#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 -0.20 -2.96 4.41 -0.00 -1.26 -1.87 115.22 113.34 1pba n HIS 2 Ca 0.00 0.55 -0.24 0.00 -0.00 0.00 0.00 57.72 58.03 1pba n HIS 2 Cb 0.00 -0.52 -0.03 0.00 -0.00 0.00 0.00 29.99 29.44 1pba n HIS 2 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1pba n SER 3 N -4.47 3.48 0.00 0.26 7.64 -1.26 -5.07 113.62 114.21 1pba n SER 3 Ca 0.01 -3.49 0.00 0.00 1.01 0.00 0.00 58.87 56.40 1pba n SER 3 Cb 0.12 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 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 -0.13 -0.50 3.61 0.23 0.00 -0.78 -5.00 105.19 102.61 1pba n GLY 4 Ca 0.29 -2.25 -0.34 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.43 3.70 -0.45 1.61 0.41 -1.26 0.32 118.70 122.60 1pba s GLU 5 Ca 0.00 -0.40 0.05 0.00 -0.41 0.00 0.00 54.97 54.20 1pba s GLU 5 Cb 0.00 -3.05 0.42 0.00 -1.78 0.00 0.00 34.13 29.72 1pba s GLU 5 CO 0.00 0.35 1.16 0.72 -0.49 0.00 0.00 175.26 177.00 1pba n HIS 6 N 3.25 3.37 -2.16 1.61 8.25 -1.26 -4.88 115.22 123.41 1pba n HIS 6 Ca -0.17 -3.05 -0.40 0.00 -0.26 0.00 0.00 57.72 53.84 1pba n HIS 6 Cb 0.53 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.49 1pba n HIS 6 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1pba n PHE 7 N -0.49 2.62 0.07 4.41 3.72 -1.26 -4.47 117.46 122.05 1pba n PHE 7 Ca 0.40 -2.71 -0.21 0.00 -0.05 0.00 0.00 57.45 54.88 1pba n PHE 7 Cb 0.65 -1.63 -0.14 0.00 -0.94 0.00 0.00 39.48 37.42 1pba n PHE 7 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1pba h GLU 8 N 4.41 0.40 0.00 -1.08 5.08 -1.95 -3.50 114.58 117.93 1pba h GLU 8 Ca 0.64 -0.62 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1pba h GLU 8 Cb 0.32 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1pba h GLU 8 CO 1.37 1.27 0.00 0.41 -1.00 0.00 0.00 179.01 181.06 1pba n GLY 9 N 1.54 2.99 3.76 -3.84 0.00 -1.26 -5.09 105.19 103.30 1pba n GLY 9 Ca -0.14 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.93 4.38 0.31 1.61 2.02 -1.26 -4.62 118.70 119.21 1pba s GLU 10 Ca 0.00 2.16 0.04 0.00 0.02 0.00 0.00 54.97 57.19 1pba s GLU 10 Cb 0.00 -3.10 -0.06 0.00 0.10 0.00 0.00 34.13 31.07 1pba s GLU 10 CO 0.00 -0.17 0.03 0.15 0.02 0.00 0.00 175.26 175.28 1pba s LYS 11 N -1.42 1.62 0.15 1.61 1.02 -0.61 -4.96 119.74 117.16 1pba s LYS 11 Ca 0.50 -1.88 0.11 0.00 0.02 0.00 0.00 55.97 54.72 1pba s LYS 11 Cb -0.39 -0.95 -0.04 0.00 -0.52 0.00 0.00 37.83 35.93 1pba s LYS 11 CO 0.49 -0.13 -0.24 0.08 -0.92 0.00 0.00 175.35 174.63 1pba s VAL 12 N -3.22 2.39 0.08 3.17 1.01 -1.26 -0.32 120.40 122.25 1pba s VAL 12 Ca 0.34 -1.83 -0.08 0.00 0.00 0.00 0.00 61.98 60.41 1pba s VAL 12 Cb 0.08 -2.10 -0.00 0.00 0.00 0.00 0.00 36.38 34.35 1pba s VAL 12 CO 0.14 0.01 0.18 -0.36 0.00 0.00 0.00 175.10 175.07 1pba s PHE 13 N -1.32 0.15 -0.19 5.22 0.40 0.12 -4.65 117.98 117.71 1pba s PHE 13 Ca 0.17 -0.56 0.01 0.00 -0.60 0.00 0.00 56.93 55.96 1pba s PHE 13 Cb -0.09 -0.07 0.03 0.00 0.51 0.00 0.00 43.02 43.40 1pba s PHE 13 CO 0.08 -0.52 -0.16 0.50 0.70 0.00 0.00 175.22 175.82 1pba s ARG 14 N -3.67 2.62 0.13 0.44 3.52 -0.68 -1.14 118.95 120.17 1pba s ARG 14 Ca 0.04 -0.84 0.04 0.00 -0.13 0.00 0.00 55.73 54.83 1pba s ARG 14 Cb 0.04 -2.49 -0.04 0.00 -1.56 0.00 0.00 34.95 30.90 1pba s ARG 14 CO -0.10 -0.29 0.14 0.08 -0.81 0.00 0.00 175.30 174.32 1pba s VAL 15 N 1.32 4.65 0.14 7.11 1.01 0.74 0.00 120.40 135.37 1pba s VAL 15 Ca 0.02 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.18 1pba s VAL 15 Cb -0.14 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1pba s VAL 15 CO -0.11 -0.01 0.06 0.20 0.00 0.00 0.00 175.10 175.24 1pba s ASN 16 N -2.82 5.20 -0.04 3.32 0.01 0.23 0.22 114.94 121.04 1pba s ASN 16 Ca 0.31 -0.20 0.02 0.00 -0.71 0.00 0.00 52.86 52.28 1pba s ASN 16 Cb -0.11 -1.27 0.01 0.00 0.41 0.00 0.00 41.25 40.29 1pba s ASN 16 CO 0.24 0.11 -0.08 -0.69 -1.51 0.00 0.00 177.10 175.16 1pba s VAL 17 N -1.60 0.80 -0.09 1.60 1.01 -0.07 -4.63 120.40 117.41 1pba s VAL 17 Ca 0.29 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 61.99 1pba s VAL 17 Cb -0.10 -0.74 -0.08 0.00 0.00 0.00 0.00 36.38 35.45 1pba s VAL 17 CO 0.21 0.27 -0.03 -0.62 0.00 0.00 0.00 175.10 174.92 1pba n GLU 18 N 3.68 1.41 -0.68 2.72 -0.58 -1.26 0.16 120.64 126.09 1pba n GLU 18 Ca -0.22 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.55 1pba n GLU 18 Cb 0.52 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 30.19 1pba n GLU 18 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1pba n ASP 19 N -2.56 0.00 -0.14 1.62 5.75 -1.26 -3.77 116.55 116.19 1pba n ASP 19 Ca -0.16 -0.43 -0.07 0.00 -0.01 0.00 0.00 54.79 54.12 1pba n ASP 19 Cb 0.72 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.82 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 0.56 -0.36 0.11 3.07 -1.99 -3.15 114.58 112.82 1pba h GLU 20 Ca 0.00 -0.03 0.03 0.00 -0.50 0.00 0.00 59.36 58.86 1pba h GLU 20 Cb 0.00 -0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 27.74 1pba h GLU 20 CO 0.00 0.37 -0.21 -1.71 -1.40 0.00 0.00 179.01 176.06 1pba n ASN 21 N -4.80 -0.38 -0.29 1.42 5.15 -1.26 0.49 115.26 115.59 1pba n ASN 21 Ca 0.01 1.24 0.12 0.00 -0.60 0.00 0.00 54.58 55.35 1pba n ASN 21 Cb 0.03 -0.38 0.27 0.00 -0.53 0.00 0.00 39.78 39.17 1pba n ASN 21 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 1pba h ASP 22 N 0.00 -0.02 -0.55 1.20 5.19 -1.93 0.41 116.42 120.73 1pba h ASP 22 Ca 0.06 0.19 -0.07 0.00 -0.62 0.00 0.00 57.03 56.59 1pba h ASP 22 Cb 0.15 0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.90 1pba h ASP 22 CO -0.34 -0.15 0.08 0.40 -3.12 0.00 0.00 179.24 176.11 1pba h ILE 23 N 0.21 1.26 0.69 0.35 2.04 -0.57 -0.10 117.51 121.38 1pba h ILE 23 Ca 0.53 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 1pba h ILE 23 Cb 1.06 0.82 0.01 0.00 -0.74 0.00 0.00 36.82 37.97 1pba h ILE 23 CO -0.65 0.36 -0.33 0.28 0.00 0.00 0.00 178.15 177.81 1pba h SER 24 N 0.81 -0.78 -0.92 1.72 0.02 0.38 0.24 113.55 115.02 1pba h SER 24 Ca 0.17 0.03 0.24 0.00 -0.84 0.00 0.00 61.79 61.38 1pba h SER 24 Cb 0.43 0.20 -0.13 0.00 0.14 0.00 0.00 62.40 63.04 1pba h SER 24 CO 0.01 -0.50 0.43 -0.33 -1.14 0.00 0.00 176.83 175.30 1pba h GLU 25 N -1.03 0.38 -0.22 3.45 5.08 -0.40 1.08 114.58 122.92 1pba h GLU 25 Ca -0.09 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1pba h GLU 25 Cb 0.71 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1pba h GLU 25 CO 0.15 0.25 0.02 1.25 -1.00 0.00 0.00 179.01 179.69 1pba h LEU 26 N 0.39 -0.04 0.30 1.33 6.46 -0.55 -2.88 115.31 120.32 1pba h LEU 26 Ca 0.60 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 58.39 1pba h LEU 26 Cb 1.18 0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 41.14 1pba h LEU 26 CO -0.55 0.01 -0.46 0.45 -0.62 0.00 0.00 178.44 177.27 1pba h HIS 27 N 0.09 -1.29 -0.77 1.25 3.86 0.46 -2.95 115.15 115.80 1pba h HIS 27 Ca 0.10 0.02 0.12 0.00 -1.16 0.00 0.00 60.37 59.45 1pba h HIS 27 Cb 0.11 0.53 -0.12 0.00 1.06 0.00 0.00 27.41 28.99 1pba h HIS 27 CO -0.17 -0.57 -0.31 0.39 0.86 0.00 0.00 177.93 178.14 1pba n GLU 28 N -5.13 -0.19 -0.33 2.45 -0.58 -0.13 -0.70 120.64 116.03 1pba n GLU 28 Ca -0.09 1.19 0.09 0.00 -0.42 0.00 0.00 57.16 57.93 1pba n GLU 28 Cb 0.39 -1.76 0.20 0.00 -0.57 0.00 0.00 31.44 29.69 1pba n GLU 28 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1pba h LEU 29 N 0.00 -0.64 -0.75 -4.62 5.85 -1.32 0.29 115.31 114.12 1pba h LEU 29 Ca 0.26 0.27 0.00 0.00 0.84 0.00 0.00 57.88 59.25 1pba h LEU 29 Cb 0.46 0.51 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1pba h LEU 29 CO -0.77 -0.31 0.00 0.00 -0.34 0.00 0.00 178.44 177.02 1pba n ALA 30 N -3.29 1.70 -0.05 1.25 0.00 0.12 -1.75 120.51 118.48 1pba n ALA 30 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.60 1pba n ALA 30 Cb 0.59 -1.00 -0.16 0.00 0.00 0.00 0.00 19.45 18.89 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 0.09 0.10 0.01 0.00 7.64 0.10 -4.74 113.62 116.82 1pba n SER 31 Ca 0.00 0.04 -0.03 0.00 1.01 0.00 0.00 58.87 59.90 1pba n SER 31 Cb 0.08 1.26 -0.01 0.00 -1.01 0.00 0.00 64.21 64.53 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 -2.59 0.76 -4.32 0.44 -2.24 -0.72 -5.01 114.28 100.59 1pba n THR 32 Ca -0.20 0.16 -0.34 0.00 -2.27 0.00 0.00 64.05 61.40 1pba n THR 32 Cb 0.92 -1.63 -0.15 0.00 -2.10 0.00 0.00 70.33 67.38 1pba n THR 32 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1pba s ARG 33 N -2.10 3.29 -0.17 -0.78 0.52 -0.95 -5.10 118.95 113.66 1pba s ARG 33 Ca -0.05 -0.70 -0.09 0.00 -0.52 0.00 0.00 55.73 54.38 1pba s ARG 33 Cb 0.01 -2.76 -0.05 0.00 0.52 0.00 0.00 34.95 32.68 1pba s ARG 33 CO 0.06 -0.03 0.13 1.14 0.02 0.00 0.00 175.30 176.62 1pba s GLN 34 N 0.98 3.93 0.41 3.54 -2.07 -1.26 -3.73 119.66 121.45 1pba s GLN 34 Ca -0.01 -0.20 0.04 0.00 -1.82 0.00 0.00 55.36 53.37 1pba s GLN 34 Cb -0.15 -3.33 -0.05 0.00 -1.09 0.00 0.00 33.01 28.39 1pba s GLN 34 CO -0.01 0.46 0.04 0.96 -1.32 0.00 0.00 175.29 175.41 1pba s ILE 35 N -0.10 1.37 0.17 3.63 -0.00 -1.26 -4.82 121.20 120.18 1pba s ILE 35 Ca 0.10 -2.00 0.05 0.00 -0.00 0.00 0.00 60.65 58.80 1pba s ILE 35 Cb -0.11 -2.64 -0.04 0.00 -0.00 0.00 0.00 42.46 39.67 1pba s ILE 35 CO 0.00 0.00 0.16 -1.81 -0.00 0.00 0.00 174.94 173.29 1pba s ASP 36 N -3.67 5.62 0.14 4.36 1.01 -1.19 -5.01 116.67 117.92 1pba s ASP 36 Ca 0.27 -0.10 0.07 0.00 0.71 0.00 0.00 52.55 53.49 1pba s ASP 36 Cb 0.07 -1.49 -0.04 0.00 1.01 0.00 0.00 42.92 42.46 1pba s ASP 36 CO 0.13 0.06 -0.15 -0.36 0.21 0.00 0.00 175.17 175.07 1pba s PHE 37 N -1.77 1.51 0.07 4.23 0.40 -1.26 -1.33 117.98 119.83 1pba s PHE 37 Ca 0.31 -0.55 0.00 0.00 -0.60 0.00 0.00 56.93 56.09 1pba s PHE 37 Cb -0.10 -0.77 0.00 0.00 0.51 0.00 0.00 43.02 42.66 1pba s PHE 37 CO 0.24 0.20 0.00 0.91 0.70 0.00 0.00 175.22 177.27 1pba n TRP 38 N 0.35 -0.27 -4.53 0.36 8.01 1.00 -4.94 117.44 117.41 1pba n TRP 38 Ca -0.14 0.05 -0.26 0.00 -1.31 0.00 0.00 57.50 55.84 1pba n TRP 38 Cb 0.58 0.12 -0.10 0.00 -2.01 0.00 0.00 31.31 29.89 1pba n TRP 38 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 1pba s LYS 39 N -2.00 1.85 0.03 -0.99 1.02 -0.14 -4.50 119.74 115.02 1pba s LYS 39 Ca 0.00 -1.94 -0.28 0.00 0.02 0.00 0.00 55.97 53.77 1pba s LYS 39 Cb 0.00 -1.72 -0.15 0.00 -0.52 0.00 0.00 37.83 35.44 1pba s LYS 39 CO 0.00 0.12 1.22 -1.00 -0.92 0.00 0.00 175.35 174.77 1pba h PRO 40 N 1.98 -0.97 0.00 -1.68 0.13 -1.88 -0.71 132.00 128.88 1pba h PRO 40 Ca -0.42 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1pba h PRO 40 Cb 1.25 0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.60 1pba h PRO 40 CO 0.71 -0.65 0.00 -3.47 -0.23 0.00 0.00 178.00 174.36 1pba n ASP 41 N -5.21 0.00 -4.44 1.44 -0.08 -1.26 -5.07 116.55 101.93 1pba n ASP 41 Ca -0.12 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 52.88 1pba n ASP 41 Cb 0.40 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.74 1pba n ASP 41 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1pba s SER 42 N 1.00 3.53 0.32 1.67 0.01 -1.26 -4.72 113.70 114.25 1pba s SER 42 Ca 0.00 -0.81 0.10 0.00 1.31 0.00 0.00 55.95 56.55 1pba s SER 42 Cb 0.00 -0.31 0.98 0.00 0.21 0.00 0.00 66.02 66.90 1pba s SER 42 CO 0.00 0.13 1.49 0.55 0.41 0.00 0.00 173.24 175.82 1pba n VAL 43 N 0.32 -0.40 0.14 3.43 3.14 -1.26 0.83 118.33 124.53 1pba n VAL 43 Ca -0.13 2.02 -0.01 0.00 -2.96 0.00 0.00 64.34 63.26 1pba n VAL 43 Cb 0.55 -3.09 0.22 0.00 -1.06 0.00 0.00 33.84 30.46 1pba n VAL 43 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 1pba h THR 44 N 0.00 1.39 0.00 1.55 1.35 -1.99 -3.06 112.91 112.16 1pba h THR 44 Ca 0.68 -1.88 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 1pba h THR 44 Cb 1.62 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 70.04 1pba h THR 44 CO -0.82 0.54 -0.77 1.67 -0.25 0.00 0.00 175.52 175.89 1pba n GLN 45 N -3.89 0.16 -1.54 4.72 -0.06 0.24 -4.92 117.38 112.09 1pba n GLN 45 Ca -0.01 0.01 -0.37 0.00 -2.00 0.00 0.00 57.00 54.63 1pba n GLN 45 Cb 0.56 -1.57 0.07 0.00 -4.06 0.00 0.00 30.24 25.24 1pba n GLN 45 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 1pba n ILE 46 N -1.78 3.79 -4.59 1.69 -0.00 0.60 -4.81 119.36 114.26 1pba n ILE 46 Ca 0.04 -0.44 -0.27 0.00 -0.00 0.00 0.00 62.75 62.07 1pba n ILE 46 Cb 0.39 -1.25 -0.11 0.00 -0.00 0.00 0.00 39.64 38.67 1pba n ILE 46 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 1pba s LYS 47 N -3.23 1.91 0.70 0.38 3.01 -1.26 -5.03 119.74 116.21 1pba s LYS 47 Ca 0.78 -2.05 -0.12 0.00 -1.01 0.00 0.00 55.97 53.57 1pba s LYS 47 Cb -0.37 -1.62 0.01 0.00 -1.01 0.00 0.00 37.83 34.85 1pba s LYS 47 CO 0.46 -0.01 1.07 -2.14 0.51 0.00 0.00 175.35 175.24 1pba s PRO 48 N -3.69 2.79 -1.33 -1.68 0.02 -1.26 -4.07 135.00 125.77 1pba s PRO 48 Ca 0.34 1.07 -0.05 0.00 0.02 0.00 0.00 61.00 62.39 1pba s PRO 48 Cb 0.08 -1.97 0.02 0.00 0.02 0.00 0.00 34.50 32.65 1pba s PRO 48 CO 0.17 -1.22 0.97 0.72 -0.33 0.00 0.00 177.00 177.32 1pba n HIS 49 N -3.05 -2.33 -3.91 6.54 8.25 0.42 -4.91 115.22 116.24 1pba n HIS 49 Ca 0.08 0.93 -0.09 0.00 -0.26 0.00 0.00 57.72 58.38 1pba n HIS 49 Cb 0.53 -4.69 -0.05 0.00 1.12 0.00 0.00 29.99 26.90 1pba n HIS 49 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1pba s SER 50 N -3.89 -0.14 -0.01 0.41 0.01 -1.02 -5.00 113.70 104.07 1pba s SER 50 Ca 0.28 -0.76 0.07 0.00 1.31 0.00 0.00 55.95 56.85 1pba s SER 50 Cb -0.13 0.58 -0.02 0.00 0.21 0.00 0.00 66.02 66.65 1pba s SER 50 CO 0.77 -1.10 -0.22 0.42 0.41 0.00 0.00 173.24 173.52 1pba s THR 51 N -3.96 1.77 -0.10 1.44 -4.23 -1.26 -0.90 115.64 108.40 1pba s THR 51 Ca 0.17 -0.99 -0.06 0.00 -1.18 0.00 0.00 61.69 59.63 1pba s THR 51 Cb -0.01 -1.48 -0.04 0.00 1.34 0.00 0.00 72.50 72.32 1pba s THR 51 CO 0.04 0.47 0.14 0.54 -0.54 0.00 0.00 174.62 175.28 1pba s VAL 52 N -0.55 5.49 -0.33 2.29 0.11 0.13 -4.24 120.40 123.30 1pba s VAL 52 Ca 0.09 0.15 -0.03 0.00 -2.93 0.00 0.00 61.98 59.26 1pba s VAL 52 Cb -0.09 -3.41 0.06 0.00 -1.53 0.00 0.00 36.38 31.41 1pba s VAL 52 CO -0.01 0.58 0.05 -1.81 -3.33 0.00 0.00 175.10 170.58 1pba s ASP 53 N -1.17 5.03 0.32 3.54 1.11 -0.27 -0.19 116.67 125.05 1pba s ASP 53 Ca 0.17 -1.39 0.03 0.00 0.18 0.00 0.00 52.55 51.53 1pba s ASP 53 Cb -0.12 -1.76 -0.05 0.00 1.07 0.00 0.00 42.92 42.06 1pba s ASP 53 CO 0.06 -0.32 0.09 0.72 1.18 0.00 0.00 175.17 176.90 1pba s PHE 54 N 1.26 1.76 0.29 4.23 -0.71 -0.29 -0.00 117.98 124.51 1pba s PHE 54 Ca -0.02 -1.13 0.06 0.00 -1.04 0.00 0.00 56.93 54.80 1pba s PHE 54 Cb -0.20 -1.10 -0.06 0.00 -1.21 0.00 0.00 43.02 40.45 1pba s PHE 54 CO -0.01 -0.21 -0.03 -0.98 -1.34 0.00 0.00 175.22 172.65 1pba s ARG 55 N -3.89 1.56 -0.04 1.99 1.70 -0.44 0.14 118.95 119.97 1pba s ARG 55 Ca 0.34 -1.81 0.07 0.00 -0.47 0.00 0.00 55.73 53.86 1pba s ARG 55 Cb 0.07 -1.07 -0.02 0.00 -0.57 0.00 0.00 34.95 33.36 1pba s ARG 55 CO 0.15 -0.02 -0.25 0.08 -1.08 0.00 0.00 175.30 174.19 1pba s VAL 56 N -3.09 2.14 0.64 4.99 1.01 0.56 -3.20 120.40 123.45 1pba s VAL 56 Ca 0.31 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1pba s VAL 56 Cb 0.05 -1.76 0.09 0.00 0.00 0.00 0.00 36.38 34.76 1pba s VAL 56 CO 0.12 0.58 0.89 -0.54 0.00 0.00 0.00 175.10 176.15 1pba s LYS 57 N -0.40 2.08 -0.06 2.72 3.01 -1.26 -1.57 119.74 124.25 1pba s LYS 57 Ca 0.04 -1.00 -0.03 0.00 -1.01 0.00 0.00 55.97 53.96 1pba s LYS 57 Cb -0.12 -2.41 -0.12 0.00 -1.01 0.00 0.00 37.83 34.17 1pba s LYS 57 CO 0.01 -1.11 2.90 0.00 0.51 0.00 0.00 175.35 177.66 1pba n ALA 58 N -2.60 5.49 -2.02 5.17 0.00 -1.26 -3.84 120.51 121.45 1pba n ALA 58 Ca 0.12 -1.30 -0.38 0.00 0.00 0.00 0.00 53.44 51.88 1pba n ALA 58 Cb 0.60 -1.79 0.01 0.00 0.00 0.00 0.00 19.45 18.27 1pba n ALA 58 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1pba n GLU 59 N 1.89 3.49 -3.04 0.00 2.13 -1.26 -4.57 120.64 119.27 1pba n GLU 59 Ca 0.28 -3.57 -0.13 0.00 0.66 0.00 0.00 57.16 54.40 1pba n GLU 59 Cb 0.72 -2.33 0.06 0.00 0.27 0.00 0.00 31.44 30.17 1pba n GLU 59 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1pba n ASP 60 N 0.03 -2.72 -0.13 4.31 2.03 -1.26 -4.82 116.55 114.00 1pba n ASP 60 Ca 0.52 -0.41 0.05 0.00 0.52 0.00 0.00 54.79 55.47 1pba n ASP 60 Cb 0.30 -3.66 0.11 0.00 -0.72 0.00 0.00 41.12 37.14 1pba n ASP 60 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1pba n ILE 61 N -3.40 -0.15 0.00 5.18 5.41 -1.25 0.61 119.36 125.75 1pba n ILE 61 Ca -0.15 0.80 0.00 0.00 1.00 0.00 0.00 62.75 64.40 1pba n ILE 61 Cb 0.60 -1.17 0.00 0.00 -0.71 0.00 0.00 39.64 38.36 1pba n ILE 61 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1pba n LEU 62 N -4.34 0.00 -0.02 1.39 0.00 -1.26 -0.25 117.00 112.52 1pba n LEU 62 Ca 0.08 0.00 0.08 0.00 0.00 0.00 0.00 56.01 56.17 1pba n LEU 62 Cb 0.28 0.00 -0.16 0.00 0.00 0.00 0.00 43.42 43.53 1pba n LEU 62 CO -0.03 0.00 -0.80 0.00 0.00 0.00 0.00 177.39 176.56 1pba n ALA 63 N -0.64 2.61 -0.08 1.96 0.00 0.20 -3.33 120.51 121.23 1pba n ALA 63 Ca 0.00 -0.60 -0.12 0.00 0.00 0.00 0.00 53.44 52.71 1pba n ALA 63 Cb 0.00 -0.65 -0.07 0.00 0.00 0.00 0.00 19.45 18.74 1pba n ALA 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pba h VAL 64 N 0.00 0.57 -1.01 0.00 2.07 -0.80 -2.23 116.25 114.85 1pba h VAL 64 Ca -0.07 -1.63 0.23 0.00 0.82 0.00 0.00 66.70 66.06 1pba h VAL 64 Cb 1.12 1.27 -0.11 0.00 -1.52 0.00 0.00 31.29 32.06 1pba h VAL 64 CO 0.00 0.19 0.62 -0.33 0.02 0.00 0.00 177.57 178.08 1pba h GLU 65 N -1.00 0.55 0.00 1.57 5.08 -1.72 0.20 114.58 119.25 1pba h GLU 65 Ca -0.14 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1pba h GLU 65 Cb 0.83 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1pba h GLU 65 CO -0.09 0.36 0.00 -3.47 -1.00 0.00 0.00 179.01 174.81 1pba n ASP 66 N -4.75 0.00 -0.32 1.42 -0.08 -1.21 0.44 116.55 112.05 1pba n ASP 66 Ca 0.25 1.00 0.10 0.00 -1.51 0.00 0.00 54.79 54.63 1pba n ASP 66 Cb 0.74 -0.50 0.23 0.00 2.34 0.00 0.00 41.12 43.93 1pba n ASP 66 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1pba h PHE 67 N 0.00 -0.15 -0.60 -0.67 3.57 -0.50 2.12 116.94 120.70 1pba h PHE 67 Ca 0.00 0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 1pba h PHE 67 Cb 0.00 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 1pba h PHE 67 CO -0.02 -0.39 0.23 -0.07 -2.23 0.00 0.00 178.31 175.84 1pba h LEU 68 N 0.03 0.80 0.00 0.59 3.38 -0.34 -2.12 115.31 117.65 1pba h LEU 68 Ca 0.53 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1pba h LEU 68 Cb 1.00 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1pba h LEU 68 CO -0.88 0.72 -0.01 -0.08 0.09 0.00 0.00 178.44 178.28 1pba h GLU 69 N 0.86 0.00 -0.38 1.13 4.22 0.61 0.14 114.58 121.16 1pba h GLU 69 Ca 0.20 0.00 0.07 0.00 0.08 0.00 0.00 59.36 59.71 1pba h GLU 69 Cb 0.18 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.36 1pba h GLU 69 CO -0.02 0.00 -0.12 0.94 -2.18 0.00 0.00 179.01 177.63 1pba n GLN 70 N -2.20 -0.06 -2.78 1.92 7.27 0.63 0.11 117.38 122.28 1pba n GLN 70 Ca -0.00 0.59 -0.27 0.00 0.07 0.00 0.00 57.00 57.38 1pba n GLN 70 Cb 0.00 -0.87 -0.03 0.00 2.41 0.00 0.00 30.24 31.76 1pba n GLN 70 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1pba n ASN 71 N -4.59 4.56 0.00 1.69 6.94 -0.80 -5.01 115.26 118.06 1pba n ASN 71 Ca 0.05 -3.70 0.00 0.00 -0.02 0.00 0.00 54.58 50.91 1pba n ASN 71 Cb 0.17 -0.52 0.00 0.00 -2.36 0.00 0.00 39.78 37.07 1pba n ASN 71 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1pba n GLU 72 N -0.33 0.00 -2.03 -3.83 4.07 0.31 -4.66 120.64 114.17 1pba n GLU 72 Ca 0.34 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 57.02 1pba n GLU 72 Cb 0.49 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.87 1pba n GLU 72 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1pba n LEU 73 N 0.00 6.68 -2.37 4.31 7.94 0.45 -4.75 117.00 129.26 1pba n LEU 73 Ca 0.00 -4.34 0.00 0.00 -1.11 0.00 0.00 56.01 50.56 1pba n LEU 73 Cb 0.00 -1.59 0.00 0.00 0.53 0.00 0.00 43.42 42.36 1pba n LEU 73 CO 0.00 1.18 0.00 0.00 -1.11 0.00 0.00 177.39 177.46 1pba n GLN 74 N 5.26 -0.37 -4.08 1.96 6.02 -1.26 -4.47 117.38 120.43 1pba n GLN 74 Ca 0.47 -0.19 -0.23 0.00 -0.01 0.00 0.00 57.00 57.04 1pba n GLN 74 Cb 0.38 0.33 -0.06 0.00 1.02 0.00 0.00 30.24 31.91 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 -2.60 2.72 0.01 1.08 1.13 -1.26 0.74 117.35 119.17 1pba s TYR 75 Ca 0.00 -0.37 0.02 0.00 -1.41 0.00 0.00 57.07 55.30 1pba s TYR 75 Cb 0.00 -1.65 -0.01 0.00 -1.10 0.00 0.00 41.96 39.20 1pba s TYR 75 CO 0.00 0.33 -0.07 -2.00 -2.51 0.00 0.00 175.55 171.31 1pba s GLU 76 N -3.85 0.49 -1.01 -3.49 2.12 0.10 -4.95 118.70 108.11 1pba s GLU 76 Ca 0.38 -0.41 -0.02 0.00 0.36 0.00 0.00 54.97 55.28 1pba s GLU 76 Cb -0.03 -0.40 0.27 0.00 0.26 0.00 0.00 34.13 34.23 1pba s GLU 76 CO 0.23 0.10 2.04 0.28 -0.54 0.00 0.00 175.26 177.37 1pba n VAL 77 N 2.41 5.29 -2.45 3.70 0.31 -1.26 -1.68 118.33 124.64 1pba n VAL 77 Ca -0.16 -5.14 -0.19 0.00 -0.01 0.00 0.00 64.34 58.83 1pba n VAL 77 Cb 0.57 -1.60 0.02 0.00 -0.91 0.00 0.00 33.84 31.92 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 0.26 -1.21 -3.85 7.52 4.77 -1.26 -4.66 117.00 118.56 1pba n LEU 78 Ca 0.51 -0.16 -0.40 0.00 -0.03 0.00 0.00 56.01 55.94 1pba n LEU 78 Cb 0.27 -0.82 -0.06 0.00 -2.33 0.00 0.00 43.42 40.48 1pba n LEU 78 CO 0.54 0.04 1.90 2.30 -1.33 0.00 0.00 177.39 180.84 1pba n ILE 79 N -0.35 1.66 0.00 -0.08 -5.35 -1.26 -4.05 119.36 109.93 1pba n ILE 79 Ca -0.07 -1.52 0.00 0.00 -0.27 0.00 0.00 62.75 60.89 1pba n ILE 79 Cb 0.36 -2.25 0.00 0.00 -1.74 0.00 0.00 39.64 36.01 1pba n ILE 79 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1pba n ASN 80 N 9.43 0.00 0.00 7.28 3.02 -1.26 -5.28 115.26 128.45 1pba n ASN 80 Ca 0.48 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.03 1pba n ASN 80 Cb 0.42 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 1pba n ASN 80 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44