#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 2.12 -1.25 4.41 0.09 -1.26 -5.03 115.29 114.36 1pba s HIS 2 Ca 0.00 -0.82 -0.05 0.00 -0.00 0.00 0.00 55.06 54.19 1pba s HIS 2 Cb 0.00 -1.73 0.17 0.00 -0.00 0.00 0.00 32.58 31.03 1pba s HIS 2 CO 0.00 0.22 2.14 -1.13 -0.00 0.00 0.00 174.74 175.97 1pba n SER 3 N -1.22 7.29 0.00 1.40 3.41 -1.26 -4.87 113.62 118.38 1pba n SER 3 Ca -0.11 -3.25 0.00 0.00 -0.26 0.00 0.00 58.87 55.25 1pba n SER 3 Cb 0.66 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 1pba n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pba n GLY 4 N 1.59 4.44 1.26 5.00 0.00 -1.26 -4.69 105.19 111.53 1pba n GLY 4 Ca 0.53 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1pba n GLY 4 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pba n GLU 5 N -1.89 0.00 0.00 1.61 4.71 -1.26 -5.02 120.64 118.78 1pba n GLU 5 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1pba n GLU 5 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1pba n GLU 5 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1pba n HIS 6 N -2.07 0.00 -1.58 -0.32 8.25 -1.26 -4.86 115.22 113.38 1pba n HIS 6 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 1pba n HIS 6 Cb 0.00 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 1pba n HIS 6 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1pba n PHE 7 N -1.67 3.15 -2.18 4.41 -0.00 -1.26 -4.85 117.46 115.06 1pba n PHE 7 Ca 0.00 -2.83 0.00 0.00 -0.00 0.00 0.00 57.45 54.62 1pba n PHE 7 Cb 0.22 -2.43 0.00 0.00 -0.00 0.00 0.00 39.48 37.27 1pba n PHE 7 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1pba n GLU 8 N 5.83 2.45 0.00 -4.13 -0.58 -1.26 -4.71 120.64 118.24 1pba n GLU 8 Ca 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.29 1pba n GLU 8 Cb 0.36 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.23 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 5.00 2.42 3.30 0.62 0.00 -1.26 -4.74 105.19 110.52 1pba n GLY 9 Ca 0.00 0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 3.01 0.20 1.61 0.41 -1.26 -1.98 118.70 120.69 1pba s GLU 10 Ca 0.00 -0.81 -0.01 0.00 -0.41 0.00 0.00 54.97 53.74 1pba s GLU 10 Cb 0.00 -2.38 -0.04 0.00 -1.78 0.00 0.00 34.13 29.93 1pba s GLU 10 CO 0.00 0.27 0.11 0.15 -0.49 0.00 0.00 175.26 175.30 1pba s LYS 11 N 0.15 1.19 0.27 1.61 1.02 -0.04 -4.87 119.74 119.08 1pba s LYS 11 Ca -0.11 -1.62 0.10 0.00 0.02 0.00 0.00 55.97 54.36 1pba s LYS 11 Cb -0.16 0.17 -0.05 0.00 -0.52 0.00 0.00 37.83 37.27 1pba s LYS 11 CO 0.06 -0.35 -0.16 0.54 -0.92 0.00 0.00 175.35 174.52 1pba s VAL 12 N -4.07 2.18 0.10 3.17 0.11 -0.69 -2.01 120.40 119.19 1pba s VAL 12 Ca 0.36 -2.31 0.00 0.00 -2.93 0.00 0.00 61.98 57.11 1pba s VAL 12 Cb 0.07 -2.29 -0.04 0.00 -1.53 0.00 0.00 36.38 32.59 1pba s VAL 12 CO 0.11 -0.42 -0.02 -0.36 -3.33 0.00 0.00 175.10 171.08 1pba s PHE 13 N -2.69 0.80 -0.32 1.54 0.40 -0.95 -4.76 117.98 112.00 1pba s PHE 13 Ca 0.28 -1.05 0.03 0.00 -0.60 0.00 0.00 56.93 55.59 1pba s PHE 13 Cb -0.02 -0.49 0.09 0.00 0.51 0.00 0.00 43.02 43.11 1pba s PHE 13 CO 0.13 -0.32 0.04 0.50 0.70 0.00 0.00 175.22 176.26 1pba s ARG 14 N -3.92 1.43 -0.06 0.44 3.52 -1.17 -2.98 118.95 116.21 1pba s ARG 14 Ca 0.15 -1.64 -0.04 0.00 -0.13 0.00 0.00 55.73 54.06 1pba s ARG 14 Cb 0.07 -2.94 -0.04 0.00 -1.56 0.00 0.00 34.95 30.48 1pba s ARG 14 CO -0.04 -0.89 0.15 0.08 -0.81 0.00 0.00 175.30 173.79 1pba s VAL 15 N 1.07 5.36 0.37 7.11 1.01 -1.19 -1.75 120.40 132.39 1pba s VAL 15 Ca 0.08 -0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.13 1pba s VAL 15 Cb -0.19 -3.41 -0.07 0.00 0.00 0.00 0.00 36.38 32.71 1pba s VAL 15 CO -0.10 0.48 -0.05 0.21 0.00 0.00 0.00 175.10 175.63 1pba s ASN 16 N -1.46 3.81 -0.08 3.32 2.47 0.04 -2.33 114.94 120.71 1pba s ASN 16 Ca 0.21 -1.26 0.02 0.00 0.42 0.00 0.00 52.86 52.25 1pba s ASN 16 Cb -0.12 -0.38 0.01 0.00 -1.45 0.00 0.00 41.25 39.32 1pba s ASN 16 CO 0.11 -0.30 -0.13 -0.69 -3.72 0.00 0.00 177.10 172.36 1pba s VAL 17 N -2.65 1.27 -0.18 -5.21 1.01 -0.75 -4.34 120.40 109.56 1pba s VAL 17 Ca 0.34 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 1pba s VAL 17 Cb 0.05 -1.17 -0.10 0.00 0.00 0.00 0.00 36.38 35.16 1pba s VAL 17 CO 0.17 0.39 -0.19 -0.62 0.00 0.00 0.00 175.10 174.85 1pba n GLU 18 N 4.00 0.43 0.00 2.72 -0.58 -1.26 -1.13 120.64 124.82 1pba n GLU 18 Ca -0.21 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 1pba n GLU 18 Cb 0.52 -1.29 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 1pba n GLU 18 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1pba n ASP 19 N -3.32 1.02 0.09 1.62 8.00 -1.26 -3.89 116.55 118.81 1pba n ASP 19 Ca -0.34 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.05 1pba n ASP 19 Cb 0.81 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.84 1pba n ASP 19 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1pba h GLU 20 N 0.00 0.20 -0.67 -1.24 3.07 -1.97 -3.29 114.58 110.68 1pba h GLU 20 Ca 0.00 -0.28 0.10 0.00 -0.50 0.00 0.00 59.36 58.68 1pba h GLU 20 Cb 0.00 0.09 -0.12 0.00 -0.84 0.00 0.00 28.75 27.89 1pba h GLU 20 CO 0.00 1.06 -0.42 -0.97 -1.40 0.00 0.00 179.01 177.27 1pba h ASN 21 N 0.09 -1.49 0.00 1.42 -1.24 -1.98 0.46 115.58 112.85 1pba h ASN 21 Ca -0.07 0.26 0.00 0.00 0.71 0.00 0.00 56.30 57.20 1pba h ASN 21 Cb 1.70 0.70 0.00 0.00 0.73 0.00 0.00 38.32 41.45 1pba h ASN 21 CO 0.16 -0.32 0.03 0.47 -1.29 0.00 0.00 177.43 176.48 1pba n ASP 22 N -5.41 0.22 -0.07 1.15 8.00 -1.24 0.02 116.55 119.21 1pba n ASP 22 Ca 0.03 0.58 -0.10 0.00 0.71 0.00 0.00 54.79 56.02 1pba n ASP 22 Cb 0.35 -0.60 -0.03 0.00 -0.02 0.00 0.00 41.12 40.82 1pba n ASP 22 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1pba n ILE 23 N -1.78 1.44 -0.29 0.53 5.41 0.86 -4.14 119.36 121.40 1pba n ILE 23 Ca -0.01 0.12 0.08 0.00 1.00 0.00 0.00 62.75 63.95 1pba n ILE 23 Cb 0.04 -2.19 0.20 0.00 -0.71 0.00 0.00 39.64 36.99 1pba n ILE 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1pba h SER 24 N -0.85 -0.41 -0.58 4.38 0.02 0.12 0.64 113.55 116.87 1pba h SER 24 Ca -0.07 0.23 0.12 0.00 -0.84 0.00 0.00 61.79 61.22 1pba h SER 24 Cb 0.93 0.40 -0.10 0.00 0.14 0.00 0.00 62.40 63.77 1pba h SER 24 CO -0.04 -0.24 -0.01 -0.33 -1.14 0.00 0.00 176.83 175.07 1pba h GLU 25 N 0.07 0.11 -0.71 3.45 4.39 -0.61 0.33 114.58 121.61 1pba h GLU 25 Ca 0.48 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.15 1pba h GLU 25 Cb 0.88 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.48 1pba h GLU 25 CO -0.77 0.07 0.35 -0.07 -1.16 0.00 0.00 179.01 177.43 1pba h LEU 26 N 0.11 0.92 0.25 1.33 3.38 0.06 -2.79 115.31 118.57 1pba h LEU 26 Ca 0.30 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1pba h LEU 26 Cb 0.47 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1pba h LEU 26 CO -0.50 0.77 -0.12 0.45 0.09 0.00 0.00 178.44 179.13 1pba h HIS 27 N 1.01 -0.31 -0.94 1.13 3.86 0.10 -3.06 115.15 116.94 1pba h HIS 27 Ca 0.25 -0.01 0.28 0.00 -1.16 0.00 0.00 60.37 59.73 1pba h HIS 27 Cb 0.10 0.10 -0.15 0.00 1.06 0.00 0.00 27.41 28.52 1pba h HIS 27 CO 0.01 -0.06 0.36 0.93 0.86 0.00 0.00 177.93 180.03 1pba h GLU 28 N -0.53 0.22 -0.28 2.45 4.39 -0.30 0.33 114.58 120.86 1pba h GLU 28 Ca -0.03 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.58 1pba h GLU 28 Cb 0.39 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 1pba h GLU 28 CO 0.06 0.14 -0.14 1.25 -1.16 0.00 0.00 179.01 179.16 1pba h LEU 29 N 0.22 0.46 -0.95 1.33 7.12 -1.40 -2.92 115.31 119.18 1pba h LEU 29 Ca 0.64 -0.12 0.28 0.00 0.13 0.00 0.00 57.88 58.81 1pba h LEU 29 Cb 1.40 -0.12 -0.17 0.00 -0.53 0.00 0.00 40.66 41.24 1pba h LEU 29 CO -0.67 0.63 0.15 0.00 -0.13 0.00 0.00 178.44 178.43 1pba h ALA 30 N 1.42 1.31 -0.82 1.25 0.00 -0.30 0.49 119.26 122.62 1pba h ALA 30 Ca 0.08 0.29 0.16 0.00 0.00 0.00 0.00 54.91 55.44 1pba h ALA 30 Cb 0.51 0.47 -0.15 0.00 0.00 0.00 0.00 17.79 18.62 1pba h ALA 30 CO 0.03 -0.59 -0.22 0.43 0.00 0.00 0.00 179.25 178.91 1pba n SER 31 N -5.38 -0.32 -0.54 0.00 7.64 -1.10 0.30 113.62 114.22 1pba n SER 31 Ca 0.24 1.42 0.06 0.00 1.01 0.00 0.00 58.87 61.60 1pba n SER 31 Cb 0.80 -0.42 0.08 0.00 -1.01 0.00 0.00 64.21 63.66 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 -5.33 0.26 -2.42 0.44 -2.24 0.26 -4.98 114.28 100.27 1pba n THR 32 Ca 0.13 -0.63 -0.11 0.00 -2.27 0.00 0.00 64.05 61.17 1pba n THR 32 Cb 0.40 1.06 -0.02 0.00 -2.10 0.00 0.00 70.33 69.67 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 0.66 -0.93 0.23 -0.78 0.63 0.15 -4.69 116.66 111.93 1pba n ARG 33 Ca 0.09 0.04 0.16 0.00 -0.92 0.00 0.00 57.85 57.21 1pba n ARG 33 Cb 0.34 -1.21 0.80 0.00 0.45 0.00 0.00 32.46 32.84 1pba n ARG 33 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1pba h GLN 34 N -0.15 0.00 0.00 -0.14 4.20 -1.86 -3.42 115.11 113.73 1pba h GLN 34 Ca -0.16 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 57.97 1pba h GLN 34 Cb 0.37 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.07 1pba h GLN 34 CO 0.23 0.00 -0.36 0.44 -0.67 0.00 0.00 178.83 178.48 1pba n ILE 35 N -2.64 0.00 -4.26 2.54 -6.64 -1.26 -5.06 119.36 102.04 1pba n ILE 35 Ca -0.01 -2.15 -0.16 0.00 -1.77 0.00 0.00 62.75 58.66 1pba n ILE 35 Cb 0.12 0.21 -0.09 0.00 -1.44 0.00 0.00 39.64 38.43 1pba n ILE 35 CO 0.00 0.00 0.00 -1.81 -1.77 0.00 0.00 176.55 172.97 1pba s ASP 36 N -3.80 0.98 0.18 7.28 1.01 -1.09 -5.04 116.67 116.19 1pba s ASP 36 Ca 0.14 -1.54 0.01 0.00 0.71 0.00 0.00 52.55 51.87 1pba s ASP 36 Cb -0.01 0.42 -0.00 0.00 1.01 0.00 0.00 42.92 44.34 1pba s ASP 36 CO 0.09 -0.91 0.04 0.49 0.21 0.00 0.00 175.17 175.08 1pba n PHE 37 N -0.46 0.22 0.08 4.23 3.01 -1.26 -1.28 117.46 122.00 1pba n PHE 37 Ca 0.03 -1.06 0.00 0.00 1.01 0.00 0.00 57.45 57.43 1pba n PHE 37 Cb 0.65 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 40.06 1pba n PHE 37 CO 0.00 0.00 0.00 1.87 1.01 0.00 0.00 176.76 179.64 1pba n TRP 38 N -0.43 -2.83 -3.73 1.38 -0.00 -0.91 -4.12 117.44 106.79 1pba n TRP 38 Ca -0.05 0.49 -0.28 0.00 -0.00 0.00 0.00 57.50 57.66 1pba n TRP 38 Cb 0.26 1.51 -0.12 0.00 -0.00 0.00 0.00 31.31 32.96 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 -1.33 1.75 0.61 5.87 1.02 -0.33 -2.27 119.74 125.06 1pba s LYS 39 Ca 0.00 -2.66 -0.06 0.00 0.02 0.00 0.00 55.97 53.28 1pba s LYS 39 Cb 0.00 -2.65 0.13 0.00 -0.52 0.00 0.00 37.83 34.79 1pba s LYS 39 CO 0.00 -1.27 0.83 -0.35 -0.92 0.00 0.00 175.35 173.64 1pba n PRO 40 N 2.66 -0.38 -0.12 -1.68 -0.05 -1.26 0.01 135.00 134.18 1pba n PRO 40 Ca 0.18 -1.73 -0.16 0.00 -0.05 0.00 0.00 63.50 61.74 1pba n PRO 40 Cb 0.38 -0.71 -0.13 0.00 -0.05 0.00 0.00 33.50 32.99 1pba n PRO 40 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 175.50 175.05 1pba n ASP 41 N -3.25 1.48 -4.59 3.54 5.75 -0.96 -4.74 116.55 113.79 1pba n ASP 41 Ca 0.12 -0.09 -0.34 0.00 -0.01 0.00 0.00 54.79 54.47 1pba n ASP 41 Cb 0.42 -0.07 -0.10 0.00 -1.03 0.00 0.00 41.12 40.34 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 -6.28 5.40 -1.06 -1.12 0.01 -1.26 -4.54 113.70 104.86 1pba s SER 42 Ca -0.28 0.01 -0.02 0.00 1.31 0.00 0.00 55.95 56.97 1pba s SER 42 Cb 0.08 -1.92 0.31 0.00 0.21 0.00 0.00 66.02 64.70 1pba s SER 42 CO 0.66 0.16 1.73 0.55 0.41 0.00 0.00 173.24 176.76 1pba n VAL 43 N 3.62 5.81 -0.10 3.43 3.14 -1.26 -4.47 118.33 128.49 1pba n VAL 43 Ca -0.17 -5.89 0.00 0.00 -2.96 0.00 0.00 64.34 55.32 1pba n VAL 43 Cb 0.52 -1.76 0.00 0.00 -1.06 0.00 0.00 33.84 31.54 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 0.52 0.39 -1.97 1.55 -2.24 -1.26 -4.71 114.28 106.56 1pba n THR 44 Ca 0.40 -0.65 0.01 0.00 -2.27 0.00 0.00 64.05 61.54 1pba n THR 44 Cb 0.28 0.86 0.01 0.00 -2.10 0.00 0.00 70.33 69.38 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 -0.20 0.07 -3.57 -0.78 0.00 -1.26 -5.07 117.38 106.56 1pba n GLN 45 Ca 0.00 -1.13 -0.37 0.00 0.00 0.00 0.00 57.00 55.50 1pba n GLN 45 Cb 0.13 -0.53 -0.06 0.00 0.00 0.00 0.00 30.24 29.78 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 -0.15 5.21 0.46 -0.39 -1.09 -1.26 -5.08 121.20 118.89 1pba s ILE 46 Ca 0.03 0.64 0.04 0.00 -2.23 0.00 0.00 60.65 59.13 1pba s ILE 46 Cb 0.03 -3.63 -0.05 0.00 -1.58 0.00 0.00 42.46 37.23 1pba s ILE 46 CO -0.01 0.52 0.01 -1.59 -1.23 0.00 0.00 174.94 172.64 1pba s LYS 47 N -0.51 2.07 1.16 2.79 -2.85 -1.26 -5.02 119.74 116.13 1pba s LYS 47 Ca 0.20 -2.24 -0.16 0.00 -1.00 0.00 0.00 55.97 52.76 1pba s LYS 47 Cb -0.15 -1.58 0.20 0.00 -2.06 0.00 0.00 37.83 34.24 1pba s LYS 47 CO 0.09 -0.19 0.44 -2.30 0.10 0.00 0.00 175.35 173.48 1pba n PRO 48 N -1.10 -2.15 -4.18 1.78 -0.02 -1.26 -3.56 135.00 124.51 1pba n PRO 48 Ca -0.11 -0.61 -0.34 0.00 -2.02 0.00 0.00 63.50 60.42 1pba n PRO 48 Cb 0.67 -1.89 -0.03 0.00 -0.02 0.00 0.00 33.50 32.23 1pba n PRO 48 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1pba n HIS 49 N -4.74 -1.68 -4.25 6.00 1.44 -0.28 -4.94 115.22 106.77 1pba n HIS 49 Ca 0.01 0.77 -0.14 0.00 -2.01 0.00 0.00 57.72 56.36 1pba n HIS 49 Cb 0.59 -3.08 -0.10 0.00 0.12 0.00 0.00 29.99 27.51 1pba n HIS 49 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1pba s SER 50 N -3.59 1.29 0.07 4.39 0.01 -1.20 -5.02 113.70 109.65 1pba s SER 50 Ca 0.54 -1.17 0.06 0.00 1.31 0.00 0.00 55.95 56.69 1pba s SER 50 Cb -0.29 0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.01 1pba s SER 50 CO 0.93 -0.56 -0.17 -0.89 0.41 0.00 0.00 173.24 172.96 1pba s THR 51 N -3.62 1.40 0.10 1.44 2.01 -1.26 -1.80 115.64 113.91 1pba s THR 51 Ca 0.24 -1.33 0.02 0.00 0.31 0.00 0.00 61.69 60.93 1pba s THR 51 Cb 0.06 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.24 1pba s THR 51 CO 0.04 -0.07 -0.06 0.68 -0.69 0.00 0.00 174.62 174.52 1pba s VAL 52 N -1.10 0.70 -0.38 3.82 -7.23 -0.98 -4.92 120.40 110.31 1pba s VAL 52 Ca 0.03 -1.94 -0.08 0.00 -1.81 0.00 0.00 61.98 58.17 1pba s VAL 52 Cb -0.09 -1.71 0.05 0.00 0.56 0.00 0.00 36.38 35.19 1pba s VAL 52 CO 0.03 -0.85 0.19 -0.62 -0.31 0.00 0.00 175.10 173.53 1pba s ASP 53 N -3.05 5.53 0.20 4.85 -1.08 0.10 -3.16 116.67 120.07 1pba s ASP 53 Ca 0.12 -1.27 -0.03 0.00 -0.52 0.00 0.00 52.55 50.85 1pba s ASP 53 Cb 0.05 -1.95 -0.05 0.00 -1.46 0.00 0.00 42.92 39.51 1pba s ASP 53 CO -0.04 -0.43 0.43 0.12 0.52 0.00 0.00 175.17 175.77 1pba s PHE 54 N 1.44 3.48 -0.10 -5.34 2.19 -1.16 -1.18 117.98 117.30 1pba s PHE 54 Ca 0.01 0.50 0.00 0.00 0.33 0.00 0.00 56.93 57.78 1pba s PHE 54 Cb -0.21 -1.97 -0.02 0.00 -1.31 0.00 0.00 43.02 39.51 1pba s PHE 54 CO 0.03 0.35 -0.11 0.50 1.83 0.00 0.00 175.22 177.82 1pba s ARG 55 N -3.13 3.09 0.38 10.12 3.00 -0.40 -2.25 118.95 129.76 1pba s ARG 55 Ca 0.41 -0.64 0.05 0.00 -1.00 0.00 0.00 55.73 54.54 1pba s ARG 55 Cb -0.11 -2.60 -0.03 0.00 0.00 0.00 0.00 34.95 32.21 1pba s ARG 55 CO 0.27 0.40 0.18 0.14 0.00 0.00 0.00 175.30 176.29 1pba s VAL 56 N -0.13 0.38 0.00 7.11 -7.23 -0.85 -2.67 120.40 117.01 1pba s VAL 56 Ca -0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1pba s VAL 56 Cb -0.13 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.42 1pba s VAL 56 CO 0.03 0.00 0.00 2.29 -0.31 0.00 0.00 175.10 177.11 1pba n LYS 57 N -0.81 2.75 -1.73 4.82 2.85 -1.26 -0.86 118.16 123.91 1pba n LYS 57 Ca -0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.24 1pba n LYS 57 Cb 0.64 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.02 1pba n LYS 57 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1pba n ALA 58 N -3.00 0.00 0.00 0.58 0.00 -0.84 -4.10 120.51 113.15 1pba n ALA 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pba n ALA 58 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -0.05 0.00 1.02 -1.26 -4.12 120.64 116.23 1pba n GLU 59 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1pba n GLU 59 Cb 0.00 -0.15 -0.06 0.00 -0.02 0.00 0.00 31.44 31.21 1pba n GLU 59 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1pba n ASP 60 N 1.34 3.03 0.00 1.62 5.75 -1.26 -4.88 116.55 122.15 1pba n ASP 60 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.76 1pba n ASP 60 Cb 0.00 0.35 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 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 -2.52 0.00 -0.13 2.12 5.41 -1.26 0.06 119.36 123.05 1pba n ILE 61 Ca -0.16 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.63 1pba n ILE 61 Cb 0.74 0.00 0.07 0.00 -0.71 0.00 0.00 39.64 39.75 1pba n ILE 61 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1pba n LEU 62 N 0.00 -0.10 0.14 1.39 4.77 -1.26 0.17 117.00 122.11 1pba n LEU 62 Ca 0.00 0.63 -0.13 0.00 -0.03 0.00 0.00 56.01 56.47 1pba n LEU 62 Cb 0.00 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 40.82 1pba n LEU 62 CO 0.00 -0.61 0.72 0.00 -1.33 0.00 0.00 177.39 176.17 1pba h ALA 63 N 0.73 -0.42 -0.10 -1.18 0.00 -0.77 -0.85 119.26 116.67 1pba h ALA 63 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1pba h ALA 63 Cb 0.34 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1pba h ALA 63 CO -0.36 -0.77 0.06 0.28 0.00 0.00 0.00 179.25 178.46 1pba h VAL 64 N -0.45 1.02 -0.75 0.00 2.07 0.15 -2.50 116.25 115.78 1pba h VAL 64 Ca 0.00 -0.04 0.14 0.00 0.82 0.00 0.00 66.70 67.62 1pba h VAL 64 Cb 0.43 0.88 -0.14 0.00 -1.52 0.00 0.00 31.29 30.94 1pba h VAL 64 CO -0.06 0.02 -0.26 -0.33 0.02 0.00 0.00 177.57 176.96 1pba h GLU 65 N 0.13 -0.05 -0.86 1.57 4.39 -0.61 0.22 114.58 119.36 1pba h GLU 65 Ca 0.04 0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.90 1pba h GLU 65 Cb -0.01 0.01 -0.16 0.00 -0.10 0.00 0.00 28.75 28.50 1pba h GLU 65 CO -0.01 -0.03 -0.28 0.22 -1.16 0.00 0.00 179.01 177.74 1pba h ASP 66 N -0.05 -1.04 -0.08 1.42 3.58 -0.69 0.89 116.42 120.44 1pba h ASP 66 Ca 0.33 0.27 -0.00 0.00 0.42 0.00 0.00 57.03 58.05 1pba h ASP 66 Cb 0.57 0.61 -0.00 0.00 1.72 0.00 0.00 39.33 42.22 1pba h ASP 66 CO -0.79 -0.29 0.04 0.15 -2.88 0.00 0.00 179.24 175.46 1pba h PHE 67 N -0.03 0.12 0.00 0.28 3.57 -0.60 0.73 116.94 121.01 1pba h PHE 67 Ca 0.37 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.87 1pba h PHE 67 Cb 0.62 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.32 1pba h PHE 67 CO -0.73 0.18 0.00 1.28 -2.23 0.00 0.00 178.31 176.81 1pba n LEU 68 N -4.97 0.33 0.00 0.59 4.77 0.16 -3.14 117.00 114.74 1pba n LEU 68 Ca -0.06 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 1pba n LEU 68 Cb 0.08 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1pba n LEU 68 CO 0.34 -0.38 0.00 1.21 -1.33 0.00 0.00 177.39 177.23 1pba n GLU 69 N -1.86 0.00 -0.26 3.23 2.13 0.28 -0.87 120.64 123.29 1pba n GLU 69 Ca 0.03 0.00 0.19 0.00 0.66 0.00 0.00 57.16 58.04 1pba n GLU 69 Cb 0.21 -0.26 0.35 0.00 0.27 0.00 0.00 31.44 32.02 1pba n GLU 69 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1pba n GLN 70 N -2.09 -0.05 0.03 5.31 6.02 0.25 0.19 117.38 127.03 1pba n GLN 70 Ca 0.00 1.13 -0.16 0.00 -0.01 0.00 0.00 57.00 57.96 1pba n GLN 70 Cb 0.00 -1.91 -0.14 0.00 1.02 0.00 0.00 30.24 29.21 1pba n GLN 70 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1pba h ASN 71 N 0.00 0.33 -3.54 1.08 2.35 -1.68 -3.50 115.58 110.61 1pba h ASN 71 Ca 0.57 -0.55 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1pba h ASN 71 Cb 1.38 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.65 1pba h ASN 71 CO -0.67 1.47 -0.21 1.21 -1.65 0.00 0.00 177.43 177.58 1pba n GLU 72 N -3.39 -0.79 -2.62 0.81 0.00 0.50 -4.97 120.64 110.18 1pba n GLU 72 Ca -0.20 1.02 -0.35 0.00 0.00 0.00 0.00 57.16 57.63 1pba n GLU 72 Cb 1.05 -2.23 0.00 0.00 0.00 0.00 0.00 31.44 30.25 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 -0.01 6.22 -1.41 4.31 4.77 -0.05 -4.88 117.00 125.95 1pba n LEU 73 Ca 0.01 -5.39 0.00 0.00 -0.03 0.00 0.00 56.01 50.59 1pba n LEU 73 Cb 0.03 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 1pba n LEU 73 CO 0.11 2.13 0.00 0.00 -1.33 0.00 0.00 177.39 178.30 1pba n GLN 74 N -0.23 0.00 -4.45 3.23 3.00 -1.26 -3.58 117.38 114.09 1pba n GLN 74 Ca 0.42 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 57.19 1pba n GLN 74 Cb 0.34 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.47 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 -0.96 2.09 0.15 1.08 1.13 -1.26 -0.78 117.35 118.79 1pba s TYR 75 Ca 0.00 -0.54 -0.08 0.00 -1.41 0.00 0.00 57.07 55.04 1pba s TYR 75 Cb 0.00 -1.09 -0.01 0.00 -1.10 0.00 0.00 41.96 39.76 1pba s TYR 75 CO 0.00 0.47 0.24 -1.21 -2.51 0.00 0.00 175.55 172.54 1pba s GLU 76 N -3.63 1.08 -0.75 -3.49 2.02 -0.71 -4.99 118.70 108.22 1pba s GLU 76 Ca 0.29 -1.17 0.03 0.00 0.02 0.00 0.00 54.97 54.14 1pba s GLU 76 Cb 0.01 0.36 0.29 0.00 0.10 0.00 0.00 34.13 34.88 1pba s GLU 76 CO 0.13 -0.38 1.03 0.28 0.02 0.00 0.00 175.26 176.34 1pba n VAL 77 N -0.18 3.45 -0.01 2.63 0.31 -1.26 -3.02 118.33 120.26 1pba n VAL 77 Ca -0.08 -5.52 -0.00 0.00 -0.01 0.00 0.00 64.34 58.73 1pba n VAL 77 Cb 0.63 -1.91 -0.00 0.00 -0.91 0.00 0.00 33.84 31.65 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 0.64 -0.03 -4.48 7.52 4.77 -1.26 -4.44 117.00 119.72 1pba n LEU 78 Ca 0.31 0.05 -0.24 0.00 -0.03 0.00 0.00 56.01 56.09 1pba n LEU 78 Cb 0.38 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.37 1pba n LEU 78 CO 0.47 -0.04 -0.20 -0.63 -1.33 0.00 0.00 177.39 175.67 1pba s ILE 79 N -4.64 0.59 -0.80 -0.08 -1.09 -1.26 -5.05 121.20 108.86 1pba s ILE 79 Ca -0.00 -2.00 -0.02 0.00 -2.23 0.00 0.00 60.65 56.39 1pba s ILE 79 Cb 0.00 -2.40 0.28 0.00 -1.58 0.00 0.00 42.46 38.76 1pba s ILE 79 CO 0.01 0.00 2.17 -3.20 -1.23 0.00 0.00 174.94 172.70 1pba n ASN 80 N -1.24 7.32 -0.01 3.58 5.15 -1.26 -5.05 115.26 123.75 1pba n ASN 80 Ca -0.04 -3.67 0.00 0.00 -0.60 0.00 0.00 54.58 50.27 1pba n ASN 80 Cb 0.65 -1.12 0.00 0.00 -0.53 0.00 0.00 39.78 38.77 1pba n ASN 80 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46