#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 6.10 1.30 1.61 0.01 -1.26 -5.10 113.70 116.37 1p9k s SER 2 Ca 0.00 0.41 -0.21 0.00 1.31 0.00 0.00 55.95 57.46 1p9k s SER 2 Cb 0.00 -1.83 0.32 0.00 0.21 0.00 0.00 66.02 64.71 1p9k s SER 2 CO 0.00 -0.48 1.00 0.80 0.41 0.00 0.00 173.24 174.98 1p9k n MET 3 N -1.93 -3.54 0.00 12.44 0.00 -1.26 -5.02 117.12 117.81 1p9k n MET 3 Ca -0.02 -1.62 0.00 0.00 0.00 0.00 0.00 57.70 56.06 1p9k n MET 3 Cb 0.57 -1.65 0.00 0.00 0.00 0.00 0.00 33.22 32.13 1p9k n MET 3 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 175.97 177.48 1p9k n ILE 4 N -5.04 0.00 -4.22 1.12 3.06 -1.26 -5.13 119.36 107.89 1p9k n ILE 4 Ca 0.14 0.00 -0.17 0.00 -2.50 0.00 0.00 62.75 60.22 1p9k n ILE 4 Cb 0.57 0.00 -0.11 0.00 0.54 0.00 0.00 39.64 40.64 1p9k n ILE 4 CO 0.00 0.00 0.00 -1.00 -2.50 0.00 0.00 176.55 173.05 1p9k s HIS 5 N -1.00 1.31 -0.12 9.51 3.76 -1.26 -5.15 115.29 122.35 1p9k s HIS 5 Ca 0.00 -0.55 0.00 0.00 -0.15 0.00 0.00 55.06 54.36 1p9k s HIS 5 Cb 0.00 -0.70 -0.02 0.00 1.11 0.00 0.00 32.58 32.97 1p9k s HIS 5 CO 0.00 0.10 -0.13 1.03 -0.85 0.00 0.00 174.74 174.89 1p9k s ARG 6 N -2.53 3.26 -0.48 1.40 1.81 -1.26 -4.78 118.95 116.37 1p9k s ARG 6 Ca 0.06 -0.69 -0.05 0.00 -1.72 0.00 0.00 55.73 53.34 1p9k s ARG 6 Cb -0.05 -2.59 0.01 0.00 -0.45 0.00 0.00 34.95 31.86 1p9k s ARG 6 CO 0.02 0.28 0.51 -0.12 -0.68 0.00 0.00 175.30 175.31 1p9k n MET 7 N 3.34 -1.36 -0.07 3.54 1.56 -1.26 -5.02 117.12 117.84 1p9k n MET 7 Ca -0.18 1.47 -0.15 0.00 -0.27 0.00 0.00 57.70 58.58 1p9k n MET 7 Cb 0.53 -4.79 -0.05 0.00 2.15 0.00 0.00 33.22 31.06 1p9k n MET 7 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1p9k n SER 8 N -1.09 1.43 0.00 6.12 7.64 -1.26 -4.92 113.62 121.55 1p9k n SER 8 Ca 0.04 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1p9k n SER 8 Cb 0.44 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 1p9k n SER 8 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1p9k n ASN 9 N -3.94 2.89 -4.67 6.43 4.13 -1.26 -5.03 115.26 113.81 1p9k n ASN 9 Ca -0.27 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.57 1p9k n ASN 9 Cb 0.61 0.23 -0.03 0.00 -1.54 0.00 0.00 39.78 39.06 1p9k n ASN 9 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 1p9k s MET 10 N -1.61 4.31 0.02 3.52 -1.94 -1.26 -5.02 119.30 117.32 1p9k s MET 10 Ca 0.00 1.31 -0.22 0.00 -1.71 0.00 0.00 55.69 55.07 1p9k s MET 10 Cb 0.00 -3.60 -0.05 0.00 2.01 0.00 0.00 34.83 33.19 1p9k s MET 10 CO 0.00 -0.49 0.67 0.00 -0.01 0.00 0.00 175.02 175.20 1p9k s ALA 11 N 2.67 3.43 -0.05 3.03 0.00 -1.26 -4.70 121.76 124.88 1p9k s ALA 11 Ca 0.44 0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.57 1p9k s ALA 11 Cb -0.16 -2.86 0.01 0.00 0.00 0.00 0.00 23.12 20.11 1p9k s ALA 11 CO 0.11 0.12 -0.09 0.95 0.00 0.00 0.00 175.76 176.84 1p9k s THR 12 N -0.12 0.85 0.34 0.00 -4.23 -1.25 -1.59 115.64 109.64 1p9k s THR 12 Ca 0.34 -0.34 0.08 0.00 -1.18 0.00 0.00 61.69 60.59 1p9k s THR 12 Cb -0.19 -0.79 -0.04 0.00 1.34 0.00 0.00 72.50 72.82 1p9k s THR 12 CO 0.20 0.28 0.18 0.12 -0.54 0.00 0.00 174.62 174.86 1p9k s PHE 13 N 0.57 2.75 -0.10 3.99 5.36 0.11 -4.94 117.98 125.72 1p9k s PHE 13 Ca -0.10 -0.37 -0.06 0.00 -0.96 0.00 0.00 56.93 55.44 1p9k s PHE 13 Cb -0.13 -1.69 -0.04 0.00 -0.34 0.00 0.00 43.02 40.82 1p9k s PHE 13 CO 0.02 0.29 0.12 -1.54 -1.46 0.00 0.00 175.22 172.65 1p9k s SER 14 N -3.89 6.18 0.00 6.13 1.04 -1.26 -0.22 113.70 121.68 1p9k s SER 14 Ca 0.39 0.40 0.00 0.00 0.48 0.00 0.00 55.95 57.21 1p9k s SER 14 Cb -0.03 -1.95 0.00 0.00 0.10 0.00 0.00 66.02 64.14 1p9k s SER 14 CO 0.24 0.39 0.00 -0.11 0.98 0.00 0.00 173.24 174.73 1p9k n LEU 15 N 1.89 0.00 -0.30 2.42 0.00 0.09 -4.87 117.00 116.23 1p9k n LEU 15 Ca -0.19 0.00 0.34 0.00 0.00 0.00 0.00 56.01 56.16 1p9k n LEU 15 Cb 0.54 0.00 0.75 0.00 0.00 0.00 0.00 43.42 44.71 1p9k n LEU 15 CO 0.32 0.00 1.31 1.23 0.00 0.00 0.00 177.39 180.25 1p9k h GLY 16 N 0.00 0.01 0.90 -3.96 0.00 -1.19 0.24 103.07 99.07 1p9k h GLY 16 Ca 0.00 -0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.44 1p9k h GLY 16 CO 0.00 -0.00 0.45 1.70 0.00 0.00 0.00 176.54 178.69 1p9k h LYS 17 N 0.00 0.45 -6.03 4.80 3.64 -1.89 -3.42 116.57 114.12 1p9k h LYS 17 Ca 0.54 -0.03 -0.60 0.00 -1.27 0.00 0.00 60.65 59.30 1p9k h LYS 17 Cb 2.18 -0.10 -0.12 0.00 -0.41 0.00 0.00 32.23 33.78 1p9k h LYS 17 CO -0.01 0.30 -0.66 -1.01 -2.27 0.00 0.00 179.45 175.81 1p9k s HIS 18 N -5.44 2.48 0.40 1.91 3.76 0.83 -5.03 115.29 114.20 1p9k s HIS 18 Ca -0.08 -0.42 0.11 0.00 -0.15 0.00 0.00 55.06 54.51 1p9k s HIS 18 Cb 0.20 -1.37 0.90 0.00 1.11 0.00 0.00 32.58 33.42 1p9k s HIS 18 CO 0.76 0.55 1.95 -1.00 -0.85 0.00 0.00 174.74 176.15 1p9k h PRO 19 N 1.93 0.55 0.00 8.40 0.13 -1.83 -3.47 132.00 137.72 1p9k h PRO 19 Ca -0.42 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1p9k h PRO 19 Cb 1.25 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1p9k h PRO 19 CO 0.66 0.36 0.00 -2.39 -0.23 0.00 0.00 178.00 176.41 1p9k n HIS 20 N -4.49 0.00 -3.99 1.56 1.44 -1.26 -4.82 115.22 103.66 1p9k n HIS 20 Ca 0.12 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.73 1p9k n HIS 20 Cb 0.36 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.39 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 -2.36 0.09 0.12 0.61 -7.23 -1.24 -4.97 120.40 105.43 1p9k s VAL 21 Ca 0.00 -1.50 0.01 0.00 -1.81 0.00 0.00 61.98 58.69 1p9k s VAL 21 Cb 0.00 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 1p9k s VAL 21 CO 0.00 -0.42 0.26 -1.83 -0.31 0.00 0.00 175.10 172.80 1p9k s GLU 22 N -3.97 3.45 0.35 4.82 -1.05 -1.26 -3.95 118.70 117.09 1p9k s GLU 22 Ca 0.16 -0.53 0.14 0.00 -0.15 0.00 0.00 54.97 54.60 1p9k s GLU 22 Cb 0.05 -2.99 1.13 0.00 -0.44 0.00 0.00 34.13 31.88 1p9k s GLU 22 CO -0.02 0.55 1.59 -0.07 0.95 0.00 0.00 175.26 178.26 1p9k h LEU 23 N 2.46 0.14 -0.40 1.83 3.38 -1.79 0.57 115.31 121.50 1p9k h LEU 23 Ca -0.47 0.25 -0.17 0.00 0.09 0.00 0.00 57.88 57.58 1p9k h LEU 23 Cb 1.18 0.30 -0.00 0.00 0.09 0.00 0.00 40.66 42.23 1p9k h LEU 23 CO 0.71 -0.36 -0.50 0.00 0.09 0.00 0.00 178.44 178.38 1p9k h ASP 25 N 0.62 -0.87 -0.89 0.00 5.19 -0.28 0.20 116.42 120.39 1p9k h ASP 25 Ca 0.03 0.03 0.17 0.00 -0.62 0.00 0.00 57.03 56.64 1p9k h ASP 25 Cb 1.08 0.23 -0.10 0.00 0.18 0.00 0.00 39.33 40.72 1p9k h ASP 25 CO 0.11 -0.55 0.45 0.25 -3.12 0.00 0.00 179.24 176.38 1p9k h LEU 26 N -1.18 0.51 0.32 1.55 5.85 -1.35 -1.68 115.31 119.33 1p9k h LEU 26 Ca -0.11 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1p9k h LEU 26 Cb 0.79 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1p9k h LEU 26 CO 0.17 0.17 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.22 1p9k h LEU 27 N 0.58 -0.37 -0.57 2.25 4.07 -1.39 -2.38 115.31 117.52 1p9k h LEU 27 Ca 0.51 0.01 0.06 0.00 0.08 0.00 0.00 57.88 58.54 1p9k h LEU 27 Cb 0.81 0.09 -0.08 0.00 1.08 0.00 0.00 40.66 42.56 1p9k h LEU 27 CO -0.41 -0.16 -0.49 0.50 -1.08 0.00 0.00 178.44 176.80 1p9k h LYS 28 N -0.64 -0.19 -0.97 1.13 3.11 -0.43 0.47 116.57 119.06 1p9k h LYS 28 Ca -0.04 0.01 0.12 0.00 -2.81 0.00 0.00 60.65 57.93 1p9k h LYS 28 Cb 0.33 0.04 -0.08 0.00 -1.00 0.00 0.00 32.23 31.52 1p9k h LYS 28 CO 0.07 -0.13 0.60 -0.07 -2.81 0.00 0.00 179.45 177.11 1p9k h LEU 29 N -0.20 0.86 -0.72 5.20 3.38 -1.45 0.12 115.31 122.51 1p9k h LEU 29 Ca 0.09 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1p9k h LEU 29 Cb 0.44 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1p9k h LEU 29 CO -0.64 0.46 0.00 -0.62 0.09 0.00 0.00 178.44 177.73 1p9k n GLU 30 N -4.66 0.19 -0.14 1.13 -0.58 -0.03 -4.86 120.64 111.70 1p9k n GLU 30 Ca 0.18 0.43 0.00 0.00 -0.42 0.00 0.00 57.16 57.35 1p9k n GLU 30 Cb 0.35 -1.87 0.00 0.00 -0.57 0.00 0.00 31.44 29.35 1p9k n GLU 30 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p9k n GLY 31 N -0.07 0.99 0.05 0.62 0.00 0.42 -5.03 105.19 102.18 1p9k n GLY 31 Ca 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.10 -3.31 1.61 4.06 -1.17 -3.46 115.95 113.58 1p9k h TRP 32 Ca 0.00 -0.00 -0.66 0.00 2.06 0.00 0.00 58.89 60.28 1p9k h TRP 32 Cb 0.01 0.03 -0.16 0.00 -1.00 0.00 0.00 29.16 28.04 1p9k h TRP 32 CO 0.00 -0.06 -0.62 0.45 -3.56 0.00 0.00 178.44 174.65 1p9k s SER 33 N -3.63 5.21 0.24 -3.49 0.15 -1.26 -4.97 113.70 105.96 1p9k s SER 33 Ca -0.02 0.09 0.03 0.00 0.70 0.00 0.00 55.95 56.75 1p9k s SER 33 Cb 0.00 -1.59 0.27 0.00 -1.71 0.00 0.00 66.02 62.99 1p9k s SER 33 CO 0.05 0.32 1.59 -0.08 1.20 0.00 0.00 173.24 176.31 1p9k h GLU 34 N 5.61 0.35 0.00 5.44 4.81 -1.90 -3.38 114.58 125.50 1p9k h GLU 34 Ca -0.46 -0.21 -0.15 0.00 -0.13 0.00 0.00 59.36 58.41 1p9k h GLU 34 Cb 1.19 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 1p9k h GLU 34 CO 0.58 0.79 -1.36 -1.13 -0.73 0.00 0.00 179.01 177.16 1p9k n SER 35 N -3.95 1.56 0.00 1.04 3.41 -1.26 -5.06 113.62 109.37 1p9k n SER 35 Ca -0.02 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1p9k n SER 35 Cb 0.57 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 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 1.91 1.78 0.00 5.00 0.00 -1.26 -4.87 105.19 107.76 1p9k n GLY 36 Ca -0.23 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 1.89 -0.63 4.61 0.00 -1.26 -1.73 120.51 123.39 1p9k n ALA 37 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 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 -0.47 0.00 0.00 0.00 -0.06 -1.26 -2.34 117.38 113.25 1p9k n GLN 38 Ca 0.00 0.37 0.00 0.00 -2.00 0.00 0.00 57.00 55.37 1p9k n GLN 38 Cb 0.02 -1.18 0.00 0.00 -4.06 0.00 0.00 30.24 25.01 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 -1.30 2.32 -1.72 1.69 0.00 -1.26 -4.78 120.51 115.45 1p9k n ALA 39 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1p9k n ALA 39 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 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 -0.17 -0.89 0.25 0.00 4.76 -0.99 -4.87 118.16 116.25 1p9k n LYS 40 Ca 0.00 0.78 0.17 0.00 -2.87 0.00 0.00 58.31 56.39 1p9k n LYS 40 Cb 0.12 -4.86 0.89 0.00 -1.84 0.00 0.00 35.03 29.34 1p9k n LYS 40 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1p9k h ILE 41 N 0.00 0.43 0.00 -0.18 5.03 -1.81 0.24 117.51 121.23 1p9k h ILE 41 Ca -0.26 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.48 1p9k h ILE 41 Cb 0.97 0.89 0.00 0.00 -3.03 0.00 0.00 36.82 35.65 1p9k h ILE 41 CO 0.35 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 177.82 1p9k n ALA 42 N -2.29 -0.03 -0.31 1.87 0.00 -0.70 -2.04 120.51 117.01 1p9k n ALA 42 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.56 1p9k n ALA 42 Cb 0.23 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.98 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 0.54 0.07 0.00 1.08 -1.83 -2.43 117.51 114.95 1p9k h ILE 43 Ca 0.00 -0.16 -0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1p9k h ILE 43 Cb 0.00 0.02 -0.00 0.00 -3.07 0.00 0.00 36.82 33.77 1p9k h ILE 43 CO 0.00 0.09 -0.05 0.00 -0.69 0.00 0.00 178.15 177.50 1p9k h ALA 44 N 1.68 -0.92 -0.49 1.87 0.00 -1.10 -2.66 119.26 117.64 1p9k h ALA 44 Ca 0.55 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.60 1p9k h ALA 44 Cb 1.00 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 1p9k h ALA 44 CO -0.49 -0.92 0.10 -1.91 0.00 0.00 0.00 179.25 176.04 1p9k n GLU 45 N -2.45 -0.04 0.00 0.00 4.07 -0.86 0.06 120.64 121.41 1p9k n GLU 45 Ca -0.01 0.71 0.00 0.00 -0.06 0.00 0.00 57.16 57.80 1p9k n GLU 45 Cb 0.05 -1.19 0.00 0.00 -0.06 0.00 0.00 31.44 30.24 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 -1.20 -2.71 0.10 8.31 0.00 -1.05 -2.46 105.19 106.18 1p9k n GLY 46 Ca 0.14 0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.28 0.04 0.00 1.61 10.64 0.11 -3.65 117.38 124.85 1p9k n GLN 47 Ca 0.00 0.41 0.00 0.00 -1.83 0.00 0.00 57.00 55.58 1p9k n GLN 47 Cb 0.00 -2.00 0.00 0.00 -0.86 0.00 0.00 30.24 27.38 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 -1.67 0.00 -3.54 -0.39 0.31 0.17 -4.86 118.33 108.35 1p9k n VAL 48 Ca -0.00 0.02 -0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1p9k n VAL 48 Cb 0.38 -0.27 -0.05 0.00 -0.91 0.00 0.00 33.84 32.99 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 0.00 0.43 0.16 5.55 -0.14 -1.03 -4.81 119.74 119.90 1p9k s LYS 49 Ca 0.00 0.98 0.10 0.00 -1.36 0.00 0.00 55.97 55.69 1p9k s LYS 49 Cb 0.00 0.48 -0.04 0.00 -1.68 0.00 0.00 37.83 36.58 1p9k s LYS 49 CO 0.00 -0.13 -0.19 0.08 -0.76 0.00 0.00 175.35 174.35 1p9k s VAL 50 N 2.31 2.72 -0.82 3.17 1.01 -0.87 -0.39 120.40 127.53 1p9k s VAL 50 Ca -0.05 -1.72 -0.31 0.00 0.00 0.00 0.00 61.98 59.89 1p9k s VAL 50 Cb -0.07 -2.28 -0.18 0.00 0.00 0.00 0.00 36.38 33.84 1p9k s VAL 50 CO -0.18 -0.01 2.57 -0.67 0.00 0.00 0.00 175.10 176.81 1p9k n ASP 51 N 0.47 0.84 -1.53 3.32 -0.08 0.10 0.13 116.55 119.81 1p9k n ASP 51 Ca -0.14 0.09 -0.18 0.00 -1.51 0.00 0.00 54.79 53.05 1p9k n ASP 51 Cb 0.54 -1.08 -0.07 0.00 2.34 0.00 0.00 41.12 42.86 1p9k n ASP 51 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1p9k n GLY 52 N 6.48 1.38 2.43 0.27 0.00 -1.26 -4.85 105.19 109.64 1p9k n GLY 52 Ca 0.58 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 46.26 1p9k n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p9k n ALA 53 N 0.73 1.40 -2.08 4.61 0.00 0.35 -5.03 120.51 120.49 1p9k n ALA 53 Ca -0.19 -2.64 -0.42 0.00 0.00 0.00 0.00 53.44 50.20 1p9k n ALA 53 Cb 0.61 -0.97 -0.00 0.00 0.00 0.00 0.00 19.45 19.09 1p9k n ALA 53 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1p9k n VAL 54 N 2.25 4.35 -2.75 0.00 3.14 -1.25 -2.04 118.33 122.03 1p9k n VAL 54 Ca 0.23 -3.99 0.00 0.00 -2.96 0.00 0.00 64.34 57.62 1p9k n VAL 54 Cb 0.53 -2.37 0.00 0.00 -1.06 0.00 0.00 33.84 30.94 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 3.83 1.88 -2.50 1.45 -0.58 -1.26 -4.97 120.64 118.49 1p9k n GLU 55 Ca 0.49 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 57.23 1p9k n GLU 55 Cb 0.33 0.00 0.06 0.00 -0.57 0.00 0.00 31.44 31.26 1p9k n GLU 55 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 1p9k n THR 56 N -0.54 0.72 -2.53 2.62 5.66 -1.26 -1.44 114.28 117.51 1p9k n THR 56 Ca 0.00 -2.03 -0.23 0.00 -3.05 0.00 0.00 64.05 58.73 1p9k n THR 56 Cb 0.00 1.15 0.09 0.00 -1.55 0.00 0.00 70.33 70.01 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 -2.13 1.93 0.02 1.09 0.52 -1.26 -4.48 118.95 114.63 1p9k s ARG 57 Ca 0.22 -0.90 -0.17 0.00 -0.52 0.00 0.00 55.73 54.36 1p9k s ARG 57 Cb 0.34 -2.34 -0.31 0.00 0.52 0.00 0.00 34.95 33.17 1p9k s ARG 57 CO -0.08 -1.26 1.03 -0.22 0.02 0.00 0.00 175.30 174.78 1p9k h LYS 58 N -0.42 0.51 -6.03 3.54 3.64 -1.90 -3.38 116.57 112.53 1p9k h LYS 58 Ca -0.39 -0.74 -0.54 0.00 -1.27 0.00 0.00 60.65 57.71 1p9k h LYS 58 Cb 1.28 0.26 -0.18 0.00 -0.41 0.00 0.00 32.23 33.17 1p9k h LYS 58 CO 0.46 1.34 -0.79 1.03 -2.27 0.00 0.00 179.45 179.21 1p9k s ARG 59 N -2.78 1.29 -0.12 1.90 3.00 -1.26 -3.81 118.95 117.17 1p9k s ARG 59 Ca -0.11 -1.40 -0.03 0.00 0.00 0.00 0.00 55.73 54.20 1p9k s ARG 59 Cb 0.04 -1.39 0.04 0.00 0.00 0.00 0.00 34.95 33.64 1p9k s ARG 59 CO 0.90 0.29 0.04 0.00 0.00 0.00 0.00 175.30 176.53 1p9k s LYS 61 N 2.00 2.60 0.02 0.00 1.02 -1.26 -4.28 119.74 119.84 1p9k s LYS 61 Ca 0.03 0.55 0.03 0.00 0.02 0.00 0.00 55.97 56.60 1p9k s LYS 61 Cb -0.14 -4.46 -0.01 0.00 -0.52 0.00 0.00 37.83 32.70 1p9k s LYS 61 CO -0.06 -2.81 -0.09 0.42 -0.92 0.00 0.00 175.35 171.88 1p9k s ILE 62 N 9.29 0.73 0.31 2.17 1.01 -1.25 -4.98 121.20 128.46 1p9k s ILE 62 Ca 0.68 -0.70 -0.06 0.00 0.00 0.00 0.00 60.65 60.57 1p9k s ILE 62 Cb -0.12 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.68 1p9k s ILE 62 CO 0.19 -0.01 0.47 0.68 0.00 0.00 0.00 174.94 176.27 1p9k s VAL 63 N -0.66 0.00 0.00 2.92 -7.23 -1.26 -3.60 120.40 110.58 1p9k s VAL 63 Ca -0.01 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 1p9k s VAL 63 Cb -0.06 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.37 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 -3.05 1.32 0.00 -1.26 -4.34 120.51 112.70 1p9k n ALA 64 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.99 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 0.20 0.00 0.00 0.00 177.50 177.70 1p9k s GLY 65 N -0.76 2.57 0.22 0.00 0.00 -1.22 -2.85 107.32 105.28 1p9k s GLY 65 Ca 0.00 -3.42 0.11 0.00 0.00 0.00 0.00 44.72 41.40 1p9k s GLY 65 CO 0.00 1.86 -0.20 1.20 0.00 0.00 0.00 173.10 175.96 1p9k s GLN 66 N 0.97 1.51 0.12 2.90 -1.52 -0.60 -4.91 119.66 118.13 1p9k s GLN 66 Ca 0.38 -1.61 0.08 0.00 -1.95 0.00 0.00 55.36 52.26 1p9k s GLN 66 Cb -0.05 -1.61 -0.04 0.00 -0.22 0.00 0.00 33.01 31.09 1p9k s GLN 66 CO -0.03 0.32 -0.11 0.99 -0.25 0.00 0.00 175.29 176.21 1p9k s THR 67 N -2.25 3.25 0.04 -0.19 2.01 -1.26 0.18 115.64 117.41 1p9k s THR 67 Ca 0.24 -1.38 0.06 0.00 0.31 0.00 0.00 61.69 60.91 1p9k s THR 67 Cb -0.05 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.90 1p9k s THR 67 CO 0.11 0.06 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.25 1p9k s VAL 68 N -1.30 1.29 -0.03 3.82 1.01 1.00 0.02 120.40 126.21 1p9k s VAL 68 Ca 0.22 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1p9k s VAL 68 Cb -0.11 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.15 1p9k s VAL 68 CO 0.13 0.09 -0.03 -0.44 0.00 0.00 0.00 175.10 174.85 1p9k s SER 69 N -1.11 0.65 -0.13 3.32 0.01 0.48 -1.48 113.70 115.44 1p9k s SER 69 Ca 0.04 -0.08 -0.05 0.00 1.31 0.00 0.00 55.95 57.16 1p9k s SER 69 Cb -0.08 -0.27 0.06 0.00 0.21 0.00 0.00 66.02 65.94 1p9k s SER 69 CO 0.01 -0.04 0.27 0.12 0.41 0.00 0.00 173.24 174.01 1p9k s PHE 70 N 0.70 -0.42 -0.25 2.43 5.36 -0.53 -2.46 117.98 122.81 1p9k s PHE 70 Ca -0.08 0.95 -0.02 0.00 -0.96 0.00 0.00 56.93 56.82 1p9k s PHE 70 Cb -0.11 0.01 0.01 0.00 -0.34 0.00 0.00 43.02 42.59 1p9k s PHE 70 CO -0.01 -0.32 0.04 0.00 -1.46 0.00 0.00 175.22 173.47 1p9k n ALA 71 N 4.98 -0.99 0.00 11.12 0.00 -1.26 0.16 120.51 134.53 1p9k n ALA 71 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1p9k n ALA 71 Cb 0.51 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.18 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 -0.58 0.58 3.43 0.00 0.00 -1.26 -5.05 105.19 102.30 1p9k n GLY 72 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.00 2.85 -0.30 1.61 3.76 0.43 -5.01 115.29 116.63 1p9k s HIS 73 Ca 0.00 -0.81 -0.06 0.00 -0.15 0.00 0.00 55.06 54.04 1p9k s HIS 73 Cb 0.00 -4.20 0.01 0.00 1.11 0.00 0.00 32.58 29.50 1p9k s HIS 73 CO 0.00 -1.51 0.07 -1.12 -0.85 0.00 0.00 174.74 171.33 1p9k s SER 74 N 3.64 5.10 0.06 1.40 0.01 -1.26 -1.45 113.70 121.20 1p9k s SER 74 Ca 0.20 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 56.69 1p9k s SER 74 Cb -0.17 -1.86 -0.03 0.00 0.21 0.00 0.00 66.02 64.16 1p9k s SER 74 CO 0.06 -0.21 -0.05 -0.69 0.41 0.00 0.00 173.24 172.77 1p9k s VAL 75 N 1.47 0.38 0.35 3.43 1.01 -0.55 -4.80 120.40 121.68 1p9k s VAL 75 Ca 0.02 -1.54 0.08 0.00 0.00 0.00 0.00 61.98 60.54 1p9k s VAL 75 Cb -0.17 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1p9k s VAL 75 CO 0.02 -0.76 0.12 -1.10 0.00 0.00 0.00 175.10 173.38 1p9k s GLN 76 N -3.01 2.30 0.02 2.72 -0.21 -0.62 -0.00 119.66 120.86 1p9k s GLN 76 Ca 0.01 -1.62 -0.02 0.00 0.02 0.00 0.00 55.36 53.75 1p9k s GLN 76 Cb 0.01 -2.11 -0.01 0.00 1.00 0.00 0.00 33.01 31.89 1p9k s GLN 76 CO -0.05 0.09 0.02 0.08 -2.12 0.00 0.00 175.29 173.31 1p9k s VAL 77 N -2.46 0.11 0.25 1.09 1.01 0.13 0.07 120.40 120.59 1p9k s VAL 77 Ca 0.38 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1p9k s VAL 77 Cb -0.01 -0.36 -0.05 0.00 0.00 0.00 0.00 36.38 35.95 1p9k s VAL 77 CO 0.22 -0.48 0.00 0.68 0.00 0.00 0.00 175.10 175.52 1p9k s VAL 78 N -1.54 1.08 -2.21 2.92 -7.23 0.70 -1.56 120.40 112.56 1p9k s VAL 78 Ca -0.15 -2.04 0.30 0.00 -1.81 0.00 0.00 61.98 58.29 1p9k s VAL 78 Cb -0.09 -2.41 0.76 0.00 0.56 0.00 0.00 36.38 35.20 1p9k s VAL 78 CO -0.01 -0.28 2.02 0.00 -0.31 0.00 0.00 175.10 176.53