#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pba n HIS 2 N 0.00 -1.49 -4.01 -1.40 -0.00 -1.26 -5.15 115.22 101.91 1pba n HIS 2 Ca 0.00 -1.83 -0.21 0.00 -0.00 0.00 0.00 57.72 55.68 1pba n HIS 2 Cb 0.00 -0.40 -0.01 0.00 -0.00 0.00 0.00 29.99 29.57 1pba n HIS 2 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1pba n SER 3 N -2.12 2.51 -3.00 4.39 2.88 -1.26 -5.16 113.62 111.85 1pba n SER 3 Ca 0.05 -2.46 -0.12 0.00 -1.33 0.00 0.00 58.87 55.01 1pba n SER 3 Cb 0.50 0.06 -0.02 0.00 -0.75 0.00 0.00 64.21 64.00 1pba n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pba n GLY 4 N 0.28 3.88 3.76 0.46 0.00 -1.26 -5.16 105.19 107.16 1pba n GLY 4 Ca -0.06 -2.27 -0.23 0.00 0.00 0.00 0.00 46.02 43.47 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 -2.69 2.37 -0.01 1.61 2.02 -1.26 -5.03 118.70 115.70 1pba s GLU 5 Ca 0.01 -1.63 0.14 0.00 0.02 0.00 0.00 54.97 53.51 1pba s GLU 5 Cb -0.00 -2.16 -0.20 0.00 0.10 0.00 0.00 34.13 31.86 1pba s GLU 5 CO 0.01 -0.01 0.37 1.58 0.02 0.00 0.00 175.26 177.23 1pba n HIS 6 N -1.26 0.00 -3.00 1.61 -0.00 -1.26 -4.56 115.22 106.74 1pba n HIS 6 Ca -0.01 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.34 1pba n HIS 6 Cb 0.62 -0.25 -0.02 0.00 -0.00 0.00 0.00 29.99 30.35 1pba n HIS 6 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1pba n PHE 7 N -1.84 2.97 -1.44 1.57 3.01 -1.26 -4.96 117.46 115.51 1pba n PHE 7 Ca -0.01 -3.15 -0.31 0.00 1.01 0.00 0.00 57.45 54.98 1pba n PHE 7 Cb 0.33 -0.96 -0.09 0.00 -0.01 0.00 0.00 39.48 38.75 1pba n PHE 7 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1pba n GLU 8 N 0.63 0.86 0.00 -1.08 1.02 -1.26 -2.70 120.64 118.11 1pba n GLU 8 Ca 0.33 -1.85 0.00 0.00 -0.02 0.00 0.00 57.16 55.62 1pba n GLU 8 Cb 0.34 -3.39 0.00 0.00 -0.02 0.00 0.00 31.44 28.37 1pba n GLU 8 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pba n GLY 9 N 5.47 3.47 3.02 0.62 0.00 -1.26 -5.01 105.19 111.50 1pba n GLY 9 Ca 0.45 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1pba n GLY 9 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1pba n GLU 10 N 0.00 2.72 -4.87 1.61 2.13 -1.10 -3.11 120.64 118.02 1pba n GLU 10 Ca 0.00 -2.67 -0.26 0.00 0.66 0.00 0.00 57.16 54.89 1pba n GLU 10 Cb 0.00 -3.32 -0.16 0.00 0.27 0.00 0.00 31.44 28.23 1pba n GLU 10 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1pba s LYS 11 N 3.82 1.69 -0.01 5.31 1.02 -1.26 -4.80 119.74 125.52 1pba s LYS 11 Ca 0.51 -0.64 0.04 0.00 0.02 0.00 0.00 55.97 55.90 1pba s LYS 11 Cb 0.11 -1.53 -0.01 0.00 -0.52 0.00 0.00 37.83 35.88 1pba s LYS 11 CO -0.01 0.31 -0.13 0.08 -0.92 0.00 0.00 175.35 174.67 1pba s VAL 12 N -0.15 1.04 0.07 3.17 1.01 -1.26 -2.92 120.40 121.36 1pba s VAL 12 Ca 0.00 -0.59 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 1pba s VAL 12 Cb -0.10 -0.87 0.03 0.00 0.00 0.00 0.00 36.38 35.44 1pba s VAL 12 CO 0.01 0.27 0.40 0.72 0.00 0.00 0.00 175.10 176.50 1pba s PHE 13 N -0.34 -0.22 0.28 5.22 -0.12 -1.26 -0.24 117.98 121.29 1pba s PHE 13 Ca 0.05 0.07 0.03 0.00 -0.05 0.00 0.00 56.93 57.03 1pba s PHE 13 Cb -0.05 0.22 -0.06 0.00 -0.63 0.00 0.00 43.02 42.50 1pba s PHE 13 CO -0.00 -0.61 0.06 -0.98 -0.05 0.00 0.00 175.22 173.63 1pba s ARG 14 N -3.00 1.49 0.12 1.99 1.70 -0.64 -2.66 118.95 117.95 1pba s ARG 14 Ca -0.02 -1.80 0.09 0.00 -0.47 0.00 0.00 55.73 53.52 1pba s ARG 14 Cb 0.00 -0.60 -0.04 0.00 -0.57 0.00 0.00 34.95 33.74 1pba s ARG 14 CO -0.06 -0.20 -0.16 0.08 -1.08 0.00 0.00 175.30 173.88 1pba s VAL 15 N -3.48 2.96 0.26 4.99 1.01 0.44 -1.64 120.40 124.93 1pba s VAL 15 Ca 0.35 -1.48 0.09 0.00 0.00 0.00 0.00 61.98 60.94 1pba s VAL 15 Cb 0.08 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1pba s VAL 15 CO 0.13 0.08 0.05 0.20 0.00 0.00 0.00 175.10 175.57 1pba s ASN 16 N -2.21 4.84 -0.19 3.32 0.01 0.15 -0.15 114.94 120.72 1pba s ASN 16 Ca 0.19 -0.52 -0.02 0.00 -0.71 0.00 0.00 52.86 51.81 1pba s ASN 16 Cb -0.10 -1.02 0.05 0.00 0.41 0.00 0.00 41.25 40.59 1pba s ASN 16 CO 0.11 -0.00 0.00 -0.69 -1.51 0.00 0.00 177.10 175.01 1pba s VAL 17 N -2.23 0.77 -0.04 1.60 1.01 0.34 -4.69 120.40 117.15 1pba s VAL 17 Ca 0.32 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.74 1pba s VAL 17 Cb -0.07 -1.15 -0.09 0.00 0.00 0.00 0.00 36.38 35.07 1pba s VAL 17 CO 0.21 -0.10 0.07 -0.62 0.00 0.00 0.00 175.10 174.66 1pba n GLU 18 N 4.97 1.94 -4.37 2.72 1.02 -1.26 0.15 120.64 125.81 1pba n GLU 18 Ca -0.10 -0.02 -0.21 0.00 -0.02 0.00 0.00 57.16 56.81 1pba n GLU 18 Cb 0.47 -1.16 -0.08 0.00 -0.02 0.00 0.00 31.44 30.65 1pba n GLU 18 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1pba s ASP 19 N -3.38 1.92 0.20 1.62 2.15 -1.26 -4.16 116.67 113.77 1pba s ASP 19 Ca -0.03 -1.67 -0.02 0.00 0.43 0.00 0.00 52.55 51.27 1pba s ASP 19 Cb 0.03 0.49 0.15 0.00 -0.30 0.00 0.00 42.92 43.30 1pba s ASP 19 CO 0.26 -0.97 1.53 -0.33 -0.17 0.00 0.00 175.17 175.49 1pba h GLU 20 N 2.07 0.52 0.20 4.34 4.39 -1.97 -3.22 114.58 120.90 1pba h GLU 20 Ca -0.31 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.08 1pba h GLU 20 Cb 1.25 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.90 1pba h GLU 20 CO 0.47 0.91 -0.47 -0.97 -1.16 0.00 0.00 179.01 177.80 1pba h ASN 21 N 0.40 -1.37 -0.88 1.42 -1.24 -2.00 -1.58 115.58 110.34 1pba h ASN 21 Ca 0.01 0.14 0.22 0.00 0.71 0.00 0.00 56.30 57.38 1pba h ASN 21 Cb 1.05 0.49 -0.16 0.00 0.73 0.00 0.00 38.32 40.43 1pba h ASN 21 CO 0.10 -0.52 -0.05 0.47 -1.29 0.00 0.00 177.43 176.13 1pba n ASP 22 N -5.14 -0.17 0.47 1.15 8.00 -1.22 0.97 116.55 120.62 1pba n ASP 22 Ca -0.08 1.50 -0.19 0.00 0.71 0.00 0.00 54.79 56.73 1pba n ASP 22 Cb 0.38 -0.52 -0.09 0.00 -0.02 0.00 0.00 41.12 40.87 1pba n ASP 22 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1pba h ILE 23 N 0.00 0.00 -0.91 0.53 2.04 -1.36 0.15 117.51 117.97 1pba h ILE 23 Ca 0.50 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.47 1pba h ILE 23 Cb 0.96 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.92 1pba h ILE 23 CO -0.85 0.00 -0.45 -1.20 0.00 0.00 0.00 178.15 175.65 1pba n SER 24 N -5.28 -0.79 0.08 1.72 7.64 0.27 0.60 113.62 117.86 1pba n SER 24 Ca -0.15 1.61 -0.12 0.00 1.01 0.00 0.00 58.87 61.22 1pba n SER 24 Cb 0.48 -0.28 -0.05 0.00 -1.01 0.00 0.00 64.21 63.35 1pba n SER 24 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1pba h GLU 25 N 0.00 -0.35 -0.09 1.43 5.08 -0.64 0.59 114.58 120.61 1pba h GLU 25 Ca 0.22 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 1pba h GLU 25 Cb 0.45 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1pba h GLU 25 CO -0.88 -0.23 -0.03 1.25 -1.00 0.00 0.00 179.01 178.12 1pba h LEU 26 N -0.36 0.18 -1.00 1.33 5.85 0.60 -3.08 115.31 118.83 1pba h LEU 26 Ca 0.04 -0.38 0.17 0.00 0.84 0.00 0.00 57.88 58.54 1pba h LEU 26 Cb 0.41 -0.05 -0.17 0.00 0.37 0.00 0.00 40.66 41.22 1pba h LEU 26 CO -0.15 0.52 -0.35 1.41 -0.34 0.00 0.00 178.44 179.53 1pba n HIS 27 N -4.77 0.11 -0.23 1.25 8.25 0.20 -0.05 115.22 119.98 1pba n HIS 27 Ca -0.07 1.22 0.07 0.00 -0.26 0.00 0.00 57.72 58.69 1pba n HIS 27 Cb 0.24 -0.92 0.15 0.00 1.12 0.00 0.00 29.99 30.58 1pba n HIS 27 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1pba n GLU 28 N -5.51 -0.05 -0.22 -0.41 4.07 0.18 0.10 120.64 118.80 1pba n GLU 28 Ca 0.12 0.99 0.02 0.00 -0.06 0.00 0.00 57.16 58.23 1pba n GLU 28 Cb 0.42 -1.54 0.13 0.00 -0.06 0.00 0.00 31.44 30.40 1pba n GLU 28 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1pba h LEU 29 N 0.00 0.02 -0.65 4.31 5.85 -0.58 -2.70 115.31 121.55 1pba h LEU 29 Ca 0.36 0.12 0.09 0.00 0.84 0.00 0.00 57.88 59.29 1pba h LEU 29 Cb 0.67 0.16 -0.10 0.00 0.37 0.00 0.00 40.66 41.77 1pba h LEU 29 CO -0.64 0.00 -0.30 0.00 -0.34 0.00 0.00 178.44 177.16 1pba n ALA 30 N -2.61 -0.20 -0.33 1.25 0.00 0.29 0.12 120.51 119.03 1pba n ALA 30 Ca 0.11 0.62 0.09 0.00 0.00 0.00 0.00 53.44 54.25 1pba n ALA 30 Cb 0.36 -0.22 0.18 0.00 0.00 0.00 0.00 19.45 19.77 1pba n ALA 30 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1pba n SER 31 N -4.91 -0.25 -2.98 0.00 7.64 -1.02 0.40 113.62 112.50 1pba n SER 31 Ca 0.05 1.58 -0.33 0.00 1.01 0.00 0.00 58.87 61.18 1pba n SER 31 Cb 0.23 -0.51 -0.00 0.00 -1.01 0.00 0.00 64.21 62.91 1pba n SER 31 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1pba n THR 32 N -5.45 3.70 -0.93 0.44 -2.24 0.33 -4.91 114.28 105.23 1pba n THR 32 Ca 0.17 -5.28 -0.22 0.00 -2.27 0.00 0.00 64.05 56.45 1pba n THR 32 Cb 0.56 -1.37 -0.07 0.00 -2.10 0.00 0.00 70.33 67.35 1pba n THR 32 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1pba n ARG 33 N -0.32 2.37 -0.21 -0.78 0.63 0.16 -4.38 116.66 114.14 1pba n ARG 33 Ca 0.41 -1.42 -0.01 0.00 -0.92 0.00 0.00 57.85 55.91 1pba n ARG 33 Cb 0.40 -2.34 0.21 0.00 0.45 0.00 0.00 32.46 31.19 1pba n ARG 33 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 1pba h GLN 34 N 4.89 0.99 -7.16 -0.14 -0.00 -1.86 -3.42 115.11 108.39 1pba h GLN 34 Ca 0.48 -0.10 -0.40 0.00 -0.00 0.00 0.00 58.65 58.63 1pba h GLN 34 Cb 0.59 -0.20 0.21 0.00 0.00 0.00 0.00 27.48 28.08 1pba h GLN 34 CO 1.10 0.71 -0.02 0.96 0.00 0.00 0.00 178.83 181.58 1pba s ILE 35 N -5.71 1.47 0.13 2.39 -5.25 -1.26 -5.07 121.20 107.91 1pba s ILE 35 Ca -0.11 0.00 0.05 0.00 -0.99 0.00 0.00 60.65 59.60 1pba s ILE 35 Cb 0.17 -2.20 -0.04 0.00 2.95 0.00 0.00 42.46 43.34 1pba s ILE 35 CO 0.79 0.00 -0.11 -0.62 -1.79 0.00 0.00 174.94 173.21 1pba s ASP 36 N -3.27 1.82 0.34 4.36 2.15 -1.26 -5.15 116.67 115.67 1pba s ASP 36 Ca 0.69 -0.92 0.08 0.00 0.43 0.00 0.00 52.55 52.83 1pba s ASP 36 Cb -0.14 -0.03 -0.03 0.00 -0.30 0.00 0.00 42.92 42.42 1pba s ASP 36 CO 0.58 -0.26 0.26 -0.36 -0.17 0.00 0.00 175.17 175.23 1pba s PHE 37 N -2.80 2.84 0.01 -5.34 0.08 -1.26 -4.10 117.98 107.42 1pba s PHE 37 Ca 0.13 -0.33 0.00 0.00 0.12 0.00 0.00 56.93 56.84 1pba s PHE 37 Cb -0.01 -1.78 0.00 0.00 -0.57 0.00 0.00 43.02 40.66 1pba s PHE 37 CO 0.01 0.20 0.00 1.87 -0.10 0.00 0.00 175.22 177.21 1pba n TRP 38 N -1.33 -0.07 -3.72 0.36 -0.00 0.27 -4.85 117.44 108.10 1pba n TRP 38 Ca -0.02 0.01 -0.21 0.00 -0.00 0.00 0.00 57.50 57.28 1pba n TRP 38 Cb 0.60 0.17 -0.18 0.00 -0.00 0.00 0.00 31.31 31.90 1pba n TRP 38 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1pba s LYS 39 N -2.00 0.23 0.00 5.87 1.02 -1.21 -4.35 119.74 119.30 1pba s LYS 39 Ca 0.00 0.25 0.00 0.00 0.02 0.00 0.00 55.97 56.24 1pba s LYS 39 Cb 0.00 -0.71 0.00 0.00 -0.52 0.00 0.00 37.83 36.60 1pba s LYS 39 CO 0.00 -0.31 0.00 -2.30 -0.92 0.00 0.00 175.35 171.82 1pba n PRO 40 N 5.20 1.04 0.06 -1.68 -0.02 -1.26 -1.86 135.00 136.48 1pba n PRO 40 Ca -0.05 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.28 1pba n PRO 40 Cb 0.50 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.84 1pba n PRO 40 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1pba h ASP 41 N 0.00 0.30 -5.03 2.55 2.03 -1.90 -3.45 116.42 110.91 1pba h ASP 41 Ca 0.00 -0.39 -0.52 0.00 -0.73 0.00 0.00 57.03 55.38 1pba h ASP 41 Cb 0.00 -0.10 -0.08 0.00 -0.83 0.00 0.00 39.33 38.33 1pba h ASP 41 CO 0.00 1.32 -0.32 -0.24 -1.03 0.00 0.00 179.24 178.97 1pba n SER 42 N -3.42 2.86 0.00 4.15 2.88 -1.26 -4.62 113.62 114.21 1pba n SER 42 Ca -0.12 -2.74 0.00 0.00 -1.33 0.00 0.00 58.87 54.68 1pba n SER 42 Cb 1.02 0.15 0.00 0.00 -0.75 0.00 0.00 64.21 64.63 1pba n SER 42 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1pba n VAL 43 N -1.29 0.00 -0.34 2.46 3.14 -1.26 -4.76 118.33 116.28 1pba n VAL 43 Ca -0.11 0.00 0.16 0.00 -2.96 0.00 0.00 64.34 61.44 1pba n VAL 43 Cb 0.53 -0.31 0.31 0.00 -1.06 0.00 0.00 33.84 33.31 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 -1.70 -0.41 -1.53 1.55 -2.24 -1.26 -0.74 114.28 107.95 1pba n THR 44 Ca 0.00 2.15 -0.28 0.00 -2.27 0.00 0.00 64.05 63.65 1pba n THR 44 Cb 0.26 -3.17 -0.05 0.00 -2.10 0.00 0.00 70.33 65.27 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 -5.45 2.58 -4.83 -0.78 -0.00 -1.26 -4.88 117.38 102.74 1pba n GLN 45 Ca 0.24 -2.44 -0.26 0.00 -0.00 0.00 0.00 57.00 54.54 1pba n GLN 45 Cb 0.80 -2.18 -0.16 0.00 -0.00 0.00 0.00 30.24 28.70 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 -2.18 1.43 0.37 -0.39 -1.09 0.08 -5.10 121.20 114.33 1pba s ILE 46 Ca 0.59 -0.72 0.04 0.00 -2.23 0.00 0.00 60.65 58.33 1pba s ILE 46 Cb 0.37 -1.23 -0.03 0.00 -1.58 0.00 0.00 42.46 39.99 1pba s ILE 46 CO -0.21 0.41 0.16 -0.75 -1.23 0.00 0.00 174.94 173.32 1pba s LYS 47 N 0.05 1.82 0.93 2.79 2.47 -1.26 -5.04 119.74 121.50 1pba s LYS 47 Ca -0.04 -2.08 -0.11 0.00 -1.56 0.00 0.00 55.97 52.17 1pba s LYS 47 Cb -0.12 -0.32 0.10 0.00 -1.46 0.00 0.00 37.83 36.04 1pba s LYS 47 CO 0.02 -0.50 0.84 -2.30 0.16 0.00 0.00 175.35 173.57 1pba n PRO 48 N -0.78 -0.40 -3.26 4.03 -0.02 -1.26 -3.66 135.00 129.65 1pba n PRO 48 Ca -0.02 -0.06 -0.17 0.00 -2.02 0.00 0.00 63.50 61.24 1pba n PRO 48 Cb 0.64 -2.16 0.06 0.00 -0.02 0.00 0.00 33.50 32.02 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 -3.99 -2.03 -4.17 6.00 8.25 0.38 -4.91 115.22 114.76 1pba n HIS 49 Ca 0.10 0.73 -0.17 0.00 -0.26 0.00 0.00 57.72 58.12 1pba n HIS 49 Cb 0.53 -3.94 -0.06 0.00 1.12 0.00 0.00 29.99 27.64 1pba n HIS 49 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1pba s SER 50 N -3.31 1.26 0.05 0.41 0.15 0.02 -4.99 113.70 107.28 1pba s SER 50 Ca 0.38 -1.61 -0.15 0.00 0.70 0.00 0.00 55.95 55.27 1pba s SER 50 Cb -0.17 0.63 0.03 0.00 -1.71 0.00 0.00 66.02 64.80 1pba s SER 50 CO 0.52 -1.22 0.34 0.42 1.20 0.00 0.00 173.24 174.51 1pba s THR 51 N -3.16 0.07 -0.10 6.45 -4.23 -1.26 0.13 115.64 113.53 1pba s THR 51 Ca 0.35 -0.61 0.01 0.00 -1.18 0.00 0.00 61.69 60.26 1pba s THR 51 Cb 0.01 -0.95 -0.02 0.00 1.34 0.00 0.00 72.50 72.88 1pba s THR 51 CO 0.24 -0.34 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.15 1pba s VAL 52 N -2.56 3.04 -0.08 2.29 1.01 0.79 -4.79 120.40 120.10 1pba s VAL 52 Ca -0.05 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 1pba s VAL 52 Cb -0.01 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 1pba s VAL 52 CO -0.03 0.55 -0.00 -0.62 0.00 0.00 0.00 175.10 174.99 1pba s ASP 53 N -0.03 5.18 0.33 3.32 -1.08 -0.77 -0.42 116.67 123.19 1pba s ASP 53 Ca -0.03 0.13 0.02 0.00 -0.52 0.00 0.00 52.55 52.14 1pba s ASP 53 Cb -0.14 -1.44 -0.01 0.00 -1.46 0.00 0.00 42.92 39.87 1pba s ASP 53 CO 0.04 0.38 0.06 0.49 0.52 0.00 0.00 175.17 176.66 1pba n PHE 54 N 2.13 0.41 -4.51 -5.34 3.01 -1.09 -0.57 117.46 111.51 1pba n PHE 54 Ca -0.18 -1.88 -0.25 0.00 1.01 0.00 0.00 57.45 56.15 1pba n PHE 54 Cb 0.54 -0.10 -0.08 0.00 -0.01 0.00 0.00 39.48 39.82 1pba n PHE 54 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1pba s ARG 55 N -3.22 1.91 0.72 -1.08 0.52 -1.26 -4.48 118.95 112.06 1pba s ARG 55 Ca 0.09 -2.16 -0.13 0.00 -0.52 0.00 0.00 55.73 53.01 1pba s ARG 55 Cb 0.00 -0.65 0.03 0.00 0.52 0.00 0.00 34.95 34.86 1pba s ARG 55 CO 0.06 -0.45 1.12 0.14 0.02 0.00 0.00 175.30 176.19 1pba s VAL 56 N -3.22 3.08 -0.02 3.52 -7.23 -1.15 -4.80 120.40 110.57 1pba s VAL 56 Ca 0.25 0.45 -0.30 0.00 -1.81 0.00 0.00 61.98 60.57 1pba s VAL 56 Cb 0.03 -2.93 0.11 0.00 0.56 0.00 0.00 36.38 34.14 1pba s VAL 56 CO 0.14 -0.36 1.05 -1.59 -0.31 0.00 0.00 175.10 174.03 1pba s LYS 57 N -4.34 0.70 -0.25 4.82 -2.85 -1.18 -4.95 119.74 111.69 1pba s LYS 57 Ca 0.66 -0.31 0.18 0.00 -1.00 0.00 0.00 55.97 55.50 1pba s LYS 57 Cb -0.21 0.28 0.43 0.00 -2.06 0.00 0.00 37.83 36.28 1pba s LYS 57 CO 0.47 -0.31 1.28 0.00 0.10 0.00 0.00 175.35 176.89 1pba n ALA 58 N -0.29 2.77 -0.06 0.59 0.00 -1.26 -4.69 120.51 117.57 1pba n ALA 58 Ca -0.06 -1.92 -0.12 0.00 0.00 0.00 0.00 53.44 51.34 1pba n ALA 58 Cb 0.61 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 19.21 1pba n ALA 58 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1pba n GLU 59 N -0.84 0.29 -0.03 0.00 4.71 -1.26 -4.88 120.64 118.63 1pba n GLU 59 Ca -0.05 0.12 -0.02 0.00 -0.01 0.00 0.00 57.16 57.20 1pba n GLU 59 Cb 0.85 -0.98 -0.05 0.00 -1.01 0.00 0.00 31.44 30.25 1pba n GLU 59 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1pba n ASP 60 N -3.72 3.48 0.00 1.62 5.75 -1.26 -4.93 116.55 117.49 1pba n ASP 60 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.56 1pba n ASP 60 Cb 0.58 0.77 0.00 0.00 -1.03 0.00 0.00 41.12 41.44 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 -2.14 0.00 -0.17 2.12 2.08 -1.26 -0.28 119.36 119.71 1pba n ILE 61 Ca -0.08 0.00 0.02 0.00 0.56 0.00 0.00 62.75 63.24 1pba n ILE 61 Cb 0.60 0.00 0.05 0.00 -0.75 0.00 0.00 39.64 39.54 1pba n ILE 61 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 1pba n LEU 62 N 0.00 -0.21 -0.23 1.39 7.94 -1.26 0.87 117.00 125.50 1pba n LEU 62 Ca 0.00 0.79 -0.04 0.00 -1.11 0.00 0.00 56.01 55.65 1pba n LEU 62 Cb 0.00 -0.22 0.06 0.00 0.53 0.00 0.00 43.42 43.79 1pba n LEU 62 CO 0.00 -0.74 1.14 0.00 -1.11 0.00 0.00 177.39 176.67 1pba h ALA 63 N 0.82 0.85 0.10 1.96 0.00 -1.05 0.67 119.26 122.61 1pba h ALA 63 Ca 0.20 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1pba h ALA 63 Cb 0.31 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1pba h ALA 63 CO -0.47 0.21 -0.05 0.28 0.00 0.00 0.00 179.25 179.23 1pba h VAL 64 N 0.85 1.14 -0.70 0.00 2.07 0.29 0.38 116.25 120.26 1pba h VAL 64 Ca 0.26 -1.08 0.14 0.00 0.82 0.00 0.00 66.70 66.83 1pba h VAL 64 Cb -0.03 1.80 -0.10 0.00 -1.52 0.00 0.00 31.29 31.44 1pba h VAL 64 CO -0.08 0.25 0.21 -0.33 0.02 0.00 0.00 177.57 177.65 1pba h GLU 65 N -0.65 0.33 0.02 1.57 4.39 -0.92 0.21 114.58 119.52 1pba h GLU 65 Ca -0.01 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1pba h GLU 65 Cb 0.52 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1pba h GLU 65 CO 0.02 0.22 -0.01 0.22 -1.16 0.00 0.00 179.01 178.30 1pba h ASP 66 N 0.34 -0.02 -0.97 1.42 3.58 0.41 0.33 116.42 121.52 1pba h ASP 66 Ca 0.39 -0.56 0.19 0.00 0.42 0.00 0.00 57.03 57.46 1pba h ASP 66 Cb 0.61 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 41.57 1pba h ASP 66 CO -0.44 0.56 0.61 0.15 -2.88 0.00 0.00 179.24 177.25 1pba h PHE 67 N -0.61 0.86 0.22 0.28 3.57 0.40 1.15 116.94 122.82 1pba h PHE 67 Ca -0.00 0.03 -0.29 0.00 3.53 0.00 0.00 57.97 61.23 1pba h PHE 67 Cb 0.58 -0.26 0.03 0.00 2.79 0.00 0.00 35.95 39.09 1pba h PHE 67 CO 0.13 0.22 -1.29 -0.07 -2.23 0.00 0.00 178.31 175.07 1pba h LEU 68 N 0.64 0.72 0.01 0.59 3.38 -0.52 -3.33 115.31 116.80 1pba h LEU 68 Ca 0.53 -0.93 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 1pba h LEU 68 Cb 0.98 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1pba h LEU 68 CO -0.29 1.62 -0.00 -0.08 0.09 0.00 0.00 178.44 179.78 1pba h GLU 69 N -0.02 -0.01 -1.50 1.13 4.81 0.95 0.88 114.58 120.82 1pba h GLU 69 Ca -0.23 0.00 0.48 0.00 -0.13 0.00 0.00 59.36 59.48 1pba h GLU 69 Cb 2.00 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 31.27 1pba h GLU 69 CO 0.23 -0.01 1.01 0.94 -0.73 0.00 0.00 179.01 180.46 1pba n GLN 70 N -4.05 -0.02 -0.09 1.92 7.27 0.39 -0.13 117.38 122.66 1pba n GLN 70 Ca -0.00 1.10 -0.15 0.00 0.07 0.00 0.00 57.00 58.02 1pba n GLN 70 Cb 0.00 -2.31 -0.14 0.00 2.41 0.00 0.00 30.24 30.21 1pba n GLN 70 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1pba n ASN 71 N -4.27 1.32 -0.67 1.69 3.02 -1.25 -5.05 115.26 110.04 1pba n ASN 71 Ca 0.39 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.94 1pba n ASN 71 Cb 1.62 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 40.76 1pba n ASN 71 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1pba n GLU 72 N -3.12 0.00 -2.33 3.52 0.00 0.82 -5.00 120.64 114.53 1pba n GLU 72 Ca -0.37 0.22 -0.38 0.00 0.00 0.00 0.00 57.16 56.63 1pba n GLU 72 Cb 1.05 -0.67 0.02 0.00 0.00 0.00 0.00 31.44 31.84 1pba n GLU 72 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1pba n LEU 73 N -0.38 6.96 -3.81 4.31 4.77 0.15 -4.91 117.00 124.10 1pba n LEU 73 Ca 0.00 -5.15 -0.15 0.00 -0.03 0.00 0.00 56.01 50.68 1pba n LEU 73 Cb 0.15 -1.01 0.01 0.00 -2.33 0.00 0.00 43.42 40.24 1pba n LEU 73 CO 0.00 1.96 -0.06 0.00 -1.33 0.00 0.00 177.39 177.97 1pba n GLN 74 N -0.33 -0.77 -4.25 3.23 3.00 -1.26 -3.91 117.38 113.09 1pba n GLN 74 Ca 0.48 -0.32 -0.29 0.00 -0.01 0.00 0.00 57.00 56.87 1pba n GLN 74 Cb 0.30 -0.16 -0.10 0.00 0.00 0.00 0.00 30.24 30.28 1pba n GLN 74 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.06 178.58 1pba s TYR 75 N -4.43 2.70 0.24 1.08 1.13 -1.26 0.35 117.35 117.16 1pba s TYR 75 Ca 0.15 -0.18 0.04 0.00 -1.41 0.00 0.00 57.07 55.67 1pba s TYR 75 Cb -0.09 -1.38 -0.05 0.00 -1.10 0.00 0.00 41.96 39.34 1pba s TYR 75 CO 0.31 0.45 -0.02 -1.83 -2.51 0.00 0.00 175.55 171.96 1pba s GLU 76 N -2.43 1.38 -0.12 -3.49 4.04 -0.65 -4.97 118.70 112.46 1pba s GLU 76 Ca 0.22 -1.70 0.02 0.00 0.04 0.00 0.00 54.97 53.56 1pba s GLU 76 Cb -0.10 -0.73 -0.00 0.00 0.02 0.00 0.00 34.13 33.31 1pba s GLU 76 CO 0.14 -0.07 -0.19 0.08 -1.84 0.00 0.00 175.26 173.38 1pba s VAL 77 N -3.33 2.43 0.30 1.83 1.01 -1.26 -1.62 120.40 119.76 1pba s VAL 77 Ca 0.28 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1pba s VAL 77 Cb 0.05 -1.98 0.37 0.00 0.00 0.00 0.00 36.38 34.83 1pba s VAL 77 CO 0.09 0.54 1.60 -0.07 0.00 0.00 0.00 175.10 177.26 1pba h LEU 78 N 6.86 -0.30 0.00 3.92 -0.00 -0.98 -3.41 115.31 121.39 1pba h LEU 78 Ca -0.24 0.25 -0.65 0.00 -0.00 0.00 0.00 57.88 57.24 1pba h LEU 78 Cb 1.22 0.41 -0.12 0.00 -0.00 0.00 0.00 40.66 42.16 1pba h LEU 78 CO 0.52 -0.30 -0.48 -0.38 -0.00 0.00 0.00 178.44 177.80 1pba n ILE 79 N -5.40 0.00 -2.39 1.22 -0.00 -1.26 -5.05 119.36 106.47 1pba n ILE 79 Ca 0.23 -2.40 -0.31 0.00 -0.00 0.00 0.00 62.75 60.28 1pba n ILE 79 Cb 0.75 0.51 0.01 0.00 -0.00 0.00 0.00 39.64 40.90 1pba n ILE 79 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1pba n ASN 80 N -1.32 5.46 0.00 4.38 4.05 -1.26 -5.00 115.26 121.56 1pba n ASN 80 Ca -0.20 -3.74 0.00 0.00 0.45 0.00 0.00 54.58 51.09 1pba n ASN 80 Cb 0.64 -0.64 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1pba n ASN 80 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01