#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p9k s SER 2 N 0.00 -0.24 -0.41 1.61 0.01 -1.26 -5.03 113.70 108.38 1p9k s SER 2 Ca 0.00 -2.27 0.01 0.00 1.31 0.00 0.00 55.95 55.00 1p9k s SER 2 Cb 0.00 0.92 0.24 0.00 0.21 0.00 0.00 66.02 67.39 1p9k s SER 2 CO 0.00 -0.10 1.03 0.80 0.41 0.00 0.00 173.24 175.37 1p9k n MET 3 N 2.94 0.41 -3.89 12.44 0.00 -1.26 -5.16 117.12 122.60 1p9k n MET 3 Ca 0.23 -1.25 -0.32 0.00 -0.00 0.00 0.00 57.70 56.35 1p9k n MET 3 Cb 0.53 -0.78 -0.04 0.00 0.00 0.00 0.00 33.22 32.92 1p9k n MET 3 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 175.97 176.93 1p9k s ILE 4 N 0.55 5.38 0.44 1.12 -4.36 -1.26 -5.11 121.20 117.97 1p9k s ILE 4 Ca 0.28 -0.25 -0.05 0.00 -0.26 0.00 0.00 60.65 60.37 1p9k s ILE 4 Cb 0.17 -3.60 0.10 0.00 1.25 0.00 0.00 42.46 40.38 1p9k s ILE 4 CO -0.14 0.20 0.61 1.41 0.24 0.00 0.00 174.94 177.26 1p9k n HIS 5 N 0.53 -3.70 -3.44 1.37 8.25 -1.26 -5.10 115.22 111.87 1p9k n HIS 5 Ca -0.07 -0.69 -0.15 0.00 -0.26 0.00 0.00 57.72 56.55 1p9k n HIS 5 Cb 0.52 -0.46 -0.11 0.00 1.12 0.00 0.00 29.99 31.06 1p9k n HIS 5 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1p9k s ARG 6 N -4.20 0.25 0.00 -0.41 0.52 -1.26 -4.89 118.95 108.96 1p9k s ARG 6 Ca 0.36 0.33 0.00 0.00 -0.52 0.00 0.00 55.73 55.90 1p9k s ARG 6 Cb -0.01 -0.92 0.00 0.00 0.52 0.00 0.00 34.95 34.53 1p9k s ARG 6 CO 0.25 -0.65 0.00 -1.33 0.02 0.00 0.00 175.30 173.58 1p9k n MET 7 N 5.34 0.00 -1.64 3.54 2.81 -1.26 -4.65 117.12 121.26 1p9k n MET 7 Ca -0.05 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 1p9k n MET 7 Cb 0.50 -0.50 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1p9k n MET 7 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1p9k n SER 8 N 0.82 -6.58 -4.15 7.83 7.64 -1.26 -4.93 113.62 112.98 1p9k n SER 8 Ca 0.00 1.00 -0.38 0.00 1.01 0.00 0.00 58.87 60.49 1p9k n SER 8 Cb 0.00 -3.62 -0.06 0.00 -1.01 0.00 0.00 64.21 59.52 1p9k n SER 8 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1p9k s ASN 9 N -0.35 6.03 -1.15 6.43 -0.87 -1.26 -4.97 114.94 118.81 1p9k s ASN 9 Ca 0.00 -3.39 -0.07 0.00 -1.57 0.00 0.00 52.86 47.84 1p9k s ASN 9 Cb 0.00 -1.96 0.26 0.00 -0.02 0.00 0.00 41.25 39.53 1p9k s ASN 9 CO 0.00 -0.28 1.55 0.23 -2.57 0.00 0.00 177.10 176.03 1p9k n MET 10 N 2.83 4.09 -2.42 -0.60 2.81 -1.26 -4.98 117.12 117.59 1p9k n MET 10 Ca 0.18 -4.23 -0.41 0.00 -1.81 0.00 0.00 57.70 51.43 1p9k n MET 10 Cb 0.38 -2.66 -0.03 0.00 -0.71 0.00 0.00 33.22 30.21 1p9k n MET 10 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1p9k s ALA 11 N -1.53 2.72 -0.08 3.04 0.00 -1.26 -4.97 121.76 119.67 1p9k s ALA 11 Ca 0.34 -0.95 -0.00 0.00 0.00 0.00 0.00 51.96 51.35 1p9k s ALA 11 Cb 0.04 -4.18 0.02 0.00 0.00 0.00 0.00 23.12 19.00 1p9k s ALA 11 CO 0.05 -3.18 -0.05 0.95 0.00 0.00 0.00 175.76 173.54 1p9k s THR 12 N 6.25 0.74 0.11 0.00 -4.23 -1.26 -2.34 115.64 114.91 1p9k s THR 12 Ca 0.47 -0.15 0.02 0.00 -1.18 0.00 0.00 61.69 60.85 1p9k s THR 12 Cb -0.10 -0.78 -0.04 0.00 1.34 0.00 0.00 72.50 72.92 1p9k s THR 12 CO 0.21 0.30 0.23 0.12 -0.54 0.00 0.00 174.62 174.94 1p9k s PHE 13 N 1.50 3.45 0.14 3.99 5.36 0.18 -4.98 117.98 127.62 1p9k s PHE 13 Ca -0.01 0.15 0.05 0.00 -0.96 0.00 0.00 56.93 56.16 1p9k s PHE 13 Cb -0.13 -1.68 -0.04 0.00 -0.34 0.00 0.00 43.02 40.83 1p9k s PHE 13 CO -0.04 0.54 0.11 -1.54 -1.46 0.00 0.00 175.22 172.84 1p9k s SER 14 N -2.91 5.49 0.00 6.13 1.04 -1.26 -0.42 113.70 121.77 1p9k s SER 14 Ca 0.34 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1p9k s SER 14 Cb -0.12 -1.44 0.00 0.00 0.10 0.00 0.00 66.02 64.57 1p9k s SER 14 CO 0.27 0.10 0.00 0.18 0.98 0.00 0.00 173.24 174.77 1p9k n LEU 15 N -0.10 1.58 0.00 2.42 4.77 0.16 -4.83 117.00 121.00 1p9k n LEU 15 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1p9k n LEU 15 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1p9k n LEU 15 CO 0.43 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1p9k n GLY 16 N 2.56 1.49 2.39 -0.72 0.00 -1.25 -4.13 105.19 105.53 1p9k n GLY 16 Ca 0.00 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 1p9k n GLY 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1p9k n LYS 17 N 1.25 1.02 -3.99 1.61 0.00 -1.26 -4.70 118.16 112.09 1p9k n LYS 17 Ca 0.00 -3.07 -0.23 0.00 0.00 0.00 0.00 58.31 55.02 1p9k n LYS 17 Cb 0.00 -1.43 -0.05 0.00 0.00 0.00 0.00 35.03 33.55 1p9k n LYS 17 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1p9k s HIS 18 N -2.06 2.75 0.20 5.64 3.76 -1.26 -5.04 115.29 119.28 1p9k s HIS 18 Ca 0.34 -0.39 -0.09 0.00 -0.15 0.00 0.00 55.06 54.77 1p9k s HIS 18 Cb 0.37 -1.75 0.14 0.00 1.11 0.00 0.00 32.58 32.45 1p9k s HIS 18 CO -0.05 0.25 1.78 -1.00 -0.85 0.00 0.00 174.74 174.87 1p9k h PRO 19 N 1.42 1.07 0.00 8.40 0.13 -1.96 -3.48 132.00 137.58 1p9k h PRO 19 Ca -0.44 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 1p9k h PRO 19 Cb 1.25 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1p9k h PRO 19 CO 0.62 0.85 0.00 -2.39 -0.23 0.00 0.00 178.00 176.85 1p9k n HIS 20 N -4.38 0.00 -3.89 1.56 1.44 -1.26 -4.65 115.22 104.03 1p9k n HIS 20 Ca 0.06 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.68 1p9k n HIS 20 Cb 0.15 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.18 1p9k n HIS 20 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 1p9k s VAL 21 N -2.96 0.15 0.07 0.61 -7.23 -1.23 -4.96 120.40 104.84 1p9k s VAL 21 Ca 0.00 -1.22 -0.20 0.00 -1.81 0.00 0.00 61.98 58.75 1p9k s VAL 21 Cb 0.00 -1.28 -0.07 0.00 0.56 0.00 0.00 36.38 35.60 1p9k s VAL 21 CO 0.00 -0.68 0.59 -0.70 -0.31 0.00 0.00 175.10 174.00 1p9k s GLU 22 N -3.62 4.25 0.55 4.82 2.12 -1.26 -3.43 118.70 122.12 1p9k s GLU 22 Ca 0.03 0.77 0.45 0.00 0.36 0.00 0.00 54.97 56.59 1p9k s GLU 22 Cb 0.04 -3.26 1.67 0.00 0.26 0.00 0.00 34.13 32.84 1p9k s GLU 22 CO -0.10 0.59 1.64 1.37 -0.54 0.00 0.00 175.26 178.23 1p9k h LEU 23 N 4.69 0.02 -0.21 2.70 8.10 -1.86 1.12 115.31 129.86 1p9k h LEU 23 Ca -0.49 0.01 -0.20 0.00 0.11 0.00 0.00 57.88 57.31 1p9k h LEU 23 Cb 1.21 0.01 0.01 0.00 -0.44 0.00 0.00 40.66 41.45 1p9k h LEU 23 CO 0.65 -0.01 -0.67 0.00 -4.11 0.00 0.00 178.44 174.30 1p9k h ASP 25 N 0.59 -0.31 -0.36 0.00 5.19 0.90 0.23 116.42 122.66 1p9k h ASP 25 Ca -0.02 -0.17 0.06 0.00 -0.62 0.00 0.00 57.03 56.28 1p9k h ASP 25 Cb 1.29 0.08 -0.05 0.00 0.18 0.00 0.00 39.33 40.82 1p9k h ASP 25 CO 0.14 0.01 0.02 0.25 -3.12 0.00 0.00 179.24 176.55 1p9k h LEU 26 N -0.65 -0.09 0.51 1.55 6.46 -1.45 -1.20 115.31 120.43 1p9k h LEU 26 Ca -0.04 0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.77 1p9k h LEU 26 Cb 0.46 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.52 1p9k h LEU 26 CO 0.06 -0.01 -0.24 -0.07 -0.62 0.00 0.00 178.44 177.56 1p9k h LEU 27 N 0.13 -0.58 -0.62 2.25 4.07 -1.38 -1.12 115.31 118.06 1p9k h LEU 27 Ca 0.17 0.02 0.07 0.00 0.08 0.00 0.00 57.88 58.22 1p9k h LEU 27 Cb 0.23 0.15 -0.10 0.00 1.08 0.00 0.00 40.66 42.02 1p9k h LEU 27 CO -0.27 -0.31 -0.55 0.50 -1.08 0.00 0.00 178.44 176.73 1p9k h LYS 28 N -0.88 -0.24 -0.40 1.13 3.11 -0.51 0.11 116.57 118.89 1p9k h LYS 28 Ca -0.07 0.02 0.05 0.00 -2.81 0.00 0.00 60.65 57.84 1p9k h LYS 28 Cb 0.52 0.05 -0.05 0.00 -1.00 0.00 0.00 32.23 31.76 1p9k h LYS 28 CO 0.11 -0.16 0.12 1.25 -2.81 0.00 0.00 179.45 177.97 1p9k h LEU 29 N -0.25 0.11 -1.40 5.20 6.46 -1.31 0.04 115.31 124.17 1p9k h LEU 29 Ca 0.12 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1p9k h LEU 29 Cb 0.54 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 1p9k h LEU 29 CO -0.72 0.10 0.00 -0.33 -0.62 0.00 0.00 178.44 176.87 1p9k h GLU 30 N 0.28 0.00 0.00 1.25 4.39 0.24 -3.45 114.58 117.28 1p9k h GLU 30 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1p9k h GLU 30 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1p9k h GLU 30 CO -0.20 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.06 1p9k n GLY 31 N -1.01 1.25 0.04 -3.84 0.00 0.16 -5.03 105.19 96.76 1p9k n GLY 31 Ca -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 1p9k n GLY 31 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1p9k h TRP 32 N 0.00 -0.04 -3.30 1.61 4.06 -1.10 -3.46 115.95 113.73 1p9k h TRP 32 Ca 0.00 -0.00 -0.66 0.00 2.06 0.00 0.00 58.89 60.29 1p9k h TRP 32 Cb 0.09 0.01 -0.17 0.00 -1.00 0.00 0.00 29.16 28.10 1p9k h TRP 32 CO 0.00 -0.02 -0.62 0.45 -3.56 0.00 0.00 178.44 174.69 1p9k s SER 33 N -4.50 5.22 0.25 -3.49 0.15 -1.26 -4.98 113.70 105.09 1p9k s SER 33 Ca -0.01 0.07 0.04 0.00 0.70 0.00 0.00 55.95 56.75 1p9k s SER 33 Cb 0.00 -1.66 0.31 0.00 -1.71 0.00 0.00 66.02 62.96 1p9k s SER 33 CO 0.02 0.28 1.61 -0.33 1.20 0.00 0.00 173.24 176.02 1p9k h GLU 34 N 5.86 0.31 0.00 5.44 3.07 -1.91 -3.34 114.58 124.01 1p9k h GLU 34 Ca -0.43 -0.18 -0.30 0.00 -0.50 0.00 0.00 59.36 57.95 1p9k h GLU 34 Cb 1.19 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 29.06 1p9k h GLU 34 CO 0.60 0.74 -2.14 -1.13 -1.40 0.00 0.00 179.01 175.68 1p9k n SER 35 N -3.96 2.41 0.00 1.42 3.41 -1.26 -5.04 113.62 110.60 1p9k n SER 35 Ca -0.02 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 1p9k n SER 35 Cb 0.55 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1p9k n SER 35 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p9k n GLY 36 N 2.51 0.71 0.00 5.00 0.00 -1.25 -4.83 105.19 107.33 1p9k n GLY 36 Ca -0.36 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1p9k n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p9k n ALA 37 N 0.00 0.73 -0.47 4.61 0.00 -1.26 -3.41 120.51 120.71 1p9k n ALA 37 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1p9k n ALA 37 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1p9k n ALA 37 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1p9k n GLN 38 N -0.03 0.00 0.00 0.00 -0.06 -1.26 -2.28 117.38 113.76 1p9k n GLN 38 Ca 0.00 0.39 0.00 0.00 -2.00 0.00 0.00 57.00 55.39 1p9k n GLN 38 Cb 0.38 -1.27 0.00 0.00 -4.06 0.00 0.00 30.24 25.29 1p9k n GLN 38 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1p9k n ALA 39 N -1.49 2.15 -1.86 1.69 0.00 -1.26 -4.76 120.51 114.98 1p9k n ALA 39 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1p9k n ALA 39 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.41 1p9k n ALA 39 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1p9k n LYS 40 N -0.14 -1.21 0.28 0.00 5.02 -0.96 -4.85 118.16 116.30 1p9k n LYS 40 Ca 0.00 0.95 0.19 0.00 -2.02 0.00 0.00 58.31 57.42 1p9k n LYS 40 Cb 0.10 -5.24 0.93 0.00 -0.02 0.00 0.00 35.03 30.81 1p9k n LYS 40 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1p9k h ILE 41 N 0.00 0.00 0.00 -0.18 2.04 -1.80 -1.87 117.51 115.70 1p9k h ILE 41 Ca -0.36 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1p9k h ILE 41 Cb 1.17 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1p9k h ILE 41 CO 0.47 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.62 1p9k n ALA 42 N -2.02 -0.01 -0.28 1.87 0.00 -1.22 -2.11 120.51 116.74 1p9k n ALA 42 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.53 1p9k n ALA 42 Cb 0.15 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.85 1p9k n ALA 42 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1p9k h ILE 43 N 0.00 0.37 0.08 0.00 1.08 -1.87 -2.26 117.51 114.92 1p9k h ILE 43 Ca 0.00 -0.08 -0.00 0.00 -0.39 0.00 0.00 64.86 64.39 1p9k h ILE 43 Cb 0.00 0.13 -0.00 0.00 -3.07 0.00 0.00 36.82 33.87 1p9k h ILE 43 CO 0.00 0.04 -0.10 0.00 -0.69 0.00 0.00 178.15 177.40 1p9k h ALA 44 N 1.73 -0.79 -0.63 1.87 0.00 -1.49 -2.45 119.26 117.49 1p9k h ALA 44 Ca 0.51 -0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.58 1p9k h ALA 44 Cb 0.97 0.37 -0.12 0.00 0.00 0.00 0.00 17.79 19.02 1p9k h ALA 44 CO -0.62 -0.80 0.08 -1.91 0.00 0.00 0.00 179.25 176.01 1p9k n GLU 45 N -2.89 -0.05 0.00 0.00 4.07 -0.87 -0.32 120.64 120.58 1p9k n GLU 45 Ca -0.02 0.93 0.00 0.00 -0.06 0.00 0.00 57.16 58.01 1p9k n GLU 45 Cb 0.09 -1.52 0.00 0.00 -0.06 0.00 0.00 31.44 29.94 1p9k n GLU 45 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1p9k n GLY 46 N -1.28 -2.74 0.15 8.31 0.00 -0.96 -2.34 105.19 106.33 1p9k n GLY 46 Ca 0.17 0.07 0.03 0.00 0.00 0.00 0.00 46.02 46.30 1p9k n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p9k n GLN 47 N -1.43 0.05 0.00 1.61 10.64 0.10 -3.13 117.38 125.22 1p9k n GLN 47 Ca 0.00 0.50 0.00 0.00 -1.83 0.00 0.00 57.00 55.67 1p9k n GLN 47 Cb 0.00 -2.16 0.00 0.00 -0.86 0.00 0.00 30.24 27.22 1p9k n GLN 47 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1p9k n VAL 48 N -1.86 0.00 -3.61 -0.39 0.31 -0.13 -4.87 118.33 107.78 1p9k n VAL 48 Ca -0.00 0.15 -0.00 0.00 -0.01 0.00 0.00 64.34 64.47 1p9k n VAL 48 Cb 0.51 -0.40 -0.06 0.00 -0.91 0.00 0.00 33.84 32.97 1p9k n VAL 48 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1p9k s LYS 49 N -0.05 0.25 0.10 5.55 -0.14 -0.99 -4.92 119.74 119.54 1p9k s LYS 49 Ca 0.00 0.45 0.09 0.00 -1.36 0.00 0.00 55.97 55.14 1p9k s LYS 49 Cb 0.00 0.08 -0.03 0.00 -1.68 0.00 0.00 37.83 36.20 1p9k s LYS 49 CO 0.00 -0.06 -0.22 0.08 -0.76 0.00 0.00 175.35 174.40 1p9k s VAL 50 N 1.35 1.79 -0.84 3.17 1.01 0.17 -0.75 120.40 126.29 1p9k s VAL 50 Ca -0.08 -1.54 -0.22 0.00 0.00 0.00 0.00 61.98 60.14 1p9k s VAL 50 Cb -0.03 -1.61 -0.19 0.00 0.00 0.00 0.00 36.38 34.55 1p9k s VAL 50 CO -0.13 -0.01 2.16 -0.67 0.00 0.00 0.00 175.10 176.45 1p9k n ASP 51 N 1.14 0.90 0.00 3.32 2.03 -0.04 -0.01 116.55 123.89 1p9k n ASP 51 Ca -0.19 -1.69 0.00 0.00 0.52 0.00 0.00 54.79 53.43 1p9k n ASP 51 Cb 0.53 -1.45 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 1p9k n ASP 51 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1p9k n GLY 52 N 6.23 0.57 2.96 0.27 0.00 -1.26 -4.78 105.19 109.18 1p9k n GLY 52 Ca 0.44 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.27 1p9k n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p9k s ALA 53 N -2.00 0.70 -0.26 4.61 0.00 0.99 -5.03 121.76 120.77 1p9k s ALA 53 Ca 0.00 -0.23 0.12 0.00 0.00 0.00 0.00 51.96 51.85 1p9k s ALA 53 Cb 0.00 -0.29 0.46 0.00 0.00 0.00 0.00 23.12 23.30 1p9k s ALA 53 CO 0.00 0.10 1.18 1.55 0.00 0.00 0.00 175.76 178.58 1p9k n VAL 54 N 3.38 2.08 -1.49 0.00 3.14 -1.26 0.41 118.33 124.60 1p9k n VAL 54 Ca -0.19 -3.64 0.00 0.00 -2.96 0.00 0.00 64.34 57.55 1p9k n VAL 54 Cb 0.54 -0.37 0.00 0.00 -1.06 0.00 0.00 33.84 32.95 1p9k n VAL 54 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1p9k n GLU 55 N -0.68 3.91 -2.70 1.45 1.02 -1.26 -4.90 120.64 117.48 1p9k n GLU 55 Ca 0.31 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.38 1p9k n GLU 55 Cb 0.90 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 32.41 1p9k n GLU 55 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1p9k n THR 56 N 0.00 0.00 -2.27 2.62 5.66 -1.26 0.00 114.28 119.03 1p9k n THR 56 Ca 0.00 -1.15 -0.26 0.00 -3.05 0.00 0.00 64.05 59.59 1p9k n THR 56 Cb 0.00 1.19 0.12 0.00 -1.55 0.00 0.00 70.33 70.09 1p9k n THR 56 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1p9k s ARG 57 N 0.16 1.53 -0.04 1.09 0.52 -1.26 -4.73 118.95 116.22 1p9k s ARG 57 Ca 0.19 -0.63 -0.24 0.00 -0.52 0.00 0.00 55.73 54.53 1p9k s ARG 57 Cb 0.28 -2.14 -0.23 0.00 0.52 0.00 0.00 34.95 33.39 1p9k s ARG 57 CO -0.10 -1.67 1.06 -0.22 0.02 0.00 0.00 175.30 174.39 1p9k h LYS 58 N -0.88 0.18 -6.53 3.54 3.64 -1.97 -3.45 116.57 111.10 1p9k h LYS 58 Ca -0.41 -0.18 -0.64 0.00 -1.27 0.00 0.00 60.65 58.14 1p9k h LYS 58 Cb 1.27 0.05 -0.16 0.00 -0.41 0.00 0.00 32.23 32.98 1p9k h LYS 58 CO 0.46 0.90 -0.75 1.03 -2.27 0.00 0.00 179.45 178.82 1p9k s ARG 59 N -3.24 1.95 -0.03 1.90 0.52 -1.26 -4.23 118.95 114.56 1p9k s ARG 59 Ca -0.16 -1.25 0.05 0.00 -0.52 0.00 0.00 55.73 53.85 1p9k s ARG 59 Cb 0.01 -2.13 -0.01 0.00 0.52 0.00 0.00 34.95 33.34 1p9k s ARG 59 CO 0.74 0.45 -0.18 0.00 0.02 0.00 0.00 175.30 176.33 1p9k n LYS 61 N 2.92 3.78 -4.22 0.00 4.01 -1.26 -3.54 118.16 119.85 1p9k n LYS 61 Ca -0.17 -4.48 -0.17 0.00 -0.51 0.00 0.00 58.31 52.98 1p9k n LYS 61 Cb 0.53 -2.54 -0.13 0.00 -0.51 0.00 0.00 35.03 32.38 1p9k n LYS 61 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1p9k s ILE 62 N -1.66 0.69 0.31 -0.18 1.01 -1.26 -5.00 121.20 115.11 1p9k s ILE 62 Ca 0.31 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 60.18 1p9k s ILE 62 Cb -0.06 -0.64 0.01 0.00 0.01 0.00 0.00 42.46 41.77 1p9k s ILE 62 CO -0.03 -0.05 0.50 0.68 0.00 0.00 0.00 174.94 176.04 1p9k s VAL 63 N -0.70 0.00 0.00 2.92 -7.23 -1.26 -3.54 120.40 110.58 1p9k s VAL 63 Ca -0.01 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 1p9k s VAL 63 Cb -0.06 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.35 1p9k s VAL 63 CO 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.79 1p9k n ALA 64 N -0.49 0.00 -2.60 1.32 0.00 -1.26 -4.36 120.51 113.11 1p9k n ALA 64 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 1p9k n ALA 64 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1p9k n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p9k n GLY 65 N 0.00 3.36 3.42 0.00 0.00 -1.23 -2.75 105.19 107.98 1p9k n GLY 65 Ca 0.00 -1.77 -0.23 0.00 0.00 0.00 0.00 46.02 44.02 1p9k n GLY 65 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p9k s GLN 66 N 2.61 1.53 0.19 1.61 -1.52 0.01 -4.89 119.66 119.20 1p9k s GLN 66 Ca 0.47 -1.66 0.10 0.00 -1.95 0.00 0.00 55.36 52.33 1p9k s GLN 66 Cb 0.03 -1.58 -0.04 0.00 -0.22 0.00 0.00 33.01 31.20 1p9k s GLN 66 CO 0.02 0.30 -0.16 0.99 -0.25 0.00 0.00 175.29 176.19 1p9k s THR 67 N -2.46 2.78 0.02 -0.19 2.01 -1.26 0.17 115.64 116.71 1p9k s THR 67 Ca 0.25 -1.86 0.06 0.00 0.31 0.00 0.00 61.69 60.45 1p9k s THR 67 Cb -0.04 -2.37 -0.02 0.00 0.01 0.00 0.00 72.50 70.08 1p9k s THR 67 CO 0.11 -0.13 -0.17 0.54 -0.69 0.00 0.00 174.62 174.29 1p9k s VAL 68 N -1.73 1.35 -0.02 3.82 0.11 0.13 -0.86 120.40 123.19 1p9k s VAL 68 Ca 0.23 -0.94 0.01 0.00 -2.93 0.00 0.00 61.98 58.35 1p9k s VAL 68 Cb -0.08 -1.17 0.02 0.00 -1.53 0.00 0.00 36.38 33.62 1p9k s VAL 68 CO 0.13 0.21 -0.02 -0.44 -3.33 0.00 0.00 175.10 171.64 1p9k s SER 69 N -0.86 0.56 -0.06 3.54 0.01 0.07 -2.16 113.70 114.79 1p9k s SER 69 Ca 0.05 -0.07 -0.02 0.00 1.31 0.00 0.00 55.95 57.22 1p9k s SER 69 Cb -0.08 -0.23 0.04 0.00 0.21 0.00 0.00 66.02 65.97 1p9k s SER 69 CO 0.01 -0.04 0.11 0.12 0.41 0.00 0.00 173.24 173.84 1p9k s PHE 70 N 0.66 -0.08 0.00 2.43 5.36 -0.80 -2.34 117.98 123.21 1p9k s PHE 70 Ca -0.07 0.42 0.00 0.00 -0.96 0.00 0.00 56.93 56.32 1p9k s PHE 70 Cb -0.10 -0.30 0.00 0.00 -0.34 0.00 0.00 43.02 42.28 1p9k s PHE 70 CO -0.01 -0.21 0.00 0.00 -1.46 0.00 0.00 175.22 173.54 1p9k n ALA 71 N 5.01 0.00 -0.13 11.12 0.00 -1.26 0.98 120.51 136.23 1p9k n ALA 71 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1p9k n ALA 71 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1p9k n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p9k n GLY 72 N 0.00 0.34 3.46 0.00 0.00 -1.26 -4.98 105.19 102.75 1p9k n GLY 72 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1p9k n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1p9k s HIS 73 N -0.40 2.88 -0.16 1.61 3.76 0.28 -5.02 115.29 118.23 1p9k s HIS 73 Ca 0.00 -0.45 -0.01 0.00 -0.15 0.00 0.00 55.06 54.45 1p9k s HIS 73 Cb 0.00 -3.93 -0.01 0.00 1.11 0.00 0.00 32.58 29.75 1p9k s HIS 73 CO 0.00 -1.30 -0.12 -1.12 -0.85 0.00 0.00 174.74 171.35 1p9k s SER 74 N 3.09 3.92 0.03 1.40 0.01 -1.26 -1.90 113.70 118.98 1p9k s SER 74 Ca 0.21 -0.41 -0.08 0.00 1.31 0.00 0.00 55.95 56.98 1p9k s SER 74 Cb -0.17 -1.62 -0.00 0.00 0.21 0.00 0.00 66.02 64.44 1p9k s SER 74 CO 0.13 0.09 0.16 -0.69 0.41 0.00 0.00 173.24 173.33 1p9k s VAL 75 N 0.82 0.11 0.24 3.43 1.01 -0.92 -4.87 120.40 120.22 1p9k s VAL 75 Ca -0.04 -0.89 0.09 0.00 0.00 0.00 0.00 61.98 61.14 1p9k s VAL 75 Cb -0.15 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1p9k s VAL 75 CO 0.00 -0.49 -0.00 -1.10 0.00 0.00 0.00 175.10 173.51 1p9k s GLN 76 N -2.28 2.33 0.10 2.72 1.11 -0.99 -0.70 119.66 121.96 1p9k s GLN 76 Ca -0.07 -1.31 0.06 0.00 0.01 0.00 0.00 55.36 54.04 1p9k s GLN 76 Cb -0.03 -2.23 -0.03 0.00 -1.01 0.00 0.00 33.01 29.71 1p9k s GLN 76 CO -0.03 0.39 -0.15 0.08 0.01 0.00 0.00 175.29 175.60 1p9k s VAL 77 N -2.12 1.31 0.06 1.09 1.01 0.44 0.51 120.40 122.70 1p9k s VAL 77 Ca 0.30 -1.54 0.05 0.00 0.00 0.00 0.00 61.98 60.79 1p9k s VAL 77 Cb -0.07 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1p9k s VAL 77 CO 0.19 -0.29 -0.14 0.68 0.00 0.00 0.00 175.10 175.55 1p9k s VAL 78 N -1.67 1.07 0.00 2.92 -7.23 0.44 -0.81 120.40 115.13 1p9k s VAL 78 Ca 0.04 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 1p9k s VAL 78 Cb -0.08 -1.02 0.00 0.00 0.56 0.00 0.00 36.38 35.84 1p9k s VAL 78 CO 0.03 -0.18 0.00 0.00 -0.31 0.00 0.00 175.10 174.64