#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 1.16 -4.64 1.61 7.64 -1.26 -4.98 113.62 113.15 1p9k n SER 2 Ca 0.00 0.18 -0.42 0.00 1.01 0.00 0.00 58.87 59.64 1p9k n SER 2 Cb 0.00 -0.41 -0.05 0.00 -1.01 0.00 0.00 64.21 62.74 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 -2.26 4.15 -0.42 1.43 -2.45 -1.26 -4.97 119.30 113.52 1p9k s MET 3 Ca -0.11 0.85 0.07 0.00 -1.25 0.00 0.00 55.69 55.25 1p9k s MET 3 Cb 0.03 -3.65 0.23 0.00 1.25 0.00 0.00 34.83 32.68 1p9k s MET 3 CO 0.15 -0.52 0.50 0.44 1.05 0.00 0.00 175.02 176.65 1p9k n ILE 4 N 5.27 -0.53 -1.37 10.11 -5.35 -1.26 -5.08 119.36 121.15 1p9k n ILE 4 Ca 0.04 -4.00 0.00 0.00 -0.27 0.00 0.00 62.75 58.53 1p9k n ILE 4 Cb 0.48 -1.91 0.00 0.00 -1.74 0.00 0.00 39.64 36.46 1p9k n ILE 4 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 1p9k n HIS 5 N 1.67 -3.76 -2.71 4.28 -0.00 -1.26 -5.04 115.22 108.40 1p9k n HIS 5 Ca 0.23 2.00 -0.06 0.00 -0.00 0.00 0.00 57.72 59.90 1p9k n HIS 5 Cb 0.51 -3.16 0.06 0.00 -0.00 0.00 0.00 29.99 27.39 1p9k n HIS 5 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 1p9k n ARG 6 N -0.84 0.42 -0.06 1.57 3.00 -1.26 -5.05 116.66 114.45 1p9k n ARG 6 Ca 0.00 -1.22 -0.06 0.00 -0.00 0.00 0.00 57.85 56.56 1p9k n ARG 6 Cb 0.00 -0.80 -0.02 0.00 0.00 0.00 0.00 32.46 31.64 1p9k n ARG 6 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 1p9k n MET 7 N 1.75 0.37 -4.31 -0.14 2.81 -1.26 -5.07 117.12 111.27 1p9k n MET 7 Ca 0.06 0.16 -0.16 0.00 -1.81 0.00 0.00 57.70 55.96 1p9k n MET 7 Cb 0.66 -1.17 -0.10 0.00 -0.71 0.00 0.00 33.22 31.89 1p9k n MET 7 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1p9k s SER 8 N -5.34 1.65 -0.22 7.83 1.04 -1.26 -5.15 113.70 112.26 1p9k s SER 8 Ca -0.20 -1.23 -0.04 0.00 0.48 0.00 0.00 55.95 54.96 1p9k s SER 8 Cb 0.03 0.04 0.09 0.00 0.10 0.00 0.00 66.02 66.28 1p9k s SER 8 CO 0.30 -0.55 0.15 0.21 0.98 0.00 0.00 173.24 174.33 1p9k s ASN 9 N -3.29 2.33 -0.16 7.02 2.47 -1.26 -5.13 114.94 116.93 1p9k s ASN 9 Ca 0.29 -0.70 -0.16 0.00 0.42 0.00 0.00 52.86 52.71 1p9k s ASN 9 Cb 0.06 -0.04 -0.04 0.00 -1.45 0.00 0.00 41.25 39.78 1p9k s ASN 9 CO 0.09 -0.37 0.41 -0.04 -3.72 0.00 0.00 177.10 173.47 1p9k s MET 10 N 2.20 4.27 -0.25 0.43 -1.94 -1.26 -5.05 119.30 117.70 1p9k s MET 10 Ca 0.06 0.29 -0.25 0.00 -1.71 0.00 0.00 55.69 54.08 1p9k s MET 10 Cb -0.16 -3.47 -0.00 0.00 2.01 0.00 0.00 34.83 33.21 1p9k s MET 10 CO -0.19 0.10 0.86 0.00 -0.01 0.00 0.00 175.02 175.78 1p9k s ALA 11 N 0.84 3.64 -0.03 3.03 0.00 -1.26 -5.03 121.76 122.95 1p9k s ALA 11 Ca 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1p9k s ALA 11 Cb -0.14 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 19.67 1p9k s ALA 11 CO 0.08 -0.98 -0.01 0.95 0.00 0.00 0.00 175.76 175.80 1p9k s THR 12 N 2.92 0.25 0.17 0.00 -4.23 -1.26 -2.29 115.64 111.21 1p9k s THR 12 Ca 0.36 0.05 0.01 0.00 -1.18 0.00 0.00 61.69 60.93 1p9k s THR 12 Cb -0.15 -0.34 -0.04 0.00 1.34 0.00 0.00 72.50 73.31 1p9k s THR 12 CO 0.08 0.17 0.34 0.12 -0.54 0.00 0.00 174.62 174.78 1p9k s PHE 13 N 1.07 3.49 0.18 3.99 5.36 0.30 -4.91 117.98 127.46 1p9k s PHE 13 Ca -0.09 0.24 0.06 0.00 -0.96 0.00 0.00 56.93 56.17 1p9k s PHE 13 Cb -0.14 -1.77 -0.04 0.00 -0.34 0.00 0.00 43.02 40.74 1p9k s PHE 13 CO -0.02 0.45 0.12 -1.12 -1.46 0.00 0.00 175.22 173.20 1p9k s SER 14 N -3.16 5.42 0.00 6.13 0.01 -1.26 -2.21 113.70 118.63 1p9k s SER 14 Ca 0.37 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.44 1p9k s SER 14 Cb -0.11 -1.38 0.00 0.00 0.21 0.00 0.00 66.02 64.74 1p9k s SER 14 CO 0.29 0.06 0.00 0.18 0.41 0.00 0.00 173.24 174.18 1p9k n LEU 15 N -0.42 0.40 0.00 2.44 4.77 -0.17 -4.86 117.00 119.17 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 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1p9k n LEU 15 CO 0.43 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1p9k n GLY 16 N 2.81 1.79 2.57 -0.72 0.00 -1.25 -3.68 105.19 106.71 1p9k n GLY 16 Ca 0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 2.12 1.09 -4.52 1.61 4.81 -1.26 -4.66 118.16 117.34 1p9k n LYS 17 Ca 0.00 -2.60 -0.27 0.00 -0.87 0.00 0.00 58.31 54.57 1p9k n LYS 17 Cb 0.00 -0.99 -0.10 0.00 0.02 0.00 0.00 35.03 33.95 1p9k n LYS 17 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1p9k s HIS 18 N -1.30 2.51 0.27 5.64 3.76 -1.24 -5.04 115.29 119.88 1p9k s HIS 18 Ca 0.28 -0.61 -0.01 0.00 -0.15 0.00 0.00 55.06 54.57 1p9k s HIS 18 Cb 0.38 -1.70 0.59 0.00 1.11 0.00 0.00 32.58 32.96 1p9k s HIS 18 CO -0.04 0.45 1.69 -1.00 -0.85 0.00 0.00 174.74 174.98 1p9k h PRO 19 N 1.78 0.31 0.00 8.40 0.13 -1.97 -3.48 132.00 137.17 1p9k h PRO 19 Ca -0.43 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1p9k h PRO 19 Cb 1.24 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1p9k h PRO 19 CO 0.76 0.20 0.00 -2.39 -0.23 0.00 0.00 178.00 176.35 1p9k n HIS 20 N -5.12 0.00 -4.13 1.56 1.44 -1.26 -4.74 115.22 102.96 1p9k n HIS 20 Ca 0.18 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.74 1p9k n HIS 20 Cb 0.55 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.54 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 -3.00 0.63 0.24 0.61 -7.23 -1.24 -5.00 120.40 105.41 1p9k s VAL 21 Ca 0.00 -0.90 -0.22 0.00 -1.81 0.00 0.00 61.98 59.05 1p9k s VAL 21 Cb 0.00 -0.64 -0.09 0.00 0.56 0.00 0.00 36.38 36.21 1p9k s VAL 21 CO 0.00 -0.21 0.79 -1.61 -0.31 0.00 0.00 175.10 173.76 1p9k s GLU 22 N -1.21 4.40 0.43 4.82 2.02 -1.25 -3.55 118.70 124.36 1p9k s GLU 22 Ca -0.05 1.04 0.31 0.00 0.02 0.00 0.00 54.97 56.30 1p9k s GLU 22 Cb -0.08 -2.94 1.48 0.00 0.10 0.00 0.00 34.13 32.69 1p9k s GLU 22 CO 0.01 0.40 1.56 1.28 0.02 0.00 0.00 175.26 178.53 1p9k n LEU 23 N 0.86 0.22 0.07 1.80 4.32 -1.26 0.17 117.00 123.19 1p9k n LEU 23 Ca -0.02 1.41 -0.13 0.00 -0.02 0.00 0.00 56.01 57.25 1p9k n LEU 23 Cb 0.50 -0.69 -0.05 0.00 -1.62 0.00 0.00 43.42 41.56 1p9k n LEU 23 CO 0.44 -1.54 0.16 0.00 -1.22 0.00 0.00 177.39 175.23 1p9k h ASP 25 N 0.21 -0.73 -0.63 0.00 3.32 0.14 -0.13 116.42 118.59 1p9k h ASP 25 Ca -0.08 0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.07 1p9k h ASP 25 Cb 1.61 0.19 -0.06 0.00 0.22 0.00 0.00 39.33 41.28 1p9k h ASP 25 CO 0.17 -0.43 0.29 0.25 -1.72 0.00 0.00 179.24 177.79 1p9k h LEU 26 N -1.03 0.36 0.39 1.55 6.46 -1.45 0.43 115.31 122.02 1p9k h LEU 26 Ca -0.09 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.71 1p9k h LEU 26 Cb 0.66 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.59 1p9k h LEU 26 CO 0.14 0.22 -0.19 -0.07 -0.62 0.00 0.00 178.44 177.93 1p9k h LEU 27 N 0.52 -0.45 -0.12 2.25 4.07 -1.48 -1.39 115.31 118.72 1p9k h LEU 27 Ca 0.30 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.22 1p9k h LEU 27 Cb 0.31 0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 1p9k h LEU 27 CO -0.25 -0.23 0.07 0.50 -1.08 0.00 0.00 178.44 177.45 1p9k h LYS 28 N -0.64 0.15 -0.26 1.13 3.64 -0.81 0.88 116.57 120.66 1p9k h LYS 28 Ca -0.05 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1p9k h LYS 28 Cb 0.47 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1p9k h LYS 28 CO 0.09 0.10 0.11 -0.07 -2.27 0.00 0.00 179.45 177.40 1p9k h LEU 29 N 0.15 0.14 -0.31 5.20 3.38 -0.92 -1.59 115.31 121.35 1p9k h LEU 29 Ca 0.04 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1p9k h LEU 29 Cb -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1p9k h LEU 29 CO -0.01 0.12 0.00 -0.62 0.09 0.00 0.00 178.44 178.01 1p9k n GLU 30 N -5.01 0.10 -0.60 1.13 -0.58 -0.53 -4.86 120.64 110.29 1p9k n GLU 30 Ca -0.01 0.32 0.00 0.00 -0.42 0.00 0.00 57.16 57.04 1p9k n GLU 30 Cb 0.08 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.27 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 0.11 0.90 0.00 0.62 0.00 -0.60 -5.03 105.19 101.19 1p9k n GLY 31 Ca 0.03 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1p9k n GLY 31 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1p9k n TRP 32 N -2.42 0.00 -3.52 1.61 7.02 0.30 -4.79 117.44 115.64 1p9k n TRP 32 Ca 0.00 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.15 1p9k n TRP 32 Cb 0.07 -0.32 -0.05 0.00 -2.42 0.00 0.00 31.31 28.59 1p9k n TRP 32 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1p9k s SER 33 N -2.07 6.64 0.15 -0.99 0.15 -1.25 -5.00 113.70 111.33 1p9k s SER 33 Ca 0.00 0.83 0.01 0.00 0.70 0.00 0.00 55.95 57.49 1p9k s SER 33 Cb 0.00 -2.19 -0.07 0.00 -1.71 0.00 0.00 66.02 62.05 1p9k s SER 33 CO 0.00 0.07 1.33 -0.33 1.20 0.00 0.00 173.24 175.52 1p9k h GLU 34 N 3.22 0.22 0.00 5.44 5.08 -1.95 -3.35 114.58 123.24 1p9k h GLU 34 Ca -0.48 -0.27 -0.24 0.00 -1.00 0.00 0.00 59.36 57.38 1p9k h GLU 34 Cb 1.18 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 1p9k h GLU 34 CO 0.68 1.01 -1.98 0.43 -1.00 0.00 0.00 179.01 178.15 1p9k n SER 35 N -3.64 1.35 0.00 1.42 7.64 -1.26 -5.06 113.62 114.07 1p9k n SER 35 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1p9k n SER 35 Cb 0.84 0.97 0.00 0.00 -1.01 0.00 0.00 64.21 65.01 1p9k n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1p9k n GLY 36 N 2.03 2.22 0.00 0.23 0.00 -1.26 -4.57 105.19 103.84 1p9k n GLY 36 Ca -0.22 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 2.30 0.13 4.61 0.00 -1.26 -3.49 120.51 122.80 1p9k n ALA 37 Ca 0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 53.44 52.97 1p9k n ALA 37 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1p9k n ALA 37 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1p9k h GLN 38 N 0.00 -0.60 -0.35 0.00 5.75 -2.00 -0.59 115.11 117.32 1p9k h GLN 38 Ca 0.00 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1p9k h GLN 38 Cb 0.01 0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.69 1p9k h GLN 38 CO 0.00 -0.40 0.00 0.00 -2.65 0.00 0.00 178.83 175.78 1p9k n ALA 39 N -2.74 2.12 -1.21 3.38 0.00 -1.26 -4.76 120.51 116.03 1p9k n ALA 39 Ca -0.07 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.30 1p9k n ALA 39 Cb 0.31 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.96 0.33 0.00 5.02 -0.23 -4.85 118.16 117.30 1p9k n LYS 40 Ca 0.00 0.66 0.20 0.00 -2.02 0.00 0.00 58.31 57.16 1p9k n LYS 40 Cb 0.09 -4.61 1.09 0.00 -0.02 0.00 0.00 35.03 31.58 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 0.09 0.00 -0.18 1.08 -1.74 -1.36 117.51 115.39 1p9k h ILE 41 Ca -0.15 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.32 1p9k h ILE 41 Cb 0.69 0.93 0.00 0.00 -3.07 0.00 0.00 36.82 35.37 1p9k h ILE 41 CO 0.21 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.67 1p9k n ALA 42 N -2.09 -0.06 -0.31 1.87 0.00 -1.23 -1.76 120.51 116.94 1p9k n ALA 42 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.55 1p9k n ALA 42 Cb 0.15 0.00 0.31 0.00 0.00 0.00 0.00 19.45 19.91 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 0.47 0.28 0.00 1.08 -1.84 -2.11 117.51 115.38 1p9k h ILE 43 Ca 0.00 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.32 1p9k h ILE 43 Cb 0.00 0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 33.78 1p9k h ILE 43 CO 0.00 0.07 -0.17 0.00 -0.69 0.00 0.00 178.15 177.36 1p9k h ALA 44 N 1.72 -1.03 -0.55 1.87 0.00 -1.39 -2.62 119.26 117.26 1p9k h ALA 44 Ca 0.57 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.56 1p9k h ALA 44 Cb 1.09 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 19.05 1p9k h ALA 44 CO -0.53 -1.01 0.09 -1.91 0.00 0.00 0.00 179.25 175.88 1p9k n GLU 45 N -3.30 -0.04 0.00 0.00 4.07 -0.72 -0.28 120.64 120.36 1p9k n GLU 45 Ca -0.05 0.80 0.00 0.00 -0.06 0.00 0.00 57.16 57.85 1p9k n GLU 45 Cb 0.17 -1.32 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 -1.24 -2.53 0.05 8.31 0.00 -1.05 -2.72 105.19 106.00 1p9k n GLY 46 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.18 1p9k n GLY 46 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1p9k n GLN 47 N -1.32 0.02 0.00 1.61 0.00 0.61 -3.50 117.38 114.81 1p9k n GLN 47 Ca 0.00 0.30 0.00 0.00 -0.00 0.00 0.00 57.00 57.30 1p9k n GLN 47 Cb 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 30.24 28.32 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 -1.43 0.00 -3.63 1.69 0.31 0.01 -4.86 118.33 110.41 1p9k n VAL 48 Ca -0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 1p9k n VAL 48 Cb 0.36 -0.24 -0.07 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 0.78 0.07 5.55 -0.14 -1.00 -4.84 119.74 120.16 1p9k s LYS 49 Ca 0.00 0.98 0.06 0.00 -1.36 0.00 0.00 55.97 55.65 1p9k s LYS 49 Cb 0.00 0.35 -0.03 0.00 -1.68 0.00 0.00 37.83 36.48 1p9k s LYS 49 CO 0.00 -0.10 -0.18 0.08 -0.76 0.00 0.00 175.35 174.39 1p9k s VAL 50 N 0.53 1.41 -0.74 3.17 1.01 -0.39 -0.48 120.40 124.91 1p9k s VAL 50 Ca -0.01 -1.28 -0.10 0.00 0.00 0.00 0.00 61.98 60.59 1p9k s VAL 50 Cb -0.05 -1.28 -0.22 0.00 0.00 0.00 0.00 36.38 34.82 1p9k s VAL 50 CO -0.03 -0.03 1.91 -0.67 0.00 0.00 0.00 175.10 176.29 1p9k n ASP 51 N 1.49 -0.97 0.00 3.32 2.03 0.17 0.10 116.55 122.69 1p9k n ASP 51 Ca -0.19 -1.01 0.00 0.00 0.52 0.00 0.00 54.79 54.11 1p9k n ASP 51 Cb 0.54 -0.78 0.00 0.00 -0.72 0.00 0.00 41.12 40.16 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 5.49 3.10 3.11 0.27 0.00 -1.26 -4.74 105.19 111.15 1p9k n GLY 52 Ca 0.47 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.37 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 -2.83 -0.60 -0.37 4.61 0.00 0.12 -5.12 121.76 117.57 1p9k s ALA 53 Ca 0.00 0.80 -0.08 0.00 0.00 0.00 0.00 51.96 52.68 1p9k s ALA 53 Cb 0.00 -0.48 0.05 0.00 0.00 0.00 0.00 23.12 22.68 1p9k s ALA 53 CO 0.00 -0.14 0.17 0.54 0.00 0.00 0.00 175.76 176.33 1p9k s VAL 54 N 0.51 4.11 0.02 0.00 0.11 -1.26 -1.27 120.40 122.62 1p9k s VAL 54 Ca -0.03 -1.13 0.00 0.00 -2.93 0.00 0.00 61.98 57.89 1p9k s VAL 54 Cb -0.05 -3.37 0.00 0.00 -1.53 0.00 0.00 36.38 31.44 1p9k s VAL 54 CO -0.03 -0.28 0.02 -0.62 -3.33 0.00 0.00 175.10 170.86 1p9k n GLU 55 N 4.89 1.13 -0.94 1.54 1.02 -1.23 -4.97 120.64 122.08 1p9k n GLU 55 Ca -0.11 -0.09 -0.05 0.00 -0.02 0.00 0.00 57.16 56.88 1p9k n GLU 55 Cb 0.45 -0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.81 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 -0.89 0.00 -2.63 2.62 5.66 -1.26 -0.59 114.28 117.19 1p9k n THR 56 Ca 0.00 -0.02 -0.21 0.00 -3.05 0.00 0.00 64.05 60.77 1p9k n THR 56 Cb 0.02 0.41 0.04 0.00 -1.55 0.00 0.00 70.33 69.25 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 0.00 2.53 0.01 1.09 0.52 -1.26 -4.74 118.95 117.11 1p9k s ARG 57 Ca 0.00 -0.78 -0.19 0.00 -0.52 0.00 0.00 55.73 54.24 1p9k s ARG 57 Cb 0.01 -2.48 -0.23 0.00 0.52 0.00 0.00 34.95 32.76 1p9k s ARG 57 CO -0.00 -0.72 1.11 -0.22 0.02 0.00 0.00 175.30 175.48 1p9k h LYS 58 N 0.06 0.44 -5.82 3.54 3.64 -1.94 -3.44 116.57 113.04 1p9k h LYS 58 Ca -0.42 -0.47 -0.66 0.00 -1.27 0.00 0.00 60.65 57.83 1p9k h LYS 58 Cb 1.30 0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 33.16 1p9k h LYS 58 CO 0.52 1.13 -0.53 1.03 -2.27 0.00 0.00 179.45 179.33 1p9k s ARG 59 N -3.22 3.27 -0.32 1.90 3.00 -1.26 -4.06 118.95 118.26 1p9k s ARG 59 Ca -0.13 -0.31 -0.12 0.00 0.00 0.00 0.00 55.73 55.17 1p9k s ARG 59 Cb 0.04 -3.02 -0.03 0.00 0.00 0.00 0.00 34.95 31.94 1p9k s ARG 59 CO 0.83 0.71 0.23 0.00 0.00 0.00 0.00 175.30 177.07 1p9k n LYS 61 N 5.09 3.35 -4.00 0.00 5.02 -1.26 -3.62 118.16 122.74 1p9k n LYS 61 Ca -0.13 -4.48 -0.10 0.00 -2.02 0.00 0.00 58.31 51.57 1p9k n LYS 61 Cb 0.50 -2.50 -0.11 0.00 -0.02 0.00 0.00 35.03 32.90 1p9k n LYS 61 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1p9k s ILE 62 N -1.51 0.21 0.31 -0.18 1.01 -1.26 -5.04 121.20 114.74 1p9k s ILE 62 Ca 0.30 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 60.01 1p9k s ILE 62 Cb -0.07 -0.32 0.01 0.00 0.01 0.00 0.00 42.46 42.08 1p9k s ILE 62 CO -0.07 -0.42 0.52 0.68 0.00 0.00 0.00 174.94 175.65 1p9k s VAL 63 N -1.29 0.00 0.00 2.92 -7.23 -1.26 -3.88 120.40 109.67 1p9k s VAL 63 Ca -0.13 -1.44 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 1p9k s VAL 63 Cb -0.09 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.35 1p9k s VAL 63 CO -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.78 1p9k n ALA 64 N -0.48 0.00 -3.46 1.32 0.00 -1.26 -4.49 120.51 112.13 1p9k n ALA 64 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 1p9k n ALA 64 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.05 2.95 0.30 0.00 0.00 -1.24 -2.62 107.32 106.66 1p9k s GLY 65 Ca 0.00 -3.63 0.09 0.00 0.00 0.00 0.00 44.72 41.18 1p9k s GLY 65 CO 0.00 1.25 -0.12 1.20 0.00 0.00 0.00 173.10 175.43 1p9k s GLN 66 N -0.75 1.67 -0.03 2.90 -1.52 -0.58 -4.92 119.66 116.44 1p9k s GLN 66 Ca 0.25 -1.82 0.07 0.00 -1.95 0.00 0.00 55.36 51.90 1p9k s GLN 66 Cb -0.11 -1.53 -0.02 0.00 -0.22 0.00 0.00 33.01 31.13 1p9k s GLN 66 CO -0.09 0.17 -0.24 0.99 -0.25 0.00 0.00 175.29 175.87 1p9k s THR 67 N -2.72 2.20 -0.09 -0.19 2.01 -1.26 0.13 115.64 115.72 1p9k s THR 67 Ca 0.30 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 61.25 1p9k s THR 67 Cb 0.01 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.71 1p9k s THR 67 CO 0.14 0.58 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.89 1p9k s VAL 68 N -0.62 3.65 -0.06 3.82 1.01 0.34 0.46 120.40 129.00 1p9k s VAL 68 Ca 0.10 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.61 1p9k s VAL 68 Cb -0.10 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.78 1p9k s VAL 68 CO -0.01 0.57 -0.07 -0.44 0.00 0.00 0.00 175.10 175.15 1p9k s SER 69 N -0.48 1.40 -0.30 3.32 0.01 0.36 -0.88 113.70 117.14 1p9k s SER 69 Ca 0.07 -0.20 -0.16 0.00 1.31 0.00 0.00 55.95 56.96 1p9k s SER 69 Cb -0.12 -0.62 0.19 0.00 0.21 0.00 0.00 66.02 65.68 1p9k s SER 69 CO 0.02 -0.04 1.17 0.12 0.41 0.00 0.00 173.24 174.93 1p9k s PHE 70 N 0.97 -0.23 -1.35 2.43 5.36 -0.95 -2.37 117.98 121.85 1p9k s PHE 70 Ca -0.10 0.46 -0.06 0.00 -0.96 0.00 0.00 56.93 56.28 1p9k s PHE 70 Cb -0.15 0.15 0.02 0.00 -0.34 0.00 0.00 43.02 42.71 1p9k s PHE 70 CO 0.00 -0.11 0.98 0.00 -1.46 0.00 0.00 175.22 174.63 1p9k n ALA 71 N 3.23 -1.65 -0.79 11.12 0.00 -1.26 -0.87 120.51 130.28 1p9k n ALA 71 Ca -0.17 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1p9k n ALA 71 Cb 0.57 -3.66 0.00 0.00 0.00 0.00 0.00 19.45 16.35 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 -1.62 0.47 3.38 0.00 0.00 -1.26 -4.94 105.19 101.22 1p9k n GLY 72 Ca -0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.36 3.07 -0.49 1.61 3.76 -0.05 -5.00 115.29 115.83 1p9k s HIS 73 Ca 0.00 -1.09 -0.13 0.00 -0.15 0.00 0.00 55.06 53.69 1p9k s HIS 73 Cb 0.00 -4.03 0.11 0.00 1.11 0.00 0.00 32.58 29.77 1p9k s HIS 73 CO 0.00 -1.30 0.40 -1.12 -0.85 0.00 0.00 174.74 171.87 1p9k s SER 74 N 3.51 5.96 0.09 1.40 0.01 -1.26 -2.24 113.70 121.17 1p9k s SER 74 Ca 0.14 -1.69 0.10 0.00 1.31 0.00 0.00 55.95 55.81 1p9k s SER 74 Cb -0.21 -2.11 -0.03 0.00 0.21 0.00 0.00 66.02 63.87 1p9k s SER 74 CO 0.03 -0.72 -0.26 -0.69 0.41 0.00 0.00 173.24 172.01 1p9k s VAL 75 N 1.51 2.17 0.03 3.43 1.01 -0.05 -4.62 120.40 123.88 1p9k s VAL 75 Ca 0.04 -1.58 0.05 0.00 0.00 0.00 0.00 61.98 60.48 1p9k s VAL 75 Cb -0.27 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1p9k s VAL 75 CO 0.03 0.20 -0.09 -1.10 0.00 0.00 0.00 175.10 174.14 1p9k s GLN 76 N -1.69 2.41 0.06 2.72 1.11 -0.97 0.13 119.66 123.42 1p9k s GLN 76 Ca 0.13 -0.82 0.09 0.00 0.01 0.00 0.00 55.36 54.77 1p9k s GLN 76 Cb -0.10 -2.42 -0.03 0.00 -1.01 0.00 0.00 33.01 29.45 1p9k s GLN 76 CO 0.04 0.57 -0.26 0.08 0.01 0.00 0.00 175.29 175.74 1p9k s VAL 77 N -1.04 2.10 0.16 1.09 1.01 0.34 0.11 120.40 124.17 1p9k s VAL 77 Ca 0.18 -1.45 0.06 0.00 0.00 0.00 0.00 61.98 60.77 1p9k s VAL 77 Cb -0.11 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1p9k s VAL 77 CO 0.09 0.28 -0.14 0.68 0.00 0.00 0.00 175.10 176.02 1p9k s VAL 78 N -0.86 1.47 -2.13 2.92 -7.23 -0.94 -1.52 120.40 112.10 1p9k s VAL 78 Ca 0.12 -1.96 0.31 0.00 -1.81 0.00 0.00 61.98 58.63 1p9k s VAL 78 Cb -0.10 -1.79 0.82 0.00 0.56 0.00 0.00 36.38 35.87 1p9k s VAL 78 CO 0.03 -0.54 2.10 0.00 -0.31 0.00 0.00 175.10 176.39