#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pba s HIS 2 N 0.00 2.75 0.00 1.57 -3.43 -1.26 -4.99 115.29 109.93 1pba s HIS 2 Ca 0.00 -0.43 0.00 0.00 -0.80 0.00 0.00 55.06 53.83 1pba s HIS 2 Cb 0.00 -1.95 0.00 0.00 -1.43 0.00 0.00 32.58 29.20 1pba s HIS 2 CO 0.00 0.08 0.91 0.43 -2.00 0.00 0.00 174.74 174.17 1pba n SER 3 N -1.39 2.70 -2.59 7.38 7.64 -1.26 -3.72 113.62 122.39 1pba n SER 3 Ca 0.00 -1.73 -0.16 0.00 1.01 0.00 0.00 58.87 57.99 1pba n SER 3 Cb 0.61 -0.47 0.02 0.00 -1.01 0.00 0.00 64.21 63.37 1pba n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pba n GLY 4 N 0.66 3.31 3.43 0.23 0.00 -1.26 -5.08 105.19 106.48 1pba n GLY 4 Ca 0.00 -1.87 -0.23 0.00 0.00 0.00 0.00 46.02 43.92 1pba n GLY 4 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pba s GLU 5 N -3.30 1.80 0.00 1.61 2.02 -1.24 -5.05 118.70 114.54 1pba s GLU 5 Ca 0.35 -2.07 0.00 0.00 0.02 0.00 0.00 54.97 53.27 1pba s GLU 5 Cb 0.43 -0.37 0.00 0.00 0.10 0.00 0.00 34.13 34.29 1pba s GLU 5 CO -0.05 -0.48 0.00 0.72 0.02 0.00 0.00 175.26 175.47 1pba n HIS 6 N -0.78 0.00 -4.24 1.61 8.25 -1.26 -5.09 115.22 113.72 1pba n HIS 6 Ca -0.02 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.24 1pba n HIS 6 Cb 0.65 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.64 1pba n HIS 6 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1pba s PHE 7 N -1.34 1.46 0.17 4.41 5.36 -1.26 -5.16 117.98 121.61 1pba s PHE 7 Ca 0.00 -0.49 0.01 0.00 -0.96 0.00 0.00 56.93 55.49 1pba s PHE 7 Cb 0.00 -0.79 -0.00 0.00 -0.34 0.00 0.00 43.02 41.89 1pba s PHE 7 CO 0.00 0.15 0.05 0.39 -1.46 0.00 0.00 175.22 174.34 1pba n GLU 8 N 0.85 0.92 0.00 10.12 -0.58 -1.26 -4.86 120.64 125.83 1pba n GLU 8 Ca -0.18 -1.36 0.00 0.00 -0.42 0.00 0.00 57.16 55.21 1pba n GLU 8 Cb 0.55 0.67 0.00 0.00 -0.57 0.00 0.00 31.44 32.10 1pba n GLU 8 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pba n GLY 9 N 1.38 2.06 3.32 0.62 0.00 -1.26 -4.84 105.19 106.47 1pba n GLY 9 Ca -0.03 -0.31 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 1pba n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pba s GLU 10 N 0.00 1.27 0.02 1.61 2.02 -1.26 0.47 118.70 122.82 1pba s GLU 10 Ca 0.00 -1.57 -0.00 0.00 0.02 0.00 0.00 54.97 53.42 1pba s GLU 10 Cb 0.00 -0.95 -0.02 0.00 0.10 0.00 0.00 34.13 33.26 1pba s GLU 10 CO 0.00 0.12 -0.02 0.15 0.02 0.00 0.00 175.26 175.53 1pba s LYS 11 N -3.69 0.28 -0.15 1.61 -0.14 0.52 -4.95 119.74 113.22 1pba s LYS 11 Ca 0.22 -0.54 0.00 0.00 -1.36 0.00 0.00 55.97 54.29 1pba s LYS 11 Cb 0.01 0.10 0.03 0.00 -1.68 0.00 0.00 37.83 36.29 1pba s LYS 11 CO 0.06 -0.05 -0.11 0.08 -0.76 0.00 0.00 175.35 174.57 1pba s VAL 12 N -1.30 1.41 0.34 3.17 1.01 -1.26 -2.28 120.40 121.48 1pba s VAL 12 Ca -0.14 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.25 1pba s VAL 12 Cb -0.09 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1pba s VAL 12 CO -0.01 0.35 0.13 -0.36 0.00 0.00 0.00 175.10 175.21 1pba s PHE 13 N 1.54 1.72 0.34 5.22 0.40 -1.25 -4.92 117.98 121.03 1pba s PHE 13 Ca 0.03 -1.26 0.09 0.00 -0.60 0.00 0.00 56.93 55.19 1pba s PHE 13 Cb -0.14 -1.03 -0.06 0.00 0.51 0.00 0.00 43.02 42.30 1pba s PHE 13 CO -0.09 -0.35 -0.05 1.03 0.70 0.00 0.00 175.22 176.46 1pba s ARG 14 N -3.80 1.93 -0.05 0.44 0.52 -0.27 -2.84 118.95 114.87 1pba s ARG 14 Ca 0.32 -1.86 0.04 0.00 -0.52 0.00 0.00 55.73 53.71 1pba s ARG 14 Cb 0.05 -1.80 -0.00 0.00 0.52 0.00 0.00 34.95 33.72 1pba s ARG 14 CO 0.16 0.13 -0.17 0.08 0.02 0.00 0.00 175.30 175.53 1pba s VAL 15 N -2.57 1.42 -0.08 3.52 1.01 0.12 -0.72 120.40 123.09 1pba s VAL 15 Ca 0.34 -0.70 -0.14 0.00 0.00 0.00 0.00 61.98 61.47 1pba s VAL 15 Cb 0.02 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.12 1pba s VAL 15 CO 0.18 0.41 0.36 0.20 0.00 0.00 0.00 175.10 176.25 1pba s ASN 16 N 0.10 6.63 -0.68 3.32 -0.87 0.54 -1.91 114.94 122.07 1pba s ASN 16 Ca -0.05 0.75 0.05 0.00 -1.57 0.00 0.00 52.86 52.04 1pba s ASN 16 Cb -0.12 -2.22 0.18 0.00 -0.02 0.00 0.00 41.25 39.07 1pba s ASN 16 CO 0.02 0.20 0.52 0.52 -2.57 0.00 0.00 177.10 175.80 1pba n VAL 17 N 2.75 1.54 0.01 1.60 0.31 -1.26 -4.65 118.33 118.62 1pba n VAL 17 Ca -0.12 -4.82 0.03 0.00 -0.01 0.00 0.00 64.34 59.41 1pba n VAL 17 Cb 0.52 -2.14 -0.10 0.00 -0.91 0.00 0.00 33.84 31.21 1pba n VAL 17 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1pba n GLU 18 N 1.84 0.64 -2.31 5.55 4.07 -1.26 0.13 120.64 129.30 1pba n GLU 18 Ca 0.22 0.07 -0.03 0.00 -0.06 0.00 0.00 57.16 57.36 1pba n GLU 18 Cb 0.37 -1.70 -0.01 0.00 -0.06 0.00 0.00 31.44 30.04 1pba n GLU 18 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1pba n ASP 19 N -2.68 0.60 0.19 4.31 5.75 -1.26 -4.33 116.55 119.13 1pba n ASP 19 Ca -0.10 -1.29 0.12 0.00 -0.01 0.00 0.00 54.79 53.51 1pba n ASP 19 Cb 0.78 0.16 0.17 0.00 -1.03 0.00 0.00 41.12 41.21 1pba n ASP 19 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1pba h GLU 20 N 0.00 0.00 0.29 0.11 4.39 -1.97 -3.27 114.58 114.13 1pba h GLU 20 Ca -0.04 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1pba h GLU 20 Cb 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1pba h GLU 20 CO 0.06 0.00 -0.14 -0.97 -1.16 0.00 0.00 179.01 176.80 1pba h ASN 21 N 0.00 -0.33 -1.00 1.42 -1.24 -1.98 -1.40 115.58 111.05 1pba h ASN 21 Ca 0.00 -0.21 0.39 0.00 0.71 0.00 0.00 56.30 57.19 1pba h ASN 21 Cb 0.97 0.08 -0.18 0.00 0.73 0.00 0.00 38.32 39.92 1pba h ASN 21 CO 0.00 0.09 0.42 0.44 -1.29 0.00 0.00 177.43 177.09 1pba h ASP 22 N -0.80 0.14 0.23 1.15 3.32 -1.89 0.33 116.42 118.89 1pba h ASP 22 Ca -0.04 0.26 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1pba h ASP 22 Cb 0.51 0.32 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1pba h ASP 22 CO 0.06 -0.42 -0.11 0.40 -1.72 0.00 0.00 179.24 177.46 1pba h ILE 23 N 0.01 0.33 -0.83 0.35 2.04 -1.62 -2.06 117.51 115.73 1pba h ILE 23 Ca 0.79 -0.92 0.20 0.00 1.00 0.00 0.00 64.86 65.94 1pba h ILE 23 Cb 2.01 0.58 -0.14 0.00 -0.74 0.00 0.00 36.82 38.53 1pba h ILE 23 CO -0.81 0.09 0.07 0.28 0.00 0.00 0.00 178.15 177.79 1pba h SER 24 N -1.02 -0.27 -0.39 1.72 0.02 0.08 0.22 113.55 113.91 1pba h SER 24 Ca -0.03 0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 1pba h SER 24 Cb 0.39 0.34 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 1pba h SER 24 CO 0.05 -0.20 0.10 -0.33 -1.14 0.00 0.00 176.83 175.31 1pba h GLU 25 N 0.12 0.62 0.01 3.45 3.07 -0.50 -3.04 114.58 118.32 1pba h GLU 25 Ca 0.48 -0.15 0.02 0.00 -0.50 0.00 0.00 59.36 59.21 1pba h GLU 25 Cb 0.90 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.70 1pba h GLU 25 CO -0.70 0.65 -0.11 1.25 -1.40 0.00 0.00 179.01 178.69 1pba h LEU 26 N 0.48 -0.33 -0.57 1.33 7.12 0.05 -2.85 115.31 120.54 1pba h LEU 26 Ca 0.12 0.05 0.12 0.00 0.13 0.00 0.00 57.88 58.30 1pba h LEU 26 Cb 0.30 0.14 -0.11 0.00 -0.53 0.00 0.00 40.66 40.46 1pba h LEU 26 CO 0.00 -0.16 -0.14 1.41 -0.13 0.00 0.00 178.44 179.42 1pba n HIS 27 N -5.24 0.21 0.01 1.25 8.25 0.38 -0.35 115.22 119.72 1pba n HIS 27 Ca -0.06 0.70 -0.02 0.00 -0.26 0.00 0.00 57.72 58.09 1pba n HIS 27 Cb 0.16 -0.83 -0.01 0.00 1.12 0.00 0.00 29.99 30.43 1pba n HIS 27 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1pba h GLU 28 N 0.00 -0.08 -0.46 -0.41 4.57 -1.52 0.17 114.58 116.86 1pba h GLU 28 Ca 0.28 0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.56 1pba h GLU 28 Cb 0.42 0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 28.94 1pba h GLU 28 CO -0.59 -0.05 -0.22 1.25 -1.18 0.00 0.00 179.01 178.22 1pba h LEU 29 N -0.08 -0.76 -0.67 1.64 5.85 -0.80 -1.33 115.31 119.16 1pba h LEU 29 Ca 0.00 0.17 0.13 0.00 0.84 0.00 0.00 57.88 59.02 1pba h LEU 29 Cb 0.08 0.41 -0.13 0.00 0.37 0.00 0.00 40.66 41.39 1pba h LEU 29 CO -0.04 -0.25 -0.21 0.00 -0.34 0.00 0.00 178.44 177.60 1pba h ALA 30 N 1.17 0.35 -1.30 1.25 0.00 -0.40 0.36 119.26 120.69 1pba h ALA 30 Ca 0.22 0.25 0.45 0.00 0.00 0.00 0.00 54.91 55.83 1pba h ALA 30 Cb 0.46 0.59 -0.14 0.00 0.00 0.00 0.00 17.79 18.70 1pba h ALA 30 CO -0.54 -0.48 0.83 0.43 0.00 0.00 0.00 179.25 179.49 1pba n SER 31 N -5.46 0.21 -3.10 0.00 7.64 0.56 0.52 113.62 113.99 1pba n SER 31 Ca 0.08 1.35 -0.21 0.00 1.01 0.00 0.00 58.87 61.10 1pba n SER 31 Cb 0.36 -0.66 -0.03 0.00 -1.01 0.00 0.00 64.21 62.86 1pba n SER 31 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1pba n THR 32 N -4.67 0.91 -1.24 0.44 -1.04 0.11 -5.04 114.28 103.75 1pba n THR 32 Ca 0.39 -4.92 -0.22 0.00 -2.04 0.00 0.00 64.05 57.26 1pba n THR 32 Cb 1.49 -0.64 -0.11 0.00 -1.82 0.00 0.00 70.33 69.25 1pba n THR 32 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1pba n ARG 33 N 0.10 0.06 0.09 -2.82 0.63 0.18 -4.64 116.66 110.27 1pba n ARG 33 Ca 0.27 -1.40 0.08 0.00 -0.92 0.00 0.00 57.85 55.87 1pba n ARG 33 Cb 0.57 -3.36 0.37 0.00 0.45 0.00 0.00 32.46 30.49 1pba n ARG 33 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1pba n GLN 34 N 7.85 0.10 -3.57 -0.14 6.02 -1.26 -4.63 117.38 121.75 1pba n GLN 34 Ca 0.40 0.49 -0.24 0.00 -0.01 0.00 0.00 57.00 57.65 1pba n GLN 34 Cb 0.45 -1.75 0.02 0.00 1.02 0.00 0.00 30.24 29.98 1pba n GLN 34 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1pba s ILE 35 N -3.27 1.76 0.09 5.09 -5.25 -1.26 -4.95 121.20 113.40 1pba s ILE 35 Ca 0.01 -1.30 0.06 0.00 -0.99 0.00 0.00 60.65 58.43 1pba s ILE 35 Cb 0.06 -2.06 -0.03 0.00 2.95 0.00 0.00 42.46 43.37 1pba s ILE 35 CO 0.20 0.00 -0.16 -0.62 -1.79 0.00 0.00 174.94 172.58 1pba s ASP 36 N -4.45 1.95 0.31 4.36 2.15 -1.22 -5.01 116.67 114.77 1pba s ASP 36 Ca 0.44 -0.68 0.08 0.00 0.43 0.00 0.00 52.55 52.82 1pba s ASP 36 Cb -0.04 -0.07 -0.04 0.00 -0.30 0.00 0.00 42.92 42.47 1pba s ASP 36 CO 0.28 -0.06 0.16 -0.36 -0.17 0.00 0.00 175.17 175.02 1pba s PHE 37 N -1.45 2.81 -0.06 -5.34 0.08 -1.26 -0.94 117.98 111.82 1pba s PHE 37 Ca 0.03 -0.30 -0.05 0.00 0.12 0.00 0.00 56.93 56.73 1pba s PHE 37 Cb -0.09 -1.57 -0.03 0.00 -0.57 0.00 0.00 43.02 40.76 1pba s PHE 37 CO 0.03 0.37 -0.11 0.91 -0.10 0.00 0.00 175.22 176.32 1pba n TRP 38 N -1.17 0.00 -3.73 0.36 8.01 -1.00 -4.86 117.44 115.05 1pba n TRP 38 Ca -0.04 0.00 -0.12 0.00 -1.31 0.00 0.00 57.50 56.03 1pba n TRP 38 Cb 0.60 -0.27 -0.13 0.00 -2.01 0.00 0.00 31.31 29.50 1pba n TRP 38 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.69 176.89 1pba s LYS 39 N -2.20 0.23 0.00 -0.99 2.20 -1.26 -4.48 119.74 113.24 1pba s LYS 39 Ca -0.11 0.54 0.00 0.00 -0.36 0.00 0.00 55.97 56.03 1pba s LYS 39 Cb 0.04 -0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.26 1pba s LYS 39 CO 0.15 -0.15 0.00 -0.35 -0.36 0.00 0.00 175.35 174.64 1pba n PRO 40 N 4.14 0.13 -0.09 4.03 -0.04 -1.26 -1.55 135.00 140.36 1pba n PRO 40 Ca -0.24 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.02 1pba n PRO 40 Cb 0.54 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.93 1pba n PRO 40 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1pba n ASP 41 N -1.24 1.34 -4.54 3.54 5.75 -1.26 -4.76 116.55 115.39 1pba n ASP 41 Ca 0.00 0.21 -0.29 0.00 -0.01 0.00 0.00 54.79 54.71 1pba n ASP 41 Cb 0.00 -0.53 -0.10 0.00 -1.03 0.00 0.00 41.12 39.45 1pba n ASP 41 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1pba s SER 42 N -6.63 4.15 -0.94 -1.12 0.01 -1.26 -4.65 113.70 103.26 1pba s SER 42 Ca -0.26 -0.50 -0.01 0.00 1.31 0.00 0.00 55.95 56.49 1pba s SER 42 Cb 0.10 -0.69 0.33 0.00 0.21 0.00 0.00 66.02 65.97 1pba s SER 42 CO 0.33 0.16 1.80 0.55 0.41 0.00 0.00 173.24 176.48 1pba n VAL 43 N 0.59 5.26 -0.04 3.43 3.14 -1.26 -4.58 118.33 124.87 1pba n VAL 43 Ca -0.14 -5.56 -0.04 0.00 -2.96 0.00 0.00 64.34 55.64 1pba n VAL 43 Cb 0.53 -1.46 -0.01 0.00 -1.06 0.00 0.00 33.84 31.83 1pba n VAL 43 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1pba n THR 44 N -0.19 0.68 -2.22 1.55 -2.24 -1.26 -4.61 114.28 105.99 1pba n THR 44 Ca 0.47 0.32 -0.39 0.00 -2.27 0.00 0.00 64.05 62.18 1pba n THR 44 Cb 0.27 -1.84 0.01 0.00 -2.10 0.00 0.00 70.33 66.68 1pba n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pba n GLN 45 N -3.36 4.24 -4.48 -0.78 3.00 -1.26 -4.94 117.38 109.80 1pba n GLN 45 Ca -0.06 -3.92 -0.34 0.00 -0.01 0.00 0.00 57.00 52.68 1pba n GLN 45 Cb 0.22 -2.40 -0.10 0.00 0.00 0.00 0.00 30.24 27.95 1pba n GLN 45 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1pba s ILE 46 N -3.85 3.97 0.34 5.09 -1.09 -1.26 -5.11 121.20 119.29 1pba s ILE 46 Ca 0.47 -0.44 0.03 0.00 -2.23 0.00 0.00 60.65 58.49 1pba s ILE 46 Cb 0.28 -2.67 -0.04 0.00 -1.58 0.00 0.00 42.46 38.45 1pba s ILE 46 CO -0.22 0.55 0.12 -0.54 -1.23 0.00 0.00 174.94 173.63 1pba s LYS 47 N -0.99 1.71 0.74 2.79 -0.14 -1.26 -5.05 119.74 117.54 1pba s LYS 47 Ca 0.14 -1.99 -0.16 0.00 -1.36 0.00 0.00 55.97 52.60 1pba s LYS 47 Cb -0.11 -0.45 0.00 0.00 -1.68 0.00 0.00 37.83 35.59 1pba s LYS 47 CO 0.03 -0.39 0.85 -2.30 -0.76 0.00 0.00 175.35 172.78 1pba n PRO 48 N -0.71 0.39 -3.44 -1.68 -0.02 -1.26 -3.56 135.00 124.72 1pba n PRO 48 Ca -0.02 0.19 -0.18 0.00 -2.02 0.00 0.00 63.50 61.47 1pba n PRO 48 Cb 0.65 -2.12 0.09 0.00 -0.02 0.00 0.00 33.50 32.10 1pba n PRO 48 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1pba n HIS 49 N -2.59 -2.27 -0.01 6.00 8.25 0.35 -4.93 115.22 120.02 1pba n HIS 49 Ca 0.12 0.94 -0.05 0.00 -0.26 0.00 0.00 57.72 58.46 1pba n HIS 49 Cb 0.50 -5.03 -0.02 0.00 1.12 0.00 0.00 29.99 26.56 1pba n HIS 49 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1pba n SER 50 N -3.07 1.22 0.00 0.41 3.41 -1.23 -5.08 113.62 109.28 1pba n SER 50 Ca -0.23 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1pba n SER 50 Cb 0.65 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1pba n SER 50 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1pba n THR 51 N -3.73 -0.77 -4.44 6.66 -1.04 -1.26 -4.96 114.28 104.74 1pba n THR 51 Ca -0.09 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.70 1pba n THR 51 Cb 0.31 -0.61 -0.16 0.00 -1.82 0.00 0.00 70.33 68.05 1pba n THR 51 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1pba s VAL 52 N -0.98 0.88 -0.02 12.58 1.01 -0.80 -4.12 120.40 128.95 1pba s VAL 52 Ca 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.61 1pba s VAL 52 Cb 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 1pba s VAL 52 CO 0.00 0.28 -0.02 -1.81 0.00 0.00 0.00 175.10 173.55 1pba s ASP 53 N 0.36 4.96 0.16 3.32 1.11 -0.60 0.13 116.67 126.12 1pba s ASP 53 Ca -0.07 -0.03 -0.01 0.00 0.18 0.00 0.00 52.55 52.63 1pba s ASP 53 Cb -0.11 -1.27 -0.04 0.00 1.07 0.00 0.00 42.92 42.57 1pba s ASP 53 CO 0.01 0.30 0.09 0.72 1.18 0.00 0.00 175.17 177.47 1pba s PHE 54 N -1.01 0.98 -0.16 4.23 -0.71 -1.13 -2.39 117.98 117.78 1pba s PHE 54 Ca 0.17 -1.29 0.01 0.00 -1.04 0.00 0.00 56.93 54.78 1pba s PHE 54 Cb -0.11 -0.51 0.01 0.00 -1.21 0.00 0.00 43.02 41.20 1pba s PHE 54 CO 0.08 -0.57 -0.18 1.03 -1.34 0.00 0.00 175.22 174.24 1pba s ARG 55 N -4.09 3.11 -0.07 1.99 0.52 -0.11 -3.92 118.95 116.38 1pba s ARG 55 Ca 0.30 -0.79 0.05 0.00 -0.52 0.00 0.00 55.73 54.76 1pba s ARG 55 Cb 0.07 -2.59 -0.00 0.00 0.52 0.00 0.00 34.95 32.95 1pba s ARG 55 CO 0.06 -0.08 -0.21 0.08 0.02 0.00 0.00 175.30 175.17 1pba s VAL 56 N 1.02 1.78 0.14 3.52 1.01 -0.97 -3.39 120.40 123.51 1pba s VAL 56 Ca -0.02 -0.89 0.09 0.00 0.00 0.00 0.00 61.98 61.16 1pba s VAL 56 Cb -0.15 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1pba s VAL 56 CO -0.05 0.50 -0.20 -1.59 0.00 0.00 0.00 175.10 173.76 1pba s LYS 57 N 0.13 1.24 0.00 2.72 -2.85 -1.26 -0.35 119.74 119.37 1pba s LYS 57 Ca -0.09 -1.33 0.00 0.00 -1.00 0.00 0.00 55.97 53.55 1pba s LYS 57 Cb -0.15 -1.41 0.00 0.00 -2.06 0.00 0.00 37.83 34.21 1pba s LYS 57 CO 0.05 0.30 0.00 0.00 0.10 0.00 0.00 175.35 175.80 1pba n ALA 58 N 0.59 0.00 -0.31 0.59 0.00 0.18 -0.23 120.51 121.33 1pba n ALA 58 Ca -0.15 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.43 1pba n ALA 58 Cb 0.56 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.30 1pba n ALA 58 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1pba h GLU 59 N 0.00 0.12 0.00 0.00 9.09 -1.97 -1.26 114.58 120.55 1pba h GLU 59 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.40 1pba h GLU 59 Cb 0.00 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.07 1pba h GLU 59 CO 0.00 0.08 -1.34 -0.40 0.05 0.00 0.00 179.01 177.40 1pba n ASP 60 N -5.32 0.49 -0.35 3.06 5.75 0.69 -4.51 116.55 116.36 1pba n ASP 60 Ca 0.22 -0.07 -0.09 0.00 -0.01 0.00 0.00 54.79 54.84 1pba n ASP 60 Cb 0.73 1.13 -0.08 0.00 -1.03 0.00 0.00 41.12 41.86 1pba n ASP 60 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1pba n ILE 61 N -2.19 -0.56 -0.14 2.12 5.41 0.03 -0.08 119.36 123.94 1pba n ILE 61 Ca -0.00 2.22 -0.04 0.00 1.00 0.00 0.00 62.75 65.93 1pba n ILE 61 Cb 0.50 -2.77 0.02 0.00 -0.71 0.00 0.00 39.64 36.69 1pba n ILE 61 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1pba h LEU 62 N 0.00 -0.57 -0.43 1.39 4.07 -1.79 0.35 115.31 118.32 1pba h LEU 62 Ca 0.13 0.16 -0.12 0.00 0.08 0.00 0.00 57.88 58.13 1pba h LEU 62 Cb 0.34 0.34 -0.01 0.00 1.08 0.00 0.00 40.66 42.41 1pba h LEU 62 CO -0.78 -0.20 -0.20 0.00 -1.08 0.00 0.00 178.44 176.19 1pba h ALA 63 N 1.34 0.60 -0.17 1.53 0.00 -1.34 0.35 119.26 121.58 1pba h ALA 63 Ca 0.22 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1pba h ALA 63 Cb 0.40 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1pba h ALA 63 CO -0.51 0.57 -0.04 0.28 0.00 0.00 0.00 179.25 179.55 1pba h VAL 64 N 0.72 1.28 0.05 0.00 2.07 0.18 0.49 116.25 121.05 1pba h VAL 64 Ca 0.10 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 1pba h VAL 64 Cb 0.76 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1pba h VAL 64 CO 0.06 0.30 -0.02 -0.33 0.02 0.00 0.00 177.57 177.59 1pba h GLU 65 N 0.04 -0.06 -0.13 1.57 5.08 -0.31 0.15 114.58 120.92 1pba h GLU 65 Ca 0.04 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1pba h GLU 65 Cb 0.47 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1pba h GLU 65 CO 0.02 0.19 -0.21 0.22 -1.00 0.00 0.00 179.01 178.22 1pba h ASP 66 N -0.31 -0.70 -0.34 1.42 3.58 -0.20 0.50 116.42 120.36 1pba h ASP 66 Ca -0.01 0.09 0.04 0.00 0.42 0.00 0.00 57.03 57.57 1pba h ASP 66 Cb 0.28 0.28 -0.06 0.00 1.72 0.00 0.00 39.33 41.55 1pba h ASP 66 CO 0.01 -0.16 -0.41 0.15 -2.88 0.00 0.00 179.24 175.94 1pba h PHE 67 N -0.17 -1.27 -0.62 0.28 3.04 0.04 0.89 116.94 119.12 1pba h PHE 67 Ca 0.02 0.06 0.18 0.00 3.98 0.00 0.00 57.97 62.22 1pba h PHE 67 Cb 0.24 0.60 -0.02 0.00 2.56 0.00 0.00 35.95 39.32 1pba h PHE 67 CO -0.61 -0.35 0.51 -0.07 -2.02 0.00 0.00 178.31 175.77 1pba h LEU 68 N -0.27 0.00 0.00 0.59 3.38 -0.24 -0.96 115.31 117.82 1pba h LEU 68 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1pba h LEU 68 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1pba h LEU 68 CO -0.46 0.00 -0.03 -0.08 0.09 0.00 0.00 178.44 177.95 1pba h GLU 69 N 0.00 0.00 -0.09 1.13 4.81 0.41 -0.78 114.58 120.06 1pba h GLU 69 Ca 0.29 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.55 1pba h GLU 69 Cb 1.32 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.70 1pba h GLU 69 CO -0.00 0.00 0.34 -0.56 -0.73 0.00 0.00 179.01 178.06 1pba h GLN 70 N -0.08 0.00 -0.57 1.92 3.07 0.58 0.57 115.11 120.60 1pba h GLN 70 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1pba h GLN 70 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.59 1pba h GLN 70 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 178.83 179.01 1pba n ASN 71 N -3.10 5.18 -3.98 0.06 3.02 -0.37 -4.97 115.26 111.10 1pba n ASN 71 Ca 0.00 -2.76 -0.37 0.00 -0.03 0.00 0.00 54.58 51.42 1pba n ASN 71 Cb 0.42 -0.63 0.01 0.00 -0.61 0.00 0.00 39.78 38.98 1pba n ASN 71 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1pba n GLU 72 N 0.68 -0.44 -2.54 3.52 -0.58 0.20 -4.94 120.64 116.53 1pba n GLU 72 Ca 0.26 0.01 -0.23 0.00 -0.42 0.00 0.00 57.16 56.78 1pba n GLU 72 Cb 1.05 -1.79 0.04 0.00 -0.57 0.00 0.00 31.44 30.17 1pba n GLU 72 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1pba s LEU 73 N -6.78 3.18 -0.64 -4.62 1.02 -0.30 -5.03 118.68 105.51 1pba s LEU 73 Ca 0.36 0.17 -0.07 0.00 0.02 0.00 0.00 54.13 54.61 1pba s LEU 73 Cb -0.20 -2.99 0.17 0.00 0.02 0.00 0.00 46.19 43.19 1pba s LEU 73 CO 0.79 -1.22 0.50 -1.10 0.02 0.00 0.00 176.35 175.34 1pba s GLN 74 N -4.88 2.81 0.23 1.70 1.11 -1.26 -4.90 119.66 114.47 1pba s GLN 74 Ca 0.57 -2.31 0.07 0.00 0.01 0.00 0.00 55.36 53.71 1pba s GLN 74 Cb -0.10 -3.96 -0.04 0.00 -1.01 0.00 0.00 33.01 27.89 1pba s GLN 74 CO 0.40 -1.21 0.11 1.52 0.01 0.00 0.00 175.29 176.12 1pba s TYR 75 N 0.38 2.98 0.11 0.91 1.13 -1.26 -0.34 117.35 121.25 1pba s TYR 75 Ca 0.14 -0.12 0.07 0.00 -1.41 0.00 0.00 57.07 55.75 1pba s TYR 75 Cb -0.19 -1.37 -0.03 0.00 -1.10 0.00 0.00 41.96 39.27 1pba s TYR 75 CO -0.04 0.54 -0.18 -2.00 -2.51 0.00 0.00 175.55 171.36 1pba s GLU 76 N -3.52 1.07 -0.47 -3.49 2.56 0.10 -4.91 118.70 110.04 1pba s GLU 76 Ca 0.31 -1.16 0.08 0.00 0.00 0.00 0.00 54.97 54.20 1pba s GLU 76 Cb -0.08 -1.22 0.27 0.00 2.00 0.00 0.00 34.13 35.11 1pba s GLU 76 CO 0.22 0.27 0.65 0.28 -0.56 0.00 0.00 175.26 176.13 1pba n VAL 77 N 0.97 0.50 -0.38 3.70 0.31 -1.26 -1.12 118.33 121.05 1pba n VAL 77 Ca -0.19 -4.56 -0.33 0.00 -0.01 0.00 0.00 64.34 59.25 1pba n VAL 77 Cb 0.54 -1.66 -0.09 0.00 -0.91 0.00 0.00 33.84 31.73 1pba n VAL 77 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pba n LEU 78 N 0.93 0.82 0.00 7.52 -0.00 -1.26 -4.76 117.00 120.24 1pba n LEU 78 Ca 0.25 -1.40 0.00 0.00 -0.00 0.00 0.00 56.01 54.86 1pba n LEU 78 Cb 0.51 -0.51 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1pba n LEU 78 CO 0.26 -1.77 0.00 -0.38 -0.00 0.00 0.00 177.39 175.50 1pba n ILE 79 N 6.45 0.00 -2.47 1.47 2.08 -1.26 -4.59 119.36 121.05 1pba n ILE 79 Ca 0.35 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.59 1pba n ILE 79 Cb 0.31 0.00 0.05 0.00 -0.75 0.00 0.00 39.64 39.25 1pba n ILE 79 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1pba n ASN 80 N 0.00 2.64 0.00 4.38 5.03 -1.26 -5.21 115.26 120.84 1pba n ASN 80 Ca 0.00 -2.69 0.00 0.00 0.87 0.00 0.00 54.58 52.76 1pba n ASN 80 Cb 0.00 -0.42 0.00 0.00 -1.02 0.00 0.00 39.78 38.34 1pba n ASN 80 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23