#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qew s ILE 1 N 0.00 4.79 0.14 2.02 2.07 -1.26 -5.04 121.20 123.93 1qew s ILE 1 Ca 0.00 2.01 0.11 0.00 -1.41 0.00 0.00 60.65 61.36 1qew s ILE 1 Cb 0.00 -4.30 -0.04 0.00 0.13 0.00 0.00 42.46 38.25 1qew s ILE 1 CO 0.00 0.01 -0.25 -1.10 -1.91 0.00 0.00 174.94 171.69 1qew s GLN 2 N 1.99 1.39 -0.01 3.50 -0.21 -1.26 -4.64 119.66 120.42 1qew s GLN 2 Ca 0.48 -1.37 -0.00 0.00 0.02 0.00 0.00 55.36 54.49 1qew s GLN 2 Cb -0.18 -1.81 0.01 0.00 1.00 0.00 0.00 33.01 32.03 1qew s GLN 2 CO 0.18 0.42 0.02 1.03 -2.12 0.00 0.00 175.29 174.81 1qew s ARG 3 N -2.19 -0.01 0.26 2.91 0.52 0.04 -4.92 118.95 115.55 1qew s ARG 3 Ca 0.15 0.09 -0.30 0.00 -0.52 0.00 0.00 55.73 55.15 1qew s ARG 3 Cb -0.09 -0.11 -0.09 0.00 0.52 0.00 0.00 34.95 35.17 1qew s ARG 3 CO 0.07 -0.08 0.98 0.99 0.02 0.00 0.00 175.30 177.28 1qew s THR 4 N 0.49 3.92 0.36 0.02 2.01 -1.26 -1.93 115.64 119.25 1qew s THR 4 Ca -0.04 1.91 -0.26 0.00 0.31 0.00 0.00 61.69 63.61 1qew s THR 4 Cb -0.06 -4.20 -0.09 0.00 0.01 0.00 0.00 72.50 68.16 1qew s THR 4 CO -0.01 0.43 1.08 -2.16 -0.69 0.00 0.00 174.62 173.27 1qew s PRO 5 N -1.33 4.31 0.24 4.92 0.04 -1.26 -4.17 135.00 137.75 1qew s PRO 5 Ca 0.43 1.64 -0.16 0.00 0.04 0.00 0.00 61.00 62.95 1qew s PRO 5 Cb -0.27 -2.78 -0.08 0.00 0.04 0.00 0.00 34.50 31.41 1qew s PRO 5 CO 0.34 -0.04 0.67 0.15 0.04 0.00 0.00 177.00 178.16 1qew s LYS 6 N -2.12 4.06 -0.04 4.56 -0.14 0.24 -4.87 119.74 121.43 1qew s LYS 6 Ca 0.53 0.65 0.02 0.00 -1.36 0.00 0.00 55.97 55.82 1qew s LYS 6 Cb -0.26 -2.71 0.01 0.00 -1.68 0.00 0.00 37.83 33.19 1qew s LYS 6 CO 0.33 0.32 -0.09 0.42 -0.76 0.00 0.00 175.35 175.57 1qew s ILE 7 N -1.70 0.86 -0.03 2.17 1.01 -1.26 -2.04 121.20 120.21 1qew s ILE 7 Ca 0.46 -0.36 -0.00 0.00 0.00 0.00 0.00 60.65 60.75 1qew s ILE 7 Cb -0.13 -0.79 0.03 0.00 0.01 0.00 0.00 42.46 41.57 1qew s ILE 7 CO 0.19 0.28 0.02 -1.10 0.00 0.00 0.00 174.94 174.33 1qew s GLN 8 N 0.46 0.18 -0.17 2.79 -0.21 -0.73 -5.00 119.66 116.98 1qew s GLN 8 Ca -0.08 0.16 0.00 0.00 0.02 0.00 0.00 55.36 55.46 1qew s GLN 8 Cb -0.12 -0.48 0.01 0.00 1.00 0.00 0.00 33.01 33.42 1qew s GLN 8 CO 0.01 -0.19 -0.16 0.54 -2.12 0.00 0.00 175.29 173.37 1qew s VAL 9 N 1.33 2.47 0.33 1.09 0.11 -1.26 -0.34 120.40 124.13 1qew s VAL 9 Ca -0.06 -0.82 -0.13 0.00 -2.93 0.00 0.00 61.98 58.05 1qew s VAL 9 Cb -0.13 -2.05 0.02 0.00 -1.53 0.00 0.00 36.38 32.69 1qew s VAL 9 CO -0.03 0.51 0.64 -0.72 -3.33 0.00 0.00 175.10 172.18 1qew s TYR 10 N 1.09 0.36 0.07 1.54 1.13 -0.01 -4.47 117.35 117.07 1qew s TYR 10 Ca -0.00 -0.83 0.02 0.00 -1.41 0.00 0.00 57.07 54.85 1qew s TYR 10 Cb -0.14 0.46 -0.04 0.00 -1.10 0.00 0.00 41.96 41.13 1qew s TYR 10 CO -0.06 -1.30 0.09 -1.54 -2.51 0.00 0.00 175.55 170.24 1qew s SER 11 N -3.08 5.62 0.10 -0.18 1.04 -1.26 0.11 113.70 116.04 1qew s SER 11 Ca 0.20 0.03 -0.22 0.00 0.48 0.00 0.00 55.95 56.44 1qew s SER 11 Cb -0.03 -1.54 -0.13 0.00 0.10 0.00 0.00 66.02 64.42 1qew s SER 11 CO 0.13 0.18 1.75 -0.09 0.98 0.00 0.00 173.24 176.18 1qew h ARG 12 N 3.36 0.05 -6.18 4.02 2.43 -1.15 -3.44 114.38 113.47 1qew h ARG 12 Ca -0.47 -0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.14 1qew h ARG 12 Cb 1.16 -0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 30.61 1qew h ARG 12 CO 0.66 0.03 -0.63 -1.01 -1.51 0.00 0.00 179.97 177.52 1qew s HIS 13 N -6.19 2.69 0.26 2.20 3.76 -1.26 -5.04 115.29 111.71 1qew s HIS 13 Ca -0.13 -0.26 -0.30 0.00 -0.15 0.00 0.00 55.06 54.22 1qew s HIS 13 Cb 0.07 -1.27 -0.13 0.00 1.11 0.00 0.00 32.58 32.36 1qew s HIS 13 CO 0.67 0.58 1.32 -2.30 -0.85 0.00 0.00 174.74 174.16 1qew n PRO 14 N -0.93 1.91 -1.75 8.40 -0.02 -1.26 -4.89 135.00 136.46 1qew n PRO 14 Ca -0.06 0.68 -0.39 0.00 -2.02 0.00 0.00 63.50 61.70 1qew n PRO 14 Cb 0.59 -2.28 0.03 0.00 -0.02 0.00 0.00 33.50 31.82 1qew n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qew n ALA 15 N 1.40 1.86 -3.14 3.55 0.00 -1.26 -5.01 120.51 117.91 1qew n ALA 15 Ca 0.10 0.21 0.03 0.00 0.00 0.00 0.00 53.44 53.78 1qew n ALA 15 Cb 0.32 -2.38 -0.00 0.00 0.00 0.00 0.00 19.45 17.39 1qew n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1qew s GLU 16 N -2.59 0.57 0.05 0.00 2.12 -1.26 -5.13 118.70 112.46 1qew s GLU 16 Ca 0.65 0.15 -0.37 0.00 0.36 0.00 0.00 54.97 55.76 1qew s GLU 16 Cb -0.44 0.15 -0.19 0.00 0.26 0.00 0.00 34.13 33.91 1qew s GLU 16 CO 0.55 -0.94 0.93 0.09 -0.54 0.00 0.00 175.26 175.35 1qew n ASN 17 N 4.86 -0.30 0.00 -1.70 3.02 -1.26 -1.60 115.26 118.29 1qew n ASN 17 Ca 0.08 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.78 1qew n ASN 17 Cb 0.56 -0.93 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 1qew n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qew n GLY 18 N 1.64 3.39 3.69 7.41 0.00 -0.39 -5.00 105.19 115.93 1qew n GLY 18 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1qew n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qew s LYS 19 N -0.78 3.36 0.53 1.61 -0.14 -0.62 -4.97 119.74 118.72 1qew s LYS 19 Ca 0.00 -0.36 -0.22 0.00 -1.36 0.00 0.00 55.97 54.03 1qew s LYS 19 Cb 0.00 -2.97 -0.05 0.00 -1.68 0.00 0.00 37.83 33.13 1qew s LYS 19 CO 0.00 0.57 1.36 -1.54 -0.76 0.00 0.00 175.35 174.98 1qew s SER 20 N -0.50 5.36 0.00 2.83 1.04 -1.26 -4.08 113.70 117.09 1qew s SER 20 Ca 0.09 2.77 0.00 0.00 0.48 0.00 0.00 55.95 59.29 1qew s SER 20 Cb -0.12 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.36 1qew s SER 20 CO 0.02 -1.51 0.00 -3.20 0.98 0.00 0.00 173.24 169.53 1qew n ASN 21 N -0.92 0.00 -3.92 7.02 2.85 0.56 -4.95 115.26 115.90 1qew n ASN 21 Ca 0.10 -0.64 -0.21 0.00 -0.11 0.00 0.00 54.58 53.72 1qew n ASN 21 Cb 0.45 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.30 1qew n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1qew s PHE 22 N -5.49 0.90 -0.25 1.20 0.40 -1.26 0.10 117.98 113.58 1qew s PHE 22 Ca 0.00 -0.27 -0.13 0.00 -0.60 0.00 0.00 56.93 55.92 1qew s PHE 22 Cb 0.00 -0.75 -0.04 0.00 0.51 0.00 0.00 43.02 42.74 1qew s PHE 22 CO 0.00 -0.21 0.30 -1.17 0.70 0.00 0.00 175.22 174.84 1qew s LEU 23 N 0.84 4.08 0.03 -0.37 2.96 -0.15 -0.47 118.68 125.59 1qew s LEU 23 Ca -0.12 0.24 0.03 0.00 -0.22 0.00 0.00 54.13 54.06 1qew s LEU 23 Cb -0.15 -2.32 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 1qew s LEU 23 CO 0.01 -0.08 -0.04 0.20 -1.32 0.00 0.00 176.35 175.12 1qew s ASN 24 N 1.41 4.84 -0.20 3.68 0.01 0.30 -2.58 114.94 122.40 1qew s ASN 24 Ca 0.13 -0.13 -0.01 0.00 -0.71 0.00 0.00 52.86 52.14 1qew s ASN 24 Cb -0.15 -1.16 0.05 0.00 0.41 0.00 0.00 41.25 40.40 1qew s ASN 24 CO 0.09 0.25 -0.01 0.00 -1.51 0.00 0.00 177.10 175.91 1qew s TYR 26 N 1.67 3.11 -0.12 0.00 5.04 0.54 -0.95 117.35 126.63 1qew s TYR 26 Ca -0.02 -0.51 0.01 0.00 -2.44 0.00 0.00 57.07 54.11 1qew s TYR 26 Cb -0.17 -2.26 -0.01 0.00 0.35 0.00 0.00 41.96 39.87 1qew s TYR 26 CO -0.07 -0.40 -0.16 0.14 -1.34 0.00 0.00 175.55 173.72 1qew s VAL 27 N 1.60 2.82 0.27 3.14 -7.23 -0.57 -1.77 120.40 118.66 1qew s VAL 27 Ca 0.06 -0.75 -0.08 0.00 -1.81 0.00 0.00 61.98 59.40 1qew s VAL 27 Cb -0.16 -2.16 -0.01 0.00 0.56 0.00 0.00 36.38 34.62 1qew s VAL 27 CO 0.04 0.54 0.42 -0.94 -0.31 0.00 0.00 175.10 174.85 1qew s SER 28 N 0.30 0.24 -1.02 4.85 1.04 -0.87 -0.49 113.70 117.75 1qew s SER 28 Ca -0.12 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.14 1qew s SER 28 Cb -0.16 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1qew s SER 28 CO 0.06 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.75 1qew n GLY 29 N -0.42 1.08 3.92 7.32 0.00 -0.53 0.80 105.19 117.36 1qew n GLY 29 Ca -0.00 -0.35 -0.20 0.00 0.00 0.00 0.00 46.02 45.46 1qew n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1qew s PHE 30 N -2.23 2.93 -0.29 1.61 -0.71 -1.18 -4.24 117.98 113.87 1qew s PHE 30 Ca 0.00 -0.32 -0.19 0.00 -1.04 0.00 0.00 56.93 55.38 1qew s PHE 30 Cb 0.00 -2.00 0.18 0.00 -1.21 0.00 0.00 43.02 39.99 1qew s PHE 30 CO 0.00 -0.01 1.22 -1.58 -1.34 0.00 0.00 175.22 173.50 1qew s HIS 31 N -2.29 -0.22 0.79 3.49 2.46 -0.81 -1.70 115.29 117.01 1qew s HIS 31 Ca 0.45 0.47 -0.13 0.00 0.47 0.00 0.00 55.06 56.32 1qew s HIS 31 Cb -0.07 0.25 0.20 0.00 -0.13 0.00 0.00 32.58 32.83 1qew s HIS 31 CO 0.29 -0.11 0.54 -0.35 -2.47 0.00 0.00 174.74 172.64 1qew n PRO 32 N 2.78 -3.18 0.09 2.88 -0.04 -1.26 -0.78 135.00 135.48 1qew n PRO 32 Ca -0.15 -0.89 -0.05 0.00 -0.04 0.00 0.00 63.50 62.37 1qew n PRO 32 Cb 0.57 -1.03 -0.01 0.00 -0.04 0.00 0.00 33.50 32.98 1qew n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1qew h SER 33 N -2.62 0.00 -2.19 3.54 4.64 -2.00 -3.45 113.55 111.47 1qew h SER 33 Ca -0.23 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.51 1qew h SER 33 Cb 0.74 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.86 1qew h SER 33 CO 0.14 0.85 1.13 0.47 -0.87 0.00 0.00 176.83 178.55 1qew n ASP 34 N -3.51 3.71 -3.65 4.97 9.92 -1.26 -4.95 116.55 121.78 1qew n ASP 34 Ca -0.00 0.96 -0.14 0.00 -0.53 0.00 0.00 54.79 55.07 1qew n ASP 34 Cb 0.82 -1.44 -0.07 0.00 -0.64 0.00 0.00 41.12 39.79 1qew n ASP 34 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1qew s ILE 35 N 3.88 0.04 -0.14 0.53 2.07 -1.26 -4.60 121.20 121.72 1qew s ILE 35 Ca 0.90 -0.34 0.02 0.00 -1.41 0.00 0.00 60.65 59.82 1qew s ILE 35 Cb -0.59 -0.85 0.01 0.00 0.13 0.00 0.00 42.46 41.16 1qew s ILE 35 CO 0.46 -0.19 -0.22 -0.70 -1.91 0.00 0.00 174.94 172.39 1qew s GLU 36 N -1.82 3.01 -0.05 3.50 2.12 -0.47 -5.00 118.70 119.98 1qew s GLU 36 Ca -0.09 -0.85 0.01 0.00 0.36 0.00 0.00 54.97 54.40 1qew s GLU 36 Cb -0.02 -2.45 0.02 0.00 0.26 0.00 0.00 34.13 31.94 1qew s GLU 36 CO 0.03 -0.04 -0.07 0.08 -0.54 0.00 0.00 175.26 174.71 1qew s VAL 37 N 0.88 0.77 -0.01 3.70 1.01 -1.26 -1.06 120.40 124.43 1qew s VAL 37 Ca -0.05 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.70 1qew s VAL 37 Cb -0.15 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 1qew s VAL 37 CO -0.03 0.28 -0.12 -1.81 0.00 0.00 0.00 175.10 173.41 1qew s ASP 38 N 0.84 1.44 -0.12 3.32 1.01 -0.11 -4.98 116.67 118.07 1qew s ASP 38 Ca -0.12 -0.22 -0.13 0.00 0.71 0.00 0.00 52.55 52.78 1qew s ASP 38 Cb -0.15 -0.22 -0.05 0.00 1.01 0.00 0.00 42.92 43.52 1qew s ASP 38 CO 0.01 0.13 0.30 -0.76 0.21 0.00 0.00 175.17 175.07 1qew s LEU 39 N -0.18 4.31 0.06 1.23 1.43 -1.26 -0.19 118.68 124.08 1qew s LEU 39 Ca 0.03 0.60 0.06 0.00 -1.03 0.00 0.00 54.13 53.78 1qew s LEU 39 Cb -0.06 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 1qew s LEU 39 CO -0.00 0.18 -0.09 -0.76 0.23 0.00 0.00 176.35 175.91 1qew s LEU 40 N -0.02 3.06 -0.27 1.79 1.43 0.02 -0.28 118.68 124.41 1qew s LEU 40 Ca 0.18 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 1qew s LEU 40 Cb -0.14 -1.82 0.08 0.00 0.03 0.00 0.00 46.19 44.34 1qew s LEU 40 CO 0.06 0.22 -0.00 -0.75 0.23 0.00 0.00 176.35 176.10 1qew s LYS 41 N -1.87 1.41 -1.50 1.70 2.20 -0.33 -2.30 119.74 119.05 1qew s LYS 41 Ca 0.20 -1.17 -0.06 0.00 -0.36 0.00 0.00 55.97 54.58 1qew s LYS 41 Cb -0.11 -2.59 0.02 0.00 -1.51 0.00 0.00 37.83 33.64 1qew s LYS 41 CO 0.11 -0.74 0.64 0.09 -0.36 0.00 0.00 175.35 175.10 1qew n ASN 42 N 4.63 -5.74 0.00 1.43 3.02 0.12 -1.93 115.26 116.79 1qew n ASN 42 Ca -0.07 -0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.15 1qew n ASN 42 Cb 0.43 -4.64 0.00 0.00 -0.61 0.00 0.00 39.78 34.96 1qew n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qew n GLY 43 N -1.51 2.32 3.78 7.41 0.00 -1.26 -5.04 105.19 110.88 1qew n GLY 43 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 1qew n GLY 43 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1qew s GLU 44 N -0.59 3.89 0.16 1.61 -1.05 -0.81 -5.02 118.70 116.89 1qew s GLU 44 Ca 0.00 -0.20 -0.34 0.00 -0.15 0.00 0.00 54.97 54.29 1qew s GLU 44 Cb 0.00 -3.32 -0.15 0.00 -0.44 0.00 0.00 34.13 30.23 1qew s GLU 44 CO 0.00 0.48 1.41 -2.13 0.95 0.00 0.00 175.26 175.96 1qew n ARG 45 N 2.94 1.71 -2.74 -4.83 0.63 -1.26 -1.18 116.66 111.93 1qew n ARG 45 Ca -0.18 0.61 -0.37 0.00 -0.92 0.00 0.00 57.85 57.00 1qew n ARG 45 Cb 0.53 -2.28 -0.06 0.00 0.45 0.00 0.00 32.46 31.11 1qew n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1qew s ILE 46 N 0.37 4.13 0.00 5.15 1.01 0.61 -4.84 121.20 127.63 1qew s ILE 46 Ca 0.77 1.70 0.00 0.00 0.00 0.00 0.00 60.65 63.11 1qew s ILE 46 Cb -0.77 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 37.79 1qew s ILE 46 CO 0.45 0.08 0.10 1.21 0.00 0.00 0.00 174.94 176.78 1qew n GLU 47 N 0.34 0.00 -2.70 2.79 4.07 -1.26 -4.58 120.64 119.31 1qew n GLU 47 Ca 0.03 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.71 1qew n GLU 47 Cb 0.50 -0.59 -0.03 0.00 -0.06 0.00 0.00 31.44 31.27 1qew n GLU 47 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1qew s LYS 48 N -0.19 3.43 -0.16 5.31 1.02 -1.26 -4.99 119.74 122.90 1qew s LYS 48 Ca 0.00 -1.05 -0.00 0.00 0.02 0.00 0.00 55.97 54.94 1qew s LYS 48 Cb 0.00 -4.82 -0.00 0.00 -0.52 0.00 0.00 37.83 32.49 1qew s LYS 48 CO 0.00 -2.03 -0.14 0.08 -0.92 0.00 0.00 175.35 172.34 1qew s VAL 49 N 4.42 2.71 0.37 3.17 1.01 -1.26 -4.73 120.40 126.09 1qew s VAL 49 Ca 0.36 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.66 1qew s VAL 49 Cb -0.06 -2.15 -0.00 0.00 0.00 0.00 0.00 36.38 34.17 1qew s VAL 49 CO -0.01 0.51 0.52 -1.61 0.00 0.00 0.00 175.10 174.50 1qew s GLU 50 N 0.89 3.03 -0.03 2.72 2.02 -0.38 -4.92 118.70 122.04 1qew s GLU 50 Ca -0.04 -1.01 -0.21 0.00 0.02 0.00 0.00 54.97 53.74 1qew s GLU 50 Cb -0.15 -2.78 0.04 0.00 0.10 0.00 0.00 34.13 31.34 1qew s GLU 50 CO -0.01 -0.06 0.44 -3.38 0.02 0.00 0.00 175.26 172.27 1qew s HIS 51 N -2.26 -0.35 0.99 1.61 -3.43 -1.26 -0.82 115.29 109.77 1qew s HIS 51 Ca 0.48 0.57 -0.12 0.00 -0.80 0.00 0.00 55.06 55.18 1qew s HIS 51 Cb -0.10 0.21 0.18 0.00 -1.43 0.00 0.00 32.58 31.45 1qew s HIS 51 CO 0.32 -0.47 1.08 -1.54 -2.00 0.00 0.00 174.74 172.13 1qew s SER 52 N -1.29 2.59 0.26 7.38 1.04 -0.06 -4.97 113.70 118.65 1qew s SER 52 Ca -0.13 1.46 -0.30 0.00 0.48 0.00 0.00 55.95 57.47 1qew s SER 52 Cb -0.03 -2.14 -0.09 0.00 0.10 0.00 0.00 66.02 63.85 1qew s SER 52 CO 0.06 -3.19 1.00 -1.81 0.98 0.00 0.00 173.24 170.28 1qew s ASP 53 N -3.16 7.50 0.01 7.02 1.01 -1.26 -4.75 116.67 123.03 1qew s ASP 53 Ca 0.65 2.06 -0.34 0.00 0.71 0.00 0.00 52.55 55.63 1qew s ASP 53 Cb -0.20 -2.61 -0.13 0.00 1.01 0.00 0.00 42.92 40.99 1qew s ASP 53 CO 0.59 0.04 1.76 -0.11 0.21 0.00 0.00 175.17 177.66 1qew n LEU 54 N 1.34 3.30 -4.28 1.23 7.94 -1.26 -4.93 117.00 120.33 1qew n LEU 54 Ca -0.01 1.02 -0.19 0.00 -1.11 0.00 0.00 56.01 55.71 1qew n LEU 54 Cb 0.46 -1.39 -0.08 0.00 0.53 0.00 0.00 43.42 42.94 1qew n LEU 54 CO 0.51 -0.15 -0.13 -0.55 -1.11 0.00 0.00 177.39 175.96 1qew s SER 55 N 2.86 1.57 0.13 1.96 0.15 -1.24 -5.06 113.70 114.06 1qew s SER 55 Ca 0.87 -1.72 -0.12 0.00 0.70 0.00 0.00 55.95 55.69 1qew s SER 55 Cb -0.69 0.54 0.01 0.00 -1.71 0.00 0.00 66.02 64.17 1qew s SER 55 CO 0.46 -1.04 0.30 0.72 1.20 0.00 0.00 173.24 174.89 1qew s PHE 56 N -3.51 0.09 0.43 3.44 -0.12 -1.26 -2.29 117.98 114.75 1qew s PHE 56 Ca 0.40 -0.46 -0.02 0.00 -0.05 0.00 0.00 56.93 56.79 1qew s PHE 56 Cb 0.03 0.07 0.09 0.00 -0.63 0.00 0.00 43.02 42.58 1qew s PHE 56 CO 0.26 -0.66 0.59 0.43 -0.05 0.00 0.00 175.22 175.78 1qew n SER 57 N -0.17 0.55 -0.04 1.98 7.64 0.35 -4.91 113.62 119.01 1qew n SER 57 Ca -0.13 -1.52 0.06 0.00 1.01 0.00 0.00 58.87 58.29 1qew n SER 57 Cb 0.63 -0.40 0.43 0.00 -1.01 0.00 0.00 64.21 63.85 1qew n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1qew h LYS 58 N 0.00 0.55 -0.16 1.43 3.64 -2.03 -0.94 116.57 119.06 1qew h LYS 58 Ca -0.19 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1qew h LYS 58 Cb 0.65 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1qew h LYS 58 CO 0.18 0.36 0.00 -0.40 -2.27 0.00 0.00 179.45 177.33 1qew n ASP 59 N -4.47 0.89 0.00 4.20 5.68 -1.26 -4.88 116.55 116.71 1qew n ASP 59 Ca 0.05 -1.94 0.00 0.00 -0.50 0.00 0.00 54.79 52.41 1qew n ASP 59 Cb 0.13 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 1qew n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1qew n TRP 60 N -0.04 0.00 -2.31 2.11 7.02 -0.36 -5.02 117.44 118.84 1qew n TRP 60 Ca 0.07 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.16 1qew n TRP 60 Cb 0.15 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.02 1qew n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1qew s SER 61 N -3.67 6.67 0.43 -0.99 1.04 -1.26 -4.63 113.70 111.30 1qew s SER 61 Ca 0.00 2.36 -0.10 0.00 0.48 0.00 0.00 55.95 58.69 1qew s SER 61 Cb 0.00 -2.62 -0.06 0.00 0.10 0.00 0.00 66.02 63.44 1qew s SER 61 CO 0.00 -0.57 0.79 -0.36 0.98 0.00 0.00 173.24 174.08 1qew s PHE 62 N -1.36 3.49 -0.04 5.02 0.08 -0.69 -0.50 117.98 123.99 1qew s PHE 62 Ca 0.54 1.04 -0.07 0.00 0.12 0.00 0.00 56.93 58.57 1qew s PHE 62 Cb -0.31 -2.45 0.01 0.00 -0.57 0.00 0.00 43.02 39.70 1qew s PHE 62 CO 0.40 -0.17 0.17 1.52 -0.10 0.00 0.00 175.22 177.04 1qew s TYR 63 N -2.47 -0.11 -0.00 0.36 -0.85 -0.97 -1.46 117.35 111.85 1qew s TYR 63 Ca 0.51 0.24 -0.05 0.00 -0.52 0.00 0.00 57.07 57.25 1qew s TYR 63 Cb -0.10 0.02 -0.00 0.00 0.38 0.00 0.00 41.96 42.26 1qew s TYR 63 CO 0.34 -0.18 0.09 -0.51 -1.52 0.00 0.00 175.55 173.78 1qew s LEU 64 N -0.52 1.73 -0.18 -3.49 1.43 0.35 -3.70 118.68 114.30 1qew s LEU 64 Ca -0.06 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1qew s LEU 64 Cb -0.04 0.48 0.01 0.00 0.03 0.00 0.00 46.19 46.67 1qew s LEU 64 CO 0.01 -0.30 -0.16 -0.22 0.23 0.00 0.00 176.35 175.91 1qew s LEU 65 N -1.15 2.32 -0.11 1.79 2.96 -1.26 -1.51 118.68 121.71 1qew s LEU 65 Ca -0.12 -0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 53.18 1qew s LEU 65 Cb -0.07 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 1qew s LEU 65 CO 0.01 0.01 0.00 -0.31 -1.32 0.00 0.00 176.35 174.74 1qew s TYR 66 N 1.23 3.15 0.14 5.38 1.51 -0.13 -0.88 117.35 127.76 1qew s TYR 66 Ca 0.03 0.07 -0.12 0.00 -1.01 0.00 0.00 57.07 56.04 1qew s TYR 66 Cb -0.14 -1.87 0.01 0.00 -0.11 0.00 0.00 41.96 39.86 1qew s TYR 66 CO -0.09 0.32 0.33 1.52 -1.11 0.00 0.00 175.55 176.53 1qew s TYR 67 N -0.44 0.11 -0.28 2.71 1.13 -0.00 -0.74 117.35 119.83 1qew s TYR 67 Ca 0.08 -0.47 -0.24 0.00 -1.41 0.00 0.00 57.07 55.03 1qew s TYR 67 Cb -0.12 0.10 0.09 0.00 -1.10 0.00 0.00 41.96 40.93 1qew s TYR 67 CO 0.02 -0.71 0.84 -0.08 -2.51 0.00 0.00 175.55 173.11 1qew s THR 68 N -3.89 0.00 0.34 -3.49 -1.32 -1.06 -1.24 115.64 104.97 1qew s THR 68 Ca 0.10 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.29 1qew s THR 68 Cb 0.03 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.91 1qew s THR 68 CO -0.06 0.00 1.29 -0.70 -2.21 0.00 0.00 174.62 172.94 1qew s GLU 69 N 0.45 4.34 0.18 7.08 2.12 -1.26 -0.98 118.70 130.63 1qew s GLU 69 Ca 0.00 2.18 -0.18 0.00 0.36 0.00 0.00 54.97 57.32 1qew s GLU 69 Cb -0.05 -3.04 0.04 0.00 0.26 0.00 0.00 34.13 31.33 1qew s GLU 69 CO -0.04 -0.19 0.52 -0.59 -0.54 0.00 0.00 175.26 174.43 1qew s PHE 70 N -1.16 -0.21 -0.30 5.30 -0.71 0.28 -4.85 117.98 116.32 1qew s PHE 70 Ca 0.49 -0.10 0.03 0.00 -1.04 0.00 0.00 56.93 56.31 1qew s PHE 70 Cb -0.39 0.41 0.08 0.00 -1.21 0.00 0.00 43.02 41.91 1qew s PHE 70 CO 0.52 -0.88 -0.03 0.99 -1.34 0.00 0.00 175.22 174.48 1qew s THR 71 N -3.84 2.26 0.45 -4.49 2.01 -1.26 0.21 115.64 110.98 1qew s THR 71 Ca 0.07 -1.98 -0.24 0.00 0.31 0.00 0.00 61.69 59.84 1qew s THR 71 Cb -0.01 -2.50 -0.07 0.00 0.01 0.00 0.00 72.50 69.93 1qew s THR 71 CO -0.06 -0.32 1.24 -2.16 -0.69 0.00 0.00 174.62 172.64 1qew s PRO 72 N 1.01 3.74 0.33 4.92 0.04 -1.26 -4.80 135.00 138.98 1qew s PRO 72 Ca 0.01 1.98 0.04 0.00 0.04 0.00 0.00 61.00 63.08 1qew s PRO 72 Cb -0.20 -2.52 -0.07 0.00 0.04 0.00 0.00 34.50 31.76 1qew s PRO 72 CO -0.06 -0.63 0.04 0.95 0.04 0.00 0.00 177.00 177.34 1qew s THR 73 N -1.40 1.32 0.34 1.26 -4.23 -1.26 -1.26 115.64 110.41 1qew s THR 73 Ca 0.62 -2.01 0.10 0.00 -1.18 0.00 0.00 61.69 59.22 1qew s THR 73 Cb -0.34 -2.79 0.07 0.00 1.34 0.00 0.00 72.50 70.78 1qew s THR 73 CO 0.42 -0.03 1.77 -0.08 -0.54 0.00 0.00 174.62 176.16 1qew h GLU 74 N 2.09 0.10 -0.10 3.99 4.81 -1.97 -3.29 114.58 120.21 1qew h GLU 74 Ca -0.41 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1qew h GLU 74 Cb 1.24 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1qew h GLU 74 CO 0.71 0.48 0.00 1.63 -0.73 0.00 0.00 179.01 181.10 1qew n LYS 75 N -4.06 1.52 -3.20 1.92 5.02 -1.26 -4.97 118.16 113.14 1qew n LYS 75 Ca -0.02 -1.36 -0.40 0.00 -2.02 0.00 0.00 58.31 54.52 1qew n LYS 75 Cb 0.44 -1.12 -0.07 0.00 -0.02 0.00 0.00 35.03 34.26 1qew n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1qew s ASP 76 N -0.76 6.53 -0.16 4.39 1.01 -1.24 -5.05 116.67 121.37 1qew s ASP 76 Ca 0.09 0.64 -0.09 0.00 0.71 0.00 0.00 52.55 53.90 1qew s ASP 76 Cb 0.05 -2.30 -0.05 0.00 1.01 0.00 0.00 42.92 41.64 1qew s ASP 76 CO 0.08 -0.27 0.14 -1.61 0.21 0.00 0.00 175.17 173.71 1qew s GLU 77 N 2.12 3.86 0.26 8.23 2.02 -1.26 -4.65 118.70 129.28 1qew s GLU 77 Ca 0.24 -0.17 0.12 0.00 0.02 0.00 0.00 54.97 55.17 1qew s GLU 77 Cb -0.16 -3.32 -0.05 0.00 0.10 0.00 0.00 34.13 30.71 1qew s GLU 77 CO 0.09 0.51 -0.20 0.71 0.02 0.00 0.00 175.26 176.40 1qew s TYR 78 N -0.26 2.25 0.36 1.61 1.51 -1.26 0.15 117.35 121.69 1qew s TYR 78 Ca 0.11 -0.35 -0.17 0.00 -1.01 0.00 0.00 57.07 55.66 1qew s TYR 78 Cb -0.11 -0.99 0.06 0.00 -0.11 0.00 0.00 41.96 40.80 1qew s TYR 78 CO 0.01 0.67 0.84 0.00 -1.11 0.00 0.00 175.55 175.95 1qew s ALA 79 N -2.44 -0.87 -0.07 3.71 0.00 -0.97 -0.95 121.76 120.17 1qew s ALA 79 Ca 0.28 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1qew s ALA 79 Cb -0.05 0.68 0.02 0.00 0.00 0.00 0.00 23.12 23.77 1qew s ALA 79 CO 0.14 -1.00 -0.06 0.00 0.00 0.00 0.00 175.76 174.84 1qew s ARG 81 N 1.33 3.49 -0.03 0.00 3.52 0.73 -0.63 118.95 127.36 1qew s ARG 81 Ca -0.04 -0.60 0.07 0.00 -0.13 0.00 0.00 55.73 55.04 1qew s ARG 81 Cb -0.14 -3.42 -0.02 0.00 -1.56 0.00 0.00 34.95 29.82 1qew s ARG 81 CO -0.03 -0.30 -0.25 0.08 -0.81 0.00 0.00 175.30 174.00 1qew s VAL 82 N 1.61 1.97 -0.03 7.11 1.01 0.84 -0.94 120.40 131.97 1qew s VAL 82 Ca 0.05 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 61.01 1qew s VAL 82 Cb -0.16 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.57 1qew s VAL 82 CO 0.05 0.56 -0.09 0.21 0.00 0.00 0.00 175.10 175.82 1qew s ASN 83 N -0.41 1.27 0.13 3.32 3.04 -0.22 0.14 114.94 122.21 1qew s ASN 83 Ca 0.04 -0.20 -0.09 0.00 0.04 0.00 0.00 52.86 52.66 1qew s ASN 83 Cb -0.11 -0.38 -0.00 0.00 -1.54 0.00 0.00 41.25 39.22 1qew s ASN 83 CO 0.01 0.06 0.24 -2.28 -3.04 0.00 0.00 177.10 172.09 1qew s HIS 84 N 0.26 0.27 0.53 0.43 2.46 -1.26 -1.37 115.29 116.62 1qew s HIS 84 Ca -0.04 -0.67 0.20 0.00 0.47 0.00 0.00 55.06 55.02 1qew s HIS 84 Cb -0.10 -0.05 1.36 0.00 -0.13 0.00 0.00 32.58 33.66 1qew s HIS 84 CO 0.01 -0.64 2.12 -0.24 -2.47 0.00 0.00 174.74 173.52 1qew h VAL 85 N 2.63 0.88 0.00 0.89 3.04 -1.96 -0.00 116.25 121.73 1qew h VAL 85 Ca -0.33 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 1qew h VAL 85 Cb 1.22 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 1qew h VAL 85 CO 0.52 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.43 1qew n THR 86 N -4.42 0.28 -3.81 3.17 -2.24 -1.26 -4.73 114.28 101.27 1qew n THR 86 Ca 0.00 -0.03 -0.36 0.00 -2.27 0.00 0.00 64.05 61.39 1qew n THR 86 Cb 0.22 -0.60 -0.11 0.00 -2.10 0.00 0.00 70.33 67.74 1qew n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1qew s LEU 87 N -3.43 3.71 0.52 3.22 1.43 -0.02 -4.97 118.68 119.14 1qew s LEU 87 Ca 0.12 -0.06 0.30 0.00 -1.03 0.00 0.00 54.13 53.46 1qew s LEU 87 Cb 0.16 -1.98 1.32 0.00 0.03 0.00 0.00 46.19 45.72 1qew s LEU 87 CO 0.51 0.04 1.98 0.77 0.23 0.00 0.00 176.35 179.88 1qew h SER 88 N 7.71 0.00 -5.01 2.29 4.64 -1.85 -3.42 113.55 117.92 1qew h SER 88 Ca -0.37 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.84 1qew h SER 88 Cb 1.18 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.07 1qew h SER 88 CO 0.62 0.10 -0.26 -1.10 -0.87 0.00 0.00 176.83 175.32 1qew s GLN 89 N -3.82 0.72 0.25 4.77 -0.21 -1.26 -5.13 119.66 114.98 1qew s GLN 89 Ca -0.00 -0.27 -0.31 0.00 0.02 0.00 0.00 55.36 54.79 1qew s GLN 89 Cb 0.11 0.32 -0.13 0.00 1.00 0.00 0.00 33.01 34.30 1qew s GLN 89 CO 0.57 -0.21 1.42 -0.35 -2.12 0.00 0.00 175.29 174.61 1qew n PRO 90 N 1.06 2.11 -3.37 2.91 -0.04 -1.26 -4.89 135.00 131.53 1qew n PRO 90 Ca -0.21 0.75 -0.38 0.00 -0.04 0.00 0.00 63.50 63.62 1qew n PRO 90 Cb 0.57 -2.42 -0.07 0.00 -0.04 0.00 0.00 33.50 31.54 1qew n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1qew s LYS 91 N -0.48 4.20 -0.22 0.54 2.20 0.37 -4.85 119.74 121.50 1qew s LYS 91 Ca 0.67 0.26 -0.08 0.00 -0.36 0.00 0.00 55.97 56.46 1qew s LYS 91 Cb -0.63 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.13 1qew s LYS 91 CO 0.50 -0.01 0.10 0.42 -0.36 0.00 0.00 175.35 176.00 1qew s ILE 92 N 1.21 4.84 -0.15 5.43 -1.09 -1.26 -0.11 121.20 130.07 1qew s ILE 92 Ca 0.21 -0.00 0.01 0.00 -2.23 0.00 0.00 60.65 58.64 1qew s ILE 92 Cb -0.15 -3.23 0.02 0.00 -1.58 0.00 0.00 42.46 37.52 1qew s ILE 92 CO 0.08 0.38 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.30 1qew s VAL 93 N 0.99 1.88 0.26 2.92 1.01 0.20 -4.95 120.40 122.71 1qew s VAL 93 Ca 0.05 -0.84 -0.24 0.00 0.00 0.00 0.00 61.98 60.95 1qew s VAL 93 Cb -0.14 -1.70 -0.09 0.00 0.00 0.00 0.00 36.38 34.45 1qew s VAL 93 CO 0.03 0.51 0.85 -0.54 0.00 0.00 0.00 175.10 175.95 1qew s LYS 94 N 1.18 4.50 -0.13 2.72 1.02 -1.26 0.16 119.74 127.92 1qew s LYS 94 Ca 0.01 1.17 -0.29 0.00 0.02 0.00 0.00 55.97 56.87 1qew s LYS 94 Cb -0.14 -2.95 -0.01 0.00 -0.52 0.00 0.00 37.83 34.22 1qew s LYS 94 CO -0.08 0.39 1.05 -0.46 -0.92 0.00 0.00 175.35 175.33 1qew s TRP 95 N -1.47 3.40 -0.29 3.18 -0.00 -0.12 -4.87 118.94 118.77 1qew s TRP 95 Ca 0.45 1.49 -0.00 0.00 -0.00 0.00 0.00 56.10 58.03 1qew s TRP 95 Cb -0.19 -3.25 0.05 0.00 -0.00 0.00 0.00 33.47 30.07 1qew s TRP 95 CO 0.24 -0.50 -0.04 0.34 -0.00 0.00 0.00 176.95 177.00 1qew s ASP 96 N 1.21 4.73 0.00 5.86 -1.08 -1.26 -4.77 116.67 121.35 1qew s ASP 96 Ca 0.48 -1.30 0.00 0.00 -0.52 0.00 0.00 52.55 51.21 1qew s ASP 96 Cb -0.18 -1.66 0.00 0.00 -1.46 0.00 0.00 42.92 39.62 1qew s ASP 96 CO 0.15 -0.23 0.89 -2.11 0.52 0.00 0.00 175.17 174.39 1qew n ARG 97 N 4.56 0.00 -0.85 4.34 1.85 -1.26 -1.42 116.66 123.88 1qew n ARG 97 Ca -0.14 0.39 -0.02 0.00 -1.00 0.00 0.00 57.85 57.09 1qew n ARG 97 Cb 0.43 -1.55 0.29 0.00 -1.05 0.00 0.00 32.46 30.58 1qew n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1qew n ASP 98 N -1.39 4.33 0.00 2.89 8.00 -1.26 -4.75 116.55 124.38 1qew n ASP 98 Ca 0.00 -3.24 0.00 0.00 0.71 0.00 0.00 54.79 52.26 1qew n ASP 98 Cb 0.05 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.47 1qew n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04