#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 -7.99 0.00 1.61 2.88 -1.26 -4.94 113.62 103.92 1p9k n SER 2 Ca 0.00 0.71 0.00 0.00 -1.33 0.00 0.00 58.87 58.25 1p9k n SER 2 Cb 0.00 -4.25 0.00 0.00 -0.75 0.00 0.00 64.21 59.21 1p9k n SER 2 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1p9k n MET 3 N -4.03 0.04 -2.72 -1.46 0.00 -1.26 -4.98 117.12 102.70 1p9k n MET 3 Ca -0.01 0.00 -0.43 0.00 -0.00 0.00 0.00 57.70 57.26 1p9k n MET 3 Cb 0.66 -0.54 -0.02 0.00 0.00 0.00 0.00 33.22 33.32 1p9k n MET 3 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 175.97 176.93 1p9k s ILE 4 N -1.09 4.35 -0.21 1.12 -4.36 -1.26 -4.91 121.20 114.83 1p9k s ILE 4 Ca 0.00 -1.50 -0.14 0.00 -0.26 0.00 0.00 60.65 58.75 1p9k s ILE 4 Cb 0.00 -4.99 0.06 0.00 1.25 0.00 0.00 42.46 38.78 1p9k s ILE 4 CO 0.00 -1.79 0.54 -1.00 0.24 0.00 0.00 174.94 172.92 1p9k s HIS 5 N 3.70 -0.74 -1.32 1.37 3.76 -1.26 -4.90 115.29 115.89 1p9k s HIS 5 Ca 0.44 1.59 -0.02 0.00 -0.15 0.00 0.00 55.06 56.92 1p9k s HIS 5 Cb -0.01 0.35 0.00 0.00 1.11 0.00 0.00 32.58 34.04 1p9k s HIS 5 CO -0.05 -0.38 0.24 0.54 -0.85 0.00 0.00 174.74 174.24 1p9k n ARG 6 N 3.79 -2.59 -3.77 1.40 5.12 -1.26 -5.00 116.66 114.35 1p9k n ARG 6 Ca -0.19 0.76 -0.13 0.00 -1.93 0.00 0.00 57.85 56.36 1p9k n ARG 6 Cb 0.57 -5.20 -0.11 0.00 -1.16 0.00 0.00 32.46 26.55 1p9k n ARG 6 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1p9k s MET 7 N -5.13 0.37 0.00 5.56 1.75 -1.26 -5.05 119.30 115.54 1p9k s MET 7 Ca 0.12 0.38 0.00 0.00 -1.25 0.00 0.00 55.69 54.94 1p9k s MET 7 Cb -0.05 0.18 0.00 0.00 2.84 0.00 0.00 34.83 37.80 1p9k s MET 7 CO 0.15 -0.05 0.00 0.45 -0.65 0.00 0.00 175.02 174.92 1p9k n SER 8 N 2.81 0.29 -3.64 1.11 2.88 -1.26 -5.08 113.62 110.72 1p9k n SER 8 Ca -0.13 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.39 1p9k n SER 8 Cb 0.58 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.01 1p9k n SER 8 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1p9k s ASN 9 N -4.60 -0.02 -0.02 -3.46 2.47 -1.26 -5.14 114.94 102.91 1p9k s ASN 9 Ca 0.00 0.02 -0.30 0.00 0.42 0.00 0.00 52.86 53.00 1p9k s ASN 9 Cb 0.00 0.02 -0.03 0.00 -1.45 0.00 0.00 41.25 39.79 1p9k s ASN 9 CO 0.00 -0.03 1.09 -0.32 -3.72 0.00 0.00 177.10 174.12 1p9k s MET 10 N -1.43 4.45 -0.80 0.43 1.75 -1.26 -4.97 119.30 117.47 1p9k s MET 10 Ca 0.10 1.55 -0.26 0.00 -1.25 0.00 0.00 55.69 55.83 1p9k s MET 10 Cb -0.01 -3.48 0.03 0.00 2.84 0.00 0.00 34.83 34.21 1p9k s MET 10 CO -0.06 -0.25 1.36 0.00 -0.65 0.00 0.00 175.02 175.42 1p9k s ALA 11 N 1.54 2.69 -0.12 4.11 0.00 -1.26 -4.96 121.76 123.75 1p9k s ALA 11 Ca 0.54 -1.52 -0.00 0.00 0.00 0.00 0.00 51.96 50.97 1p9k s ALA 11 Cb -0.23 -4.33 0.03 0.00 0.00 0.00 0.00 23.12 18.59 1p9k s ALA 11 CO 0.25 -3.43 -0.07 0.95 0.00 0.00 0.00 175.76 173.46 1p9k s THR 12 N 5.86 1.03 0.08 0.00 -4.23 -1.25 -1.10 115.64 116.03 1p9k s THR 12 Ca 0.40 -0.35 -0.01 0.00 -1.18 0.00 0.00 61.69 60.55 1p9k s THR 12 Cb -0.07 -1.08 -0.04 0.00 1.34 0.00 0.00 72.50 72.65 1p9k s THR 12 CO 0.10 0.32 0.26 0.12 -0.54 0.00 0.00 174.62 174.87 1p9k s PHE 13 N 1.70 3.51 0.04 3.99 5.36 0.29 -4.94 117.98 127.92 1p9k s PHE 13 Ca 0.04 0.34 0.02 0.00 -0.96 0.00 0.00 56.93 56.37 1p9k s PHE 13 Cb -0.13 -1.83 -0.04 0.00 -0.34 0.00 0.00 43.02 40.68 1p9k s PHE 13 CO -0.08 0.55 0.07 -1.12 -1.46 0.00 0.00 175.22 173.17 1p9k s SER 14 N -2.47 5.54 0.00 6.13 0.01 -1.26 0.67 113.70 122.31 1p9k s SER 14 Ca 0.37 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.68 1p9k s SER 14 Cb -0.13 -1.52 0.00 0.00 0.21 0.00 0.00 66.02 64.58 1p9k s SER 14 CO 0.27 0.22 0.00 0.18 0.41 0.00 0.00 173.24 174.32 1p9k n LEU 15 N 0.84 1.18 0.00 2.44 4.77 -0.01 -4.88 117.00 121.35 1p9k n LEU 15 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1p9k n LEU 15 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1p9k n LEU 15 CO 0.41 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1p9k n GLY 16 N 2.50 1.60 2.54 -0.72 0.00 -1.26 -3.97 105.19 105.88 1p9k n GLY 16 Ca 0.00 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 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 1.60 1.47 -4.04 1.61 4.81 -1.26 -4.68 118.16 117.66 1p9k n LYS 17 Ca 0.00 -3.50 -0.26 0.00 -0.87 0.00 0.00 58.31 53.68 1p9k n LYS 17 Cb 0.00 -1.52 -0.05 0.00 0.02 0.00 0.00 35.03 33.49 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 -3.02 3.25 0.25 5.64 3.76 -1.25 -5.02 115.29 118.89 1p9k s HIS 18 Ca 0.34 0.01 -0.04 0.00 -0.15 0.00 0.00 55.06 55.22 1p9k s HIS 18 Cb 0.42 -1.55 0.48 0.00 1.11 0.00 0.00 32.58 33.05 1p9k s HIS 18 CO -0.02 0.52 1.71 -1.00 -0.85 0.00 0.00 174.74 175.10 1p9k h PRO 19 N 2.20 0.38 0.00 8.40 0.13 -1.96 -3.48 132.00 137.66 1p9k h PRO 19 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1p9k h PRO 19 Cb 1.20 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1p9k h PRO 19 CO 0.64 0.25 0.00 -2.39 -0.23 0.00 0.00 178.00 176.28 1p9k n HIS 20 N -5.05 0.00 -3.94 1.56 1.44 -1.26 -4.71 115.22 103.26 1p9k n HIS 20 Ca 0.15 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.77 1p9k n HIS 20 Cb 0.45 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.47 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 0.14 0.13 0.61 -7.23 -1.21 -4.99 120.40 104.86 1p9k s VAL 21 Ca 0.00 -1.18 -0.21 0.00 -1.81 0.00 0.00 61.98 58.78 1p9k s VAL 21 Cb 0.00 -1.00 -0.07 0.00 0.56 0.00 0.00 36.38 35.86 1p9k s VAL 21 CO 0.00 -0.65 0.66 -1.61 -0.31 0.00 0.00 175.10 173.19 1p9k s GLU 22 N -2.88 4.32 0.40 4.82 2.02 -1.26 -3.23 118.70 122.88 1p9k s GLU 22 Ca -0.03 0.88 0.25 0.00 0.02 0.00 0.00 54.97 56.09 1p9k s GLU 22 Cb 0.00 -3.17 1.37 0.00 0.10 0.00 0.00 34.13 32.44 1p9k s GLU 22 CO -0.06 0.57 1.60 1.37 0.02 0.00 0.00 175.26 178.75 1p9k h LEU 23 N 4.21 0.30 -0.45 1.80 8.10 -1.86 1.28 115.31 128.69 1p9k h LEU 23 Ca -0.48 0.21 -0.15 0.00 0.11 0.00 0.00 57.88 57.56 1p9k h LEU 23 Cb 1.21 0.20 -0.01 0.00 -0.44 0.00 0.00 40.66 41.62 1p9k h LEU 23 CO 0.65 -0.32 -0.35 0.00 -4.11 0.00 0.00 178.44 174.31 1p9k h ASP 25 N 0.76 -1.01 -0.64 0.00 3.32 0.12 0.11 116.42 119.08 1p9k h ASP 25 Ca 0.07 0.03 0.13 0.00 0.02 0.00 0.00 57.03 57.28 1p9k h ASP 25 Cb 0.93 0.26 -0.10 0.00 0.22 0.00 0.00 39.33 40.64 1p9k h ASP 25 CO 0.09 -0.70 0.10 0.25 -1.72 0.00 0.00 179.24 177.26 1p9k h LEU 26 N -1.25 -0.09 0.63 1.55 5.85 -1.36 0.92 115.31 121.56 1p9k h LEU 26 Ca -0.12 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1p9k h LEU 26 Cb 0.92 0.20 0.01 0.00 0.37 0.00 0.00 40.66 42.16 1p9k h LEU 26 CO 0.20 -0.05 -0.30 -0.07 -0.34 0.00 0.00 178.44 177.88 1p9k h LEU 27 N 0.21 -0.71 -0.15 2.25 4.07 -1.39 -1.94 115.31 117.66 1p9k h LEU 27 Ca 0.34 0.02 0.05 0.00 0.08 0.00 0.00 57.88 58.38 1p9k h LEU 27 Cb 0.55 0.18 -0.07 0.00 1.08 0.00 0.00 40.66 42.41 1p9k h LEU 27 CO -0.47 -0.36 -0.34 0.50 -1.08 0.00 0.00 178.44 176.68 1p9k h LYS 28 N -1.14 -0.39 -0.83 1.13 3.64 -0.60 0.34 116.57 118.72 1p9k h LYS 28 Ca -0.09 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.42 1p9k h LYS 28 Cb 0.65 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.48 1p9k h LYS 28 CO 0.14 -0.26 0.47 1.25 -2.27 0.00 0.00 179.45 178.78 1p9k h LEU 29 N -0.41 0.66 -0.32 5.20 7.12 -0.92 0.22 115.31 126.86 1p9k h LEU 29 Ca 0.10 0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.16 1p9k h LEU 29 Cb 0.57 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.62 1p9k h LEU 29 CO -0.38 0.36 0.00 -0.62 -0.13 0.00 0.00 178.44 177.68 1p9k n GLU 30 N -4.76 0.18 -0.29 1.25 -0.58 -0.71 -4.89 120.64 110.83 1p9k n GLU 30 Ca 0.14 0.30 0.00 0.00 -0.42 0.00 0.00 57.16 57.18 1p9k n GLU 30 Cb 0.30 -1.78 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 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 0.59 1.25 0.12 0.62 0.00 0.07 -5.03 105.19 102.81 1p9k n GLY 31 Ca 0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.22 -3.30 1.61 4.06 -0.60 -3.46 115.95 114.05 1p9k h TRP 32 Ca 0.00 -0.01 -0.67 0.00 2.06 0.00 0.00 58.89 60.28 1p9k h TRP 32 Cb 0.09 0.07 -0.14 0.00 -1.00 0.00 0.00 29.16 28.19 1p9k h TRP 32 CO 0.00 -0.14 -0.62 0.45 -3.56 0.00 0.00 178.44 174.57 1p9k s SER 33 N -4.31 5.27 0.11 -3.49 0.15 -1.26 -4.98 113.70 105.18 1p9k s SER 33 Ca -0.04 0.08 -0.02 0.00 0.70 0.00 0.00 55.95 56.67 1p9k s SER 33 Cb 0.00 -1.44 -0.16 0.00 -1.71 0.00 0.00 66.02 62.71 1p9k s SER 33 CO 0.11 0.32 1.25 -0.08 1.20 0.00 0.00 173.24 176.03 1p9k h GLU 34 N 4.63 0.28 0.00 5.44 4.57 -1.93 -3.38 114.58 124.18 1p9k h GLU 34 Ca -0.50 -0.38 -0.28 0.00 -1.18 0.00 0.00 59.36 57.02 1p9k h GLU 34 Cb 1.18 0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 29.85 1p9k h GLU 34 CO 0.57 1.12 -2.04 -1.13 -1.18 0.00 0.00 179.01 176.35 1p9k n SER 35 N -3.61 2.38 0.00 1.04 3.41 -1.26 -5.04 113.62 110.54 1p9k n SER 35 Ca -0.06 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 1p9k n SER 35 Cb 0.92 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 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 2.49 1.78 0.00 5.00 0.00 -1.26 -4.82 105.19 108.39 1p9k n GLY 36 Ca -0.33 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 1.49 -0.46 4.61 0.00 -1.26 -3.05 120.51 121.84 1p9k n ALA 37 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.75 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 -0.22 0.00 0.00 0.00 -0.06 -1.26 -3.11 117.38 112.73 1p9k n GLN 38 Ca 0.00 0.27 0.00 0.00 -2.00 0.00 0.00 57.00 55.27 1p9k n GLN 38 Cb 0.33 -1.26 0.00 0.00 -4.06 0.00 0.00 30.24 25.25 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 -1.31 2.48 -2.10 1.69 0.00 -1.26 -4.81 120.51 115.20 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 -0.02 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 -0.24 -1.25 0.22 0.00 4.76 -1.18 -4.85 118.16 115.62 1p9k n LYS 40 Ca 0.00 0.85 0.15 0.00 -2.87 0.00 0.00 58.31 56.45 1p9k n LYS 40 Cb 0.13 -5.20 0.77 0.00 -1.84 0.00 0.00 35.03 28.89 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 0.00 0.00 -0.18 5.03 -1.85 -2.27 117.51 118.25 1p9k h ILE 41 Ca -0.37 -0.09 0.00 0.00 -0.12 0.00 0.00 64.86 64.28 1p9k h ILE 41 Cb 1.23 0.82 0.00 0.00 -3.03 0.00 0.00 36.82 35.84 1p9k h ILE 41 CO 0.46 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 177.93 1p9k n ALA 42 N -1.90 0.00 -0.23 1.87 0.00 -1.17 -1.84 120.51 117.24 1p9k n ALA 42 Ca -0.01 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.63 1p9k n ALA 42 Cb 0.10 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.09 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 0.67 0.00 0.00 1.08 -1.89 -2.78 117.51 114.59 1p9k h ILE 43 Ca 0.00 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1p9k h ILE 43 Cb 0.00 0.28 0.00 0.00 -3.07 0.00 0.00 36.82 34.03 1p9k h ILE 43 CO 0.00 0.06 0.00 0.00 -0.69 0.00 0.00 178.15 177.52 1p9k n ALA 44 N -2.54 -0.36 -0.24 1.87 0.00 -0.85 -2.20 120.51 116.19 1p9k n ALA 44 Ca 0.19 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.85 1p9k n ALA 44 Cb 0.72 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.57 1p9k n ALA 44 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1p9k n GLU 45 N -1.65 -0.05 0.00 0.00 0.00 -0.76 -0.93 120.64 117.25 1p9k n GLU 45 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 57.16 58.22 1p9k n GLU 45 Cb 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 31.44 29.58 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 -1.23 -2.52 0.00 8.31 0.00 -1.07 -2.60 105.19 106.08 1p9k n GLY 46 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.38 0.00 0.00 1.61 10.64 -0.10 -3.33 117.38 124.83 1p9k n GLN 47 Ca 0.00 0.20 0.00 0.00 -1.83 0.00 0.00 57.00 55.37 1p9k n GLN 47 Cb 0.00 -1.77 0.00 0.00 -0.86 0.00 0.00 30.24 27.61 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 -1.18 0.00 -3.42 -0.39 0.31 -0.47 -4.86 118.33 108.33 1p9k n VAL 48 Ca 0.00 0.14 0.01 0.00 -0.01 0.00 0.00 64.34 64.49 1p9k n VAL 48 Cb 0.27 -0.41 -0.04 0.00 -0.91 0.00 0.00 33.84 32.75 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 -0.02 0.29 0.07 5.55 -0.14 -1.01 -4.88 119.74 119.60 1p9k s LYS 49 Ca 0.00 0.70 0.07 0.00 -1.36 0.00 0.00 55.97 55.37 1p9k s LYS 49 Cb 0.00 0.39 -0.04 0.00 -1.68 0.00 0.00 37.83 36.51 1p9k s LYS 49 CO 0.00 -0.09 -0.14 0.08 -0.76 0.00 0.00 175.35 174.44 1p9k s VAL 50 N 2.33 3.12 -0.88 3.17 1.01 -0.83 -0.68 120.40 127.63 1p9k s VAL 50 Ca -0.03 -1.21 -0.28 0.00 0.00 0.00 0.00 61.98 60.47 1p9k s VAL 50 Cb -0.06 -2.39 -0.20 0.00 0.00 0.00 0.00 36.38 33.73 1p9k s VAL 50 CO -0.17 0.23 2.58 -0.67 0.00 0.00 0.00 175.10 177.06 1p9k n ASP 51 N 1.13 0.60 -0.44 3.32 -0.08 0.14 0.16 116.55 121.39 1p9k n ASP 51 Ca -0.15 -0.10 -0.06 0.00 -1.51 0.00 0.00 54.79 52.97 1p9k n ASP 51 Cb 0.52 -1.05 -0.02 0.00 2.34 0.00 0.00 41.12 42.91 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 6.31 0.77 2.47 0.27 0.00 -1.26 -4.76 105.19 108.99 1p9k n GLY 52 Ca 0.59 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 46.08 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 1.11 1.43 -1.97 4.61 0.00 0.43 -5.02 120.51 121.10 1p9k n ALA 53 Ca -0.06 -2.55 -0.40 0.00 0.00 0.00 0.00 53.44 50.42 1p9k n ALA 53 Cb 0.29 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.77 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 2.60 4.90 -2.98 0.00 3.14 -1.25 -1.96 118.33 122.77 1p9k n VAL 54 Ca 0.25 -4.10 -0.02 0.00 -2.96 0.00 0.00 64.34 57.52 1p9k n VAL 54 Cb 0.51 -2.21 0.01 0.00 -1.06 0.00 0.00 33.84 31.09 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 2.50 0.96 -2.26 1.45 -0.58 -1.26 -4.92 120.64 116.53 1p9k n GLU 55 Ca 0.59 -0.25 -0.01 0.00 -0.42 0.00 0.00 57.16 57.07 1p9k n GLU 55 Cb 0.27 -0.02 0.05 0.00 -0.57 0.00 0.00 31.44 31.18 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 -1.11 0.40 -1.96 2.62 5.66 -1.26 -1.04 114.28 117.58 1p9k n THR 56 Ca 0.01 -1.42 -0.29 0.00 -3.05 0.00 0.00 64.05 59.30 1p9k n THR 56 Cb 0.05 1.01 0.08 0.00 -1.55 0.00 0.00 70.33 69.91 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 -1.14 2.20 0.00 1.09 0.52 -1.26 -4.71 118.95 115.65 1p9k s ARG 57 Ca 0.17 0.11 -0.20 0.00 -0.52 0.00 0.00 55.73 55.29 1p9k s ARG 57 Cb 0.32 -2.01 -0.22 0.00 0.52 0.00 0.00 34.95 33.56 1p9k s ARG 57 CO -0.09 -1.41 1.12 -0.22 0.02 0.00 0.00 175.30 174.73 1p9k h LYS 58 N -0.88 0.38 -6.10 3.54 3.11 -1.98 -3.46 116.57 111.19 1p9k h LYS 58 Ca -0.46 -0.37 -0.63 0.00 -2.81 0.00 0.00 60.65 56.39 1p9k h LYS 58 Cb 1.31 0.10 -0.07 0.00 -1.00 0.00 0.00 32.23 32.57 1p9k h LYS 58 CO 0.65 1.04 -0.56 1.03 -2.81 0.00 0.00 179.45 178.79 1p9k s ARG 59 N -3.33 3.07 -0.21 1.90 0.52 -1.26 -4.05 118.95 115.58 1p9k s ARG 59 Ca -0.14 -0.62 -0.01 0.00 -0.52 0.00 0.00 55.73 54.45 1p9k s ARG 59 Cb 0.03 -2.83 0.02 0.00 0.52 0.00 0.00 34.95 32.70 1p9k s ARG 59 CO 0.80 0.57 -0.12 0.00 0.02 0.00 0.00 175.30 176.57 1p9k n LYS 61 N 4.66 4.07 -4.09 0.00 5.02 -1.26 -3.35 118.16 123.22 1p9k n LYS 61 Ca -0.19 -4.19 -0.14 0.00 -2.02 0.00 0.00 58.31 51.78 1p9k n LYS 61 Cb 0.49 -2.67 -0.12 0.00 -0.02 0.00 0.00 35.03 32.70 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 -1.43 0.50 0.32 -0.18 1.01 -1.26 -5.02 121.20 115.13 1p9k s ILE 62 Ca 0.34 -0.85 -0.10 0.00 0.00 0.00 0.00 60.65 60.04 1p9k s ILE 62 Cb 0.05 -0.54 0.01 0.00 0.01 0.00 0.00 42.46 41.99 1p9k s ILE 62 CO 0.05 -0.25 0.56 0.68 0.00 0.00 0.00 174.94 175.97 1p9k s VAL 63 N -1.05 0.00 0.00 2.92 -7.23 -1.26 -3.67 120.40 110.11 1p9k s VAL 63 Ca -0.07 -1.37 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 1p9k s VAL 63 Cb -0.08 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.35 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 -2.64 1.32 0.00 -1.26 -4.41 120.51 113.03 1p9k n ALA 64 Ca -0.02 0.00 -0.43 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 20.06 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 3.27 3.40 0.00 0.00 -1.24 -3.24 105.19 107.39 1p9k n GLY 65 Ca 0.00 -1.77 -0.25 0.00 0.00 0.00 0.00 46.02 44.01 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 2.67 1.47 0.16 1.61 -1.52 -0.23 -4.92 119.66 118.90 1p9k s GLN 66 Ca 0.47 -1.53 0.10 0.00 -1.95 0.00 0.00 55.36 52.45 1p9k s GLN 66 Cb 0.02 -1.66 -0.04 0.00 -0.22 0.00 0.00 33.01 31.11 1p9k s GLN 66 CO 0.03 0.34 -0.17 0.99 -0.25 0.00 0.00 175.29 176.23 1p9k s THR 67 N -1.95 2.81 0.04 -0.19 2.01 -1.26 0.11 115.64 117.21 1p9k s THR 67 Ca 0.21 -1.73 0.06 0.00 0.31 0.00 0.00 61.69 60.54 1p9k s THR 67 Cb -0.07 -2.35 -0.02 0.00 0.01 0.00 0.00 72.50 70.08 1p9k s THR 67 CO 0.10 -0.04 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.13 1p9k s VAL 68 N -1.51 1.34 -0.05 3.82 1.01 0.82 0.24 120.40 126.07 1p9k s VAL 68 Ca 0.21 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 1p9k s VAL 68 Cb -0.09 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.12 1p9k s VAL 68 CO 0.12 0.08 0.12 -0.44 0.00 0.00 0.00 175.10 174.97 1p9k s SER 69 N -1.18 -0.10 -0.14 3.32 0.01 0.14 -1.60 113.70 114.14 1p9k s SER 69 Ca 0.04 0.24 -0.06 0.00 1.31 0.00 0.00 55.95 57.48 1p9k s SER 69 Cb -0.08 0.19 0.06 0.00 0.21 0.00 0.00 66.02 66.41 1p9k s SER 69 CO 0.02 -0.08 0.31 0.12 0.41 0.00 0.00 173.24 174.01 1p9k s PHE 70 N 0.52 -0.50 0.00 2.43 5.36 -0.43 -2.40 117.98 122.96 1p9k s PHE 70 Ca -0.04 1.08 0.00 0.00 -0.96 0.00 0.00 56.93 57.01 1p9k s PHE 70 Cb -0.05 0.09 0.00 0.00 -0.34 0.00 0.00 43.02 42.72 1p9k s PHE 70 CO -0.02 -0.35 0.00 0.00 -1.46 0.00 0.00 175.22 173.39 1p9k n ALA 71 N 4.91 0.00 -0.34 11.12 0.00 -1.26 0.49 120.51 135.43 1p9k n ALA 71 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1p9k n ALA 71 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 0.15 3.49 0.00 0.00 -1.26 -5.01 105.19 102.56 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 -0.16 3.05 -0.32 1.61 3.76 0.18 -5.01 115.29 118.40 1p9k s HIS 73 Ca 0.00 -0.23 0.04 0.00 -0.15 0.00 0.00 55.06 54.72 1p9k s HIS 73 Cb 0.00 -3.41 0.09 0.00 1.11 0.00 0.00 32.58 30.37 1p9k s HIS 73 CO 0.00 -0.94 0.01 -1.12 -0.85 0.00 0.00 174.74 171.84 1p9k s SER 74 N 2.24 4.69 0.12 1.40 0.01 -1.26 -1.32 113.70 119.59 1p9k s SER 74 Ca 0.20 -1.96 0.08 0.00 1.31 0.00 0.00 55.95 55.59 1p9k s SER 74 Cb -0.16 -1.61 -0.04 0.00 0.21 0.00 0.00 66.02 64.42 1p9k s SER 74 CO 0.16 -0.33 -0.20 -0.69 0.41 0.00 0.00 173.24 172.59 1p9k s VAL 75 N 0.96 1.74 0.28 3.43 1.01 -0.63 -4.83 120.40 122.35 1p9k s VAL 75 Ca 0.06 -1.68 0.09 0.00 0.00 0.00 0.00 61.98 60.45 1p9k s VAL 75 Cb -0.19 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1p9k s VAL 75 CO -0.07 -0.16 0.01 -1.10 0.00 0.00 0.00 175.10 173.78 1p9k s GLN 76 N -2.24 2.30 0.06 2.72 -0.21 -0.26 -0.13 119.66 121.90 1p9k s GLN 76 Ca 0.10 -1.44 0.05 0.00 0.02 0.00 0.00 55.36 54.08 1p9k s GLN 76 Cb -0.08 -2.16 -0.03 0.00 1.00 0.00 0.00 33.01 31.74 1p9k s GLN 76 CO 0.05 0.33 -0.13 0.08 -2.12 0.00 0.00 175.29 173.50 1p9k s VAL 77 N -2.34 1.03 0.22 1.09 1.01 0.31 0.11 120.40 121.83 1p9k s VAL 77 Ca 0.32 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1p9k s VAL 77 Cb -0.06 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1p9k s VAL 77 CO 0.20 -0.18 0.16 0.68 0.00 0.00 0.00 175.10 175.96 1p9k s VAL 78 N -1.15 0.00 -2.00 2.92 -7.23 0.21 -1.06 120.40 112.09 1p9k s VAL 78 Ca -0.02 -2.00 0.25 0.00 -1.81 0.00 0.00 61.98 58.40 1p9k s VAL 78 Cb -0.09 -2.50 0.70 0.00 0.56 0.00 0.00 36.38 35.05 1p9k s VAL 78 CO 0.02 0.00 1.84 0.00 -0.31 0.00 0.00 175.10 176.64