#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p9k n SER 2 N 0.00 -4.58 -4.76 1.61 7.64 -1.26 -4.81 113.62 107.47 1p9k n SER 2 Ca 0.00 0.16 -0.34 0.00 1.01 0.00 0.00 58.87 59.70 1p9k n SER 2 Cb 0.00 -0.46 0.05 0.00 -1.01 0.00 0.00 64.21 62.79 1p9k n SER 2 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1p9k s MET 3 N -0.27 2.79 0.17 1.43 -2.45 -1.26 -4.69 119.30 115.03 1p9k s MET 3 Ca 0.00 1.62 0.00 0.00 -1.25 0.00 0.00 55.69 56.06 1p9k s MET 3 Cb 0.00 -1.93 0.00 0.00 1.25 0.00 0.00 34.83 34.15 1p9k s MET 3 CO 0.00 -1.30 0.00 -0.89 1.05 0.00 0.00 175.02 173.88 1p9k n ILE 4 N -2.08-13.89 0.09 10.11 5.41 -1.26 -5.04 119.36 112.69 1p9k n ILE 4 Ca 0.12 3.47 0.00 0.00 1.00 0.00 0.00 62.75 67.34 1p9k n ILE 4 Cb 0.51 -5.76 0.00 0.00 -0.71 0.00 0.00 39.64 33.67 1p9k n ILE 4 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1p9k n HIS 5 N 1.93 -3.24 -1.40 1.39 -0.00 -1.26 -5.01 115.22 107.63 1p9k n HIS 5 Ca 0.00 0.59 0.17 0.00 0.46 0.00 0.00 57.72 58.94 1p9k n HIS 5 Cb 0.00 1.77 -0.07 0.00 -0.12 0.00 0.00 29.99 31.57 1p9k n HIS 5 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1p9k n ARG 6 N -3.12 -3.01 -0.31 1.57 1.74 -1.26 -4.95 116.66 107.32 1p9k n ARG 6 Ca 0.00 2.30 0.04 0.00 -0.77 0.00 0.00 57.85 59.43 1p9k n ARG 6 Cb 0.00 -3.61 -0.01 0.00 -1.02 0.00 0.00 32.46 27.82 1p9k n ARG 6 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1p9k n MET 7 N -4.20 -0.62 -0.93 5.56 2.81 -1.26 -5.01 117.12 113.47 1p9k n MET 7 Ca -0.05 0.41 0.11 0.00 -1.81 0.00 0.00 57.70 56.36 1p9k n MET 7 Cb 0.67 -0.76 -0.06 0.00 -0.71 0.00 0.00 33.22 32.36 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 -3.37 -5.11 0.14 7.83 7.64 -1.26 -5.06 113.62 114.43 1p9k n SER 8 Ca 0.00 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.78 1p9k n SER 8 Cb 0.14 -3.16 0.00 0.00 -1.01 0.00 0.00 64.21 60.18 1p9k n SER 8 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1p9k n ASN 9 N -3.53 -2.49 -3.71 6.43 2.85 -1.26 -5.15 115.26 108.40 1p9k n ASN 9 Ca -0.06 0.64 -0.13 0.00 -0.11 0.00 0.00 54.58 54.91 1p9k n ASN 9 Cb 0.44 2.48 0.06 0.00 1.24 0.00 0.00 39.78 44.00 1p9k n ASN 9 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 1p9k n MET 10 N -3.09 0.42 -3.06 1.20 2.81 -1.26 -5.02 117.12 109.12 1p9k n MET 10 Ca 0.00 -1.82 -0.44 0.00 -1.81 0.00 0.00 57.70 53.62 1p9k n MET 10 Cb 0.00 -0.30 -0.01 0.00 -0.71 0.00 0.00 33.22 32.20 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 -2.77 4.02 -0.14 3.04 0.00 -1.26 -4.93 121.76 119.71 1p9k s ALA 11 Ca 0.40 -3.32 -0.04 0.00 0.00 0.00 0.00 51.96 49.00 1p9k s ALA 11 Cb -0.03 -3.94 0.05 0.00 0.00 0.00 0.00 23.12 19.21 1p9k s ALA 11 CO 0.26 -2.66 0.08 0.95 0.00 0.00 0.00 175.76 174.39 1p9k s THR 12 N 1.11 -0.04 -0.02 0.00 -4.23 -1.25 -1.85 115.64 109.36 1p9k s THR 12 Ca 0.36 -0.06 -0.06 0.00 -1.18 0.00 0.00 61.69 60.75 1p9k s THR 12 Cb -0.05 -0.52 -0.04 0.00 1.34 0.00 0.00 72.50 73.22 1p9k s THR 12 CO -0.05 -0.17 0.22 0.12 -0.54 0.00 0.00 174.62 174.20 1p9k s PHE 13 N 2.12 3.58 -0.12 3.99 5.36 0.11 -4.96 117.98 128.05 1p9k s PHE 13 Ca 0.02 0.51 -0.03 0.00 -0.96 0.00 0.00 56.93 56.47 1p9k s PHE 13 Cb -0.15 -1.94 -0.03 0.00 -0.34 0.00 0.00 43.02 40.56 1p9k s PHE 13 CO -0.08 0.65 -0.00 -1.12 -1.46 0.00 0.00 175.22 173.21 1p9k s SER 14 N -1.64 5.17 0.02 6.13 0.01 -1.26 -0.50 113.70 121.63 1p9k s SER 14 Ca 0.25 0.06 0.03 0.00 1.31 0.00 0.00 55.95 57.60 1p9k s SER 14 Cb -0.13 -1.63 -0.25 0.00 0.21 0.00 0.00 66.02 64.22 1p9k s SER 14 CO 0.15 0.29 0.89 0.25 0.41 0.00 0.00 173.24 175.23 1p9k h LEU 15 N 5.81 0.21 -0.28 2.44 6.46 -1.77 -3.48 115.31 124.69 1p9k h LEU 15 Ca -0.43 -0.30 0.00 0.00 -0.12 0.00 0.00 57.88 57.03 1p9k h LEU 15 Cb 1.19 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.05 1p9k h LEU 15 CO 0.59 1.25 0.00 0.61 -0.62 0.00 0.00 178.44 180.27 1p9k n GLY 16 N 1.58 0.64 3.37 3.75 0.00 -1.26 -4.06 105.19 109.21 1p9k n GLY 16 Ca -0.13 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 44.95 1p9k n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1p9k n LYS 17 N -0.83 -3.72 -4.29 1.61 5.02 -1.26 -5.03 118.16 109.66 1p9k n LYS 17 Ca 0.00 0.81 -0.25 0.00 -2.02 0.00 0.00 58.31 56.86 1p9k n LYS 17 Cb 0.46 -5.66 -0.08 0.00 -0.02 0.00 0.00 35.03 29.73 1p9k n LYS 17 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1p9k s HIS 18 N -3.41 2.58 0.32 2.13 3.76 -1.26 -5.04 115.29 114.37 1p9k s HIS 18 Ca 0.28 -0.47 0.00 0.00 -0.15 0.00 0.00 55.06 54.72 1p9k s HIS 18 Cb -0.05 -1.61 0.53 0.00 1.11 0.00 0.00 32.58 32.56 1p9k s HIS 18 CO 0.75 0.41 1.95 -1.00 -0.85 0.00 0.00 174.74 176.00 1p9k h PRO 19 N 1.70 0.90 0.00 8.40 0.13 -1.95 -3.48 132.00 137.70 1p9k h PRO 19 Ca -0.43 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1p9k h PRO 19 Cb 1.25 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1p9k h PRO 19 CO 0.68 0.65 0.00 -2.39 -0.23 0.00 0.00 178.00 176.70 1p9k n HIS 20 N -4.39 0.00 -4.06 1.56 1.44 -1.26 -4.73 115.22 103.77 1p9k n HIS 20 Ca 0.06 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.70 1p9k n HIS 20 Cb 0.08 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.10 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 -2.54 0.20 0.02 0.61 -7.23 -1.23 -4.96 120.40 105.27 1p9k s VAL 21 Ca 0.00 -1.73 -0.12 0.00 -1.81 0.00 0.00 61.98 58.31 1p9k s VAL 21 Cb 0.00 -1.54 -0.06 0.00 0.56 0.00 0.00 36.38 35.35 1p9k s VAL 21 CO 0.00 -0.91 0.38 -1.61 -0.31 0.00 0.00 175.10 172.65 1p9k s GLU 22 N -3.92 3.82 0.35 4.82 2.02 -1.26 -4.03 118.70 120.49 1p9k s GLU 22 Ca 0.08 0.28 0.21 0.00 0.02 0.00 0.00 54.97 55.56 1p9k s GLU 22 Cb 0.08 -3.14 1.25 0.00 0.10 0.00 0.00 34.13 32.41 1p9k s GLU 22 CO -0.09 0.66 1.43 1.28 0.02 0.00 0.00 175.26 178.55 1p9k n LEU 23 N 1.52 0.29 0.01 1.80 4.77 -1.26 0.16 117.00 124.30 1p9k n LEU 23 Ca -0.12 1.46 -0.14 0.00 -0.03 0.00 0.00 56.01 57.18 1p9k n LEU 23 Cb 0.53 -0.71 -0.02 0.00 -2.33 0.00 0.00 43.42 40.88 1p9k n LEU 23 CO 0.38 -1.62 0.31 0.00 -1.33 0.00 0.00 177.39 175.13 1p9k h ASP 25 N 0.42 -0.48 -0.67 0.00 3.32 0.12 0.19 116.42 119.31 1p9k h ASP 25 Ca -0.04 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 56.99 1p9k h ASP 25 Cb 1.35 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 41.00 1p9k h ASP 25 CO 0.14 -0.28 0.44 0.25 -1.72 0.00 0.00 179.24 178.07 1p9k h LEU 26 N -0.65 0.78 0.41 1.55 5.85 -1.45 -0.49 115.31 121.31 1p9k h LEU 26 Ca -0.06 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 1p9k h LEU 26 Cb 0.48 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1p9k h LEU 26 CO 0.10 0.56 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.49 1p9k h LEU 27 N 0.91 -0.46 0.36 2.25 4.07 -1.38 -2.19 115.31 118.86 1p9k h LEU 27 Ca 0.25 -0.11 -0.00 0.00 0.08 0.00 0.00 57.88 58.09 1p9k h LEU 27 Cb -0.10 0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.74 1p9k h LEU 27 CO -0.05 -0.06 -0.31 0.50 -1.08 0.00 0.00 178.44 177.44 1p9k h LYS 28 N -0.97 -0.66 -0.93 1.13 3.64 -0.63 0.66 116.57 118.82 1p9k h LYS 28 Ca -0.06 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.52 1p9k h LYS 28 Cb 0.55 0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 32.44 1p9k h LYS 28 CO 0.09 -0.44 0.59 -0.07 -2.27 0.00 0.00 179.45 177.36 1p9k h LEU 29 N -0.68 0.68 -0.02 5.20 3.38 -1.20 0.22 115.31 122.89 1p9k h LEU 29 Ca -0.03 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1p9k h LEU 29 Cb 0.60 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1p9k h LEU 29 CO -0.03 0.32 0.00 -0.62 0.09 0.00 0.00 178.44 178.20 1p9k n GLU 30 N -4.59 0.07 -0.38 1.13 -0.58 -0.82 -4.90 120.64 110.56 1p9k n GLU 30 Ca 0.19 0.08 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 1p9k n GLU 30 Cb 0.50 -1.59 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 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 1.31 1.02 0.13 0.62 0.00 0.77 -4.90 105.19 104.15 1p9k n GLY 31 Ca 0.06 -0.31 -0.04 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.26 -3.31 1.61 4.06 0.12 -3.44 115.95 114.73 1p9k h TRP 32 Ca 0.00 -0.01 -0.66 0.00 2.06 0.00 0.00 58.89 60.29 1p9k h TRP 32 Cb 0.09 0.09 -0.17 0.00 -1.00 0.00 0.00 29.16 28.16 1p9k h TRP 32 CO 0.00 -0.16 -0.62 0.45 -3.56 0.00 0.00 178.44 174.54 1p9k s SER 33 N -4.32 5.18 0.17 -3.49 0.15 -1.25 -4.98 113.70 105.16 1p9k s SER 33 Ca -0.04 0.05 -0.01 0.00 0.70 0.00 0.00 55.95 56.65 1p9k s SER 33 Cb 0.00 -1.65 0.02 0.00 -1.71 0.00 0.00 66.02 62.68 1p9k s SER 33 CO 0.12 0.28 1.40 -0.33 1.20 0.00 0.00 173.24 175.91 1p9k h GLU 34 N 5.89 0.36 0.00 5.44 5.08 -1.93 -3.38 114.58 126.04 1p9k h GLU 34 Ca -0.42 -0.33 -0.29 0.00 -1.00 0.00 0.00 59.36 57.32 1p9k h GLU 34 Cb 1.19 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.47 1p9k h GLU 34 CO 0.60 0.99 -2.03 -1.13 -1.00 0.00 0.00 179.01 176.43 1p9k n SER 35 N -3.79 2.01 0.00 1.42 3.41 -1.26 -5.03 113.62 110.38 1p9k n SER 35 Ca -0.05 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1p9k n SER 35 Cb 0.75 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 2.25 2.44 0.00 5.00 0.00 -1.26 -4.83 105.19 108.79 1p9k n GLY 36 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.59 1.39 -0.94 4.61 0.00 -1.26 -3.84 120.51 119.87 1p9k n ALA 37 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.19 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 -0.07 0.00 0.00 0.00 -0.06 -1.26 -3.35 117.38 112.64 1p9k n GLN 38 Ca 0.00 0.03 0.00 0.00 -2.00 0.00 0.00 57.00 55.03 1p9k n GLN 38 Cb 0.09 -1.00 0.00 0.00 -4.06 0.00 0.00 30.24 25.27 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 -0.59 2.41 -2.39 1.69 0.00 -1.26 -4.83 120.51 115.55 1p9k n ALA 39 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 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 -0.43 -1.71 0.26 0.00 5.02 -1.21 -4.83 118.16 115.26 1p9k n LYS 40 Ca 0.00 1.00 0.18 0.00 -2.02 0.00 0.00 58.31 57.46 1p9k n LYS 40 Cb 0.03 -5.66 0.94 0.00 -0.02 0.00 0.00 35.03 30.32 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 -1.88 -2.15 117.51 115.34 1p9k h ILE 41 Ca -0.48 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1p9k h ILE 41 Cb 1.36 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 1p9k h ILE 41 CO 0.57 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.72 1p9k n ALA 42 N -1.94 -0.01 -0.35 1.87 0.00 -1.25 -2.08 120.51 116.74 1p9k n ALA 42 Ca -0.02 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.67 1p9k n ALA 42 Cb 0.06 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.04 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 0.43 0.26 0.00 1.08 -1.83 -1.92 117.51 115.53 1p9k h ILE 43 Ca 0.00 -0.11 -0.01 0.00 -0.39 0.00 0.00 64.86 64.34 1p9k h ILE 43 Cb 0.00 0.07 0.00 0.00 -3.07 0.00 0.00 36.82 33.82 1p9k h ILE 43 CO 0.00 0.06 -0.12 0.00 -0.69 0.00 0.00 178.15 177.40 1p9k h ALA 44 N 1.63 -1.00 -0.68 1.87 0.00 -1.53 -2.62 119.26 116.93 1p9k h ALA 44 Ca 0.65 -0.08 0.25 0.00 0.00 0.00 0.00 54.91 55.74 1p9k h ALA 44 Cb 1.72 0.13 -0.12 0.00 0.00 0.00 0.00 17.79 19.52 1p9k h ALA 44 CO -0.34 -0.98 0.26 -1.91 0.00 0.00 0.00 179.25 176.28 1p9k n GLU 45 N -2.99 -0.05 0.00 0.00 4.07 -0.75 -0.71 120.64 120.21 1p9k n GLU 45 Ca -0.04 0.97 0.00 0.00 -0.06 0.00 0.00 57.16 58.02 1p9k n GLU 45 Cb 0.14 -1.67 0.00 0.00 -0.06 0.00 0.00 31.44 29.85 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 -1.23 -2.80 0.03 8.31 0.00 -1.07 -2.66 105.19 105.76 1p9k n GLY 46 Ca 0.23 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.89 0.01 0.00 1.61 -0.00 0.03 -3.63 117.38 114.51 1p9k n GLN 47 Ca 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 57.00 57.27 1p9k n GLN 47 Cb 0.00 -1.86 0.00 0.00 -0.00 0.00 0.00 30.24 28.38 1p9k n GLN 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1p9k n VAL 48 N -1.34 0.00 -3.54 -0.39 0.31 0.11 -4.86 118.33 108.62 1p9k n VAL 48 Ca -0.00 0.04 -0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1p9k n VAL 48 Cb 0.32 -0.27 -0.04 0.00 -0.91 0.00 0.00 33.84 32.94 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 0.45 0.12 5.55 -0.14 -1.06 -4.83 119.74 119.83 1p9k s LYS 49 Ca 0.00 1.09 0.08 0.00 -1.36 0.00 0.00 55.97 55.78 1p9k s LYS 49 Cb 0.00 0.61 -0.04 0.00 -1.68 0.00 0.00 37.83 36.72 1p9k s LYS 49 CO 0.00 -0.15 -0.12 0.08 -0.76 0.00 0.00 175.35 174.40 1p9k s VAL 50 N 2.57 3.20 -0.90 3.17 1.01 -0.80 -0.80 120.40 127.84 1p9k s VAL 50 Ca -0.05 -1.38 -0.25 0.00 0.00 0.00 0.00 61.98 60.31 1p9k s VAL 50 Cb -0.09 -2.50 -0.22 0.00 0.00 0.00 0.00 36.38 33.58 1p9k s VAL 50 CO -0.18 0.09 2.51 -0.67 0.00 0.00 0.00 175.10 176.84 1p9k n ASP 51 N 0.66 0.34 -0.59 3.32 2.03 0.29 0.14 116.55 122.75 1p9k n ASP 51 Ca -0.14 -0.22 -0.08 0.00 0.52 0.00 0.00 54.79 54.87 1p9k n ASP 51 Cb 0.53 -1.00 -0.03 0.00 -0.72 0.00 0.00 41.12 39.89 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 6.22 0.93 2.52 0.27 0.00 -1.26 -4.79 105.19 109.07 1p9k n GLY 52 Ca 0.60 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.11 0.31 -1.25 4.61 0.00 0.38 -5.04 121.76 118.66 1p9k s ALA 53 Ca 0.00 -1.78 -0.10 0.00 0.00 0.00 0.00 51.96 50.08 1p9k s ALA 53 Cb 0.00 -1.93 0.18 0.00 0.00 0.00 0.00 23.12 21.37 1p9k s ALA 53 CO 0.00 -2.06 1.77 1.55 0.00 0.00 0.00 175.76 177.01 1p9k n VAL 54 N 3.02 4.40 -2.96 0.00 3.14 -1.25 -1.91 118.33 122.77 1p9k n VAL 54 Ca 0.25 -4.57 -0.06 0.00 -2.96 0.00 0.00 64.34 56.99 1p9k n VAL 54 Cb 0.50 -2.36 0.02 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 3.98 0.83 -2.71 1.45 1.02 -1.26 -4.96 120.64 118.99 1p9k n GLU 55 Ca 0.38 -1.00 -0.05 0.00 -0.02 0.00 0.00 57.16 56.46 1p9k n GLU 55 Cb 0.37 -0.09 0.07 0.00 -0.02 0.00 0.00 31.44 31.77 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 -1.45 0.70 -2.91 2.62 5.66 -1.26 -0.92 114.28 116.71 1p9k n THR 56 Ca 0.05 -2.38 -0.19 0.00 -3.05 0.00 0.00 64.05 58.47 1p9k n THR 56 Cb 0.19 0.95 0.05 0.00 -1.55 0.00 0.00 70.33 69.97 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 -2.09 2.42 0.11 1.09 0.52 -1.26 -4.64 118.95 115.10 1p9k s ARG 57 Ca 0.23 -1.33 -0.09 0.00 -0.52 0.00 0.00 55.73 54.02 1p9k s ARG 57 Cb 0.41 -2.62 -0.14 0.00 0.52 0.00 0.00 34.95 33.12 1p9k s ARG 57 CO -0.03 -0.73 1.27 0.87 0.02 0.00 0.00 175.30 176.70 1p9k h LYS 58 N 0.22 0.60 -5.51 3.54 6.56 -1.93 -3.42 116.57 116.63 1p9k h LYS 58 Ca -0.36 -0.60 -0.43 0.00 -1.06 0.00 0.00 60.65 58.21 1p9k h LYS 58 Cb 1.28 0.16 -0.16 0.00 -0.57 0.00 0.00 32.23 32.95 1p9k h LYS 58 CO 0.43 1.21 -0.74 -0.98 -2.06 0.00 0.00 179.45 177.31 1p9k s ARG 59 N -3.41 1.22 -0.13 3.15 1.70 -1.26 -4.07 118.95 116.14 1p9k s ARG 59 Ca -0.08 -1.47 -0.02 0.00 -0.47 0.00 0.00 55.73 53.69 1p9k s ARG 59 Cb 0.08 -1.03 0.04 0.00 -0.57 0.00 0.00 34.95 33.48 1p9k s ARG 59 CO 0.89 0.18 0.00 0.00 -1.08 0.00 0.00 175.30 175.29 1p9k s LYS 61 N 1.87 2.94 0.02 0.00 1.02 -1.26 -4.34 119.74 120.00 1p9k s LYS 61 Ca 0.02 -0.24 0.03 0.00 0.02 0.00 0.00 55.97 55.80 1p9k s LYS 61 Cb -0.14 -4.79 -0.02 0.00 -0.52 0.00 0.00 37.83 32.36 1p9k s LYS 61 CO -0.07 -2.70 -0.10 0.42 -0.92 0.00 0.00 175.35 171.98 1p9k s ILE 62 N 7.79 0.74 0.29 2.17 -1.09 -1.26 -4.98 121.20 124.87 1p9k s ILE 62 Ca 0.57 -0.76 -0.06 0.00 -2.23 0.00 0.00 60.65 58.17 1p9k s ILE 62 Cb -0.07 -0.69 -0.00 0.00 -1.58 0.00 0.00 42.46 40.12 1p9k s ILE 62 CO 0.06 -0.05 0.43 0.68 -1.23 0.00 0.00 174.94 174.83 1p9k s VAL 63 N -0.75 0.00 0.00 2.92 -7.23 -1.26 -3.53 120.40 110.54 1p9k s VAL 63 Ca -0.01 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 1p9k s VAL 63 Cb -0.07 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.40 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 -0.46 0.00 -2.92 1.32 0.00 -1.26 -4.34 120.51 112.85 1p9k n ALA 64 Ca 0.00 0.00 -0.44 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 0.20 0.00 0.00 0.00 177.50 177.70 1p9k s GLY 65 N -0.82 2.30 0.20 0.00 0.00 -1.23 -3.31 107.32 104.45 1p9k s GLY 65 Ca 0.00 -3.26 0.10 0.00 0.00 0.00 0.00 44.72 41.56 1p9k s GLY 65 CO 0.00 2.10 -0.21 1.20 0.00 0.00 0.00 173.10 176.20 1p9k s GLN 66 N 1.91 1.46 0.09 2.90 -0.21 -0.27 -4.90 119.66 120.64 1p9k s GLN 66 Ca 0.43 -1.54 0.09 0.00 0.02 0.00 0.00 55.36 54.36 1p9k s GLN 66 Cb -0.02 -1.62 -0.04 0.00 1.00 0.00 0.00 33.01 32.33 1p9k s GLN 66 CO -0.00 0.33 -0.24 0.99 -2.12 0.00 0.00 175.29 174.25 1p9k s THR 67 N -2.04 2.43 0.09 -0.19 2.01 -1.26 0.13 115.64 116.80 1p9k s THR 67 Ca 0.21 -1.52 0.08 0.00 0.31 0.00 0.00 61.69 60.78 1p9k s THR 67 Cb -0.06 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.37 1p9k s THR 67 CO 0.10 0.21 -0.22 0.54 -0.69 0.00 0.00 174.62 174.56 1p9k s VAL 68 N -0.99 1.77 -0.03 3.82 0.11 0.45 0.10 120.40 125.65 1p9k s VAL 68 Ca 0.14 -1.46 -0.02 0.00 -2.93 0.00 0.00 61.98 57.72 1p9k s VAL 68 Cb -0.10 -1.58 0.01 0.00 -1.53 0.00 0.00 36.38 33.18 1p9k s VAL 68 CO 0.06 0.05 0.06 -0.44 -3.33 0.00 0.00 175.10 171.50 1p9k s SER 69 N -1.68 -0.06 -0.18 3.54 0.01 0.02 -1.81 113.70 113.55 1p9k s SER 69 Ca 0.08 0.13 -0.09 0.00 1.31 0.00 0.00 55.95 57.38 1p9k s SER 69 Cb -0.10 0.11 0.07 0.00 0.21 0.00 0.00 66.02 66.32 1p9k s SER 69 CO 0.04 -0.04 0.43 0.12 0.41 0.00 0.00 173.24 174.19 1p9k s PHE 70 N 0.20 -0.69 0.00 2.43 5.36 -0.55 -2.56 117.98 122.18 1p9k s PHE 70 Ca -0.01 1.40 0.00 0.00 -0.96 0.00 0.00 56.93 57.36 1p9k s PHE 70 Cb -0.02 0.30 0.00 0.00 -0.34 0.00 0.00 43.02 42.96 1p9k s PHE 70 CO -0.01 -0.39 0.00 0.00 -1.46 0.00 0.00 175.22 173.36 1p9k n ALA 71 N 4.60 0.00 -0.09 11.12 0.00 -1.26 0.77 120.51 135.66 1p9k n ALA 71 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1p9k n ALA 71 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 0.69 3.52 0.00 0.00 -1.26 -5.00 105.19 103.14 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 -0.47 2.97 -0.29 1.61 3.76 0.23 -5.01 115.29 118.10 1p9k s HIS 73 Ca 0.00 0.02 0.02 0.00 -0.15 0.00 0.00 55.06 54.95 1p9k s HIS 73 Cb 0.00 -3.67 0.07 0.00 1.11 0.00 0.00 32.58 30.09 1p9k s HIS 73 CO 0.00 -1.04 -0.05 -1.12 -0.85 0.00 0.00 174.74 171.68 1p9k s SER 74 N 2.30 4.61 0.10 1.40 0.01 -1.26 -1.48 113.70 119.38 1p9k s SER 74 Ca 0.27 -1.57 0.05 0.00 1.31 0.00 0.00 55.95 56.01 1p9k s SER 74 Cb -0.13 -1.60 -0.03 0.00 0.21 0.00 0.00 66.02 64.46 1p9k s SER 74 CO 0.20 -0.25 -0.13 -0.69 0.41 0.00 0.00 173.24 172.77 1p9k s VAL 75 N 1.08 1.18 0.33 3.43 1.01 -0.75 -4.87 120.40 121.80 1p9k s VAL 75 Ca -0.03 -1.54 0.08 0.00 0.00 0.00 0.00 61.98 60.49 1p9k s VAL 75 Cb -0.20 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 1p9k s VAL 75 CO -0.05 -0.37 0.12 -1.10 0.00 0.00 0.00 175.10 173.70 1p9k s GLN 76 N -2.33 2.36 0.03 2.72 -0.21 -0.77 -0.41 119.66 121.05 1p9k s GLN 76 Ca 0.04 -1.53 0.02 0.00 0.02 0.00 0.00 55.36 53.91 1p9k s GLN 76 Cb -0.07 -2.17 -0.02 0.00 1.00 0.00 0.00 33.01 31.75 1p9k s GLN 76 CO 0.02 0.15 -0.07 0.08 -2.12 0.00 0.00 175.29 173.36 1p9k s VAL 77 N -2.41 0.47 0.15 1.09 1.01 0.34 0.07 120.40 121.11 1p9k s VAL 77 Ca 0.37 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.44 1p9k s VAL 77 Cb -0.03 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 1p9k s VAL 77 CO 0.22 -0.33 -0.10 0.68 0.00 0.00 0.00 175.10 175.57 1p9k s VAL 78 N -1.23 1.16 0.00 2.92 -7.23 0.34 -1.11 120.40 115.25 1p9k s VAL 78 Ca -0.09 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.02 1p9k s VAL 78 Cb -0.09 -1.85 0.00 0.00 0.56 0.00 0.00 36.38 35.00 1p9k s VAL 78 CO 0.00 -0.75 0.00 0.00 -0.31 0.00 0.00 175.10 174.05