#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 1.81 0.42 4.41 5.04 0.15 -4.94 115.29 122.19 1pba s HIS 2 Ca 0.00 -1.17 0.32 0.00 -1.54 0.00 0.00 55.06 52.67 1pba s HIS 2 Cb 0.00 -1.33 1.40 0.00 0.04 0.00 0.00 32.58 32.69 1pba s HIS 2 CO 0.00 -0.11 1.43 0.43 -2.34 0.00 0.00 174.74 174.15 1pba n SER 3 N -1.32 0.16 0.00 9.88 7.64 -1.26 -4.76 113.62 123.97 1pba n SER 3 Ca -0.11 1.21 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1pba n SER 3 Cb 0.66 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 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 -1.53 3.08 2.85 0.23 0.00 -1.26 -4.89 105.19 103.66 1pba n GLY 4 Ca 0.38 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 1pba n GLY 4 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pba s GLU 5 N 0.00 1.38 0.03 1.61 2.12 -1.26 -4.47 118.70 118.11 1pba s GLU 5 Ca 0.00 -1.93 0.00 0.00 0.36 0.00 0.00 54.97 53.40 1pba s GLU 5 Cb 0.00 -2.72 0.00 0.00 0.26 0.00 0.00 34.13 31.67 1pba s GLU 5 CO 0.00 -1.06 0.00 1.58 -0.54 0.00 0.00 175.26 175.24 1pba n HIS 6 N 3.88 -0.05 0.11 5.30 -0.00 -1.26 -5.06 115.22 118.14 1pba n HIS 6 Ca 0.04 0.01 0.00 0.00 -0.00 0.00 0.00 57.72 57.77 1pba n HIS 6 Cb 0.37 0.05 0.00 0.00 -0.00 0.00 0.00 29.99 30.41 1pba n HIS 6 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1pba n PHE 7 N -2.71 -2.09 -0.32 1.57 7.35 -1.26 -4.93 117.46 115.07 1pba n PHE 7 Ca 0.00 0.43 -0.05 0.00 -0.76 0.00 0.00 57.45 57.07 1pba n PHE 7 Cb 0.00 0.93 -0.02 0.00 0.35 0.00 0.00 39.48 40.74 1pba n PHE 7 CO 0.00 0.00 0.00 -0.85 -0.76 0.00 0.00 176.76 175.15 1pba n GLU 8 N -3.15 -0.27 0.00 -4.13 0.00 -1.26 -4.92 120.64 106.91 1pba n GLU 8 Ca 0.00 1.22 0.00 0.00 0.00 0.00 0.00 57.16 58.38 1pba n GLU 8 Cb 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 31.44 29.63 1pba n GLU 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pba n GLY 9 N -1.29 -2.04 3.66 -1.84 0.00 -1.26 -4.86 105.19 97.56 1pba n GLY 9 Ca 0.05 -1.75 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 1pba n GLY 9 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pba s GLU 10 N -0.10 4.08 0.23 1.61 2.12 -1.26 -4.75 118.70 120.63 1pba s GLU 10 Ca 0.00 -0.18 0.04 0.00 0.36 0.00 0.00 54.97 55.19 1pba s GLU 10 Cb 0.00 -3.54 -0.05 0.00 0.26 0.00 0.00 34.13 30.79 1pba s GLU 10 CO 0.00 0.03 -0.02 0.15 -0.54 0.00 0.00 175.26 174.88 1pba s LYS 11 N 1.14 1.36 -0.03 4.30 -0.14 -1.26 -5.08 119.74 120.03 1pba s LYS 11 Ca 0.10 -1.68 0.03 0.00 -1.36 0.00 0.00 55.97 53.06 1pba s LYS 11 Cb -0.14 -0.71 -0.03 0.00 -1.68 0.00 0.00 37.83 35.27 1pba s LYS 11 CO 0.05 -0.06 -0.12 0.14 -0.76 0.00 0.00 175.35 174.60 1pba s VAL 12 N -3.34 3.29 0.26 3.17 -7.23 -1.26 -2.92 120.40 112.37 1pba s VAL 12 Ca 0.28 -0.75 0.09 0.00 -1.81 0.00 0.00 61.98 59.78 1pba s VAL 12 Cb 0.05 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 1pba s VAL 12 CO 0.09 0.51 0.07 -0.36 -0.31 0.00 0.00 175.10 175.10 1pba s PHE 13 N -0.84 2.84 0.23 2.82 0.40 0.24 -4.37 117.98 119.30 1pba s PHE 13 Ca 0.13 -0.19 0.10 0.00 -0.60 0.00 0.00 56.93 56.38 1pba s PHE 13 Cb -0.11 -1.28 -0.05 0.00 0.51 0.00 0.00 43.02 42.09 1pba s PHE 13 CO 0.03 0.58 -0.18 0.50 0.70 0.00 0.00 175.22 176.85 1pba s ARG 14 N -3.74 1.48 0.03 0.44 3.52 -0.17 -0.23 118.95 120.27 1pba s ARG 14 Ca 0.32 -1.63 0.00 0.00 -0.13 0.00 0.00 55.73 54.29 1pba s ARG 14 Cb -0.07 -1.47 -0.02 0.00 -1.56 0.00 0.00 34.95 31.83 1pba s ARG 14 CO 0.22 0.27 -0.04 0.08 -0.81 0.00 0.00 175.30 175.02 1pba s VAL 15 N -2.55 0.18 -0.03 7.11 1.01 0.31 -0.86 120.40 125.58 1pba s VAL 15 Ca 0.24 -1.02 0.07 0.00 0.00 0.00 0.00 61.98 61.28 1pba s VAL 15 Cb -0.04 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 1pba s VAL 15 CO 0.10 -0.53 -0.25 0.20 0.00 0.00 0.00 175.10 174.62 1pba s ASN 16 N -1.61 3.11 -0.40 3.32 0.01 0.63 -1.02 114.94 118.98 1pba s ASN 16 Ca -0.13 -0.46 -0.11 0.00 -0.71 0.00 0.00 52.86 51.45 1pba s ASN 16 Cb -0.08 -0.47 0.06 0.00 0.41 0.00 0.00 41.25 41.17 1pba s ASN 16 CO -0.02 0.31 0.25 0.68 -1.51 0.00 0.00 177.10 176.81 1pba s VAL 17 N -0.53 4.48 -0.12 1.60 -7.23 -1.14 -4.51 120.40 112.95 1pba s VAL 17 Ca 0.07 -1.13 -0.26 0.00 -1.81 0.00 0.00 61.98 58.86 1pba s VAL 17 Cb -0.11 -3.62 -0.27 0.00 0.56 0.00 0.00 36.38 32.94 1pba s VAL 17 CO -0.00 -0.39 0.75 -0.33 -0.31 0.00 0.00 175.10 174.82 1pba h GLU 18 N 8.45 0.08 0.00 4.82 4.39 -1.91 0.23 114.58 130.65 1pba h GLU 18 Ca -0.25 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.32 1pba h GLU 18 Cb 1.09 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1pba h GLU 18 CO 0.73 1.07 0.00 -0.40 -1.16 0.00 0.00 179.01 179.24 1pba n ASP 19 N -4.45 0.00 0.00 1.42 5.68 -1.26 -3.89 116.55 114.05 1pba n ASP 19 Ca -0.13 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.16 1pba n ASP 19 Cb 0.59 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 1pba n ASP 19 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1pba n GLU 20 N 0.00 1.29 0.09 0.11 4.07 -1.26 -2.68 120.64 122.26 1pba n GLU 20 Ca 0.00 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.00 1pba n GLU 20 Cb 0.00 -0.89 -0.06 0.00 -0.06 0.00 0.00 31.44 30.43 1pba n GLU 20 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1pba h ASN 21 N 0.00 -0.98 -0.68 4.31 2.35 -1.98 0.46 115.58 119.06 1pba h ASN 21 Ca 0.00 0.10 0.13 0.00 -0.55 0.00 0.00 56.30 55.98 1pba h ASN 21 Cb 0.00 0.36 -0.13 0.00 0.05 0.00 0.00 38.32 38.60 1pba h ASN 21 CO 0.00 -0.36 -0.24 -0.78 -1.65 0.00 0.00 177.43 174.40 1pba h ASP 22 N -0.50 -0.85 -0.20 5.81 1.82 -1.89 0.45 116.42 121.07 1pba h ASP 22 Ca -0.01 0.22 0.02 0.00 -0.39 0.00 0.00 57.03 56.87 1pba h ASP 22 Cb 0.49 0.49 -0.02 0.00 0.68 0.00 0.00 39.33 40.97 1pba h ASP 22 CO -0.16 -0.26 0.08 0.40 -1.61 0.00 0.00 179.24 177.69 1pba h ILE 23 N -0.06 0.97 0.55 2.25 2.04 -1.71 0.39 117.51 121.95 1pba h ILE 23 Ca 0.30 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 66.07 1pba h ILE 23 Cb 0.53 0.77 0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1pba h ILE 23 CO -0.72 0.03 -0.27 0.28 0.00 0.00 0.00 178.15 177.48 1pba h SER 24 N 0.19 -0.63 -0.13 1.72 0.02 0.17 0.37 113.55 115.26 1pba h SER 24 Ca 0.08 -0.05 0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1pba h SER 24 Cb 0.04 0.16 -0.07 0.00 0.14 0.00 0.00 62.40 62.67 1pba h SER 24 CO -0.07 -0.31 -0.47 -0.33 -1.14 0.00 0.00 176.83 174.51 1pba h GLU 25 N -0.96 -0.51 -0.46 3.45 3.07 -0.11 -1.92 114.58 117.14 1pba h GLU 25 Ca -0.08 0.03 0.09 0.00 -0.50 0.00 0.00 59.36 58.91 1pba h GLU 25 Cb 0.64 0.12 -0.08 0.00 -0.84 0.00 0.00 28.75 28.58 1pba h GLU 25 CO 0.12 -0.34 -0.05 1.25 -1.40 0.00 0.00 179.01 178.60 1pba h LEU 26 N -0.53 -0.29 -0.94 1.33 5.85 -0.15 -1.84 115.31 118.74 1pba h LEU 26 Ca 0.06 0.12 0.19 0.00 0.84 0.00 0.00 57.88 59.09 1pba h LEU 26 Cb 0.65 0.23 -0.18 0.00 0.37 0.00 0.00 40.66 41.74 1pba h LEU 26 CO -0.41 -0.10 -0.24 0.45 -0.34 0.00 0.00 178.44 177.79 1pba h HIS 27 N 0.07 -0.52 -1.07 1.25 3.86 0.57 0.24 115.15 119.55 1pba h HIS 27 Ca 0.23 0.09 0.31 0.00 -1.16 0.00 0.00 60.37 59.84 1pba h HIS 27 Cb 0.35 0.37 -0.13 0.00 1.06 0.00 0.00 27.41 29.07 1pba h HIS 27 CO -0.34 -0.41 0.65 1.49 0.86 0.00 0.00 177.93 180.19 1pba h GLU 28 N -0.00 0.33 -0.97 2.45 4.81 -1.10 0.41 114.58 120.51 1pba h GLU 28 Ca 0.45 -0.02 0.20 0.00 -0.13 0.00 0.00 59.36 59.86 1pba h GLU 28 Cb 0.69 -0.08 -0.09 0.00 0.63 0.00 0.00 28.75 29.90 1pba h GLU 28 CO -0.97 0.22 0.62 1.25 -0.73 0.00 0.00 179.01 179.40 1pba h LEU 29 N 0.34 0.60 -1.80 1.64 5.85 -0.62 0.55 115.31 121.88 1pba h LEU 29 Ca 0.70 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.49 1pba h LEU 29 Cb 1.72 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.71 1pba h LEU 29 CO -0.47 0.21 0.00 0.00 -0.34 0.00 0.00 178.44 177.85 1pba h ALA 30 N 1.63 1.00 -0.39 1.25 0.00 -0.29 0.33 119.26 122.79 1pba h ALA 30 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1pba h ALA 30 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1pba h ALA 30 CO -0.29 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.39 1pba n SER 31 N -2.76 3.04 0.03 0.00 7.64 0.19 -3.84 113.62 117.92 1pba n SER 31 Ca -0.01 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 57.92 1pba n SER 31 Cb 0.16 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 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 0.76 0.49 -2.40 0.44 -1.04 -0.34 -4.86 114.28 107.34 1pba n THR 32 Ca 0.14 0.16 -0.18 0.00 -2.04 0.00 0.00 64.05 62.13 1pba n THR 32 Cb 0.45 -1.37 0.02 0.00 -1.82 0.00 0.00 70.33 67.62 1pba n THR 32 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1pba n ARG 33 N -3.19 2.84 -0.01 -2.82 1.74 0.10 -5.06 116.66 110.26 1pba n ARG 33 Ca 0.00 -3.99 0.00 0.00 -0.77 0.00 0.00 57.85 53.09 1pba n ARG 33 Cb 0.22 -1.99 0.00 0.00 -1.02 0.00 0.00 32.46 29.67 1pba n ARG 33 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1pba n GLN 34 N -0.54 0.00 -4.10 5.56 3.00 -1.14 -4.86 117.38 115.29 1pba n GLN 34 Ca 0.30 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 57.06 1pba n GLN 34 Cb 0.84 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 31.03 1pba n GLN 34 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 1pba s ILE 35 N 0.00 4.45 0.21 5.09 -4.36 -1.26 -5.02 121.20 120.31 1pba s ILE 35 Ca 0.00 -1.28 0.06 0.00 -0.26 0.00 0.00 60.65 59.17 1pba s ILE 35 Cb 0.00 -3.35 -0.04 0.00 1.25 0.00 0.00 42.46 40.32 1pba s ILE 35 CO 0.00 -0.25 0.22 1.51 0.24 0.00 0.00 174.94 176.65 1pba s ASP 36 N -3.54 5.74 0.22 4.36 -4.77 -1.26 -4.94 116.67 112.48 1pba s ASP 36 Ca 0.32 -0.12 0.07 0.00 -3.30 0.00 0.00 52.55 49.52 1pba s ASP 36 Cb -0.09 -1.54 -0.04 0.00 -1.09 0.00 0.00 42.92 40.16 1pba s ASP 36 CO 0.24 -0.00 0.11 -0.36 0.70 0.00 0.00 175.17 175.85 1pba s PHE 37 N -1.96 2.99 -0.00 2.11 0.08 -1.26 -1.54 117.98 118.40 1pba s PHE 37 Ca 0.33 -0.11 -0.00 0.00 0.12 0.00 0.00 56.93 57.26 1pba s PHE 37 Cb -0.09 -1.39 -0.00 0.00 -0.57 0.00 0.00 43.02 40.97 1pba s PHE 37 CO 0.26 0.54 -0.01 0.91 -0.10 0.00 0.00 175.22 176.82 1pba n TRP 38 N -0.70 0.00 -3.75 0.36 7.02 0.83 -4.92 117.44 116.29 1pba n TRP 38 Ca -0.08 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.28 1pba n TRP 38 Cb 0.57 -0.02 -0.12 0.00 -2.42 0.00 0.00 31.31 29.32 1pba n TRP 38 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1pba s LYS 39 N -2.01 0.28 0.00 -0.99 2.47 -1.08 -4.46 119.74 113.95 1pba s LYS 39 Ca -0.01 0.49 0.00 0.00 -1.56 0.00 0.00 55.97 54.90 1pba s LYS 39 Cb 0.00 0.02 0.00 0.00 -1.46 0.00 0.00 37.83 36.39 1pba s LYS 39 CO 0.01 -0.10 0.00 -0.35 0.16 0.00 0.00 175.35 175.06 1pba n PRO 40 N 3.62 2.54 -0.05 4.03 -0.04 -1.26 0.12 135.00 143.97 1pba n PRO 40 Ca -0.19 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.19 1pba n PRO 40 Cb 0.56 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.99 1pba n PRO 40 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1pba n ASP 41 N -0.01 1.52 -4.40 3.54 9.92 -1.26 -4.86 116.55 121.00 1pba n ASP 41 Ca 0.00 0.24 -0.39 0.00 -0.53 0.00 0.00 54.79 54.11 1pba n ASP 41 Cb 0.00 -0.56 -0.11 0.00 -0.64 0.00 0.00 41.12 39.80 1pba n ASP 41 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1pba s SER 42 N -6.07 5.62 0.13 -2.24 1.04 -1.26 -4.69 113.70 106.24 1pba s SER 42 Ca -0.19 -0.77 0.08 0.00 0.48 0.00 0.00 55.95 55.55 1pba s SER 42 Cb 0.04 -2.01 0.49 0.00 0.10 0.00 0.00 66.02 64.64 1pba s SER 42 CO 0.27 -0.29 0.57 0.55 0.98 0.00 0.00 173.24 175.31 1pba n VAL 43 N 4.98 -0.15 -0.28 5.02 3.14 -1.26 -0.36 118.33 129.42 1pba n VAL 43 Ca -0.13 0.72 0.17 0.00 -2.96 0.00 0.00 64.34 62.15 1pba n VAL 43 Cb 0.47 -1.18 0.33 0.00 -1.06 0.00 0.00 33.84 32.41 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 -3.79 -0.35 -1.26 1.55 -2.24 -1.26 -0.37 114.28 106.56 1pba n THR 44 Ca 0.14 1.77 -0.20 0.00 -2.27 0.00 0.00 64.05 63.48 1pba n THR 44 Cb 0.47 -2.69 -0.09 0.00 -2.10 0.00 0.00 70.33 65.92 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 -5.07 2.19 -3.84 -0.78 0.00 0.51 -4.76 117.38 105.63 1pba n GLN 45 Ca 0.24 -1.77 -0.29 0.00 0.00 0.00 0.00 57.00 55.17 1pba n GLN 45 Cb 0.79 -2.03 -0.16 0.00 0.00 0.00 0.00 30.24 28.84 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 -1.08 1.08 0.26 -0.39 1.01 0.50 -4.89 121.20 117.68 1pba s ILE 46 Ca 0.58 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 60.24 1pba s ILE 46 Cb 0.34 -1.50 -0.05 0.00 0.01 0.00 0.00 42.46 41.26 1pba s ILE 46 CO -0.13 -0.22 0.11 -0.54 0.00 0.00 0.00 174.94 174.16 1pba s LYS 47 N 1.59 1.40 0.31 2.79 -0.14 -1.26 -5.04 119.74 119.39 1pba s LYS 47 Ca -0.02 -1.76 -0.24 0.00 -1.36 0.00 0.00 55.97 52.59 1pba s LYS 47 Cb -0.18 -0.18 -0.16 0.00 -1.68 0.00 0.00 37.83 35.63 1pba s LYS 47 CO -0.09 -0.32 0.31 -2.30 -0.76 0.00 0.00 175.35 172.19 1pba n PRO 48 N -0.45 0.03 -2.53 -1.68 -0.02 -1.09 -3.65 135.00 125.60 1pba n PRO 48 Ca 0.00 0.01 -0.06 0.00 -2.02 0.00 0.00 63.50 61.43 1pba n PRO 48 Cb 0.66 -1.02 0.03 0.00 -0.02 0.00 0.00 33.50 33.15 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 -0.53 -0.81 -3.42 6.00 8.25 0.82 -4.99 115.22 120.54 1pba n HIS 49 Ca 0.14 0.35 -0.00 0.00 -0.26 0.00 0.00 57.72 57.95 1pba n HIS 49 Cb 0.33 -3.12 -0.00 0.00 1.12 0.00 0.00 29.99 28.32 1pba n HIS 49 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1pba n SER 50 N -1.75 -0.05 -4.24 0.41 2.88 -1.23 -5.03 113.62 104.61 1pba n SER 50 Ca -0.10 -1.05 -0.14 0.00 -1.33 0.00 0.00 58.87 56.25 1pba n SER 50 Cb 0.56 0.09 -0.10 0.00 -0.75 0.00 0.00 64.21 64.01 1pba n SER 50 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1pba s THR 51 N -2.60 1.00 -0.07 2.46 2.01 -1.26 -2.88 115.64 114.30 1pba s THR 51 Ca 0.01 -2.02 -0.03 0.00 0.31 0.00 0.00 61.69 59.95 1pba s THR 51 Cb -0.00 -1.90 0.04 0.00 0.01 0.00 0.00 72.50 70.65 1pba s THR 51 CO 0.01 -0.70 0.13 -0.69 -0.69 0.00 0.00 174.62 172.68 1pba s VAL 52 N -3.44 -0.22 -0.28 3.82 1.01 -0.19 -4.25 120.40 116.85 1pba s VAL 52 Ca 0.18 0.37 -0.01 0.00 0.00 0.00 0.00 61.98 62.51 1pba s VAL 52 Cb 0.04 -0.26 0.04 0.00 0.00 0.00 0.00 36.38 36.21 1pba s VAL 52 CO 0.01 0.15 -0.02 -1.81 0.00 0.00 0.00 175.10 173.43 1pba s ASP 53 N 2.21 4.72 0.42 3.32 1.11 0.12 -0.53 116.67 128.03 1pba s ASP 53 Ca 0.03 -1.18 0.03 0.00 0.18 0.00 0.00 52.55 51.61 1pba s ASP 53 Cb -0.12 -1.69 -0.03 0.00 1.07 0.00 0.00 42.92 42.15 1pba s ASP 53 CO -0.05 -0.22 0.08 0.72 1.18 0.00 0.00 175.17 176.88 1pba s PHE 54 N 1.26 1.86 0.02 4.23 -0.71 0.69 -0.12 117.98 125.21 1pba s PHE 54 Ca -0.04 -1.13 0.00 0.00 -1.04 0.00 0.00 56.93 54.72 1pba s PHE 54 Cb -0.19 -1.31 -0.04 0.00 -1.21 0.00 0.00 43.02 40.27 1pba s PHE 54 CO -0.02 -0.09 0.11 0.50 -1.34 0.00 0.00 175.22 174.38 1pba s ARG 55 N -3.78 3.12 -0.33 1.99 3.52 -0.59 0.80 118.95 123.68 1pba s ARG 55 Ca 0.22 -0.51 0.08 0.00 -0.13 0.00 0.00 55.73 55.39 1pba s ARG 55 Cb 0.03 -2.88 0.55 0.00 -1.56 0.00 0.00 34.95 31.10 1pba s ARG 55 CO 0.12 0.63 1.58 1.33 -0.81 0.00 0.00 175.30 178.15 1pba n VAL 56 N 0.87 2.71 0.00 7.11 0.24 -1.15 -4.28 118.33 123.82 1pba n VAL 56 Ca -0.11 -2.50 0.00 0.00 -2.04 0.00 0.00 64.34 59.69 1pba n VAL 56 Cb 0.52 -0.35 0.00 0.00 -1.47 0.00 0.00 33.84 32.54 1pba n VAL 56 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1pba n LYS 57 N -1.08 0.00 0.00 7.34 5.02 -1.26 -4.27 118.16 123.90 1pba n LYS 57 Ca 0.39 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 1pba n LYS 57 Cb 1.19 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.20 1pba n LYS 57 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pba n ALA 58 N 0.00 0.00 0.14 7.82 0.00 -1.26 -4.63 120.51 122.58 1pba n ALA 58 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1pba n ALA 58 Cb 0.00 0.00 0.32 0.00 0.00 0.00 0.00 19.45 19.77 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 0.14 0.00 0.00 9.09 -1.79 -3.33 114.58 118.69 1pba h GLU 59 Ca 0.00 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 59.36 1pba h GLU 59 Cb 0.00 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.09 1pba h GLU 59 CO 0.00 0.45 -0.73 -0.25 0.05 0.00 0.00 179.01 178.53 1pba n ASP 60 N -4.12 2.40 0.00 3.06 8.00 -1.26 0.31 116.55 124.94 1pba n ASP 60 Ca -0.01 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.23 1pba n ASP 60 Cb 0.39 1.10 0.00 0.00 -0.02 0.00 0.00 41.12 42.59 1pba n ASP 60 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1pba n ILE 61 N -1.39 0.00 -0.33 0.53 5.41 -1.25 0.61 119.36 122.94 1pba n ILE 61 Ca -0.00 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.77 1pba n ILE 61 Cb 0.08 0.00 0.09 0.00 -0.71 0.00 0.00 39.64 39.10 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 -1.00 0.00 1.39 3.38 -1.93 0.84 115.31 118.00 1pba h LEU 62 Ca 0.00 0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1pba h LEU 62 Cb 0.00 0.61 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1pba h LEU 62 CO 0.00 -0.30 0.00 0.00 0.09 0.00 0.00 178.44 178.23 1pba n ALA 63 N -3.46 2.08 -0.09 1.53 0.00 0.20 -0.66 120.51 120.11 1pba n ALA 63 Ca 0.12 -0.07 -0.18 0.00 0.00 0.00 0.00 53.44 53.31 1pba n ALA 63 Cb 0.44 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 1pba n ALA 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pba n VAL 64 N -0.82 0.97 -0.32 0.00 0.31 0.27 -3.99 118.33 114.74 1pba n VAL 64 Ca 0.08 -0.26 0.19 0.00 -0.01 0.00 0.00 64.34 64.34 1pba n VAL 64 Cb 0.04 -1.68 0.44 0.00 -0.91 0.00 0.00 33.84 31.73 1pba n VAL 64 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1pba h GLU 65 N -0.58 0.50 -0.18 5.55 5.08 -0.15 0.49 114.58 125.29 1pba h GLU 65 Ca -0.44 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 57.91 1pba h GLU 65 Cb 1.41 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.51 1pba h GLU 65 CO -0.25 0.33 -0.27 0.22 -1.00 0.00 0.00 179.01 178.04 1pba h ASP 66 N 0.52 -0.88 -0.81 1.42 1.82 -1.06 0.54 116.42 117.95 1pba h ASP 66 Ca 0.58 0.11 0.17 0.00 -0.39 0.00 0.00 57.03 57.50 1pba h ASP 66 Cb 1.25 0.36 -0.15 0.00 0.68 0.00 0.00 39.33 41.47 1pba h ASP 66 CO -0.32 -0.20 -0.15 0.15 -1.61 0.00 0.00 179.24 177.11 1pba h PHE 67 N -0.20 -0.34 0.00 0.28 3.04 -0.21 0.61 116.94 120.12 1pba h PHE 67 Ca 0.03 0.07 -0.04 0.00 3.98 0.00 0.00 57.97 62.02 1pba h PHE 67 Cb 0.29 0.28 -0.01 0.00 2.56 0.00 0.00 35.95 39.07 1pba h PHE 67 CO -0.64 -0.34 -0.18 -0.07 -2.02 0.00 0.00 178.31 175.06 1pba h LEU 68 N 0.02 0.00 0.05 0.59 3.38 0.00 -3.27 115.31 116.08 1pba h LEU 68 Ca 0.41 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 58.08 1pba h LEU 68 Cb 0.66 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1pba h LEU 68 CO -0.81 0.18 -1.65 1.21 0.09 0.00 0.00 178.44 177.45 1pba n GLU 69 N -3.76 0.64 -0.44 1.13 2.13 0.17 -0.72 120.64 119.79 1pba n GLU 69 Ca -0.02 0.43 0.39 0.00 0.66 0.00 0.00 57.16 58.62 1pba n GLU 69 Cb 0.29 -1.71 0.73 0.00 0.27 0.00 0.00 31.44 31.01 1pba n GLU 69 CO 0.00 0.00 0.00 -0.56 -0.41 0.00 0.00 177.13 176.16 1pba h GLN 70 N -0.57 0.05 -0.59 5.31 3.07 -0.44 0.79 115.11 122.73 1pba h GLN 70 Ca -0.41 -0.00 -0.43 0.00 0.09 0.00 0.00 58.65 57.89 1pba h GLN 70 Cb 1.61 -0.01 -0.34 0.00 0.08 0.00 0.00 27.48 28.82 1pba h GLN 70 CO -0.11 0.04 -0.75 0.27 0.09 0.00 0.00 178.83 178.37 1pba n ASN 71 N -4.23 4.26 -1.72 0.06 0.23 -1.23 -5.01 115.26 107.61 1pba n ASN 71 Ca 0.32 -3.78 0.00 0.00 -0.53 0.00 0.00 54.58 50.58 1pba n ASN 71 Cb 1.43 -0.38 0.00 0.00 -2.08 0.00 0.00 39.78 38.74 1pba n ASN 71 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1pba n GLU 72 N -0.80 -0.04 -2.10 -3.83 1.02 0.27 -4.88 120.64 110.28 1pba n GLU 72 Ca 0.39 -0.02 -0.28 0.00 -0.02 0.00 0.00 57.16 57.22 1pba n GLU 72 Cb 0.91 0.04 0.18 0.00 -0.02 0.00 0.00 31.44 32.55 1pba n GLU 72 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1pba s LEU 73 N -1.46 2.79 -1.14 -4.62 1.43 0.10 -4.95 118.68 110.84 1pba s LEU 73 Ca 0.00 0.04 -0.05 0.00 -1.03 0.00 0.00 54.13 53.08 1pba s LEU 73 Cb 0.00 -2.09 0.27 0.00 0.03 0.00 0.00 46.19 44.40 1pba s LEU 73 CO 0.00 -2.62 1.65 0.00 0.23 0.00 0.00 176.35 175.61 1pba n GLN 74 N -3.59 4.34 -3.66 1.70 6.02 -1.26 -4.93 117.38 115.99 1pba n GLN 74 Ca 0.16 -4.25 -0.21 0.00 -0.01 0.00 0.00 57.00 52.69 1pba n GLN 74 Cb 0.60 -2.62 -0.01 0.00 1.02 0.00 0.00 30.24 29.22 1pba n GLN 74 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 1pba s TYR 75 N -2.02 3.32 0.03 1.08 1.13 -1.26 -0.27 117.35 119.36 1pba s TYR 75 Ca 0.35 -0.03 -0.04 0.00 -1.41 0.00 0.00 57.07 55.93 1pba s TYR 75 Cb 0.08 -1.81 0.02 0.00 -1.10 0.00 0.00 41.96 39.15 1pba s TYR 75 CO 0.06 0.19 0.21 -0.85 -2.51 0.00 0.00 175.55 172.65 1pba n GLU 76 N -1.58 0.12 -3.92 -3.49 0.28 -0.04 -4.94 120.64 107.07 1pba n GLU 76 Ca -0.05 -0.27 -0.22 0.00 -0.16 0.00 0.00 57.16 56.46 1pba n GLU 76 Cb 0.57 0.38 -0.05 0.00 1.43 0.00 0.00 31.44 33.77 1pba n GLU 76 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1pba n VAL 77 N -0.15 0.00 -1.61 3.84 0.31 -1.26 -1.00 118.33 118.46 1pba n VAL 77 Ca -0.00 -1.78 -0.42 0.00 -0.01 0.00 0.00 64.34 62.12 1pba n VAL 77 Cb 0.11 0.46 -0.02 0.00 -0.91 0.00 0.00 33.84 33.49 1pba n VAL 77 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1pba n LEU 78 N 0.00 5.92 -4.57 7.52 4.77 -1.26 -4.79 117.00 124.58 1pba n LEU 78 Ca -0.11 -3.75 -0.22 0.00 -0.03 0.00 0.00 56.01 51.89 1pba n LEU 78 Cb 0.47 -1.51 -0.07 0.00 -2.33 0.00 0.00 43.42 39.98 1pba n LEU 78 CO 0.25 0.59 1.32 0.27 -1.33 0.00 0.00 177.39 178.49 1pba s ILE 79 N 3.90 3.32 0.00 -0.08 -5.25 -1.26 -3.79 121.20 118.04 1pba s ILE 79 Ca 0.51 -0.41 0.00 0.00 -0.99 0.00 0.00 60.65 59.75 1pba s ILE 79 Cb 0.13 -4.00 0.00 0.00 2.95 0.00 0.00 42.46 41.54 1pba s ILE 79 CO -0.02 -0.62 0.00 -3.20 -1.79 0.00 0.00 174.94 169.31 1pba n ASN 80 N 16.11 0.00 0.00 4.36 4.05 -1.26 -5.29 115.26 133.23 1pba n ASN 80 Ca 0.43 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.46 1pba n ASN 80 Cb 0.46 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.47 1pba n ASN 80 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80