#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh3 s SER 2 N 0.00 6.31 0.14 1.61 0.15 -1.26 -5.06 113.70 115.60 1wh3 s SER 2 Ca 0.00 -0.20 -0.08 0.00 0.70 0.00 0.00 55.95 56.37 1wh3 s SER 2 Cb 0.00 -2.28 -0.06 0.00 -1.71 0.00 0.00 66.02 61.97 1wh3 s SER 2 CO 0.00 -0.60 0.43 -0.94 1.20 0.00 0.00 173.24 173.33 1wh3 s SER 3 N 1.84 6.58 0.10 5.45 1.04 -1.26 -5.10 113.70 122.36 1wh3 s SER 3 Ca 0.19 0.74 0.04 0.00 0.48 0.00 0.00 55.95 57.41 1wh3 s SER 3 Cb -0.15 -2.15 -0.04 0.00 0.10 0.00 0.00 66.02 63.77 1wh3 s SER 3 CO 0.15 0.06 0.05 -0.83 0.98 0.00 0.00 173.24 173.65 1wh3 s GLY 4 N -2.19 1.92 -0.19 7.32 0.00 -1.26 -5.04 107.32 107.88 1wh3 s GLY 4 Ca 0.40 -1.11 -0.08 0.00 0.00 0.00 0.00 44.72 43.93 1wh3 s GLY 4 CO 0.22 -1.09 0.10 1.44 0.00 0.00 0.00 173.10 173.76 1wh3 n SER 5 N 0.36 2.02 -4.00 1.64 7.64 -1.26 -5.01 113.62 115.00 1wh3 n SER 5 Ca -0.09 0.18 -0.08 0.00 1.01 0.00 0.00 58.87 59.88 1wh3 n SER 5 Cb 0.52 -0.77 -0.09 0.00 -1.01 0.00 0.00 64.21 62.87 1wh3 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wh3 s SER 6 N -6.93 0.34 0.00 6.43 0.15 -1.26 -5.14 113.70 107.29 1wh3 s SER 6 Ca -0.29 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 55.53 1wh3 s SER 6 Cb 0.08 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1wh3 s SER 6 CO 0.66 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 175.10 1wh3 n GLY 7 N 0.22 2.04 3.42 9.45 0.00 -1.26 -4.70 105.19 114.36 1wh3 n GLY 7 Ca -0.15 -2.16 -0.29 0.00 0.00 0.00 0.00 46.02 43.41 1wh3 n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wh3 s ILE 8 N -1.66 2.42 -0.21 -0.61 -4.36 -1.21 -4.95 121.20 110.63 1wh3 s ILE 8 Ca 0.00 -1.71 -0.08 0.00 -0.26 0.00 0.00 60.65 58.60 1wh3 s ILE 8 Cb 0.00 -2.09 -0.04 0.00 1.25 0.00 0.00 42.46 41.58 1wh3 s ILE 8 CO 0.00 0.08 0.09 -1.58 0.24 0.00 0.00 174.94 173.78 1wh3 s GLN 9 N -2.11 3.94 -0.03 0.37 0.74 -1.26 -2.96 119.66 118.35 1wh3 s GLN 9 Ca 0.15 -0.35 0.05 0.00 0.05 0.00 0.00 55.36 55.26 1wh3 s GLN 9 Cb -0.10 -3.34 -0.01 0.00 1.10 0.00 0.00 33.01 30.67 1wh3 s GLN 9 CO 0.07 0.12 -0.17 0.14 -0.55 0.00 0.00 175.29 174.90 1wh3 s VAL 10 N 0.82 1.42 -0.11 1.34 -7.23 -0.79 0.25 120.40 116.10 1wh3 s VAL 10 Ca 0.05 -0.73 -0.22 0.00 -1.81 0.00 0.00 61.98 59.26 1wh3 s VAL 10 Cb -0.13 -1.20 -0.03 0.00 0.56 0.00 0.00 36.38 35.57 1wh3 s VAL 10 CO 0.02 0.41 0.66 -0.36 -0.31 0.00 0.00 175.10 175.52 1wh3 s PHE 11 N -0.16 3.51 -0.39 2.82 0.08 0.11 -0.72 117.98 123.24 1wh3 s PHE 11 Ca 0.01 1.12 -0.07 0.00 0.12 0.00 0.00 56.93 58.11 1wh3 s PHE 11 Cb -0.09 -2.78 0.07 0.00 -0.57 0.00 0.00 43.02 39.65 1wh3 s PHE 11 CO 0.01 0.01 0.19 0.08 -0.10 0.00 0.00 175.22 175.41 1wh3 s VAL 12 N 1.13 3.87 -0.04 -0.44 1.01 0.49 -0.42 120.40 126.00 1wh3 s VAL 12 Ca 0.34 -1.42 -0.23 0.00 0.00 0.00 0.00 61.98 60.66 1wh3 s VAL 12 Cb -0.17 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1wh3 s VAL 12 CO 0.15 -0.42 0.69 -0.75 0.00 0.00 0.00 175.10 174.77 1wh3 s LYS 13 N 1.36 4.42 0.37 2.72 2.20 0.16 -1.95 119.74 129.03 1wh3 s LYS 13 Ca 0.02 0.87 -0.03 0.00 -0.36 0.00 0.00 55.97 56.47 1wh3 s LYS 13 Cb -0.22 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 1wh3 s LYS 13 CO 0.01 0.14 0.63 0.54 -0.36 0.00 0.00 175.35 176.31 1wh3 s ASN 14 N 0.52 6.33 0.00 1.43 2.20 -0.61 -0.97 114.94 123.84 1wh3 s ASN 14 Ca 0.36 0.69 0.15 0.00 -0.94 0.00 0.00 52.86 53.12 1wh3 s ASN 14 Cb -0.18 -2.14 0.73 0.00 -2.00 0.00 0.00 41.25 37.67 1wh3 s ASN 14 CO 0.18 -0.36 1.41 -0.81 -2.94 0.00 0.00 177.10 174.59 1wh3 n PRO 15 N -1.69 0.19 -0.06 3.55 -0.04 -1.23 -2.82 135.00 132.90 1wh3 n PRO 15 Ca -0.02 0.15 -0.21 0.00 -0.04 0.00 0.00 63.50 63.38 1wh3 n PRO 15 Cb 0.55 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.38 1wh3 n PRO 15 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wh3 n ASP 16 N -1.30 2.03 0.00 3.54 8.00 -1.26 -5.05 116.55 122.51 1wh3 n ASP 16 Ca 0.07 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.72 1wh3 n ASP 16 Cb 0.12 -0.75 0.00 0.00 -0.02 0.00 0.00 41.12 40.47 1wh3 n ASP 16 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wh3 n GLY 17 N 1.92 1.57 0.00 0.44 0.00 -1.13 -5.18 105.19 102.81 1wh3 n GLY 17 Ca -0.38 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1wh3 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wh3 n GLY 18 N 0.00 3.32 3.42 -0.02 0.00 -1.26 -4.94 105.19 105.72 1wh3 n GLY 18 Ca 0.00 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 1wh3 n GLY 18 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wh3 s SER 19 N 0.00 4.30 0.05 1.61 1.04 -1.26 -1.58 113.70 117.86 1wh3 s SER 19 Ca 0.00 -0.25 0.07 0.00 0.48 0.00 0.00 55.95 56.25 1wh3 s SER 19 Cb 0.00 -1.64 -0.03 0.00 0.10 0.00 0.00 66.02 64.45 1wh3 s SER 19 CO 0.00 0.18 -0.15 -0.31 0.98 0.00 0.00 173.24 173.94 1wh3 s TYR 20 N 0.28 2.64 -0.17 5.02 2.02 -0.82 -4.82 117.35 121.50 1wh3 s TYR 20 Ca -0.07 -0.20 -0.25 0.00 -0.37 0.00 0.00 57.07 56.17 1wh3 s TYR 20 Cb -0.15 -1.47 -0.01 0.00 -0.40 0.00 0.00 41.96 39.92 1wh3 s TYR 20 CO 0.05 0.31 0.82 0.00 -1.57 0.00 0.00 175.55 175.15 1wh3 s ALA 21 N -1.00 3.52 0.09 3.71 0.00 -1.26 -0.38 121.76 126.44 1wh3 s ALA 21 Ca 0.16 0.01 0.06 0.00 0.00 0.00 0.00 51.96 52.19 1wh3 s ALA 21 Cb -0.11 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1wh3 s ALA 21 CO 0.07 -0.65 -0.06 0.71 0.00 0.00 0.00 175.76 175.83 1wh3 s TYR 22 N 2.15 2.85 -0.22 0.00 1.51 0.10 -4.94 117.35 118.81 1wh3 s TYR 22 Ca 0.38 -0.09 -0.01 0.00 -1.01 0.00 0.00 57.07 56.34 1wh3 s TYR 22 Cb -0.16 -1.49 0.02 0.00 -0.11 0.00 0.00 41.96 40.21 1wh3 s TYR 22 CO 0.12 0.44 -0.12 0.00 -1.11 0.00 0.00 175.55 174.88 1wh3 s ALA 23 N -1.22 2.56 -0.25 3.71 0.00 -1.26 -1.88 121.76 123.42 1wh3 s ALA 23 Ca 0.22 -1.32 -0.12 0.00 0.00 0.00 0.00 51.96 50.74 1wh3 s ALA 23 Cb -0.11 -1.48 0.09 0.00 0.00 0.00 0.00 23.12 21.62 1wh3 s ALA 23 CO 0.15 -0.57 0.58 -1.50 0.00 0.00 0.00 175.76 174.42 1wh3 s ILE 24 N 1.33 -0.28 0.61 0.00 2.07 -1.15 -5.02 121.20 118.76 1wh3 s ILE 24 Ca 0.03 0.04 -0.18 0.00 -1.41 0.00 0.00 60.65 59.13 1wh3 s ILE 24 Cb -0.15 -0.87 -0.04 0.00 0.13 0.00 0.00 42.46 41.53 1wh3 s ILE 24 CO -0.08 0.02 1.03 0.59 -1.91 0.00 0.00 174.94 174.59 1wh3 n ASN 25 N 4.65 1.02 0.10 4.50 3.02 -1.26 -3.29 115.26 124.00 1wh3 n ASN 25 Ca -0.18 0.81 0.11 0.00 -0.03 0.00 0.00 54.58 55.28 1wh3 n ASN 25 Cb 0.55 -1.42 0.45 0.00 -0.61 0.00 0.00 39.78 38.75 1wh3 n ASN 25 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1wh3 n PRO 26 N -1.21 0.15 0.09 3.52 -0.04 -1.26 -2.57 135.00 133.68 1wh3 n PRO 26 Ca 0.14 0.39 -0.12 0.00 -0.04 0.00 0.00 63.50 63.88 1wh3 n PRO 26 Cb 0.48 -1.80 -0.08 0.00 -0.04 0.00 0.00 33.50 32.06 1wh3 n PRO 26 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1wh3 h ASN 27 N 0.00 0.30 -4.21 3.54 2.35 -2.00 -3.28 115.58 112.28 1wh3 h ASN 27 Ca 0.00 -0.29 -0.51 0.00 -0.55 0.00 0.00 56.30 54.95 1wh3 h ASN 27 Cb 0.34 -0.10 0.19 0.00 0.05 0.00 0.00 38.32 38.80 1wh3 h ASN 27 CO 0.00 1.16 0.23 -0.55 -1.65 0.00 0.00 177.43 176.62 1wh3 s SER 28 N -6.99 3.04 0.16 5.81 0.15 -1.06 -4.83 113.70 109.98 1wh3 s SER 28 Ca -0.03 2.08 -0.20 0.00 0.70 0.00 0.00 55.95 58.51 1wh3 s SER 28 Cb 0.09 -2.54 -0.08 0.00 -1.71 0.00 0.00 66.02 61.78 1wh3 s SER 28 CO 0.85 -3.01 0.67 -0.36 1.20 0.00 0.00 173.24 172.59 1wh3 s PHE 29 N -2.68 3.73 0.28 3.44 0.08 -1.26 -3.56 117.98 118.01 1wh3 s PHE 29 Ca 0.66 1.36 -0.08 0.00 0.12 0.00 0.00 56.93 58.99 1wh3 s PHE 29 Cb -0.22 -2.58 0.45 0.00 -0.57 0.00 0.00 43.02 40.09 1wh3 s PHE 29 CO 0.58 0.45 1.56 0.82 -0.10 0.00 0.00 175.22 178.53 1wh3 h ILE 30 N 3.06 0.01 -0.89 0.64 1.08 -1.69 0.46 117.51 120.19 1wh3 h ILE 30 Ca -0.48 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.21 1wh3 h ILE 30 Cb 1.20 0.01 -0.16 0.00 -3.07 0.00 0.00 36.82 34.80 1wh3 h ILE 30 CO 0.65 0.00 -0.01 0.25 -0.69 0.00 0.00 178.15 178.35 1wh3 h LEU 31 N -0.00 -0.46 -0.77 1.44 5.85 -1.77 0.36 115.31 119.96 1wh3 h LEU 31 Ca 0.47 0.24 0.14 0.00 0.84 0.00 0.00 57.88 59.58 1wh3 h LEU 31 Cb 0.72 0.43 -0.10 0.00 0.37 0.00 0.00 40.66 42.09 1wh3 h LEU 31 CO -1.01 -0.27 0.33 1.23 -0.34 0.00 0.00 178.44 178.37 1wh3 h GLY 32 N 0.06 1.19 0.98 3.75 0.00 -0.42 -1.23 103.07 107.40 1wh3 h GLY 32 Ca 0.50 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.66 1wh3 h GLY 32 CO -0.82 -0.09 0.22 -2.00 0.00 0.00 0.00 176.54 173.86 1wh3 h LEU 33 N 0.48 0.43 0.52 3.11 5.85 -0.30 -2.79 115.31 122.60 1wh3 h LEU 33 Ca 0.43 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 1wh3 h LEU 33 Cb 0.64 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1wh3 h LEU 33 CO -0.40 0.35 -0.46 0.11 -0.34 0.00 0.00 178.44 177.70 1wh3 h LYS 34 N 0.48 -0.94 -0.93 1.25 6.56 -0.88 -2.37 116.57 119.74 1wh3 h LYS 34 Ca 0.13 0.06 0.27 0.00 -1.06 0.00 0.00 60.65 60.06 1wh3 h LYS 34 Cb -0.00 0.21 -0.16 0.00 -0.57 0.00 0.00 32.23 31.71 1wh3 h LYS 34 CO -0.03 -0.63 0.25 0.37 -2.06 0.00 0.00 179.45 177.36 1wh3 h GLN 35 N -0.97 0.13 -0.84 3.15 -0.00 -1.28 0.92 115.11 116.22 1wh3 h GLN 35 Ca -0.06 -0.01 0.07 0.00 -0.00 0.00 0.00 58.65 58.66 1wh3 h GLN 35 Cb 0.84 -0.03 -0.06 0.00 0.00 0.00 0.00 27.48 28.23 1wh3 h GLN 35 CO -0.03 0.09 0.54 1.96 0.00 0.00 0.00 178.83 181.39 1wh3 h GLN 36 N 0.14 0.86 -0.44 1.69 4.20 -1.15 -1.37 115.11 119.03 1wh3 h GLN 36 Ca 0.62 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 59.18 1wh3 h GLN 36 Cb 1.33 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.90 1wh3 h GLN 36 CO -0.73 0.57 -0.12 0.82 -0.67 0.00 0.00 178.83 178.70 1wh3 h ILE 37 N 0.88 1.26 -0.48 2.54 2.04 0.11 -3.03 117.51 120.83 1wh3 h ILE 37 Ca 0.37 -1.19 0.06 0.00 1.00 0.00 0.00 64.86 65.11 1wh3 h ILE 37 Cb 0.29 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 1wh3 h ILE 37 CO -0.14 0.41 0.16 -0.08 0.00 0.00 0.00 178.15 178.50 1wh3 h GLU 38 N 0.72 0.33 0.00 2.37 4.22 -0.73 0.50 114.58 121.99 1wh3 h GLU 38 Ca 0.12 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.54 1wh3 h GLU 38 Cb 0.61 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1wh3 h GLU 38 CO 0.04 0.22 0.00 -0.25 -2.18 0.00 0.00 179.01 176.84 1wh3 n ASP 39 N -5.01 0.00 -0.02 1.04 8.00 -1.14 0.68 116.55 120.10 1wh3 n ASP 39 Ca 0.05 0.27 -0.02 0.00 0.71 0.00 0.00 54.79 55.79 1wh3 n ASP 39 Cb 0.19 -0.37 -0.01 0.00 -0.02 0.00 0.00 41.12 40.91 1wh3 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wh3 n GLN 40 N -1.37 0.12 0.15 -1.24 1.13 0.74 -4.70 117.38 112.21 1wh3 n GLN 40 Ca 0.05 0.05 0.02 0.00 -1.94 0.00 0.00 57.00 55.18 1wh3 n GLN 40 Cb 0.12 -0.66 0.12 0.00 0.11 0.00 0.00 30.24 29.93 1wh3 n GLN 40 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 1wh3 h GLN 41 N -0.23 0.00 0.00 -1.09 4.20 -0.27 -3.47 115.11 114.25 1wh3 h GLN 41 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1wh3 h GLN 41 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1wh3 h GLN 41 CO 0.00 0.52 0.00 0.41 -0.67 0.00 0.00 178.83 179.09 1wh3 n GLY 42 N 0.87 3.41 3.77 3.46 0.00 0.21 -5.04 105.19 111.88 1wh3 n GLY 42 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1wh3 n GLY 42 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wh3 s LEU 43 N 0.00 4.42 0.01 0.99 0.20 -1.25 -4.88 118.68 118.17 1wh3 s LEU 43 Ca 0.00 2.68 -0.30 0.00 0.69 0.00 0.00 54.13 57.20 1wh3 s LEU 43 Cb 0.00 -3.65 -0.06 0.00 -0.43 0.00 0.00 46.19 42.05 1wh3 s LEU 43 CO 0.00 -0.55 1.44 -2.16 -0.29 0.00 0.00 176.35 174.80 1wh3 s PRO 44 N -1.64 4.27 0.26 0.98 0.04 -1.26 -3.85 135.00 133.79 1wh3 s PRO 44 Ca 0.50 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.55 1wh3 s PRO 44 Cb -0.40 -3.58 0.55 0.00 0.04 0.00 0.00 34.50 31.12 1wh3 s PRO 44 CO 0.52 -0.60 1.72 1.57 0.04 0.00 0.00 177.00 180.25 1wh3 h LYS 45 N 7.92 0.43 -0.01 4.56 2.10 -1.89 0.38 116.57 130.06 1wh3 h LYS 45 Ca -0.39 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1wh3 h LYS 45 Cb 1.18 -0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 32.41 1wh3 h LYS 45 CO 0.91 0.29 0.58 1.57 -2.00 0.00 0.00 179.45 180.80 1wh3 h LYS 46 N 0.44 0.00 0.00 0.07 2.10 -1.97 -2.52 116.57 114.69 1wh3 h LYS 46 Ca 0.47 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 59.04 1wh3 h LYS 46 Cb 0.77 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.09 1wh3 h LYS 46 CO -0.45 0.00 -1.06 1.04 -2.00 0.00 0.00 179.45 176.99 1wh3 n GLN 47 N -2.76 0.41 -1.67 0.07 6.02 0.12 -4.98 117.38 114.60 1wh3 n GLN 47 Ca -0.01 0.17 -0.61 0.00 -0.01 0.00 0.00 57.00 56.53 1wh3 n GLN 47 Cb 0.62 -1.21 -0.08 0.00 1.02 0.00 0.00 30.24 30.58 1wh3 n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wh3 n GLN 48 N -4.16 0.49 -4.07 -1.09 10.64 -0.53 -4.11 117.38 114.55 1wh3 n GLN 48 Ca -0.17 0.18 -0.32 0.00 -1.83 0.00 0.00 57.00 54.86 1wh3 n GLN 48 Cb 0.48 -1.75 -0.15 0.00 -0.86 0.00 0.00 30.24 27.96 1wh3 n GLN 48 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 1wh3 s GLN 49 N 2.27 2.23 0.02 2.61 0.74 -1.19 -4.87 119.66 121.48 1wh3 s GLN 49 Ca 0.98 -1.34 -0.16 0.00 0.05 0.00 0.00 55.36 54.88 1wh3 s GLN 49 Cb -1.26 -2.88 -0.06 0.00 1.10 0.00 0.00 33.01 29.91 1wh3 s GLN 49 CO 0.68 -0.57 0.46 -0.51 -0.55 0.00 0.00 175.29 174.80 1wh3 s LEU 50 N 1.11 4.48 0.22 3.68 1.43 -1.26 -2.72 118.68 125.62 1wh3 s LEU 50 Ca -0.09 1.05 0.08 0.00 -1.03 0.00 0.00 54.13 54.14 1wh3 s LEU 50 Cb -0.20 -2.69 -0.05 0.00 0.03 0.00 0.00 46.19 43.28 1wh3 s LEU 50 CO -0.05 0.29 -0.13 -1.61 0.23 0.00 0.00 176.35 175.08 1wh3 s GLU 51 N -0.98 1.38 -0.17 1.70 2.02 -0.86 -3.01 118.70 118.78 1wh3 s GLU 51 Ca 0.25 -1.63 -0.05 0.00 0.02 0.00 0.00 54.97 53.57 1wh3 s GLU 51 Cb -0.17 -1.13 0.07 0.00 0.10 0.00 0.00 34.13 32.99 1wh3 s GLU 51 CO 0.15 0.16 0.12 0.12 0.02 0.00 0.00 175.26 175.83 1wh3 s PHE 52 N -2.98 0.05 -1.54 1.61 5.36 -0.81 -3.13 117.98 116.54 1wh3 s PHE 52 Ca 0.24 -0.11 -0.04 0.00 -0.96 0.00 0.00 56.93 56.06 1wh3 s PHE 52 Cb 0.00 -0.58 0.01 0.00 -0.34 0.00 0.00 43.02 42.11 1wh3 s PHE 52 CO 0.08 -0.51 0.45 1.04 -1.46 0.00 0.00 175.22 174.83 1wh3 n GLN 53 N 5.29 -4.01 -2.41 10.12 1.13 -1.26 -2.27 117.38 123.97 1wh3 n GLN 53 Ca -0.06 0.86 0.00 0.00 -1.94 0.00 0.00 57.00 55.85 1wh3 n GLN 53 Cb 0.49 -5.65 0.00 0.00 0.11 0.00 0.00 30.24 25.19 1wh3 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wh3 n GLY 54 N -1.35 0.91 3.08 1.08 0.00 -1.26 -5.08 105.19 102.57 1wh3 n GLY 54 Ca -0.13 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.10 1wh3 n GLY 54 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wh3 s GLN 55 N -4.82 0.60 -0.40 1.61 -0.21 -0.96 -5.12 119.66 110.36 1wh3 s GLN 55 Ca 0.00 -0.77 -0.16 0.00 0.02 0.00 0.00 55.36 54.44 1wh3 s GLN 55 Cb 0.00 -0.44 0.01 0.00 1.00 0.00 0.00 33.01 33.58 1wh3 s GLN 55 CO 0.00 0.09 0.40 0.08 -2.12 0.00 0.00 175.29 173.74 1wh3 s VAL 56 N -1.28 5.13 -0.10 1.09 1.01 -1.26 -1.93 120.40 123.06 1wh3 s VAL 56 Ca -0.07 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 1wh3 s VAL 56 Cb -0.10 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 1wh3 s VAL 56 CO 0.01 -0.31 1.18 -0.76 0.00 0.00 0.00 175.10 175.21 1wh3 s LEU 57 N 2.04 4.24 0.00 3.92 1.43 -1.16 -5.03 118.68 124.11 1wh3 s LEU 57 Ca 0.11 1.71 -0.05 0.00 -1.03 0.00 0.00 54.13 54.87 1wh3 s LEU 57 Cb -0.17 -3.55 0.13 0.00 0.03 0.00 0.00 46.19 42.62 1wh3 s LEU 57 CO 0.13 -0.61 0.80 0.00 0.23 0.00 0.00 176.35 176.89 1wh3 n GLN 58 N 5.59 -0.34 -0.07 1.70 1.13 -1.26 -4.84 117.38 119.29 1wh3 n GLN 58 Ca 0.11 -1.69 -0.20 0.00 -1.94 0.00 0.00 57.00 53.29 1wh3 n GLN 58 Cb 0.46 -0.68 -0.13 0.00 0.11 0.00 0.00 30.24 30.00 1wh3 n GLN 58 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1wh3 n ASP 59 N -3.23 2.04 -0.07 1.08 5.75 -1.26 -4.16 116.55 116.70 1wh3 n ASP 59 Ca 0.12 0.04 0.01 0.00 -0.01 0.00 0.00 54.79 54.95 1wh3 n ASP 59 Cb 0.41 -0.64 0.02 0.00 -1.03 0.00 0.00 41.12 39.88 1wh3 n ASP 59 CO 0.00 0.00 0.00 -2.67 -0.11 0.00 0.00 177.20 174.42 1wh3 n TRP 60 N -3.43 0.05 -3.74 2.11 2.14 -1.26 -3.95 117.44 109.36 1wh3 n TRP 60 Ca -0.40 -0.02 -0.36 0.00 2.07 0.00 0.00 57.50 58.78 1wh3 n TRP 60 Cb 1.00 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 31.40 1wh3 n TRP 60 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1wh3 s LEU 61 N -1.01 5.26 1.03 5.67 1.43 -1.26 -5.04 118.68 124.76 1wh3 s LEU 61 Ca 0.03 -2.45 -0.20 0.00 -1.03 0.00 0.00 54.13 50.47 1wh3 s LEU 61 Cb 0.01 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 1wh3 s LEU 61 CO 0.02 -0.46 -0.56 0.61 0.23 0.00 0.00 176.35 176.19 1wh3 n GLY 62 N 4.03 -2.97 0.20 -3.19 0.00 -1.26 -3.98 105.19 98.02 1wh3 n GLY 62 Ca 0.03 -0.57 -0.07 0.00 0.00 0.00 0.00 46.02 45.40 1wh3 n GLY 62 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wh3 h LEU 63 N -1.45 0.56 -0.86 0.99 4.07 -1.65 -2.72 115.31 114.25 1wh3 h LEU 63 Ca -0.46 -0.03 -0.03 0.00 0.08 0.00 0.00 57.88 57.45 1wh3 h LEU 63 Cb 1.35 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 42.91 1wh3 h LEU 63 CO 0.29 0.42 0.42 1.23 -1.08 0.00 0.00 178.44 179.72 1wh3 h GLY 64 N 0.65 1.32 -0.88 0.83 0.00 -1.89 -2.73 103.07 100.36 1wh3 h GLY 64 Ca 0.18 -0.65 0.32 0.00 0.00 0.00 0.00 47.33 47.18 1wh3 h GLY 64 CO -0.04 0.62 0.30 1.39 0.00 0.00 0.00 176.54 178.81 1wh3 n ILE 65 N -4.31 -0.37 0.05 2.60 2.08 -1.02 0.84 119.36 119.22 1wh3 n ILE 65 Ca 0.09 1.85 -0.19 0.00 0.56 0.00 0.00 62.75 65.06 1wh3 n ILE 65 Cb 0.14 -2.89 -0.14 0.00 -0.75 0.00 0.00 39.64 36.00 1wh3 n ILE 65 CO 0.00 0.00 0.00 1.88 0.56 0.00 0.00 176.55 178.99 1wh3 h TYR 66 N 0.00 0.50 0.00 1.39 0.05 -1.62 -3.49 116.97 113.80 1wh3 h TYR 66 Ca 0.67 -0.36 0.00 0.00 0.05 0.00 0.00 58.73 59.09 1wh3 h TYR 66 Cb 1.65 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 39.37 1wh3 h TYR 66 CO -0.18 1.52 0.00 0.41 -1.05 0.00 0.00 178.16 178.86 1wh3 n GLY 67 N 1.79 1.89 3.76 3.88 0.00 0.25 -5.07 105.19 111.67 1wh3 n GLY 67 Ca -0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 1wh3 n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wh3 s ILE 68 N -2.00 2.06 0.27 -0.61 1.01 -1.20 -5.01 121.20 115.73 1wh3 s ILE 68 Ca 0.00 0.06 0.08 0.00 0.00 0.00 0.00 60.65 60.79 1wh3 s ILE 68 Cb 0.00 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 1wh3 s ILE 68 CO 0.00 0.01 0.12 -1.10 0.00 0.00 0.00 174.94 173.97 1wh3 s GLN 69 N -0.95 2.61 0.68 2.79 -1.52 -1.26 -4.87 119.66 117.13 1wh3 s GLN 69 Ca 0.60 -1.26 -0.16 0.00 -1.95 0.00 0.00 55.36 52.58 1wh3 s GLN 69 Cb -0.47 -2.36 0.01 0.00 -0.22 0.00 0.00 33.01 29.97 1wh3 s GLN 69 CO 0.52 0.34 1.23 0.16 -0.25 0.00 0.00 175.29 177.29 1wh3 s ASP 70 N -3.79 4.51 -1.25 5.90 -4.77 -1.26 -2.94 116.67 113.07 1wh3 s ASP 70 Ca 0.33 2.42 0.00 0.00 -3.30 0.00 0.00 52.55 52.01 1wh3 s ASP 70 Cb -0.07 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.17 1wh3 s ASP 70 CO 0.23 -2.05 0.00 -1.20 0.70 0.00 0.00 175.17 172.84 1wh3 n SER 71 N -2.29 -4.43 -4.93 2.11 7.64 0.14 -4.95 113.62 106.91 1wh3 n SER 71 Ca 0.14 0.01 -0.25 0.00 1.01 0.00 0.00 58.87 59.77 1wh3 n SER 71 Cb 0.50 -3.56 0.01 0.00 -1.01 0.00 0.00 64.21 60.14 1wh3 n SER 71 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1wh3 s ASP 72 N -2.37 5.95 -0.06 6.43 1.11 -1.15 -4.90 116.67 121.67 1wh3 s ASP 72 Ca 0.00 0.61 0.02 0.00 0.18 0.00 0.00 52.55 53.36 1wh3 s ASP 72 Cb 0.00 -1.85 -0.03 0.00 1.07 0.00 0.00 42.92 42.11 1wh3 s ASP 72 CO 0.00 -0.72 -0.11 -0.89 1.18 0.00 0.00 175.17 174.64 1wh3 s THR 73 N -2.70 3.38 -0.05 -1.27 2.01 -1.26 -0.71 115.64 115.04 1wh3 s THR 73 Ca 0.49 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 61.91 1wh3 s THR 73 Cb -0.10 -2.35 0.01 0.00 0.01 0.00 0.00 72.50 70.06 1wh3 s THR 73 CO 0.42 0.59 -0.13 -0.76 -0.69 0.00 0.00 174.62 174.05 1wh3 s LEU 74 N -0.75 1.78 -0.10 4.42 1.43 0.44 -4.84 118.68 121.05 1wh3 s LEU 74 Ca 0.11 -0.30 -0.14 0.00 -1.03 0.00 0.00 54.13 52.78 1wh3 s LEU 74 Cb -0.11 -0.83 -0.05 0.00 0.03 0.00 0.00 46.19 45.23 1wh3 s LEU 74 CO 0.01 0.08 0.33 -0.63 0.23 0.00 0.00 176.35 176.37 1wh3 s ILE 75 N 0.34 5.24 -0.08 -0.59 -1.09 -1.18 -0.67 121.20 123.17 1wh3 s ILE 75 Ca -0.08 0.64 -0.00 0.00 -2.23 0.00 0.00 60.65 58.97 1wh3 s ILE 75 Cb -0.13 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.07 1wh3 s ILE 75 CO 0.03 0.46 -0.04 -0.22 -1.23 0.00 0.00 174.94 173.93 1wh3 s LEU 76 N -0.13 3.30 -0.05 2.97 2.96 -0.15 -2.03 118.68 125.55 1wh3 s LEU 76 Ca 0.19 0.02 -0.01 0.00 -0.22 0.00 0.00 54.13 54.11 1wh3 s LEU 76 Cb -0.14 -1.74 0.03 0.00 0.50 0.00 0.00 46.19 44.84 1wh3 s LEU 76 CO 0.07 0.35 0.03 -0.94 -1.32 0.00 0.00 176.35 174.54 1wh3 s SER 77 N -0.72 1.13 -0.34 3.68 1.04 -1.10 -3.54 113.70 113.85 1wh3 s SER 77 Ca 0.11 0.01 -0.29 0.00 0.48 0.00 0.00 55.95 56.26 1wh3 s SER 77 Cb -0.11 -0.25 -0.01 0.00 0.10 0.00 0.00 66.02 65.74 1wh3 s SER 77 CO 0.02 -0.20 1.63 -0.75 0.98 0.00 0.00 173.24 174.92 1wh3 s LYS 78 N 1.87 3.50 -0.78 4.02 2.36 -1.26 -3.14 119.74 126.31 1wh3 s LYS 78 Ca 0.02 1.30 -0.31 0.00 -2.55 0.00 0.00 55.97 54.43 1wh3 s LYS 78 Cb -0.12 -4.11 -0.17 0.00 -1.05 0.00 0.00 37.83 32.38 1wh3 s LYS 78 CO -0.04 -1.65 2.54 1.63 1.55 0.00 0.00 175.35 179.38 1wh3 n LYS 79 N 8.17 0.35 -1.51 4.03 4.76 -1.26 -4.75 118.16 127.95 1wh3 n LYS 79 Ca 0.20 0.02 -0.44 0.00 -2.87 0.00 0.00 58.31 55.22 1wh3 n LYS 79 Cb 0.47 -2.06 -0.06 0.00 -1.84 0.00 0.00 35.03 31.54 1wh3 n LYS 79 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1wh3 n LYS 80 N 8.51 1.13 0.00 1.97 0.00 -1.26 -4.62 118.16 123.90 1wh3 n LYS 80 Ca 0.56 0.23 0.00 0.00 0.00 0.00 0.00 58.31 59.10 1wh3 n LYS 80 Cb 0.17 -2.78 0.00 0.00 0.00 0.00 0.00 35.03 32.41 1wh3 n LYS 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wh3 n GLY 81 N 6.24 0.31 3.31 3.14 0.00 -1.26 -5.09 105.19 111.84 1wh3 n GLY 81 Ca 0.41 -2.31 -0.23 0.00 0.00 0.00 0.00 46.02 43.89 1wh3 n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wh3 s SER 82 N -0.99 2.62 -0.02 1.61 1.04 -1.26 -5.15 113.70 111.54 1wh3 s SER 82 Ca 0.00 -0.78 -0.06 0.00 0.48 0.00 0.00 55.95 55.59 1wh3 s SER 82 Cb 0.00 -0.15 0.01 0.00 0.10 0.00 0.00 66.02 65.98 1wh3 s SER 82 CO 0.00 0.01 0.14 -0.83 0.98 0.00 0.00 173.24 173.54 1wh3 s GLY 83 N -2.29 -0.01 0.54 7.32 0.00 -1.26 -5.15 107.32 106.46 1wh3 s GLY 83 Ca 0.11 0.09 -0.20 0.00 0.00 0.00 0.00 44.72 44.72 1wh3 s GLY 83 CO 0.05 -0.01 1.13 2.56 0.00 0.00 0.00 173.10 176.83 1wh3 s PRO 84 N -0.75 3.36 0.23 2.90 0.04 -1.26 -5.06 135.00 134.47 1wh3 s PRO 84 Ca -0.08 1.62 -0.17 0.00 0.04 0.00 0.00 61.00 62.40 1wh3 s PRO 84 Cb -0.05 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.50 1wh3 s PRO 84 CO 0.01 -0.84 0.57 -1.54 0.04 0.00 0.00 177.00 175.23 1wh3 s SER 85 N -1.76 -0.23 0.26 6.66 1.04 -1.26 -5.19 113.70 113.23 1wh3 s SER 85 Ca 0.73 -0.61 -0.19 0.00 0.48 0.00 0.00 55.95 56.35 1wh3 s SER 85 Cb -0.24 0.62 0.02 0.00 0.10 0.00 0.00 66.02 66.52 1wh3 s SER 85 CO 0.27 -1.15 0.65 -0.44 0.98 0.00 0.00 173.24 173.55 1wh3 s SER 86 N -2.92 -0.25 0.00 7.02 0.01 -1.26 -5.33 113.70 110.98 1wh3 s SER 86 Ca 0.13 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.77 1wh3 s SER 86 Cb -0.02 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.89 1wh3 s SER 86 CO 0.02 -1.26 0.36 0.61 0.41 0.00 0.00 173.24 173.38