#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yyx s PRO 2 N 0.00 3.12 0.02 0.00 0.04 -1.26 -5.01 135.00 131.91 2yyx s PRO 2 Ca 0.00 2.17 -0.00 0.00 0.04 0.00 0.00 61.00 63.21 2yyx s PRO 2 Cb 0.00 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 2yyx s PRO 2 CO 0.00 -1.18 0.12 0.15 0.04 0.00 0.00 177.00 176.12 2yyx s LYS 3 N -2.95 3.14 0.29 4.56 1.02 -1.26 -5.08 119.74 119.46 2yyx s LYS 3 Ca 0.72 -0.49 -0.29 0.00 0.02 0.00 0.00 55.97 55.93 2yyx s LYS 3 Cb -0.39 -2.90 -0.10 0.00 -0.52 0.00 0.00 37.83 33.92 2yyx s LYS 3 CO 0.45 0.63 1.42 0.00 -0.92 0.00 0.00 175.35 176.93 2yyx s ALA 4 N -1.29 3.59 0.93 5.17 0.00 -1.26 -5.00 121.76 123.90 2yyx s ALA 4 Ca 0.26 1.35 -0.14 0.00 0.00 0.00 0.00 51.96 53.43 2yyx s ALA 4 Cb -0.12 -3.55 0.16 0.00 0.00 0.00 0.00 23.12 19.61 2yyx s ALA 4 CO 0.18 -0.76 1.21 -1.25 0.00 0.00 0.00 175.76 175.13 2yyx s PRO 5 N -0.94 0.94 0.71 0.00 0.04 -1.26 -5.01 135.00 129.48 2yyx s PRO 5 Ca 0.56 -0.02 -0.16 0.00 0.04 0.00 0.00 61.00 61.41 2yyx s PRO 5 Cb -0.42 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.29 2yyx s PRO 5 CO 0.48 -2.27 1.15 0.00 0.04 0.00 0.00 177.00 176.40 2yyx n ALA 6 N -3.75 0.37 -0.62 8.56 0.00 -1.26 -4.69 120.51 119.12 2yyx n ALA 6 Ca 0.10 -0.14 -0.30 0.00 0.00 0.00 0.00 53.44 53.10 2yyx n ALA 6 Cb 0.60 -2.23 0.20 0.00 0.00 0.00 0.00 19.45 18.01 2yyx n ALA 6 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2yyx n ASP 7 N -2.11 -0.68 0.00 0.00 8.00 -1.26 -4.13 116.55 116.36 2yyx n ASP 7 Ca 0.14 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.84 2yyx n ASP 7 Cb 0.49 -1.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 2yyx n ASP 7 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2yyx n GLY 8 N 0.70 0.49 3.72 0.44 0.00 -1.24 -5.01 105.19 104.28 2yyx n GLY 8 Ca 0.08 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 2yyx n GLY 8 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2yyx s LEU 9 N 0.00 4.38 -0.22 0.99 0.20 -0.97 -4.82 118.68 118.25 2yyx s LEU 9 Ca 0.00 2.30 -0.11 0.00 0.69 0.00 0.00 54.13 57.01 2yyx s LEU 9 Cb 0.00 -3.59 -0.05 0.00 -0.43 0.00 0.00 46.19 42.12 2yyx s LEU 9 CO 0.00 -0.62 0.17 -0.75 -0.29 0.00 0.00 176.35 174.86 2yyx s LYS 10 N 0.95 4.13 -0.30 1.98 2.47 -1.26 -0.51 119.74 127.19 2yyx s LYS 10 Ca 0.63 -0.20 -0.18 0.00 -1.56 0.00 0.00 55.97 54.65 2yyx s LYS 10 Cb -0.36 -3.49 -0.02 0.00 -1.46 0.00 0.00 37.83 32.51 2yyx s LYS 10 CO 0.31 0.15 0.52 -1.64 0.16 0.00 0.00 175.35 174.85 2yyx s MET 11 N 0.78 3.86 -0.22 4.03 -1.94 0.47 -4.93 119.30 121.35 2yyx s MET 11 Ca 0.09 0.10 0.21 0.00 -1.71 0.00 0.00 55.69 54.37 2yyx s MET 11 Cb -0.13 -3.73 0.46 0.00 2.01 0.00 0.00 34.83 33.45 2yyx s MET 11 CO 0.02 -0.50 1.19 -0.40 -0.01 0.00 0.00 175.02 175.32 2yyx n ASP 12 N 5.66 0.90 0.12 3.03 5.68 -1.26 -1.11 116.55 129.57 2yyx n ASP 12 Ca -0.04 -2.05 0.13 0.00 -0.50 0.00 0.00 54.79 52.33 2yyx n ASP 12 Cb 0.49 -0.24 0.45 0.00 -1.14 0.00 0.00 41.12 40.68 2yyx n ASP 12 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2yyx n LYS 13 N -0.56 0.24 -4.67 0.11 4.76 -1.26 -4.90 118.16 111.88 2yyx n LYS 13 Ca 0.02 0.32 -0.30 0.00 -2.87 0.00 0.00 58.31 55.47 2yyx n LYS 13 Cb 0.86 -1.85 -0.08 0.00 -1.84 0.00 0.00 35.03 32.12 2yyx n LYS 13 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2yyx s THR 14 N -3.21 1.13 -2.01 -0.18 -4.23 -1.26 -5.02 115.64 100.86 2yyx s THR 14 Ca 0.07 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.75 2yyx s THR 14 Cb 0.11 -2.34 0.46 0.00 1.34 0.00 0.00 72.50 72.07 2yyx s THR 14 CO 0.50 0.00 1.62 0.29 -0.54 0.00 0.00 174.62 176.49 2yyx n LYS 15 N -1.12 1.02 -3.22 3.99 5.02 -1.26 -3.93 118.16 118.66 2yyx n LYS 15 Ca -0.14 -0.03 -0.26 0.00 -2.02 0.00 0.00 58.31 55.86 2yyx n LYS 15 Cb 0.66 -1.26 -0.06 0.00 -0.02 0.00 0.00 35.03 34.36 2yyx n LYS 15 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2yyx n GLN 16 N -0.72 2.35 -1.93 1.97 1.13 -1.26 -5.11 117.38 113.82 2yyx n GLN 16 Ca 0.12 -4.41 -0.35 0.00 -1.94 0.00 0.00 57.00 50.42 2yyx n GLN 16 Cb 0.06 -2.06 0.04 0.00 0.11 0.00 0.00 30.24 28.39 2yyx n GLN 16 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2yyx s PRO 17 N -2.60 2.91 0.00 -1.09 0.04 -1.25 -5.00 135.00 128.01 2yyx s PRO 17 Ca 0.42 1.65 0.03 0.00 0.04 0.00 0.00 61.00 63.13 2yyx s PRO 17 Cb 0.21 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.80 2yyx s PRO 17 CO -0.07 -1.21 -0.08 0.08 0.04 0.00 0.00 177.00 175.76 2yyx s VAL 18 N -1.89 0.66 -0.11 -0.36 1.01 -0.27 -4.89 120.40 114.55 2yyx s VAL 18 Ca 0.73 -0.44 -0.19 0.00 0.00 0.00 0.00 61.98 62.08 2yyx s VAL 18 Cb -0.26 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 2yyx s VAL 18 CO 0.35 0.13 0.51 -0.69 0.00 0.00 0.00 175.10 175.40 2yyx s VAL 19 N -0.32 5.16 -0.15 2.92 1.01 -1.26 -0.39 120.40 127.37 2yyx s VAL 19 Ca 0.02 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.04 2yyx s VAL 19 Cb -0.04 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 2yyx s VAL 19 CO -0.00 0.32 -0.15 0.12 0.00 0.00 0.00 175.10 175.39 2yyx s PHE 20 N 0.62 2.78 -0.30 5.22 5.36 0.34 -4.95 117.98 127.06 2yyx s PHE 20 Ca 0.28 -0.92 -0.07 0.00 -0.96 0.00 0.00 56.93 55.26 2yyx s PHE 20 Cb -0.16 -1.87 0.01 0.00 -0.34 0.00 0.00 43.02 40.66 2yyx s PHE 20 CO 0.12 -0.40 0.08 -0.80 -1.46 0.00 0.00 175.22 172.76 2yyx s ASN 21 N 0.68 5.13 0.36 6.13 0.01 -1.26 -2.28 114.94 123.71 2yyx s ASN 21 Ca -0.07 -0.74 0.04 0.00 -0.71 0.00 0.00 52.86 51.37 2yyx s ASN 21 Cb -0.16 -1.88 0.66 0.00 0.41 0.00 0.00 41.25 40.29 2yyx s ASN 21 CO 0.02 -0.20 1.97 0.45 -1.51 0.00 0.00 177.10 177.83 2yyx h HIS 22 N 8.23 0.67 -0.32 2.20 3.86 -1.83 -3.12 115.15 124.84 2yyx h HIS 22 Ca -0.31 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 58.83 2yyx h HIS 22 Cb 1.12 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 29.36 2yyx h HIS 22 CO 0.61 0.49 -0.06 0.66 0.86 0.00 0.00 177.93 180.48 2yyx h SER 23 N 0.68 0.49 0.77 2.45 4.64 -1.94 -0.47 113.55 120.17 2yyx h SER 23 Ca 0.17 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2yyx h SER 23 Cb 0.06 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2yyx h SER 23 CO -0.03 0.60 0.00 0.35 -0.87 0.00 0.00 176.83 176.89 2yyx n THR 24 N -4.24 0.48 -0.59 2.95 -2.24 -1.18 -2.85 114.28 106.60 2yyx n THR 24 Ca 0.01 0.12 0.07 0.00 -2.27 0.00 0.00 64.05 61.98 2yyx n THR 24 Cb 0.28 -0.74 0.21 0.00 -2.10 0.00 0.00 70.33 67.99 2yyx n THR 24 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2yyx n HIS 25 N -1.51 0.74 0.31 4.78 8.25 -0.21 -4.74 115.22 122.84 2yyx n HIS 25 Ca 0.05 -0.69 0.16 0.00 -0.26 0.00 0.00 57.72 56.99 2yyx n HIS 25 Cb 0.26 -0.18 0.71 0.00 1.12 0.00 0.00 29.99 31.90 2yyx n HIS 25 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 2yyx h LYS 26 N 2.00 0.00 0.00 -0.41 2.10 -1.33 -0.67 116.57 118.26 2yyx h LYS 26 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2yyx h LYS 26 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2yyx h LYS 26 CO 0.12 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.57 2yyx n ALA 27 N -1.97 2.26 -2.62 0.07 0.00 -1.26 -4.74 120.51 112.25 2yyx n ALA 27 Ca 0.00 -0.04 -0.39 0.00 0.00 0.00 0.00 53.44 53.01 2yyx n ALA 27 Cb 0.22 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.16 2yyx n ALA 27 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2yyx s VAL 28 N -3.07 5.01 0.39 0.00 1.01 -0.26 -5.04 120.40 118.44 2yyx s VAL 28 Ca 0.11 1.27 -0.27 0.00 0.00 0.00 0.00 61.98 63.09 2yyx s VAL 28 Cb 0.14 -3.95 -0.10 0.00 0.00 0.00 0.00 36.38 32.47 2yyx s VAL 28 CO 0.56 0.33 1.42 -0.75 0.00 0.00 0.00 175.10 176.67 2yyx s LYS 29 N 0.35 4.02 0.26 2.72 2.20 -1.26 -4.90 119.74 123.13 2yyx s LYS 29 Ca 0.33 2.44 -0.02 0.00 -0.36 0.00 0.00 55.97 58.35 2yyx s LYS 29 Cb -0.17 -2.88 0.51 0.00 -1.51 0.00 0.00 37.83 33.77 2yyx s LYS 29 CO 0.16 -0.55 1.75 0.00 -0.36 0.00 0.00 175.35 176.35 2yyx n GLY 31 N -1.32 -1.11 0.18 0.00 0.00 -1.26 -1.07 105.19 100.61 2yyx n GLY 31 Ca 0.16 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 46.16 2yyx n GLY 31 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2yyx h ASP 32 N 0.00 0.00 0.00 1.61 5.19 -1.59 -3.25 116.42 118.38 2yyx h ASP 32 Ca 0.00 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.09 2yyx h ASP 32 Cb 0.31 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.77 2yyx h ASP 32 CO 0.00 0.39 -2.04 0.00 -3.12 0.00 0.00 179.24 174.47 2yyx n HIS 34 N -4.26 3.45 -1.77 0.00 8.25 -0.23 -4.97 115.22 115.69 2yyx n HIS 34 Ca -0.41 -2.91 -0.30 0.00 -0.26 0.00 0.00 57.72 53.84 2yyx n HIS 34 Cb 0.76 -2.26 0.05 0.00 1.12 0.00 0.00 29.99 29.66 2yyx n HIS 34 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2yyx s HIS 35 N 1.88 3.24 0.41 4.41 -0.00 -1.23 -3.31 115.29 120.70 2yyx s HIS 35 Ca 0.44 1.15 -0.27 0.00 -0.00 0.00 0.00 55.06 56.38 2yyx s HIS 35 Cb 0.10 -3.01 -0.10 0.00 -0.00 0.00 0.00 32.58 29.58 2yyx s HIS 35 CO -0.03 -1.25 1.46 -2.14 -0.00 0.00 0.00 174.74 172.78 2yyx s PRO 36 N -5.25 3.89 -0.04 -0.38 0.02 -1.26 -1.50 135.00 130.48 2yyx s PRO 36 Ca 0.58 2.50 0.00 0.00 0.02 0.00 0.00 61.00 64.11 2yyx s PRO 36 Cb -0.12 -2.81 0.02 0.00 0.02 0.00 0.00 34.50 31.61 2yyx s PRO 36 CO 0.53 -0.68 -0.02 0.08 -0.33 0.00 0.00 177.00 176.58 2yyx s VAL 37 N -1.16 0.38 -1.34 3.83 1.01 0.00 -4.78 120.40 118.35 2yyx s VAL 37 Ca 0.57 -0.01 -0.06 0.00 0.00 0.00 0.00 61.98 62.48 2yyx s VAL 37 Cb -0.45 -0.45 0.04 0.00 0.00 0.00 0.00 36.38 35.51 2yyx s VAL 37 CO 0.60 0.20 0.42 0.59 0.00 0.00 0.00 175.10 176.91 2yyx n ASN 38 N 4.24 -4.51 0.00 3.32 3.02 -1.26 -1.74 115.26 118.32 2yyx n ASN 38 Ca -0.23 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.08 2yyx n ASN 38 Cb 0.51 -3.72 0.00 0.00 -0.61 0.00 0.00 39.78 35.96 2yyx n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yyx n GLY 39 N -1.21 0.55 2.83 7.41 0.00 -1.26 -5.03 105.19 108.49 2yyx n GLY 39 Ca -0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 2yyx n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yyx s LYS 40 N -0.07 0.42 0.17 1.61 1.02 -0.71 -5.01 119.74 117.17 2yyx s LYS 40 Ca 0.00 0.04 -0.33 0.00 0.02 0.00 0.00 55.97 55.69 2yyx s LYS 40 Cb 0.00 -0.57 -0.15 0.00 -0.52 0.00 0.00 37.83 36.59 2yyx s LYS 40 CO 0.00 -0.13 1.39 0.39 -0.92 0.00 0.00 175.35 176.09 2yyx n GLU 41 N 4.14 1.70 -4.01 1.68 1.02 -1.26 -0.82 120.64 123.10 2yyx n GLU 41 Ca -0.26 0.61 -0.35 0.00 -0.02 0.00 0.00 57.16 57.15 2yyx n GLU 41 Cb 0.50 -2.26 -0.14 0.00 -0.02 0.00 0.00 31.44 29.52 2yyx n GLU 41 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2yyx s ASP 42 N 0.45 4.20 -0.10 1.62 -1.08 -0.56 -4.86 116.67 116.33 2yyx s ASP 42 Ca 0.76 -0.40 0.19 0.00 -0.52 0.00 0.00 52.55 52.58 2yyx s ASP 42 Cb -0.76 -1.71 0.71 0.00 -1.46 0.00 0.00 42.92 39.69 2yyx s ASP 42 CO 0.46 0.00 1.61 -1.22 0.52 0.00 0.00 175.17 176.55 2yyx n TYR 43 N 4.64 1.41 -1.54 -5.34 4.01 -1.26 -4.08 117.16 115.00 2yyx n TYR 43 Ca -0.18 -0.60 -0.30 0.00 -0.16 0.00 0.00 57.90 56.65 2yyx n TYR 43 Cb 0.51 -0.22 0.09 0.00 -0.31 0.00 0.00 39.34 39.41 2yyx n TYR 43 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2yyx s GLN 44 N -1.76 2.13 0.41 -0.72 -0.21 -1.26 -4.97 119.66 113.28 2yyx s GLN 44 Ca 0.50 0.68 -0.26 0.00 0.02 0.00 0.00 55.36 56.31 2yyx s GLN 44 Cb 0.32 -1.92 -0.10 0.00 1.00 0.00 0.00 33.01 32.31 2yyx s GLN 44 CO 0.25 -1.60 1.27 1.63 -2.12 0.00 0.00 175.29 174.72 2yyx n LYS 45 N -3.42 1.95 0.24 2.91 5.02 -1.26 -4.86 118.16 118.73 2yyx n LYS 45 Ca 0.07 0.69 0.08 0.00 -2.02 0.00 0.00 58.31 57.13 2yyx n LYS 45 Cb 0.56 -2.38 0.59 0.00 -0.02 0.00 0.00 35.03 33.78 2yyx n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2yyx n ALA 47 N -2.46 3.56 -1.52 0.00 0.00 -1.26 -0.95 120.51 117.88 2yyx n ALA 47 Ca -0.02 -1.72 -0.41 0.00 0.00 0.00 0.00 53.44 51.29 2yyx n ALA 47 Cb 0.21 -1.09 0.01 0.00 0.00 0.00 0.00 19.45 18.59 2yyx n ALA 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2yyx n THR 48 N 0.78 2.15 -1.61 0.00 -1.04 -0.76 -4.31 114.28 109.50 2yyx n THR 48 Ca 0.26 -0.50 -0.49 0.00 -2.04 0.00 0.00 64.05 61.28 2yyx n THR 48 Cb 1.05 -0.79 -0.05 0.00 -1.82 0.00 0.00 70.33 68.73 2yyx n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2yyx n ALA 49 N -0.83 -0.32 -0.03 2.41 0.00 -1.26 -0.45 120.51 120.02 2yyx n ALA 49 Ca 0.11 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.02 2yyx n ALA 49 Cb 0.40 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.73 2yyx n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yyx n GLY 50 N 2.39 1.85 0.00 0.00 0.00 -1.26 -4.97 105.19 103.20 2yyx n GLY 50 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2yyx n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yyx n HIS 52 N 0.00 2.60 0.02 0.00 8.25 -0.13 -4.32 115.22 121.64 2yyx n HIS 52 Ca 0.00 -2.68 0.11 0.00 -0.26 0.00 0.00 57.72 54.89 2yyx n HIS 52 Cb 0.00 -1.55 0.24 0.00 1.12 0.00 0.00 29.99 29.80 2yyx n HIS 52 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2yyx n ASP 53 N 1.77 3.53 -4.51 0.41 5.68 -0.87 -4.11 116.55 118.45 2yyx n ASP 53 Ca 0.42 -1.97 -0.43 0.00 -0.50 0.00 0.00 54.79 52.31 2yyx n ASP 53 Cb 0.30 -0.32 -0.06 0.00 -1.14 0.00 0.00 41.12 39.90 2yyx n ASP 53 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 2yyx s ASN 54 N -1.23 6.33 -0.04 -1.12 3.84 0.45 -4.91 114.94 118.26 2yyx s ASN 54 Ca 0.40 -0.37 0.10 0.00 0.21 0.00 0.00 52.86 53.19 2yyx s ASN 54 Cb 0.22 -2.34 0.35 0.00 -0.55 0.00 0.00 41.25 38.93 2yyx s ASN 54 CO 0.30 -0.88 1.21 0.23 -2.79 0.00 0.00 177.10 175.17 2yyx n MET 55 N 6.48 2.22 -2.90 0.43 2.81 -1.26 -1.78 117.12 123.13 2yyx n MET 55 Ca -0.01 -1.38 -0.42 0.00 -1.81 0.00 0.00 57.70 54.08 2yyx n MET 55 Cb 0.48 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.44 2yyx n MET 55 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2yyx s ASP 56 N -0.77 6.68 0.00 7.83 -1.08 -1.26 -4.94 116.67 123.13 2yyx s ASP 56 Ca 0.25 0.67 0.24 0.00 -0.52 0.00 0.00 52.55 53.18 2yyx s ASP 56 Cb 0.15 -2.43 1.30 0.00 -1.46 0.00 0.00 42.92 40.48 2yyx s ASP 56 CO 0.13 -0.68 1.78 2.29 0.52 0.00 0.00 175.17 179.21 2yyx n LYS 57 N 6.35 0.53 0.00 4.34 2.85 -1.26 -1.53 118.16 129.44 2yyx n LYS 57 Ca 0.05 0.04 0.11 0.00 -1.05 0.00 0.00 58.31 57.45 2yyx n LYS 57 Cb 0.48 -1.50 0.05 0.00 -0.65 0.00 0.00 35.03 33.41 2yyx n LYS 57 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2yyx n LYS 58 N -1.15 0.18 -2.03 -1.58 5.02 -1.26 -4.63 118.16 112.71 2yyx n LYS 58 Ca 0.14 -0.13 -0.41 0.00 -2.02 0.00 0.00 58.31 55.89 2yyx n LYS 58 Cb 0.13 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.63 2yyx n LYS 58 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2yyx s ASP 59 N -2.91 6.66 0.00 4.39 2.15 -0.58 -4.92 116.67 121.45 2yyx s ASP 59 Ca 0.11 2.71 0.06 0.00 0.43 0.00 0.00 52.55 55.86 2yyx s ASP 59 Cb 0.17 -2.64 0.17 0.00 -0.30 0.00 0.00 42.92 40.33 2yyx s ASP 59 CO 0.76 -0.66 1.14 0.29 -0.17 0.00 0.00 175.17 176.53 2yyx n LYS 60 N 1.62 2.90 -1.47 4.34 4.76 -1.26 -4.27 118.16 124.79 2yyx n LYS 60 Ca 0.04 -1.81 -0.30 0.00 -2.87 0.00 0.00 58.31 53.38 2yyx n LYS 60 Cb 0.41 -1.15 0.20 0.00 -1.84 0.00 0.00 35.03 32.65 2yyx n LYS 60 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2yyx s SER 61 N -1.00 2.14 0.00 4.39 1.04 -1.26 -4.89 113.70 114.12 2yyx s SER 61 Ca 0.13 0.55 0.17 0.00 0.48 0.00 0.00 55.95 57.28 2yyx s SER 61 Cb 0.07 -0.78 0.93 0.00 0.10 0.00 0.00 66.02 66.34 2yyx s SER 61 CO 0.09 -3.36 1.44 0.00 0.98 0.00 0.00 173.24 172.39 2yyx n ALA 62 N -4.24 2.03 0.99 5.32 0.00 -1.26 -1.77 120.51 121.58 2yyx n ALA 62 Ca 0.13 -0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.58 2yyx n ALA 62 Cb 0.59 -1.27 -0.08 0.00 0.00 0.00 0.00 19.45 18.69 2yyx n ALA 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2yyx n LYS 63 N -1.12 0.01 -2.23 0.00 5.02 -1.26 -4.46 118.16 114.12 2yyx n LYS 63 Ca 0.11 -0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.96 2yyx n LYS 63 Cb 0.09 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.57 2yyx n LYS 63 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2yyx s GLY 64 N -3.02 1.13 0.12 0.72 0.00 -0.73 -0.41 107.32 105.13 2yyx s GLY 64 Ca 0.08 0.15 -0.16 0.00 0.00 0.00 0.00 44.72 44.79 2yyx s GLY 64 CO 0.85 2.90 1.59 0.00 0.00 0.00 0.00 173.10 178.45 2yyx h ALA 65 N 10.86 0.48 0.01 3.20 0.00 -1.50 -1.69 119.26 130.62 2yyx h ALA 65 Ca -0.30 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.41 2yyx h ALA 65 Cb 1.13 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2yyx h ALA 65 CO 1.04 0.19 -0.07 -0.92 0.00 0.00 0.00 179.25 179.49 2yyx h TYR 66 N 0.44 -0.18 -0.72 0.00 5.03 -1.85 -2.70 116.97 117.00 2yyx h TYR 66 Ca 0.11 0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.55 2yyx h TYR 66 Cb 0.36 0.08 -0.08 0.00 1.55 0.00 0.00 36.73 38.64 2yyx h TYR 66 CO 0.02 -0.11 0.30 1.25 -1.32 0.00 0.00 178.16 178.30 2yyx h HIS 67 N -0.13 0.52 0.00 -3.82 2.76 -1.70 -1.03 115.15 111.75 2yyx h HIS 67 Ca 0.03 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 2yyx h HIS 67 Cb 0.16 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.00 2yyx h HIS 67 CO -0.14 0.11 -0.12 0.00 -1.30 0.00 0.00 177.93 176.49 2yyx h ALA 68 N 1.49 1.17 0.00 5.26 0.00 -0.99 -2.22 119.26 123.98 2yyx h ALA 68 Ca 0.38 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2yyx h ALA 68 Cb 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2yyx h ALA 68 CO -0.35 0.15 -1.93 -1.33 0.00 0.00 0.00 179.25 175.79 2yyx n MET 69 N -3.48 0.62 -0.00 0.00 2.81 -0.79 -4.36 117.12 111.92 2yyx n MET 69 Ca -0.01 -0.19 0.01 0.00 -1.81 0.00 0.00 57.70 55.70 2yyx n MET 69 Cb 0.27 -1.51 -0.02 0.00 -0.71 0.00 0.00 33.22 31.25 2yyx n MET 69 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2yyx n HIS 70 N -2.20 0.00 -3.45 2.03 -0.00 -0.46 -1.95 115.22 109.19 2yyx n HIS 70 Ca -0.03 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.42 2yyx n HIS 70 Cb 0.55 -0.08 -0.03 0.00 -0.00 0.00 0.00 29.99 30.44 2yyx n HIS 70 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2yyx s ASP 71 N -2.52 6.38 0.57 0.41 1.01 -0.85 -4.49 116.67 117.19 2yyx s ASP 71 Ca -0.01 0.55 -0.03 0.00 0.71 0.00 0.00 52.55 53.76 2yyx s ASP 71 Cb 0.02 -2.07 0.02 0.00 1.01 0.00 0.00 42.92 41.89 2yyx s ASP 71 CO 0.11 -0.18 0.85 -0.54 0.21 0.00 0.00 175.17 175.62 2yyx s LYS 72 N -3.70 2.75 -0.85 8.23 1.02 -1.26 -4.32 119.74 121.61 2yyx s LYS 72 Ca 0.41 -0.30 0.00 0.00 0.02 0.00 0.00 55.97 56.10 2yyx s LYS 72 Cb -0.10 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.85 2yyx s LYS 72 CO 0.31 -0.70 0.00 0.41 -0.92 0.00 0.00 175.35 174.45 2yyx n GLY 73 N -2.49 0.80 3.92 -3.33 0.00 -1.26 -5.01 105.19 97.81 2yyx n GLY 73 Ca 0.05 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 45.17 2yyx n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2yyx s THR 74 N -2.34 5.02 0.34 2.61 -4.23 -1.26 -4.99 115.64 110.80 2yyx s THR 74 Ca 0.00 -0.09 0.05 0.00 -1.18 0.00 0.00 61.69 60.47 2yyx s THR 74 Cb 0.00 -3.80 0.17 0.00 1.34 0.00 0.00 72.50 70.20 2yyx s THR 74 CO 0.00 -0.51 1.89 0.50 -0.54 0.00 0.00 174.62 175.96 2yyx h LYS 75 N 1.06 0.52 -6.45 3.99 3.64 -1.98 -3.39 116.57 113.97 2yyx h LYS 75 Ca -0.48 -0.10 -0.69 0.00 -1.27 0.00 0.00 60.65 58.11 2yyx h LYS 75 Cb 1.20 -0.08 -0.22 0.00 -0.41 0.00 0.00 32.23 32.72 2yyx h LYS 75 CO 0.63 0.54 -0.78 -0.06 -2.27 0.00 0.00 179.45 177.51 2yyx s PHE 76 N -5.01 2.64 0.26 1.91 0.08 -1.26 -5.09 117.98 111.51 2yyx s PHE 76 Ca -0.08 -0.20 -0.31 0.00 0.12 0.00 0.00 56.93 56.47 2yyx s PHE 76 Cb 0.16 -1.54 -0.11 0.00 -0.57 0.00 0.00 43.02 40.95 2yyx s PHE 76 CO 0.76 0.23 1.60 0.15 -0.10 0.00 0.00 175.22 177.86 2yyx s LYS 77 N -1.14 4.15 0.81 0.44 1.02 -1.26 -4.99 119.74 118.77 2yyx s LYS 77 Ca 0.14 2.53 -0.11 0.00 0.02 0.00 0.00 55.97 58.54 2yyx s LYS 77 Cb -0.11 -3.06 0.09 0.00 -0.52 0.00 0.00 37.83 34.23 2yyx s LYS 77 CO 0.04 -0.63 1.17 -1.54 -0.92 0.00 0.00 175.35 173.46 2yyx s SER 78 N 0.69 4.43 0.15 2.83 1.04 -1.26 -4.76 113.70 116.82 2yyx s SER 78 Ca 0.66 0.68 -0.24 0.00 0.48 0.00 0.00 55.95 57.54 2yyx s SER 78 Cb -0.47 -1.16 0.03 0.00 0.10 0.00 0.00 66.02 64.52 2yyx s SER 78 CO 0.42 -1.93 1.61 0.00 0.98 0.00 0.00 173.24 174.32 2yyx h VAL 80 N -0.29 1.28 -0.38 0.00 2.07 -1.65 -1.79 116.25 115.49 2yyx h VAL 80 Ca 0.14 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.24 2yyx h VAL 80 Cb 0.52 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 2yyx h VAL 80 CO -0.44 0.48 0.25 1.23 0.02 0.00 0.00 177.57 179.11 2yyx h GLY 81 N 0.68 0.53 1.03 2.17 0.00 -1.65 0.15 103.07 105.99 2yyx h GLY 81 Ca 0.08 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 2yyx h GLY 81 CO 0.07 0.20 0.16 0.00 0.00 0.00 0.00 176.54 176.97 2yyx h HIS 83 N 0.94 0.71 -0.66 0.00 3.86 -0.81 -0.70 115.15 118.49 2yyx h HIS 83 Ca 0.20 -0.04 0.02 0.00 -1.16 0.00 0.00 60.37 59.40 2yyx h HIS 83 Cb 0.35 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.56 2yyx h HIS 83 CO 0.03 0.57 0.42 -0.07 0.86 0.00 0.00 177.93 179.74 2yyx h LEU 84 N 0.69 0.70 -0.62 2.43 3.38 -0.51 -0.37 115.31 121.02 2yyx h LEU 84 Ca 0.16 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 2yyx h LEU 84 Cb 0.18 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2yyx h LEU 84 CO -0.01 0.50 0.11 -0.33 0.09 0.00 0.00 178.44 178.80 2yyx h GLU 85 N 0.84 1.02 -0.74 1.13 5.08 -1.11 -1.96 114.58 118.83 2yyx h GLU 85 Ca 0.26 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2yyx h GLU 85 Cb -0.02 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 2yyx h GLU 85 CO -0.09 0.94 0.43 1.15 -1.00 0.00 0.00 179.01 180.45 2yyx h THR 86 N 0.93 1.22 -0.07 1.13 2.02 -0.67 -2.91 112.91 114.55 2yyx h THR 86 Ca 0.19 -0.51 -0.13 0.00 0.77 0.00 0.00 66.41 66.74 2yyx h THR 86 Cb 0.41 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 2yyx h THR 86 CO 0.01 0.23 -0.53 0.00 0.37 0.00 0.00 175.52 175.60 2yyx h ALA 87 N 1.22 0.97 -0.96 6.16 0.00 -0.96 -3.48 119.26 122.22 2yyx h ALA 87 Ca 0.26 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2yyx h ALA 87 Cb -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2yyx h ALA 87 CO -0.05 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.29 2yyx n GLY 88 N 0.09 3.45 0.87 0.00 0.00 -0.75 -1.51 105.19 107.34 2yyx n GLY 88 Ca -0.02 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 45.97 2yyx n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yyx n ALA 89 N 11.75 2.46 -2.65 4.61 0.00 -1.26 -4.84 120.51 130.59 2yyx n ALA 89 Ca 0.00 -0.77 -0.42 0.00 0.00 0.00 0.00 53.44 52.25 2yyx n ALA 89 Cb 0.00 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 2yyx n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2yyx s ASP 90 N -1.47 6.19 0.45 0.00 3.68 -0.57 -4.89 116.67 120.07 2yyx s ASP 90 Ca 0.35 -0.57 0.15 0.00 2.13 0.00 0.00 52.55 54.61 2yyx s ASP 90 Cb 0.20 -2.51 1.04 0.00 -1.45 0.00 0.00 42.92 40.19 2yyx s ASP 90 CO 0.28 -1.66 2.00 0.00 0.13 0.00 0.00 175.17 175.92 2yyx h ALA 91 N 9.82 1.66 -0.38 3.66 0.00 -1.88 0.69 119.26 132.84 2yyx h ALA 91 Ca -0.28 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 2yyx h ALA 91 Cb 1.06 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2yyx h ALA 91 CO 1.23 0.22 -0.01 0.00 0.00 0.00 0.00 179.25 180.70 2yyx h ALA 92 N 1.82 0.51 -0.23 0.00 0.00 -1.96 -0.52 119.26 118.87 2yyx h ALA 92 Ca -0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 2yyx h ALA 92 Cb 0.33 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2yyx h ALA 92 CO 0.02 0.29 -0.24 0.87 0.00 0.00 0.00 179.25 180.19 2yyx h LYS 93 N 0.49 0.43 -0.54 0.00 1.79 -1.75 -1.09 116.57 115.90 2yyx h LYS 93 Ca 0.11 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2yyx h LYS 93 Cb 0.48 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.07 2yyx h LYS 93 CO 0.02 0.65 0.34 0.87 -1.08 0.00 0.00 179.45 180.25 2yyx h LYS 94 N 0.39 0.72 -0.22 3.15 1.57 -0.53 0.45 116.57 122.09 2yyx h LYS 94 Ca 0.06 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2yyx h LYS 94 Cb 0.64 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2yyx h LYS 94 CO 0.05 0.50 0.06 -0.22 -0.57 0.00 0.00 179.45 179.27 2yyx h LYS 95 N 0.72 0.35 -0.93 3.15 1.63 -0.76 0.16 116.57 120.89 2yyx h LYS 95 Ca 0.19 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.91 2yyx h LYS 95 Cb -0.05 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.49 2yyx h LYS 95 CO -0.04 0.45 0.54 1.49 -3.45 0.00 0.00 179.45 178.44 2yyx h GLU 96 N 0.18 1.28 0.00 1.90 4.81 -1.00 -1.58 114.58 120.17 2yyx h GLU 96 Ca 0.07 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2yyx h GLU 96 Cb 0.25 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2yyx h GLU 96 CO -0.00 0.91 -1.51 1.28 -0.73 0.00 0.00 179.01 178.96 2yyx n LEU 97 N -4.34 0.30 0.00 1.64 4.77 0.13 -0.22 117.00 119.28 2yyx n LEU 97 Ca 0.10 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2yyx n LEU 97 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2yyx n LEU 97 CO 0.38 0.08 0.06 0.35 -1.33 0.00 0.00 177.39 176.93 2yyx n THR 98 N -1.90 0.00 -2.10 -5.08 -2.24 0.53 -4.86 114.28 98.61 2yyx n THR 98 Ca -0.01 -0.24 -0.38 0.00 -2.27 0.00 0.00 64.05 61.15 2yyx n THR 98 Cb 0.42 1.27 0.01 0.00 -2.10 0.00 0.00 70.33 69.92 2yyx n THR 98 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2yyx s GLY 99 N -0.23 2.82 0.33 3.38 0.00 -0.59 -4.92 107.32 108.10 2yyx s GLY 99 Ca 0.00 1.08 0.18 0.00 0.00 0.00 0.00 44.72 45.97 2yyx s GLY 99 CO 0.00 1.56 1.54 0.00 0.00 0.00 0.00 173.10 176.20 2yyx s LYS 101 N -3.13 0.70 -1.73 0.00 -2.85 -1.26 -4.72 119.74 106.75 2yyx s LYS 101 Ca 0.04 -1.16 0.00 0.00 -1.00 0.00 0.00 55.97 53.85 2yyx s LYS 101 Cb 0.08 -0.12 0.00 0.00 -2.06 0.00 0.00 37.83 35.73 2yyx s LYS 101 CO 0.71 -0.03 0.00 0.41 0.10 0.00 0.00 175.35 176.55 2yyx n GLY 102 N 0.37 0.21 3.90 0.59 0.00 -0.10 -4.95 105.19 105.21 2yyx n GLY 102 Ca -0.15 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 2yyx n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yyx s SER 103 N -2.33 4.58 0.42 1.61 1.04 -0.39 -4.75 113.70 113.88 2yyx s SER 103 Ca 0.00 -1.32 0.29 0.00 0.48 0.00 0.00 55.95 55.40 2yyx s SER 103 Cb 0.00 0.55 1.14 0.00 0.10 0.00 0.00 66.02 67.81 2yyx s SER 103 CO 0.00 -1.15 1.85 0.11 0.98 0.00 0.00 173.24 175.03 2yyx h LYS 104 N 0.74 0.00 0.03 4.02 1.57 -0.85 -3.24 116.57 118.83 2yyx h LYS 104 Ca -0.37 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.14 2yyx h LYS 104 Cb 1.31 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.59 2yyx h LYS 104 CO 0.58 0.00 -1.51 0.00 -0.57 0.00 0.00 179.45 177.94 2yyx s HIS 106 N -2.42 2.39 -2.00 0.00 3.76 -1.22 -4.65 115.29 111.15 2yyx s HIS 106 Ca -0.28 -1.28 0.04 0.00 -0.15 0.00 0.00 55.06 53.40 2yyx s HIS 106 Cb 0.07 -1.68 0.26 0.00 1.11 0.00 0.00 32.58 32.33 2yyx s HIS 106 CO 0.63 -0.64 0.73 -1.13 -0.85 0.00 0.00 174.74 173.48