#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 5.73 -0.16 1.61 0.01 -1.26 -4.98 113.70 114.65 1p9k s SER 2 Ca 0.00 -0.26 -0.13 0.00 1.31 0.00 0.00 55.95 56.86 1p9k s SER 2 Cb 0.00 -2.06 -0.05 0.00 0.21 0.00 0.00 66.02 64.12 1p9k s SER 2 CO 0.00 -0.12 -0.25 0.23 0.41 0.00 0.00 173.24 173.51 1p9k n MET 3 N 5.02 0.49 -0.02 12.44 2.81 -1.26 -4.85 117.12 131.76 1p9k n MET 3 Ca -0.14 0.39 -0.02 0.00 -1.81 0.00 0.00 57.70 56.12 1p9k n MET 3 Cb 0.51 -1.58 -0.02 0.00 -0.71 0.00 0.00 33.22 31.42 1p9k n MET 3 CO 0.00 0.00 0.00 1.51 1.51 0.00 0.00 175.97 178.99 1p9k n ILE 4 N -4.53 0.21 -3.39 2.02 3.06 -1.26 -5.02 119.36 110.44 1p9k n ILE 4 Ca -0.12 -0.13 -0.38 0.00 -2.50 0.00 0.00 62.75 59.62 1p9k n ILE 4 Cb 0.40 -0.91 -0.06 0.00 0.54 0.00 0.00 39.64 39.62 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 -2.07 3.74 -0.30 9.51 3.76 -1.26 -5.06 115.29 123.61 1p9k s HIS 5 Ca -0.02 1.11 -0.03 0.00 -0.15 0.00 0.00 55.06 55.98 1p9k s HIS 5 Cb 0.01 -2.38 0.19 0.00 1.11 0.00 0.00 32.58 31.51 1p9k s HIS 5 CO 0.12 0.59 0.76 -0.98 -0.85 0.00 0.00 174.74 174.38 1p9k s ARG 6 N -1.23 0.43 -0.19 1.40 1.70 -1.26 -4.70 118.95 115.09 1p9k s ARG 6 Ca 0.28 0.62 -0.09 0.00 -0.47 0.00 0.00 55.73 56.07 1p9k s ARG 6 Cb -0.18 0.33 -0.05 0.00 -0.57 0.00 0.00 34.95 34.49 1p9k s ARG 6 CO 0.17 -0.59 0.10 -1.64 -1.08 0.00 0.00 175.30 172.26 1p9k s MET 7 N 2.89 4.11 0.38 3.89 -1.94 -1.26 -4.91 119.30 122.46 1p9k s MET 7 Ca 0.14 -0.27 0.00 0.00 -1.71 0.00 0.00 55.69 53.85 1p9k s MET 7 Cb -0.11 -3.34 0.00 0.00 2.01 0.00 0.00 34.83 33.39 1p9k s MET 7 CO -0.20 0.29 0.00 0.45 -0.01 0.00 0.00 175.02 175.55 1p9k n SER 8 N 3.52 -2.07 -0.09 3.03 2.88 -1.26 -4.99 113.62 114.64 1p9k n SER 8 Ca -0.16 0.70 -0.13 0.00 -1.33 0.00 0.00 58.87 57.95 1p9k n SER 8 Cb 0.52 2.05 -0.09 0.00 -0.75 0.00 0.00 64.21 65.94 1p9k n SER 8 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1p9k n ASN 9 N -3.48 2.43 -4.55 -3.46 0.23 -1.26 -4.78 115.26 100.39 1p9k n ASN 9 Ca 0.00 -0.09 -0.43 0.00 -0.53 0.00 0.00 54.58 53.53 1p9k n ASN 9 Cb 0.00 -0.20 -0.01 0.00 -2.08 0.00 0.00 39.78 37.49 1p9k n ASN 9 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 1p9k s MET 10 N -2.38 3.92 -0.05 -3.83 -1.94 -1.26 -4.97 119.30 108.78 1p9k s MET 10 Ca -0.24 -1.94 -0.23 0.00 -1.71 0.00 0.00 55.69 51.56 1p9k s MET 10 Cb 0.06 -5.38 -0.04 0.00 2.01 0.00 0.00 34.83 31.48 1p9k s MET 10 CO 0.45 -2.13 0.70 0.00 -0.01 0.00 0.00 175.02 174.03 1p9k s ALA 11 N 3.78 3.35 -0.02 3.03 0.00 -1.26 -4.93 121.76 125.71 1p9k s ALA 11 Ca 0.49 0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.60 1p9k s ALA 11 Cb 0.02 -2.94 0.02 0.00 0.00 0.00 0.00 23.12 20.21 1p9k s ALA 11 CO 0.02 -0.06 -0.01 0.95 0.00 0.00 0.00 175.76 176.66 1p9k s THR 12 N 0.64 0.18 0.19 0.00 -4.23 -1.26 -2.31 115.64 108.85 1p9k s THR 12 Ca 0.37 0.02 0.06 0.00 -1.18 0.00 0.00 61.69 60.95 1p9k s THR 12 Cb -0.18 -0.23 -0.04 0.00 1.34 0.00 0.00 72.50 73.40 1p9k s THR 12 CO 0.19 0.11 0.17 0.12 -0.54 0.00 0.00 174.62 174.66 1p9k s PHE 13 N 0.60 3.16 -0.04 3.99 5.36 0.33 -4.95 117.98 126.43 1p9k s PHE 13 Ca -0.06 -0.04 -0.00 0.00 -0.96 0.00 0.00 56.93 55.87 1p9k s PHE 13 Cb -0.09 -1.49 -0.03 0.00 -0.34 0.00 0.00 43.02 41.07 1p9k s PHE 13 CO -0.01 0.52 0.01 -1.12 -1.46 0.00 0.00 175.22 173.15 1p9k s SER 14 N -3.35 5.21 -0.20 6.13 0.01 -1.26 -0.30 113.70 119.94 1p9k s SER 14 Ca 0.32 0.07 0.01 0.00 1.31 0.00 0.00 55.95 57.66 1p9k s SER 14 Cb -0.09 -1.42 -0.13 0.00 0.21 0.00 0.00 66.02 64.59 1p9k s SER 14 CO 0.24 0.32 -0.18 -0.11 0.41 0.00 0.00 173.24 173.92 1p9k n LEU 15 N 1.70 2.89 -0.48 2.44 0.00 0.30 -4.84 117.00 119.02 1p9k n LEU 15 Ca -0.16 -0.08 0.00 0.00 0.00 0.00 0.00 56.01 55.76 1p9k n LEU 15 Cb 0.53 -0.69 0.00 0.00 0.00 0.00 0.00 43.42 43.26 1p9k n LEU 15 CO 0.32 0.81 0.00 0.61 0.00 0.00 0.00 177.39 179.13 1p9k n GLY 16 N 2.49 0.82 3.68 -3.96 0.00 -1.25 -4.36 105.19 102.62 1p9k n GLY 16 Ca -0.36 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.48 -1.41 -4.31 1.61 4.01 -1.26 -5.00 118.16 111.31 1p9k n LYS 17 Ca 0.00 0.47 -0.25 0.00 -0.51 0.00 0.00 58.31 58.02 1p9k n LYS 17 Cb 0.37 -4.21 -0.08 0.00 -0.51 0.00 0.00 35.03 30.60 1p9k n LYS 17 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 1p9k s HIS 18 N -3.49 2.56 0.30 2.13 3.76 -1.26 -5.04 115.29 114.26 1p9k s HIS 18 Ca 0.45 -0.45 0.01 0.00 -0.15 0.00 0.00 55.06 54.92 1p9k s HIS 18 Cb -0.16 -1.53 0.53 0.00 1.11 0.00 0.00 32.58 32.53 1p9k s HIS 18 CO 0.86 0.45 1.92 -1.00 -0.85 0.00 0.00 174.74 176.12 1p9k h PRO 19 N 1.76 0.99 0.00 8.40 0.13 -1.96 -3.47 132.00 137.86 1p9k h PRO 19 Ca -0.43 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1p9k h PRO 19 Cb 1.25 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1p9k h PRO 19 CO 0.67 0.66 0.00 -2.39 -0.23 0.00 0.00 178.00 176.71 1p9k n HIS 20 N -4.48 0.00 -4.03 1.56 1.44 -1.26 -4.75 115.22 103.70 1p9k n HIS 20 Ca 0.13 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.74 1p9k n HIS 20 Cb 0.18 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.21 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 -2.63 0.06 -0.03 0.61 -7.23 -1.24 -4.96 120.40 104.98 1p9k s VAL 21 Ca 0.00 -1.56 -0.11 0.00 -1.81 0.00 0.00 61.98 58.50 1p9k s VAL 21 Cb 0.00 -2.01 -0.05 0.00 0.56 0.00 0.00 36.38 34.88 1p9k s VAL 21 CO 0.00 -0.25 0.31 -1.61 -0.31 0.00 0.00 175.10 173.24 1p9k s GLU 22 N -4.01 3.71 0.54 4.82 2.02 -1.26 -3.92 118.70 120.60 1p9k s GLU 22 Ca 0.22 0.16 0.42 0.00 0.02 0.00 0.00 54.97 55.79 1p9k s GLU 22 Cb 0.04 -3.17 1.62 0.00 0.10 0.00 0.00 34.13 32.72 1p9k s GLU 22 CO 0.03 0.70 1.69 1.37 0.02 0.00 0.00 175.26 179.07 1p9k h LEU 23 N 4.61 0.03 -0.37 1.80 8.10 -1.78 1.01 115.31 128.71 1p9k h LEU 23 Ca -0.52 0.01 -0.15 0.00 0.11 0.00 0.00 57.88 57.33 1p9k h LEU 23 Cb 1.22 0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 41.44 1p9k h LEU 23 CO 0.61 -0.01 -0.34 0.00 -4.11 0.00 0.00 178.44 174.59 1p9k h ASP 25 N 0.69 -0.90 -0.56 0.00 5.19 0.67 0.12 116.42 121.64 1p9k h ASP 25 Ca 0.06 0.03 0.11 0.00 -0.62 0.00 0.00 57.03 56.62 1p9k h ASP 25 Cb 0.93 0.23 -0.10 0.00 0.18 0.00 0.00 39.33 40.57 1p9k h ASP 25 CO 0.09 -0.56 -0.08 0.25 -3.12 0.00 0.00 179.24 175.82 1p9k h LEU 26 N -1.22 -0.40 0.63 1.55 5.85 -1.52 0.16 115.31 120.35 1p9k h LEU 26 Ca -0.11 0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1p9k h LEU 26 Cb 0.81 0.30 0.01 0.00 0.37 0.00 0.00 40.66 42.15 1p9k h LEU 26 CO 0.18 -0.15 -0.30 -0.07 -0.34 0.00 0.00 178.44 177.76 1p9k h LEU 27 N 0.05 -0.71 -0.31 2.25 4.07 -1.44 -1.74 115.31 117.48 1p9k h LEU 27 Ca 0.28 0.02 0.07 0.00 0.08 0.00 0.00 57.88 58.33 1p9k h LEU 27 Cb 0.44 0.18 -0.08 0.00 1.08 0.00 0.00 40.66 42.28 1p9k h LEU 27 CO -0.54 -0.40 -0.37 0.50 -1.08 0.00 0.00 178.44 176.55 1p9k h LYS 28 N -1.05 -0.33 -0.81 1.13 3.64 -0.56 0.13 116.57 118.72 1p9k h LYS 28 Ca -0.09 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.41 1p9k h LYS 28 Cb 0.64 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.47 1p9k h LYS 28 CO 0.14 -0.22 0.47 -0.07 -2.27 0.00 0.00 179.45 177.50 1p9k h LEU 29 N -0.34 0.67 -0.70 5.20 3.38 -0.76 0.30 115.31 123.06 1p9k h LEU 29 Ca 0.13 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1p9k h LEU 29 Cb 0.57 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1p9k h LEU 29 CO -0.49 0.39 0.00 -0.33 0.09 0.00 0.00 178.44 178.10 1p9k h GLU 30 N 0.79 0.00 0.00 1.13 4.39 -0.30 -3.46 114.58 117.13 1p9k h GLU 30 Ca 0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.09 1p9k h GLU 30 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1p9k h GLU 30 CO -0.24 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.02 1p9k n GLY 31 N 0.16 1.32 0.05 -3.84 0.00 0.10 -5.04 105.19 97.93 1p9k n GLY 31 Ca 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.09 -3.24 1.61 4.06 -0.97 -3.46 115.95 113.86 1p9k h TRP 32 Ca 0.00 -0.00 -0.68 0.00 2.06 0.00 0.00 58.89 60.27 1p9k h TRP 32 Cb 0.07 0.03 -0.14 0.00 -1.00 0.00 0.00 29.16 28.12 1p9k h TRP 32 CO 0.00 -0.05 -0.61 0.45 -3.56 0.00 0.00 178.44 174.67 1p9k s SER 33 N -3.73 5.37 0.14 -3.49 0.15 -1.26 -4.98 113.70 105.90 1p9k s SER 33 Ca -0.01 0.18 -0.02 0.00 0.70 0.00 0.00 55.95 56.79 1p9k s SER 33 Cb 0.00 -1.54 -0.06 0.00 -1.71 0.00 0.00 66.02 62.71 1p9k s SER 33 CO 0.04 0.38 1.33 -0.33 1.20 0.00 0.00 173.24 175.87 1p9k h GLU 34 N 5.13 0.36 0.00 5.44 5.08 -1.92 -3.39 114.58 125.27 1p9k h GLU 34 Ca -0.51 -0.38 -0.31 0.00 -1.00 0.00 0.00 59.36 57.16 1p9k h GLU 34 Cb 1.20 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.50 1p9k h GLU 34 CO 0.55 1.06 -2.05 -1.13 -1.00 0.00 0.00 179.01 176.44 1p9k n SER 35 N -3.73 1.59 0.00 1.42 3.41 -1.26 -5.04 113.62 110.01 1p9k n SER 35 Ca -0.06 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1p9k n SER 35 Cb 0.82 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 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 1.98 1.47 0.00 5.00 0.00 -1.26 -4.84 105.19 107.54 1p9k n GLY 36 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.13 1.47 -0.66 4.61 0.00 -1.26 -2.78 120.51 121.76 1p9k n ALA 37 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.21 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 -0.17 0.00 0.00 0.00 -0.06 -1.26 -3.08 117.38 112.81 1p9k n GLN 38 Ca 0.00 0.18 0.00 0.00 -2.00 0.00 0.00 57.00 55.18 1p9k n GLN 38 Cb 0.07 -1.17 0.00 0.00 -4.06 0.00 0.00 30.24 25.08 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 -1.02 2.37 -2.19 1.69 0.00 -1.26 -4.80 120.51 115.30 1p9k n ALA 39 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1p9k n ALA 39 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 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 -0.22 -1.47 0.28 0.00 5.02 -1.18 -4.84 118.16 115.75 1p9k n LYS 40 Ca 0.00 0.98 0.16 0.00 -2.02 0.00 0.00 58.31 57.42 1p9k n LYS 40 Cb 0.11 -5.48 0.92 0.00 -0.02 0.00 0.00 35.03 30.56 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 0.48 0.00 -0.18 2.04 -1.85 -1.05 117.51 116.95 1p9k h ILE 41 Ca -0.44 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1p9k h ILE 41 Cb 1.31 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 1p9k h ILE 41 CO 0.54 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.69 1p9k n ALA 42 N -2.31 -0.06 -0.33 1.87 0.00 -1.12 -1.11 120.51 117.46 1p9k n ALA 42 Ca -0.02 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.65 1p9k n ALA 42 Cb 0.13 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.10 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 0.50 0.28 0.00 1.08 -1.83 -2.04 117.51 115.50 1p9k h ILE 43 Ca 0.00 -0.13 -0.01 0.00 -0.39 0.00 0.00 64.86 64.33 1p9k h ILE 43 Cb 0.00 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 33.85 1p9k h ILE 43 CO 0.00 0.07 -0.13 0.00 -0.69 0.00 0.00 178.15 177.39 1p9k h ALA 44 N 1.62 -1.03 -0.70 1.87 0.00 -1.28 -2.63 119.26 117.11 1p9k h ALA 44 Ca 0.60 -0.08 0.21 0.00 0.00 0.00 0.00 54.91 55.64 1p9k h ALA 44 Cb 1.57 0.14 -0.13 0.00 0.00 0.00 0.00 17.79 19.37 1p9k h ALA 44 CO -0.30 -1.00 0.06 -1.91 0.00 0.00 0.00 179.25 176.10 1p9k n GLU 45 N -3.06 -0.05 0.00 0.00 4.07 -0.26 -0.82 120.64 120.51 1p9k n GLU 45 Ca -0.05 1.03 0.00 0.00 -0.06 0.00 0.00 57.16 58.09 1p9k n GLU 45 Cb 0.15 -1.67 0.00 0.00 -0.06 0.00 0.00 31.44 29.86 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 -1.33 -2.78 0.19 8.31 0.00 -1.07 -2.45 105.19 106.06 1p9k n GLY 46 Ca 0.18 0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.25 1p9k n GLY 46 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1p9k h GLN 47 N 0.00 0.00 0.00 1.61 3.07 -0.74 -3.16 115.11 115.89 1p9k h GLN 47 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1p9k h GLN 47 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1p9k h GLN 47 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 178.83 179.20 1p9k n VAL 48 N -2.00 0.00 -3.64 1.86 0.31 0.00 -4.88 118.33 109.98 1p9k n VAL 48 Ca -0.00 0.10 -0.05 0.00 -0.01 0.00 0.00 64.34 64.37 1p9k n VAL 48 Cb 0.62 -0.35 -0.07 0.00 -0.91 0.00 0.00 33.84 33.14 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 0.35 0.03 5.55 -0.14 -0.99 -4.95 119.74 119.60 1p9k s LYS 49 Ca 0.00 0.47 0.04 0.00 -1.36 0.00 0.00 55.97 55.12 1p9k s LYS 49 Cb 0.00 0.14 -0.02 0.00 -1.68 0.00 0.00 37.83 36.28 1p9k s LYS 49 CO 0.00 -0.05 -0.12 0.08 -0.76 0.00 0.00 175.35 174.50 1p9k s VAL 50 N 0.52 0.93 -0.81 3.17 1.01 0.24 0.23 120.40 125.69 1p9k s VAL 50 Ca 0.00 -0.86 -0.28 0.00 0.00 0.00 0.00 61.98 60.85 1p9k s VAL 50 Cb -0.04 -0.85 -0.27 0.00 0.00 0.00 0.00 36.38 35.22 1p9k s VAL 50 CO -0.11 -0.00 1.97 -0.67 0.00 0.00 0.00 175.10 176.29 1p9k n ASP 51 N 2.07 1.34 0.00 3.32 2.03 0.13 -0.51 116.55 124.93 1p9k n ASP 51 Ca -0.18 -2.51 0.00 0.00 0.52 0.00 0.00 54.79 52.63 1p9k n ASP 51 Cb 0.55 -1.41 0.00 0.00 -0.72 0.00 0.00 41.12 39.55 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 5.80 1.63 2.98 0.27 0.00 -1.26 -4.53 105.19 110.08 1p9k n GLY 52 Ca 0.43 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.90 0.86 -0.18 4.61 0.00 0.33 -5.02 121.76 120.45 1p9k s ALA 53 Ca 0.00 -0.27 0.14 0.00 0.00 0.00 0.00 51.96 51.83 1p9k s ALA 53 Cb 0.00 -0.37 0.43 0.00 0.00 0.00 0.00 23.12 23.18 1p9k s ALA 53 CO 0.00 0.10 1.20 1.55 0.00 0.00 0.00 175.76 178.61 1p9k n VAL 54 N 3.53 1.75 -4.15 0.00 3.14 -1.26 0.81 118.33 122.15 1p9k n VAL 54 Ca -0.20 -2.91 -0.22 0.00 -2.96 0.00 0.00 64.34 58.05 1p9k n VAL 54 Cb 0.53 -0.03 -0.05 0.00 -1.06 0.00 0.00 33.84 33.23 1p9k n VAL 54 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1p9k s GLU 55 N -2.65 2.78 -0.67 1.45 2.02 -1.26 -4.84 118.70 115.52 1p9k s GLU 55 Ca 0.39 -1.15 0.01 0.00 0.02 0.00 0.00 54.97 54.24 1p9k s GLU 55 Cb 0.38 -2.47 0.38 0.00 0.10 0.00 0.00 34.13 32.52 1p9k s GLU 55 CO -0.07 0.38 1.63 -2.37 0.02 0.00 0.00 175.26 174.85 1p9k n THR 56 N -1.12 3.09 -2.15 3.63 5.66 -1.26 -2.56 114.28 119.57 1p9k n THR 56 Ca -0.07 -4.59 -0.27 0.00 -3.05 0.00 0.00 64.05 56.07 1p9k n THR 56 Cb 0.58 -1.26 0.11 0.00 -1.55 0.00 0.00 70.33 68.22 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 -3.85 1.66 0.00 1.09 0.52 -1.26 -4.65 118.95 112.46 1p9k s ARG 57 Ca 0.50 -0.38 0.31 0.00 -0.52 0.00 0.00 55.73 55.64 1p9k s ARG 57 Cb 0.42 -2.08 1.72 0.00 0.52 0.00 0.00 34.95 35.53 1p9k s ARG 57 CO -0.32 -1.64 2.13 1.17 0.02 0.00 0.00 175.30 176.66 1p9k n LYS 58 N -3.19 1.03 -3.46 3.54 4.81 -1.26 -4.68 118.16 114.96 1p9k n LYS 58 Ca 0.11 -0.15 -0.13 0.00 -0.87 0.00 0.00 58.31 57.27 1p9k n LYS 58 Cb 0.60 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 34.13 1p9k n LYS 58 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 1p9k s ARG 59 N -2.07 1.17 -0.13 1.64 1.70 -1.26 -4.47 118.95 115.53 1p9k s ARG 59 Ca 0.44 -0.26 -0.02 0.00 -0.47 0.00 0.00 55.73 55.42 1p9k s ARG 59 Cb 0.22 0.54 0.04 0.00 -0.57 0.00 0.00 34.95 35.18 1p9k s ARG 59 CO 0.38 -0.48 0.02 0.00 -1.08 0.00 0.00 175.30 174.14 1p9k s LYS 61 N 1.91 3.09 0.00 0.00 1.02 -1.26 -4.30 119.74 120.20 1p9k s LYS 61 Ca 0.02 -0.39 0.02 0.00 0.02 0.00 0.00 55.97 55.64 1p9k s LYS 61 Cb -0.15 -4.79 -0.01 0.00 -0.52 0.00 0.00 37.83 32.37 1p9k s LYS 61 CO -0.07 -2.53 -0.06 0.42 -0.92 0.00 0.00 175.35 172.19 1p9k s ILE 62 N 7.01 0.49 0.29 2.17 1.01 -1.26 -4.98 121.20 125.93 1p9k s ILE 62 Ca 0.52 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.81 1p9k s ILE 62 Cb -0.06 -0.43 -0.02 0.00 0.01 0.00 0.00 42.46 41.96 1p9k s ILE 62 CO 0.04 0.08 0.33 0.68 0.00 0.00 0.00 174.94 176.07 1p9k s VAL 63 N -0.28 0.00 0.00 2.92 -7.23 -1.26 -3.63 120.40 110.92 1p9k s VAL 63 Ca 0.01 -1.79 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 1p9k s VAL 63 Cb -0.03 -2.50 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 -0.47 0.00 -2.78 1.32 0.00 -1.26 -4.19 120.51 113.13 1p9k n ALA 64 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.03 1p9k n ALA 64 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 3.28 3.42 0.00 0.00 -1.20 -2.71 105.19 107.97 1p9k n GLY 65 Ca 0.00 -1.86 -0.23 0.00 0.00 0.00 0.00 46.02 43.93 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 2.25 1.53 0.23 1.61 -1.52 -0.54 -4.89 119.66 118.33 1p9k s GLN 66 Ca 0.46 -1.66 0.10 0.00 -1.95 0.00 0.00 55.36 52.30 1p9k s GLN 66 Cb 0.00 -1.57 -0.04 0.00 -0.22 0.00 0.00 33.01 31.18 1p9k s GLN 66 CO 0.02 0.29 -0.07 0.99 -0.25 0.00 0.00 175.29 176.28 1p9k s THR 67 N -2.50 3.21 0.04 -0.19 2.01 -1.26 0.10 115.64 117.05 1p9k s THR 67 Ca 0.26 -1.87 0.03 0.00 0.31 0.00 0.00 61.69 60.42 1p9k s THR 67 Cb -0.04 -2.66 -0.02 0.00 0.01 0.00 0.00 72.50 69.79 1p9k s THR 67 CO 0.12 -0.27 -0.10 -0.69 -0.69 0.00 0.00 174.62 172.99 1p9k s VAL 68 N -2.09 0.72 -0.02 3.82 1.01 0.21 0.21 120.40 124.26 1p9k s VAL 68 Ca 0.28 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1p9k s VAL 68 Cb -0.07 -0.72 0.02 0.00 0.00 0.00 0.00 36.38 35.61 1p9k s VAL 68 CO 0.17 -0.20 -0.01 -0.44 0.00 0.00 0.00 175.10 174.63 1p9k s SER 69 N -1.28 0.40 -0.07 3.32 0.01 0.14 -1.14 113.70 115.08 1p9k s SER 69 Ca -0.04 -0.03 -0.02 0.00 1.31 0.00 0.00 55.95 57.16 1p9k s SER 69 Cb -0.08 -0.18 0.04 0.00 0.21 0.00 0.00 66.02 66.00 1p9k s SER 69 CO 0.01 -0.07 0.06 0.12 0.41 0.00 0.00 173.24 173.77 1p9k s PHE 70 N 0.77 0.18 -0.00 2.43 5.36 -0.84 -2.34 117.98 123.54 1p9k s PHE 70 Ca -0.08 0.07 -0.00 0.00 -0.96 0.00 0.00 56.93 55.97 1p9k s PHE 70 Cb -0.11 -0.57 0.00 0.00 -0.34 0.00 0.00 43.02 42.00 1p9k s PHE 70 CO -0.01 -0.28 0.00 0.00 -1.46 0.00 0.00 175.22 173.47 1p9k n ALA 71 N 5.27 -0.90 0.00 11.12 0.00 -1.26 0.14 120.51 134.88 1p9k n ALA 71 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1p9k n ALA 71 Cb 0.50 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.45 1.19 3.47 0.00 0.00 -1.26 -5.06 105.19 103.08 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 -2.00 3.03 -0.51 1.61 3.76 0.37 -4.97 115.29 116.58 1p9k s HIS 73 Ca 0.00 -1.31 -0.15 0.00 -0.15 0.00 0.00 55.06 53.44 1p9k s HIS 73 Cb 0.00 -4.35 0.11 0.00 1.11 0.00 0.00 32.58 29.44 1p9k s HIS 73 CO 0.00 -1.56 0.45 -1.12 -0.85 0.00 0.00 174.74 171.65 1p9k s SER 74 N 3.85 6.13 0.13 1.40 0.01 -1.25 -1.98 113.70 121.98 1p9k s SER 74 Ca 0.35 -1.62 0.07 0.00 1.31 0.00 0.00 55.95 56.06 1p9k s SER 74 Cb -0.04 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 63.97 1p9k s SER 74 CO -0.09 -0.76 -0.17 -0.69 0.41 0.00 0.00 173.24 171.93 1p9k s VAL 75 N 1.60 1.55 0.34 3.43 1.01 -0.29 -4.76 120.40 123.28 1p9k s VAL 75 Ca 0.04 -1.72 0.08 0.00 0.00 0.00 0.00 61.98 60.38 1p9k s VAL 75 Cb -0.28 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 1p9k s VAL 75 CO 0.04 -0.30 0.10 -1.58 0.00 0.00 0.00 175.10 173.36 1p9k s GLN 76 N -2.50 2.28 0.05 2.72 0.74 -0.98 0.64 119.66 122.62 1p9k s GLN 76 Ca 0.10 -1.61 0.01 0.00 0.05 0.00 0.00 55.36 53.91 1p9k s GLN 76 Cb -0.07 -2.10 -0.03 0.00 1.10 0.00 0.00 33.01 31.91 1p9k s GLN 76 CO 0.04 0.12 -0.05 0.08 -0.55 0.00 0.00 175.29 174.93 1p9k s VAL 77 N -2.45 0.37 0.17 1.34 1.01 0.29 0.12 120.40 121.25 1p9k s VAL 77 Ca 0.37 -1.42 0.04 0.00 0.00 0.00 0.00 61.98 60.97 1p9k s VAL 77 Cb -0.02 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 1p9k s VAL 77 CO 0.22 -0.69 -0.07 0.68 0.00 0.00 0.00 175.10 175.24 1p9k s VAL 78 N -2.57 1.10 0.00 2.92 -7.23 0.59 -1.47 120.40 113.74 1p9k s VAL 78 Ca -0.02 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.10 1p9k s VAL 78 Cb -0.02 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 34.95 1p9k s VAL 78 CO -0.04 -0.64 0.00 0.00 -0.31 0.00 0.00 175.10 174.11