.53 0.00 7.64 0.33 -4.85 113.62 118.24 2h5m n SER 74 Ca -0.18 -1.89 -0.34 0.00 1.01 0.00 0.00 58.87 57.48 2h5m n SER 74 Cb 0.53 0.01 -0.12 0.00 -1.01 0.00 0.00 64.21 63.62 2h5m n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2h5m h SER 76 N 5.66 0.59 0.38 0.00 0.02 -1.94 -0.77 113.55 117.49 2h5m h SER 76 Ca -0.43 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.50 2h5m h SER 76 Cb 1.18 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2h5m h SER 76 CO 0.54 0.42 -0.18 0.15 -1.14 0.00 0.00 176.83 176.62 2h5m h PHE 77 N 0.70 -0.48 -0.91 3.45 3.57 -1.96 -1.12 116.94 120.21 2h5m h PHE 77 Ca 0.21 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.74 2h5m h PHE 77 Cb -0.03 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 2h5m h PHE 77 CO -0.05 -0.28 0.59 0.00 -2.23 0.00 0.00 178.31 176.34 2h5m h ALA 78 N 0.07 1.20 -0.35 2.41 0.00 -1.88 -1.28 119.26 119.43 2h5m h ALA 78 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2h5m h ALA 78 Cb 0.41 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2h5m h ALA 78 CO 0.09 0.44 0.22 -0.22 0.00 0.00 0.00 179.25 179.78 2h5m h LYS 79 N 1.13 0.47 -0.84 0.00 3.64 -0.94 0.64 116.57 120.67 2h5m h LYS 79 Ca 0.36 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.72 2h5m h LYS 79 Cb 0.02 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 2h5m h LYS 79 CO -0.12 0.33 0.55 1.25 -2.27 0.00 0.00 179.45 179.19 2h5m h HIS 80 N 0.46 1.05 -0.41 1.91 2.76 -0.61 0.12 115.15 120.43 2h5m h HIS 80 Ca 0.13 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.27 2h5m h HIS 80 Cb -0.02 -0.35 -0.02 0.00 1.55 0.00 0.00 27.41 28.57 2h5m h HIS 80 CO -0.05 0.65 0.04 0.52 -1.30 0.00 0.00 177.93 177.79 2h5m h MET 81 N 1.12 0.69 -0.09 5.26 2.86 -0.72 0.48 114.93 124.54 2h5m h MET 81 Ca 0.32 -0.20 -0.10 0.00 -2.06 0.00 0.00 59.70 57.66 2h5m h MET 81 Cb -0.10 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.48 2h5m h MET 81 CO -0.08 0.75 -0.39 -0.07 1.06 0.00 0.00 176.91 178.18 2h5m h LEU 82 N 0.54 0.19 -0.29 1.22 3.38 -0.47 -0.88 115.31 118.99 2h5m h LEU 82 Ca 0.12 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 2h5m h LEU 82 Cb 0.41 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2h5m h LEU 82 CO 0.01 0.57 -0.49 -0.33 0.09 0.00 0.00 178.44 178.29 2h5m h GLU 83 N 0.16 0.00 0.06 1.13 5.08 -0.53 -3.30 114.58 117.18 2h5m h GLU 83 Ca 0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2h5m h GLU 83 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2h5m h GLU 83 CO 0.06 0.49 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.31 2h5m h LYS 84 N 0.00 -0.08 -5.82 2.33 3.64 -0.38 -3.42 116.57 112.84 2h5m h LYS 84 Ca -0.00 0.01 -0.62 0.00 -1.27 0.00 0.00 60.65 58.76 2h5m h LYS 84 Cb 1.26 0.02 -0.13 0.00 -0.41 0.00 0.00 32.23 32.97 2h5m h LYS 84 CO 0.06 0.51 0.44 -2.00 -2.27 0.00 0.00 179.45 176.20 2h5m s GLU 85 N -2.94 3.38 0.52 1.90 2.56 -0.38 -4.90 118.70 118.84 2h5m s GLU 85 Ca -0.14 -0.16 0.23 0.00 0.00 0.00 0.00 54.97 54.90 2h5m s GLU 85 Cb -0.01 -3.98 1.41 0.00 2.00 0.00 0.00 34.13 33.54 2h5m s GLU 85 CO 0.53 -1.26 2.10 0.22 -0.56 0.00 0.00 175.26 176.29 2h5m h ASP 86 N 9.11 0.00 -0.78 -1.70 3.58 -1.82 -1.74 116.42 123.07 2h5m h ASP 86 Ca -0.25 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.19 2h5m h ASP 86 Cb 1.08 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.09 2h5m h ASP 86 CO 1.01 0.10 0.45 0.28 -2.88 0.00 0.00 179.24 178.20 2h5m h SER 87 N 0.00 0.96 1.06 2.28 0.02 -1.90 -1.76 113.55 114.21 2h5m h SER 87 Ca -0.00 -0.07 -0.20 0.00 -0.84 0.00 0.00 61.79 60.69 2h5m h SER 87 Cb 0.22 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 2h5m h SER 87 CO 0.01 0.76 -0.95 1.88 -1.14 0.00 0.00 176.83 177.39 2h5m h TYR 88 N 1.09 0.00 0.00 3.45 0.05 -1.63 -3.18 116.97 116.76 2h5m h TYR 88 Ca 0.28 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.06 2h5m h TYR 88 Cb -0.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.73 2h5m h TYR 88 CO 0.01 0.91 0.00 0.94 -1.05 0.00 0.00 178.16 178.97 2h5m n GLN 89 N -3.31 0.02 -0.20 4.88 7.27 -0.71 -1.17 117.38 124.15 2h5m n GLN 89 Ca -0.01 0.28 -0.10 0.00 0.07 0.00 0.00 57.00 57.25 2h5m n GLN 89 Cb 0.91 -1.50 0.02 0.00 2.41 0.00 0.00 30.24 32.08 2h5m n GLN 89 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 2h5m h ASP 90 N 0.00 1.05 0.00 1.69 3.32 -1.40 -3.23 116.42 117.84 2h5m h ASP 90 Ca 0.00 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.73 2h5m h ASP 90 Cb 0.20 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.47 2h5m h ASP 90 CO 0.00 1.12 -1.63 1.33 -1.72 0.00 0.00 179.24 178.33 2h5m n VAL 91 N -4.18 0.00 -3.04 -1.35 0.24 -0.99 -4.94 118.33 104.08 2h5m n VAL 91 Ca 0.02 -0.35 -0.40 0.00 -2.04 0.00 0.00 64.34 61.58 2h5m n VAL 91 Cb 0.37 0.25 -0.05 0.00 -1.47 0.00 0.00 33.84 32.94 2h5m n VAL 91 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2h5m s TYR 92 N -3.12 3.67 -1.22 6.34 5.04 -0.32 -0.99 117.35 126.75 2h5m s TYR 92 Ca -0.04 1.34 -0.21 0.00 -2.44 0.00 0.00 57.07 55.73 2h5m s TYR 92 Cb 0.12 -2.78 -0.03 0.00 0.35 0.00 0.00 41.96 39.62 2h5m s TYR 92 CO 0.73 0.22 1.87 1.28 -1.34 0.00 0.00 175.55 178.31 2h5m n LEU 93 N 3.14 3.93 -0.40 6.97 4.77 -0.29 -4.66 117.00 130.46 2h5m n LEU 93 Ca -0.03 -3.46 0.11 0.00 -0.03 0.00 0.00 56.01 52.59 2h5m n LEU 93 Cb 0.51 -1.71 0.44 0.00 -2.33 0.00 0.00 43.42 40.33 2h5m n LEU 93 CO 0.46 -0.94 0.80 0.61 -1.33 0.00 0.00 177.39 177.00 2h5m n GLY 94 N 5.52 -0.07 0.25 -0.72 0.00 -1.26 -3.73 105.19 105.18 2h5m n GLY 94 Ca 0.47 -0.34 0.13 0.00 0.00 0.00 0.00 46.02 46.28 2h5m n GLY 94 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2h5m h LEU 95 N 1.64 0.00 -8.14 0.99 -0.00 -1.94 -3.38 115.31 104.48 2h5m h LEU 95 Ca 0.00 0.00 -0.75 0.00 -0.00 0.00 0.00 57.88 57.13 2h5m h LEU 95 Cb 0.36 0.00 -0.24 0.00 -0.00 0.00 0.00 40.66 40.77 2h5m h LEU 95 CO 0.00 0.13 -0.29 -1.61 -0.00 0.00 0.00 178.44 176.67 2h5m s GLU 96 N -3.81 2.90 -0.21 0.17 0.41 -1.24 -4.79 118.70 112.13 2h5m s GLU 96 Ca -0.00 -1.59 0.13 0.00 -0.41 0.00 0.00 54.97 53.10 2h5m s GLU 96 Cb 0.11 -4.17 0.34 0.00 -1.78 0.00 0.00 34.13 28.62 2h5m s GLU 96 CO 0.59 -1.20 1.30 -2.39 -0.49 0.00 0.00 175.26 173.07 2h5m n HIS 97 N 5.17 -0.74 -2.02 1.61 1.44 -1.26 -5.09 115.22 114.33 2h5m n HIS 97 Ca -0.13 -1.41 -0.42 0.00 -2.01 0.00 0.00 57.72 53.76 2h5m n HIS 97 Cb 0.41 0.80 -0.03 0.00 0.12 0.00 0.00 29.99 31.30 2h5m n HIS 97 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2h5m s HIS 98 N -0.69 3.12 -1.12 -1.40 5.04 -1.26 -3.16 115.29 115.81 2h5m s HIS 98 Ca 0.13 0.77 -0.05 0.00 -1.54 0.00 0.00 55.06 54.37 2h5m s HIS 98 Cb 0.32 -3.84 -0.04 0.00 0.04 0.00 0.00 32.58 29.06 2h5m s HIS 98 CO -0.09 -3.01 0.91 1.58 -2.34 0.00 0.00 174.74 171.79 2h5m n HIS 99 N 3.78 -2.28 -2.95 3.88 -0.00 -1.26 -4.93 115.22 111.45 2h5m n HIS 99 Ca 0.12 0.84 -0.44 0.00 -0.00 0.00 0.00 57.72 58.24 2h5m n HIS 99 Cb 0.40 -4.35 -0.04 0.00 -0.00 0.00 0.00 29.99 26.00 2h5m n HIS 99 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2h5m s HIS 100 N -3.42 2.91 -0.13 1.57 5.04 -1.19 -4.97 115.29 115.10 2h5m s HIS 100 Ca 0.29 -0.94 -0.04 0.00 -1.54 0.00 0.00 55.06 52.84 2h5m s HIS 100 Cb -0.05 -4.21 0.05 0.00 0.04 0.00 0.00 32.58 28.41 2h5m s HIS 100 CO 0.76 -1.50 0.07 -1.58 -2.34 0.00 0.00 174.74 170.15 2h5m s HIS 101 N 3.23 0.26 0.00 3.88 2.46 -1.26 -5.20 115.29 118.65 2h5m s HIS 101 Ca 0.23 -0.19 0.00 0.00 0.47 0.00 0.00 55.06 55.56 2h5m s HIS 101 Cb -0.15 -0.67 0.00 0.00 -0.13 0.00 0.00 32.58 31.63 2h5m s HIS 101 CO 0.03 -0.42 0.00 1.58 -2.47 0.00 0.00 174.74 173.46