#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 0.50 -0.10 1.61 0.01 -1.26 -5.15 113.70 109.32 1p9k s SER 2 Ca 0.00 0.40 -0.30 0.00 1.31 0.00 0.00 55.95 57.36 1p9k s SER 2 Cb 0.00 0.37 0.09 0.00 0.21 0.00 0.00 66.02 66.70 1p9k s SER 2 CO 0.00 -0.23 0.81 -0.32 0.41 0.00 0.00 173.24 173.92 1p9k s MET 3 N 2.13 0.86 0.08 12.44 -2.45 -1.26 -5.18 119.30 125.92 1p9k s MET 3 Ca 0.01 0.23 0.03 0.00 -1.25 0.00 0.00 55.69 54.70 1p9k s MET 3 Cb -0.12 0.41 -0.03 0.00 1.25 0.00 0.00 34.83 36.34 1p9k s MET 3 CO -0.07 -0.26 -0.09 0.96 1.05 0.00 0.00 175.02 176.61 1p9k s ILE 4 N -1.12 0.74 -0.12 10.11 -0.00 -1.26 -5.05 121.20 124.49 1p9k s ILE 4 Ca -0.07 -1.49 0.22 0.00 -0.00 0.00 0.00 60.65 59.31 1p9k s ILE 4 Cb -0.00 -1.15 0.43 0.00 -0.00 0.00 0.00 42.46 41.74 1p9k s ILE 4 CO 0.06 -0.56 1.16 0.00 -0.00 0.00 0.00 174.94 175.60 1p9k n HIS 5 N 0.77 0.40 -1.96 1.37 1.44 -1.26 -5.07 115.22 110.91 1p9k n HIS 5 Ca -0.18 -1.23 -0.40 0.00 -2.01 0.00 0.00 57.72 53.90 1p9k n HIS 5 Cb 0.57 -0.05 -0.03 0.00 0.12 0.00 0.00 29.99 30.60 1p9k n HIS 5 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1p9k s ARG 6 N -1.54 2.89 0.00 -1.40 3.00 -1.26 -4.97 118.95 115.67 1p9k s ARG 6 Ca 0.28 1.08 0.00 0.00 0.00 0.00 0.00 55.73 57.09 1p9k s ARG 6 Cb 0.34 -4.33 0.00 0.00 0.00 0.00 0.00 34.95 30.97 1p9k s ARG 6 CO -0.10 -2.40 0.00 0.00 0.00 0.00 0.00 175.30 172.80 1p9k n MET 7 N 8.82 0.23 -1.47 3.54 0.00 -1.26 -4.98 117.12 122.00 1p9k n MET 7 Ca 0.23 0.00 0.19 0.00 0.00 0.00 0.00 57.70 58.12 1p9k n MET 7 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.65 1p9k n MET 7 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1p9k n SER 8 N -2.83 -8.85 0.00 3.17 2.88 -1.26 -4.79 113.62 101.94 1p9k n SER 8 Ca 0.00 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 1p9k n SER 8 Cb 0.00 -4.74 0.00 0.00 -0.75 0.00 0.00 64.21 58.72 1p9k n SER 8 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1p9k n ASN 9 N -4.35 0.00 -4.77 -3.46 3.02 -1.26 -4.92 115.26 99.51 1p9k n ASN 9 Ca -0.04 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.16 1p9k n ASN 9 Cb 0.69 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.78 1p9k n ASN 9 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1p9k s MET 10 N 0.00 3.19 -0.17 3.52 -1.94 -1.26 -5.08 119.30 117.56 1p9k s MET 10 Ca 0.00 -0.28 -0.25 0.00 -1.71 0.00 0.00 55.69 53.45 1p9k s MET 10 Cb 0.00 -2.97 -0.02 0.00 2.01 0.00 0.00 34.83 33.85 1p9k s MET 10 CO 0.00 0.74 0.81 0.00 -0.01 0.00 0.00 175.02 176.56 1p9k s ALA 11 N -0.96 3.52 -0.04 3.03 0.00 -1.26 -5.04 121.76 121.01 1p9k s ALA 11 Ca 0.14 0.01 0.01 0.00 0.00 0.00 0.00 51.96 52.12 1p9k s ALA 11 Cb -0.12 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 19.82 1p9k s ALA 11 CO 0.03 -0.64 -0.04 0.95 0.00 0.00 0.00 175.76 176.07 1p9k s THR 12 N 2.12 0.46 -0.01 0.00 -4.23 -1.26 -1.90 115.64 110.82 1p9k s THR 12 Ca 0.37 -0.09 0.01 0.00 -1.18 0.00 0.00 61.69 60.80 1p9k s THR 12 Cb -0.16 -0.49 -0.04 0.00 1.34 0.00 0.00 72.50 73.15 1p9k s THR 12 CO 0.12 0.20 0.02 0.12 -0.54 0.00 0.00 174.62 174.54 1p9k s PHE 13 N 0.87 3.12 0.08 3.99 5.36 0.26 -4.95 117.98 126.71 1p9k s PHE 13 Ca -0.11 0.11 0.04 0.00 -0.96 0.00 0.00 56.93 56.01 1p9k s PHE 13 Cb -0.14 -1.69 -0.04 0.00 -0.34 0.00 0.00 43.02 40.81 1p9k s PHE 13 CO -0.00 0.48 0.05 -1.12 -1.46 0.00 0.00 175.22 173.17 1p9k s SER 14 N -1.57 5.32 -0.02 6.13 0.01 -1.26 -0.87 113.70 121.44 1p9k s SER 14 Ca 0.20 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.39 1p9k s SER 14 Cb -0.12 -1.37 -0.01 0.00 0.21 0.00 0.00 66.02 64.73 1p9k s SER 14 CO 0.11 0.18 -0.02 0.18 0.41 0.00 0.00 173.24 174.09 1p9k n LEU 15 N 0.53 2.98 0.00 2.44 4.77 -0.71 -4.91 117.00 122.10 1p9k n LEU 15 Ca -0.10 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1p9k n LEU 15 Cb 0.52 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1p9k n LEU 15 CO 0.42 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 1p9k n GLY 16 N 3.39 1.38 2.76 -0.72 0.00 -1.26 -4.07 105.19 106.67 1p9k n GLY 16 Ca -0.04 -0.53 -0.03 0.00 0.00 0.00 0.00 46.02 45.41 1p9k n GLY 16 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1p9k n LYS 17 N 0.00 1.48 -3.98 1.61 2.85 -1.26 -4.81 118.16 114.05 1p9k n LYS 17 Ca 0.00 -3.11 -0.27 0.00 -1.05 0.00 0.00 58.31 53.89 1p9k n LYS 17 Cb 0.00 -1.21 -0.04 0.00 -0.65 0.00 0.00 35.03 33.14 1p9k n LYS 17 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 1p9k s HIS 18 N -2.98 3.39 0.48 5.58 2.46 -1.26 -4.99 115.29 117.97 1p9k s HIS 18 Ca 0.25 0.09 0.26 0.00 0.47 0.00 0.00 55.06 56.13 1p9k s HIS 18 Cb 0.38 -1.63 1.31 0.00 -0.13 0.00 0.00 32.58 32.51 1p9k s HIS 18 CO -0.03 0.52 1.86 -1.00 -2.47 0.00 0.00 174.74 173.62 1p9k h PRO 19 N 2.31 0.17 0.00 2.88 0.13 -1.97 -3.47 132.00 132.06 1p9k h PRO 19 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1p9k h PRO 19 Cb 1.19 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1p9k h PRO 19 CO 0.68 0.12 0.00 -2.39 -0.23 0.00 0.00 178.00 176.17 1p9k n HIS 20 N -4.39 0.00 -4.29 1.56 1.44 -1.26 -4.72 115.22 103.56 1p9k n HIS 20 Ca 0.20 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.73 1p9k n HIS 20 Cb 0.88 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.85 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 -2.99 0.69 0.37 0.61 -7.23 -1.24 -5.00 120.40 105.62 1p9k s VAL 21 Ca 0.00 -0.52 -0.21 0.00 -1.81 0.00 0.00 61.98 59.44 1p9k s VAL 21 Cb 0.00 -0.61 -0.10 0.00 0.56 0.00 0.00 36.38 36.23 1p9k s VAL 21 CO 0.00 0.09 0.90 -1.61 -0.31 0.00 0.00 175.10 174.17 1p9k s GLU 22 N -0.48 4.29 0.21 4.82 8.01 -1.26 -3.63 118.70 130.67 1p9k s GLU 22 Ca 0.01 1.09 -0.18 0.00 0.01 0.00 0.00 54.97 55.91 1p9k s GLU 22 Cb -0.05 -2.44 0.19 0.00 -4.31 0.00 0.00 34.13 27.53 1p9k s GLU 22 CO -0.00 0.11 1.45 1.28 0.01 0.00 0.00 175.26 178.11 1p9k n LEU 23 N -0.17 -0.65 0.26 1.80 4.32 -1.22 0.20 117.00 121.54 1p9k n LEU 23 Ca 0.04 1.64 0.09 0.00 -0.02 0.00 0.00 56.01 57.76 1p9k n LEU 23 Cb 0.53 -0.36 0.67 0.00 -1.62 0.00 0.00 43.42 42.64 1p9k n LEU 23 CO 0.40 -1.45 1.05 0.00 -1.22 0.00 0.00 177.39 176.17 1p9k h ASP 25 N 0.00 -0.32 -0.47 0.00 5.19 0.19 -1.85 116.42 119.16 1p9k h ASP 25 Ca -0.00 0.01 0.09 0.00 -0.62 0.00 0.00 57.03 56.51 1p9k h ASP 25 Cb 0.06 0.08 -0.08 0.00 0.18 0.00 0.00 39.33 39.57 1p9k h ASP 25 CO 0.00 0.01 -0.02 0.25 -3.12 0.00 0.00 179.24 176.37 1p9k h LEU 26 N -0.86 -0.23 0.77 1.55 6.46 -1.01 0.19 115.31 122.17 1p9k h LEU 26 Ca -0.04 0.12 -0.04 0.00 -0.12 0.00 0.00 57.88 57.80 1p9k h LEU 26 Cb 0.29 0.21 0.01 0.00 -0.73 0.00 0.00 40.66 40.44 1p9k h LEU 26 CO 0.06 -0.08 -0.37 -0.07 -0.62 0.00 0.00 178.44 177.36 1p9k h LEU 27 N 0.09 -0.88 0.14 2.25 3.38 -1.46 -0.96 115.31 117.88 1p9k h LEU 27 Ca 0.24 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.25 1p9k h LEU 27 Cb 0.35 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1p9k h LEU 27 CO -0.41 -0.61 -0.26 0.50 0.09 0.00 0.00 178.44 177.75 1p9k h LYS 28 N -1.06 -0.46 -0.09 1.13 3.64 -1.05 0.43 116.57 119.11 1p9k h LYS 28 Ca -0.11 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1p9k h LYS 28 Cb 0.80 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.69 1p9k h LYS 28 CO 0.17 -0.31 -0.10 -0.07 -2.27 0.00 0.00 179.45 176.87 1p9k h LEU 29 N -0.48 -0.32 -1.33 5.20 -0.00 -0.66 -1.37 115.31 116.35 1p9k h LEU 29 Ca 0.02 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 1p9k h LEU 29 Cb 0.49 0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.31 1p9k h LEU 29 CO -0.13 -0.14 0.00 -0.33 -0.00 0.00 0.00 178.44 177.83 1p9k h GLU 30 N -0.14 0.00 0.00 1.13 4.39 -1.06 -3.45 114.58 115.45 1p9k h GLU 30 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1p9k h GLU 30 Cb 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1p9k h GLU 30 CO -0.17 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.09 1p9k n GLY 31 N -0.80 1.23 0.17 -3.84 0.00 -0.52 -5.02 105.19 96.41 1p9k n GLY 31 Ca -0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.32 -3.31 1.61 4.06 -0.35 -3.45 115.95 114.18 1p9k h TRP 32 Ca 0.00 -0.01 -0.68 0.00 2.06 0.00 0.00 58.89 60.26 1p9k h TRP 32 Cb 0.15 0.11 -0.15 0.00 -1.00 0.00 0.00 29.16 28.27 1p9k h TRP 32 CO 0.00 -0.20 -0.62 0.45 -3.56 0.00 0.00 178.44 174.51 1p9k s SER 33 N -4.79 5.26 0.20 -3.49 0.15 -1.24 -5.01 113.70 104.78 1p9k s SER 33 Ca -0.05 0.14 0.01 0.00 0.70 0.00 0.00 55.95 56.75 1p9k s SER 33 Cb 0.01 -1.48 0.15 0.00 -1.71 0.00 0.00 66.02 62.98 1p9k s SER 33 CO 0.15 0.37 1.50 -0.33 1.20 0.00 0.00 173.24 176.13 1p9k h GLU 34 N 5.06 0.34 0.00 5.44 5.08 -1.92 -3.37 114.58 125.21 1p9k h GLU 34 Ca -0.51 -0.26 -0.32 0.00 -1.00 0.00 0.00 59.36 57.28 1p9k h GLU 34 Cb 1.19 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.44 1p9k h GLU 34 CO 0.55 0.88 -2.09 -1.13 -1.00 0.00 0.00 179.01 176.21 1p9k n SER 35 N -3.86 1.74 0.00 1.42 3.41 -1.26 -5.05 113.62 110.02 1p9k n SER 35 Ca -0.03 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1p9k n SER 35 Cb 0.66 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 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 2.01 1.16 0.00 5.00 0.00 -1.26 -4.88 105.19 107.22 1p9k n GLY 36 Ca -0.37 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 1.05 -0.50 4.61 0.00 -1.26 -3.11 120.51 121.30 1p9k n ALA 37 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.98 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 -0.08 0.00 0.00 0.00 -0.06 -1.26 -2.17 117.38 113.80 1p9k n GLN 38 Ca 0.00 0.44 0.00 0.00 -2.00 0.00 0.00 57.00 55.44 1p9k n GLN 38 Cb 0.35 -1.25 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 -1.54 2.50 -2.26 1.69 0.00 -1.26 -4.81 120.51 114.83 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 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.23 -1.28 0.28 0.00 4.76 -0.92 -4.87 118.16 115.90 1p9k n LYS 40 Ca 0.00 0.80 0.14 0.00 -2.87 0.00 0.00 58.31 56.39 1p9k n LYS 40 Cb 0.13 -5.19 0.82 0.00 -1.84 0.00 0.00 35.03 28.95 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 0.48 0.00 -0.18 5.03 -1.81 -1.96 117.51 119.07 1p9k h ILE 41 Ca -0.38 -0.35 0.00 0.00 -0.12 0.00 0.00 64.86 64.01 1p9k h ILE 41 Cb 1.27 1.23 0.00 0.00 -3.03 0.00 0.00 36.82 36.29 1p9k h ILE 41 CO 0.46 0.07 0.00 0.00 -0.68 0.00 0.00 178.15 178.00 1p9k n ALA 42 N -2.27 -0.03 -0.30 1.87 0.00 -1.18 -0.98 120.51 117.62 1p9k n ALA 42 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.51 1p9k n ALA 42 Cb 0.19 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.89 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 0.63 0.09 0.00 1.08 -1.88 -2.77 117.51 114.66 1p9k h ILE 43 Ca 0.00 -0.18 -0.00 0.00 -0.39 0.00 0.00 64.86 64.28 1p9k h ILE 43 Cb 0.00 0.05 -0.00 0.00 -3.07 0.00 0.00 36.82 33.80 1p9k h ILE 43 CO 0.00 0.10 -0.06 0.00 -0.69 0.00 0.00 178.15 177.50 1p9k h ALA 44 N 1.62 -0.95 -0.69 1.87 0.00 -1.46 -2.66 119.26 116.98 1p9k h ALA 44 Ca 0.50 -0.03 0.26 0.00 0.00 0.00 0.00 54.91 55.64 1p9k h ALA 44 Cb 0.81 0.16 -0.13 0.00 0.00 0.00 0.00 17.79 18.63 1p9k h ALA 44 CO -0.43 -0.94 0.26 -1.91 0.00 0.00 0.00 179.25 176.23 1p9k n GLU 45 N -2.50 -0.05 0.00 0.00 0.00 -0.15 -0.68 120.64 117.26 1p9k n GLU 45 Ca -0.02 0.98 0.00 0.00 0.00 0.00 0.00 57.16 58.13 1p9k n GLU 45 Cb 0.06 -1.70 0.00 0.00 0.00 0.00 0.00 31.44 29.80 1p9k n GLU 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1p9k n GLY 46 N -1.24 -2.56 0.00 8.31 0.00 -1.07 -2.50 105.19 106.14 1p9k n GLY 46 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.60 0.00 0.00 1.61 10.64 0.15 -3.34 117.38 124.83 1p9k n GLN 47 Ca 0.00 0.21 0.00 0.00 -1.83 0.00 0.00 57.00 55.38 1p9k n GLN 47 Cb 0.00 -1.72 0.00 0.00 -0.86 0.00 0.00 30.24 27.66 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 -1.17 0.00 -3.64 -0.39 0.31 -0.55 -4.88 118.33 108.00 1p9k n VAL 48 Ca 0.00 0.13 -0.04 0.00 -0.01 0.00 0.00 64.34 64.42 1p9k n VAL 48 Cb 0.22 -0.38 -0.07 0.00 -0.91 0.00 0.00 33.84 32.70 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 0.34 0.05 5.55 -0.14 -1.04 -4.93 119.74 119.57 1p9k s LYS 49 Ca 0.00 0.50 0.05 0.00 -1.36 0.00 0.00 55.97 55.16 1p9k s LYS 49 Cb 0.00 0.11 -0.02 0.00 -1.68 0.00 0.00 37.83 36.23 1p9k s LYS 49 CO 0.00 -0.06 -0.14 0.08 -0.76 0.00 0.00 175.35 174.47 1p9k s VAL 50 N 0.84 1.10 -1.11 3.17 1.01 0.10 -0.71 120.40 124.80 1p9k s VAL 50 Ca -0.04 -1.12 -0.25 0.00 0.00 0.00 0.00 61.98 60.57 1p9k s VAL 50 Cb -0.04 -1.02 -0.19 0.00 0.00 0.00 0.00 36.38 35.13 1p9k s VAL 50 CO -0.12 -0.09 2.05 -0.67 0.00 0.00 0.00 175.10 176.27 1p9k n ASP 51 N 1.65 1.95 0.00 3.32 2.03 0.13 -0.92 116.55 124.71 1p9k n ASP 51 Ca -0.19 -2.57 0.00 0.00 0.52 0.00 0.00 54.79 52.55 1p9k n ASP 51 Cb 0.54 -1.72 0.00 0.00 -0.72 0.00 0.00 41.12 39.22 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 5.99 1.47 2.91 0.27 0.00 -1.26 -4.57 105.19 110.00 1p9k n GLY 52 Ca 0.43 0.00 -0.17 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 -1.45 0.47 -0.17 4.61 0.00 -0.10 -5.02 121.76 120.10 1p9k s ALA 53 Ca 0.00 -0.10 0.15 0.00 0.00 0.00 0.00 51.96 52.01 1p9k s ALA 53 Cb 0.00 -0.23 0.43 0.00 0.00 0.00 0.00 23.12 23.32 1p9k s ALA 53 CO 0.00 0.05 1.20 1.55 0.00 0.00 0.00 175.76 178.56 1p9k n VAL 54 N 3.45 1.67 -1.28 0.00 3.14 -1.26 0.02 118.33 124.07 1p9k n VAL 54 Ca -0.19 -2.77 0.00 0.00 -2.96 0.00 0.00 64.34 58.42 1p9k n VAL 54 Cb 0.55 0.04 0.00 0.00 -1.06 0.00 0.00 33.84 33.36 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 -0.67 3.96 -2.70 1.45 1.02 -1.26 -4.90 120.64 117.54 1p9k n GLU 55 Ca 0.18 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.26 1p9k n GLU 55 Cb 0.83 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 32.33 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 -2.74 2.62 5.66 -1.26 -1.29 114.28 117.26 1p9k n THR 56 Ca 0.00 -1.01 -0.21 0.00 -3.05 0.00 0.00 64.05 59.78 1p9k n THR 56 Cb 0.00 1.25 0.06 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 0.30 2.25 -0.02 1.09 0.52 -1.26 -4.77 118.95 117.05 1p9k s ARG 57 Ca 0.27 -1.11 -0.23 0.00 -0.52 0.00 0.00 55.73 54.14 1p9k s ARG 57 Cb 0.24 -2.50 -0.22 0.00 0.52 0.00 0.00 34.95 32.98 1p9k s ARG 57 CO -0.15 -0.93 1.09 0.87 0.02 0.00 0.00 175.30 176.20 1p9k h LYS 58 N -0.03 0.26 -5.36 3.54 1.57 -1.98 -3.44 116.57 111.13 1p9k h LYS 58 Ca -0.38 -0.26 -0.62 0.00 -1.87 0.00 0.00 60.65 57.52 1p9k h LYS 58 Cb 1.28 0.07 -0.13 0.00 0.08 0.00 0.00 32.23 33.53 1p9k h LYS 58 CO 0.45 0.95 -0.52 -0.98 -0.57 0.00 0.00 179.45 178.78 1p9k s ARG 59 N -3.28 3.94 -0.34 3.15 3.03 -1.26 -3.43 118.95 120.76 1p9k s ARG 59 Ca -0.15 -0.27 -0.13 0.00 2.03 0.00 0.00 55.73 57.22 1p9k s ARG 59 Cb 0.02 -3.27 -0.02 0.00 -1.03 0.00 0.00 34.95 30.65 1p9k s ARG 59 CO 0.77 0.38 0.24 0.00 -1.13 0.00 0.00 175.30 175.55 1p9k n LYS 61 N 5.10 3.76 -4.28 0.00 4.01 -1.26 -3.65 118.16 121.84 1p9k n LYS 61 Ca -0.13 -4.08 -0.17 0.00 -0.51 0.00 0.00 58.31 53.42 1p9k n LYS 61 Cb 0.50 -2.76 -0.14 0.00 -0.51 0.00 0.00 35.03 32.11 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 -0.51 0.68 0.32 -0.18 1.01 -1.26 -5.04 121.20 116.22 1p9k s ILE 62 Ca 0.36 -0.53 -0.07 0.00 0.00 0.00 0.00 60.65 60.41 1p9k s ILE 62 Cb 0.01 -0.60 0.01 0.00 0.01 0.00 0.00 42.46 41.88 1p9k s ILE 62 CO 0.01 0.08 0.52 0.68 0.00 0.00 0.00 174.94 176.23 1p9k s VAL 63 N -0.43 0.00 0.00 2.92 -7.23 -1.26 -3.76 120.40 110.64 1p9k s VAL 63 Ca 0.01 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 1p9k s VAL 63 Cb -0.05 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.34 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 -0.50 0.00 -3.05 1.32 0.00 -1.26 -4.47 120.51 112.54 1p9k n ALA 64 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.99 1p9k n ALA 64 Cb 0.61 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 3.83 3.45 0.00 0.00 -1.25 -3.27 105.19 107.96 1p9k n GLY 65 Ca 0.00 -2.25 -0.23 0.00 0.00 0.00 0.00 46.02 43.55 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 0.31 1.61 0.21 1.61 -0.21 -0.43 -4.93 119.66 117.84 1p9k s GLN 66 Ca 0.38 -1.78 0.09 0.00 0.02 0.00 0.00 55.36 54.08 1p9k s GLN 66 Cb -0.04 -1.48 -0.04 0.00 1.00 0.00 0.00 33.01 32.44 1p9k s GLN 66 CO -0.02 0.19 -0.06 0.99 -2.12 0.00 0.00 175.29 174.27 1p9k s THR 67 N -2.74 3.30 0.04 -0.19 2.01 -1.26 0.14 115.64 116.94 1p9k s THR 67 Ca 0.29 -1.76 0.04 0.00 0.31 0.00 0.00 61.69 60.57 1p9k s THR 67 Cb -0.00 -2.68 -0.02 0.00 0.01 0.00 0.00 72.50 69.80 1p9k s THR 67 CO 0.13 -0.21 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.04 1p9k s VAL 68 N -1.95 0.94 -0.05 3.82 1.01 0.20 0.17 120.40 124.53 1p9k s VAL 68 Ca 0.28 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 1p9k s VAL 68 Cb -0.08 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.45 1p9k s VAL 68 CO 0.17 -0.06 0.13 -0.94 0.00 0.00 0.00 175.10 174.40 1p9k s SER 69 N -1.13 -0.14 0.00 3.32 1.04 0.11 -1.64 113.70 115.27 1p9k s SER 69 Ca -0.01 0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1p9k s SER 69 Cb -0.08 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1p9k s SER 69 CO 0.01 -0.05 0.00 0.33 0.98 0.00 0.00 173.24 174.50 1p9k n PHE 70 N 3.11 0.00 -3.46 5.02 7.35 -1.03 -2.48 117.46 125.97 1p9k n PHE 70 Ca -0.14 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.27 1p9k n PHE 70 Cb 0.58 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 40.30 1p9k n PHE 70 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1p9k s ALA 71 N -2.00 1.02 0.00 3.13 0.00 -1.26 -4.84 121.76 117.81 1p9k s ALA 71 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 51.96 50.00 1p9k s ALA 71 Cb 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.51 1p9k s ALA 71 CO 0.00 -2.09 0.00 0.41 0.00 0.00 0.00 175.76 174.08 1p9k n GLY 72 N 3.86 2.88 3.50 0.00 0.00 -1.26 -4.96 105.19 109.20 1p9k n GLY 72 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.24 3.07 -0.37 1.61 3.76 -1.26 -5.01 115.29 115.86 1p9k s HIS 73 Ca 0.00 -0.21 0.04 0.00 -0.15 0.00 0.00 55.06 54.74 1p9k s HIS 73 Cb 0.00 -3.32 0.10 0.00 1.11 0.00 0.00 32.58 30.48 1p9k s HIS 73 CO 0.00 -0.88 0.08 -1.12 -0.85 0.00 0.00 174.74 171.97 1p9k s SER 74 N 2.12 4.69 0.15 1.40 0.01 -1.26 -2.46 113.70 118.34 1p9k s SER 74 Ca 0.19 -2.28 0.11 0.00 1.31 0.00 0.00 55.95 55.28 1p9k s SER 74 Cb -0.16 -1.62 -0.04 0.00 0.21 0.00 0.00 66.02 64.42 1p9k s SER 74 CO 0.17 -0.36 -0.26 -0.69 0.41 0.00 0.00 173.24 172.51 1p9k s VAL 75 N 0.73 2.25 0.33 3.43 1.01 -0.65 -4.58 120.40 122.92 1p9k s VAL 75 Ca 0.12 -1.82 0.08 0.00 0.00 0.00 0.00 61.98 60.36 1p9k s VAL 75 Cb -0.20 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1p9k s VAL 75 CO -0.07 0.02 0.10 -1.10 0.00 0.00 0.00 175.10 174.06 1p9k s GLN 76 N -2.22 2.32 0.04 2.72 -0.21 -0.80 0.60 119.66 122.11 1p9k s GLN 76 Ca 0.15 -1.56 0.04 0.00 0.02 0.00 0.00 55.36 54.01 1p9k s GLN 76 Cb -0.09 -2.14 -0.02 0.00 1.00 0.00 0.00 33.01 31.76 1p9k s GLN 76 CO 0.07 0.15 -0.11 0.08 -2.12 0.00 0.00 175.29 173.35 1p9k s VAL 77 N -2.43 0.87 0.19 1.09 1.01 0.38 0.93 120.40 122.44 1p9k s VAL 77 Ca 0.36 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 1p9k s VAL 77 Cb -0.03 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1p9k s VAL 77 CO 0.22 -0.11 0.12 0.68 0.00 0.00 0.00 175.10 176.01 1p9k s VAL 78 N -0.93 0.02 0.00 2.92 -7.23 -0.05 -1.31 120.40 113.82 1p9k s VAL 78 Ca -0.02 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 1p9k s VAL 78 Cb -0.08 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.41 1p9k s VAL 78 CO 0.01 -0.05 0.00 0.00 -0.31 0.00 0.00 175.10 174.75