#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knn n LEU 5 N 0.00 -4.51 -0.69 -3.43 -0.00 -1.26 -5.01 117.00 102.10 3knn n LEU 5 Ca 0.00 1.68 0.02 0.00 -0.00 0.00 0.00 56.01 57.71 3knn n LEU 5 Cb 0.00 -2.25 0.03 0.00 -0.00 0.00 0.00 43.42 41.21 3knn n LEU 5 CO 0.00 -1.43 0.25 2.29 -0.00 0.00 0.00 177.39 178.50 3knn n LYS 6 N 1.04 0.23 -2.71 1.96 0.00 -1.26 -4.82 118.16 112.60 3knn n LYS 6 Ca 0.00 -1.53 -0.06 0.00 -0.00 0.00 0.00 58.31 56.72 3knn n LYS 6 Cb 0.00 -0.55 0.06 0.00 -0.00 0.00 0.00 35.03 34.54 3knn n LYS 6 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3knn n LYS 7 N -0.11 1.30 0.00 -1.58 4.01 -1.26 -5.11 118.16 115.42 3knn n LYS 7 Ca 0.04 -2.89 0.00 0.00 -0.51 0.00 0.00 58.31 54.95 3knn n LYS 7 Cb 0.80 -0.98 0.00 0.00 -0.51 0.00 0.00 35.03 34.34 3knn n LYS 7 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3knn n GLY 8 N -0.40 2.93 0.81 0.72 0.00 -1.26 -4.97 105.19 103.02 3knn n GLY 8 Ca 0.04 -0.98 0.09 0.00 0.00 0.00 0.00 46.02 45.16 3knn n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knn n VAL 9 N -1.06 0.43 0.00 1.61 0.31 -1.26 -4.96 118.33 113.40 3knn n VAL 9 Ca 0.00 -0.71 0.00 0.00 -0.01 0.00 0.00 64.34 63.62 3knn n VAL 9 Cb 0.00 0.99 0.00 0.00 -0.91 0.00 0.00 33.84 33.92 3knn n VAL 9 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 3knn n PHE 10 N 1.01 0.00 -1.87 3.52 -1.74 -1.26 -4.18 117.46 112.94 3knn n PHE 10 Ca 0.13 0.00 -0.40 0.00 -0.56 0.00 0.00 57.45 56.63 3knn n PHE 10 Cb 0.47 -0.31 0.01 0.00 1.52 0.00 0.00 39.48 41.17 3knn n PHE 10 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 3knn s VAL 11 N 0.00 2.23 0.43 1.97 0.11 -1.26 -4.71 120.40 119.17 3knn s VAL 11 Ca 0.00 0.20 -0.22 0.00 -2.93 0.00 0.00 61.98 59.03 3knn s VAL 11 Cb 0.00 -3.12 -0.09 0.00 -1.53 0.00 0.00 36.38 31.64 3knn s VAL 11 CO 0.00 0.03 1.01 -1.81 -3.33 0.00 0.00 175.10 171.00 3knn s ASP 12 N -0.59 6.71 -0.02 3.54 -0.00 -1.26 -4.97 116.67 120.08 3knn s ASP 12 Ca 0.60 1.90 -0.24 0.00 -0.00 0.00 0.00 52.55 54.80 3knn s ASP 12 Cb -0.42 -2.56 -0.18 0.00 -0.00 0.00 0.00 42.92 39.75 3knn s ASP 12 CO 0.54 -0.52 1.15 0.44 -0.00 0.00 0.00 175.17 176.78 3knn h ASP 13 N 2.09 -0.13 -1.66 0.27 3.45 -1.99 -3.29 116.42 115.16 3knn h ASP 13 Ca -0.49 -0.39 0.51 0.00 0.43 0.00 0.00 57.03 57.10 3knn h ASP 13 Cb 1.21 0.03 -0.10 0.00 -0.56 0.00 0.00 39.33 39.91 3knn h ASP 13 CO 0.61 0.35 1.15 0.00 -1.57 0.00 0.00 179.24 179.78 3knn n HIS 14 N -4.93 0.30 0.01 4.55 1.44 -1.26 0.17 115.22 115.50 3knn n HIS 14 Ca -0.09 0.30 -0.18 0.00 -2.01 0.00 0.00 57.72 55.75 3knn n HIS 14 Cb 0.26 -0.76 -0.14 0.00 0.12 0.00 0.00 29.99 29.47 3knn n HIS 14 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 3knn h LEU 15 N 0.00 0.32 -0.43 2.39 -0.00 -1.94 -3.33 115.31 112.32 3knn h LEU 15 Ca 0.88 -0.97 0.09 0.00 -0.00 0.00 0.00 57.88 57.88 3knn h LEU 15 Cb 3.26 -0.10 -0.09 0.00 -0.00 0.00 0.00 40.66 43.72 3knn h LEU 15 CO -0.20 1.27 -0.18 0.25 -0.00 0.00 0.00 178.44 179.58 3knn h LEU 16 N -0.57 -0.62 -0.90 1.67 5.85 0.16 0.13 115.31 121.04 3knn h LEU 16 Ca -0.10 0.15 0.12 0.00 0.84 0.00 0.00 57.88 58.90 3knn h LEU 16 Cb 1.44 0.35 -0.08 0.00 0.37 0.00 0.00 40.66 42.73 3knn h LEU 16 CO 0.10 -0.21 0.52 -0.08 -0.34 0.00 0.00 178.44 178.43 3knn h GLU 17 N -0.09 0.78 0.00 1.25 4.81 -1.41 0.55 114.58 120.48 3knn h GLU 17 Ca 0.21 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 3knn h GLU 17 Cb 0.41 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3knn h GLU 17 CO -0.49 0.52 -0.18 -0.22 -0.73 0.00 0.00 179.01 177.91 3knn h LYS 18 N 0.81 0.00 -0.22 1.92 1.63 -1.13 -1.13 116.57 118.45 3knn h LYS 18 Ca 0.46 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 60.18 3knn h LYS 18 Cb 0.51 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.14 3knn h LYS 18 CO -0.29 0.18 -0.17 0.28 -3.45 0.00 0.00 179.45 176.00 3knn h VAL 19 N 0.00 1.32 0.05 2.00 2.07 0.26 -2.36 116.25 119.58 3knn h VAL 19 Ca -0.00 -1.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.22 3knn h VAL 19 Cb 0.66 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 3knn h VAL 19 CO 0.02 0.40 -0.02 -0.07 0.02 0.00 0.00 177.57 177.92 3knn h LEU 20 N 0.20 -0.05 -0.82 2.57 3.38 -1.09 -1.02 115.31 118.47 3knn h LEU 20 Ca 0.04 -0.62 0.08 0.00 0.09 0.00 0.00 57.88 57.48 3knn h LEU 20 Cb 0.70 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.40 3knn h LEU 20 CO 0.04 0.66 0.49 -0.33 0.09 0.00 0.00 178.44 179.39 3knn h GLU 21 N -0.83 0.82 0.00 1.13 5.08 -1.32 1.10 114.58 120.56 3knn h GLU 21 Ca -0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3knn h GLU 21 Cb 0.67 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3knn h GLU 21 CO 0.01 0.55 -0.23 1.28 -1.00 0.00 0.00 179.01 179.62 3knn n LEU 22 N -4.70 0.80 -0.00 1.33 7.99 -0.89 -2.72 117.00 118.81 3knn n LEU 22 Ca 0.13 0.45 -0.18 0.00 -0.01 0.00 0.00 56.01 56.40 3knn n LEU 22 Cb 0.23 -0.26 -0.09 0.00 -0.11 0.00 0.00 43.42 43.19 3knn n LEU 22 CO 0.29 -0.14 0.21 -1.13 -1.51 0.00 0.00 177.39 175.10 3knn h ASN 23 N 0.00 0.90 -0.61 -1.43 -1.24 0.83 0.91 115.58 114.94 3knn h ASN 23 Ca 0.00 -0.67 -0.15 0.00 0.71 0.00 0.00 56.30 56.19 3knn h ASN 23 Cb 0.75 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.51 3knn h ASN 23 CO 0.00 1.44 0.40 0.00 -1.29 0.00 0.00 177.43 177.98 3knn s ALA 24 N -3.58 1.11 0.00 1.57 0.00 0.35 -0.40 121.76 120.80 3knn s ALA 24 Ca -0.10 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.89 3knn s ALA 24 Cb 0.08 -4.55 0.00 0.00 0.00 0.00 0.00 23.12 18.65 3knn s ALA 24 CO 0.90 -5.41 0.00 1.63 0.00 0.00 0.00 175.76 172.88 3knn n LYS 25 N 8.86 0.00 -2.11 0.00 4.76 -1.26 -4.65 118.16 123.75 3knn n LYS 25 Ca 0.43 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.87 3knn n LYS 25 Cb 0.45 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.64 3knn n LYS 25 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3knn n GLY 26 N -1.32 -0.71 0.00 0.72 0.00 0.46 -5.08 105.19 99.26 3knn n GLY 26 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3knn n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3knn n GLU 27 N -1.19 1.75 0.00 1.61 4.71 0.30 -4.98 120.64 122.84 3knn n GLU 27 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.16 3knn n GLU 27 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.89 3knn n GLU 27 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3knn n LYS 28 N 0.00 1.69 -0.52 3.49 4.76 -1.26 -4.97 118.16 121.35 3knn n LYS 28 Ca 0.00 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.43 3knn n LYS 28 Cb 0.00 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.18 3knn n LYS 28 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 3knn n ARG 29 N 0.00 0.00 0.00 1.97 -4.01 -1.26 -4.86 116.66 108.50 3knn n ARG 29 Ca 0.00 -0.16 0.00 0.00 -1.04 0.00 0.00 57.85 56.65 3knn n ARG 29 Cb 0.00 0.10 0.00 0.00 -3.04 0.00 0.00 32.46 29.52 3knn n ARG 29 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 3knn n LEU 30 N 0.00 0.93 -4.58 2.89 0.00 -1.26 -4.39 117.00 110.59 3knn n LEU 30 Ca -0.05 -0.47 -0.41 0.00 0.00 0.00 0.00 56.01 55.09 3knn n LEU 30 Cb 0.47 -0.17 -0.03 0.00 0.00 0.00 0.00 43.42 43.69 3knn n LEU 30 CO -0.02 0.16 1.50 -0.51 0.00 0.00 0.00 177.39 178.51 3knn s ILE 31 N 0.50 3.51 0.65 1.96 2.07 -1.26 -4.95 121.20 123.68 3knn s ILE 31 Ca 0.00 0.44 -0.06 0.00 -1.41 0.00 0.00 60.65 59.62 3knn s ILE 31 Cb 0.00 -3.93 0.14 0.00 0.13 0.00 0.00 42.46 38.80 3knn s ILE 31 CO 0.00 -0.75 0.88 0.29 -1.91 0.00 0.00 174.94 173.45 3knn n LYS 32 N 8.74 -0.40 0.00 3.50 5.02 -1.26 -2.11 118.16 131.65 3knn n LYS 32 Ca 0.20 -1.90 0.00 0.00 -2.02 0.00 0.00 58.31 54.59 3knn n LYS 32 Cb 0.49 -0.75 0.00 0.00 -0.02 0.00 0.00 35.03 34.76 3knn n LYS 32 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 3knn n THR 33 N -2.91 0.00 -1.76 -0.18 5.66 -1.21 -4.85 114.28 109.04 3knn n THR 33 Ca 0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.13 3knn n THR 33 Cb 0.45 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.23 3knn n THR 33 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 3knn n TRP 34 N -0.20 0.00 -2.35 1.09 8.01 -1.26 -3.93 117.44 118.80 3knn n TRP 34 Ca 0.00 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.79 3knn n TRP 34 Cb 0.00 0.09 0.03 0.00 -2.01 0.00 0.00 31.31 29.42 3knn n TRP 34 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 3knn n SER 35 N 0.00 7.34 0.00 -0.99 3.41 -1.26 -4.71 113.62 117.41 3knn n SER 35 Ca 0.00 -3.75 0.01 0.00 -0.26 0.00 0.00 58.87 54.87 3knn n SER 35 Cb 0.55 -1.11 0.08 0.00 -0.26 0.00 0.00 64.21 63.47 3knn n SER 35 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3knn n ARG 36 N -0.26 0.20 0.03 4.33 1.85 -1.26 -0.71 116.66 120.83 3knn n ARG 36 Ca 0.49 0.00 -0.00 0.00 -1.00 0.00 0.00 57.85 57.34 3knn n ARG 36 Cb 0.26 -1.21 -0.09 0.00 -1.05 0.00 0.00 32.46 30.37 3knn n ARG 36 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 3knn n ARG 37 N -0.71 0.62 -1.05 2.89 1.85 -1.26 -3.30 116.66 115.70 3knn n ARG 37 Ca 0.02 0.21 -0.29 0.00 -1.00 0.00 0.00 57.85 56.79 3knn n ARG 37 Cb 0.01 -1.80 0.20 0.00 -1.05 0.00 0.00 32.46 29.83 3knn n ARG 37 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 3knn s SER 38 N -5.75 1.93 -0.04 2.89 1.04 0.11 -4.88 113.70 109.00 3knn s SER 38 Ca -0.03 1.10 -0.02 0.00 0.48 0.00 0.00 55.95 57.48 3knn s SER 38 Cb 0.09 -1.71 -0.04 0.00 0.10 0.00 0.00 66.02 64.46 3knn s SER 38 CO 0.81 -3.55 0.09 -0.89 0.98 0.00 0.00 173.24 170.68 3knn s THR 39 N -2.89 4.91 0.91 2.02 2.01 -1.26 -2.90 115.64 118.44 3knn s THR 39 Ca 0.67 -0.24 -0.12 0.00 0.31 0.00 0.00 61.69 62.31 3knn s THR 39 Cb -0.18 -3.21 0.07 0.00 0.01 0.00 0.00 72.50 69.20 3knn s THR 39 CO 0.58 0.43 0.76 -0.38 -0.69 0.00 0.00 174.62 175.32 3knn n ILE 40 N 1.44 0.39 -4.39 1.82 5.41 -1.00 -4.86 119.36 118.18 3knn n ILE 40 Ca -0.15 -0.15 -0.34 0.00 1.00 0.00 0.00 62.75 63.11 3knn n ILE 40 Cb 0.53 -0.82 -0.11 0.00 -0.71 0.00 0.00 39.64 38.53 3knn n ILE 40 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3knn s VAL 41 N -2.40 4.09 -0.83 1.39 1.01 -1.26 -4.91 120.40 117.49 3knn s VAL 41 Ca 0.63 -0.31 -0.31 0.00 0.00 0.00 0.00 61.98 61.99 3knn s VAL 41 Cb -0.24 -2.76 -0.18 0.00 0.00 0.00 0.00 36.38 33.21 3knn s VAL 41 CO 0.62 0.54 2.58 -2.65 0.00 0.00 0.00 175.10 176.19 3knn n PRO 42 N 2.91 0.29 -1.64 2.72 -0.02 -1.26 -1.55 135.00 136.44 3knn n PRO 42 Ca -0.18 0.01 -0.01 0.00 -2.02 0.00 0.00 63.50 61.31 3knn n PRO 42 Cb 0.53 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3knn n PRO 42 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3knn n GLU 43 N 8.56 -0.15 0.00 -0.52 0.00 -1.26 -4.96 120.64 122.30 3knn n GLU 43 Ca 0.58 0.32 0.09 0.00 0.00 0.00 0.00 57.16 58.15 3knn n GLU 43 Cb 0.16 -1.87 0.07 0.00 0.00 0.00 0.00 31.44 29.80 3knn n GLU 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3knn n MET 44 N -1.37 1.55 -1.60 5.31 2.81 -0.60 -4.97 117.12 118.25 3knn n MET 44 Ca -0.00 -1.54 -0.46 0.00 -1.81 0.00 0.00 57.70 53.88 3knn n MET 44 Cb 0.51 -1.35 -0.03 0.00 -0.71 0.00 0.00 33.22 31.64 3knn n MET 44 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 3knn n VAL 45 N 0.95 1.43 0.00 2.03 0.24 -1.26 -0.54 118.33 121.19 3knn n VAL 45 Ca 0.10 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 3knn n VAL 45 Cb 0.45 -1.03 0.00 0.00 -1.47 0.00 0.00 33.84 31.79 3knn n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3knn n GLY 46 N 1.64 2.83 3.46 7.63 0.00 -1.26 -4.97 105.19 114.53 3knn n GLY 46 Ca 0.12 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3knn n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3knn s HIS 47 N -2.02 3.23 -0.33 1.61 3.76 0.30 -4.91 115.29 116.94 3knn s HIS 47 Ca 0.00 -0.54 -0.14 0.00 -0.15 0.00 0.00 55.06 54.24 3knn s HIS 47 Cb 0.00 -2.51 -0.02 0.00 1.11 0.00 0.00 32.58 31.16 3knn s HIS 47 CO 0.00 -0.52 0.30 0.95 -0.85 0.00 0.00 174.74 174.62 3knn s THR 48 N 1.66 5.23 -0.08 1.30 -4.23 -1.26 -4.56 115.64 113.70 3knn s THR 48 Ca 0.05 0.02 -0.10 0.00 -1.18 0.00 0.00 61.69 60.48 3knn s THR 48 Cb -0.18 -3.73 -0.05 0.00 1.34 0.00 0.00 72.50 69.88 3knn s THR 48 CO 0.09 0.01 0.23 -0.63 -0.54 0.00 0.00 174.62 173.78 3knn s ILE 49 N 1.88 5.35 -0.52 2.99 1.09 -0.96 -4.46 121.20 126.58 3knn s ILE 49 Ca 0.09 0.42 -0.18 0.00 -1.10 0.00 0.00 60.65 59.89 3knn s ILE 49 Cb -0.17 -3.51 0.08 0.00 -1.06 0.00 0.00 42.46 37.81 3knn s ILE 49 CO 0.11 0.60 0.55 0.00 -0.10 0.00 0.00 174.94 176.10 3knn s ALA 50 N -0.98 3.48 0.86 9.38 0.00 -0.90 -1.79 121.76 131.80 3knn s ALA 50 Ca 0.18 -2.04 -0.13 0.00 0.00 0.00 0.00 51.96 49.96 3knn s ALA 50 Cb -0.13 -3.29 0.12 0.00 0.00 0.00 0.00 23.12 19.81 3knn s ALA 50 CO 0.07 -1.99 1.22 0.08 0.00 0.00 0.00 175.76 175.14 3knn s VAL 51 N 2.21 2.00 -0.24 0.00 1.01 -0.90 -3.30 120.40 121.18 3knn s VAL 51 Ca 0.10 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.10 3knn s VAL 51 Cb -0.23 -2.99 0.05 0.00 0.00 0.00 0.00 36.38 33.22 3knn s VAL 51 CO 0.08 0.00 -0.12 -0.47 0.00 0.00 0.00 175.10 174.59 3knn s TYR 52 N -3.65 3.13 -2.13 5.22 5.04 -1.25 -0.63 117.35 123.08 3knn s TYR 52 Ca 0.65 -2.17 0.26 0.00 -2.44 0.00 0.00 57.07 53.37 3knn s TYR 52 Cb -0.09 -1.91 1.36 0.00 0.35 0.00 0.00 41.96 41.67 3knn s TYR 52 CO 0.50 -0.86 1.90 0.27 -1.34 0.00 0.00 175.55 176.02 3knn n ASN 53 N 4.48 0.51 0.00 4.32 6.94 -1.23 -4.85 115.26 125.43 3knn n ASN 53 Ca -0.15 -1.31 0.00 0.00 -0.02 0.00 0.00 54.58 53.10 3knn n ASN 53 Cb 0.44 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.84 3knn n ASN 53 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3knn n GLY 54 N 0.99 1.38 0.53 4.83 0.00 -1.26 -4.70 105.19 106.95 3knn n GLY 54 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 3knn n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3knn n LYS 55 N -0.05 0.32 -0.83 1.61 4.81 -1.26 -5.12 118.16 117.64 3knn n LYS 55 Ca 0.00 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 3knn n LYS 55 Cb 0.00 -1.04 0.00 0.00 0.02 0.00 0.00 35.03 34.01 3knn n LYS 55 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3knn n GLN 56 N -3.78 0.00 -3.54 1.64 10.64 -1.26 -5.14 117.38 115.94 3knn n GLN 56 Ca -0.24 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 54.53 3knn n GLN 56 Cb 0.60 0.00 -0.11 0.00 -0.86 0.00 0.00 30.24 29.87 3knn n GLN 56 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 3knn s HIS 57 N -3.14 3.23 -0.61 2.61 3.76 -1.26 -3.50 115.29 116.38 3knn s HIS 57 Ca 0.00 -0.11 -0.20 0.00 -0.15 0.00 0.00 55.06 54.60 3knn s HIS 57 Cb 0.00 -2.45 0.09 0.00 1.11 0.00 0.00 32.58 31.33 3knn s HIS 57 CO 0.00 -0.30 0.79 0.14 -0.85 0.00 0.00 174.74 174.52 3knn s VAL 58 N 1.74 4.64 -0.89 -0.90 -7.23 0.20 -4.85 120.40 113.11 3knn s VAL 58 Ca 0.06 -0.73 -0.25 0.00 -1.81 0.00 0.00 61.98 59.26 3knn s VAL 58 Cb -0.17 -4.55 -0.06 0.00 0.56 0.00 0.00 36.38 32.16 3knn s VAL 58 CO 0.11 -1.22 2.00 -2.16 -0.31 0.00 0.00 175.10 173.51 3knn s PRO 59 N 3.18 2.45 -0.07 4.82 0.04 -1.26 -2.11 135.00 142.04 3knn s PRO 59 Ca 0.16 -0.21 -0.12 0.00 0.04 0.00 0.00 61.00 60.87 3knn s PRO 59 Cb -0.21 -5.03 -0.05 0.00 0.04 0.00 0.00 34.50 29.25 3knn s PRO 59 CO 0.08 -3.50 0.30 0.54 0.04 0.00 0.00 177.00 174.46 3knn s VAL 60 N 10.62 5.24 0.00 -0.36 0.11 -0.74 -4.95 120.40 130.32 3knn s VAL 60 Ca 0.73 0.58 0.00 0.00 -2.93 0.00 0.00 61.98 60.36 3knn s VAL 60 Cb -0.07 -3.60 0.00 0.00 -1.53 0.00 0.00 36.38 31.18 3knn s VAL 60 CO 0.00 0.55 0.00 0.00 -3.33 0.00 0.00 175.10 172.32 3knn n TYR 61 N 2.25 0.00 0.00 1.54 -0.00 -1.26 -2.27 117.16 117.42 3knn n TYR 61 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.75 3knn n TYR 61 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.87 3knn n TYR 61 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.86 178.37 3knn n ILE 62 N 0.00 0.00 -3.86 2.97 0.13 -1.26 -4.26 119.36 113.08 3knn n ILE 62 Ca 0.00 0.00 -0.09 0.00 -1.10 0.00 0.00 62.75 61.56 3knn n ILE 62 Cb 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 39.64 38.75 3knn n ILE 62 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 3knn s THR 63 N -0.13 0.04 0.57 9.51 -1.32 -1.26 -4.05 115.64 119.00 3knn s THR 63 Ca 0.00 -1.09 0.32 0.00 -1.21 0.00 0.00 61.69 59.71 3knn s THR 63 Cb 0.00 -1.76 0.46 0.00 -1.51 0.00 0.00 72.50 69.69 3knn s THR 63 CO 0.00 -0.17 1.78 1.05 -2.21 0.00 0.00 174.62 175.07 3knn h GLU 64 N 2.34 0.00 0.83 7.08 4.11 -2.00 -2.30 114.58 124.63 3knn h GLU 64 Ca -0.29 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.10 3knn h GLU 64 Cb 1.25 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.51 3knn h GLU 64 CO 0.41 0.00 -0.40 -0.91 0.07 0.00 0.00 179.01 178.18 3knn h ASN 65 N 0.00 -0.94 -1.04 3.06 4.21 -2.06 -3.38 115.58 115.43 3knn h ASN 65 Ca 0.41 0.03 -0.60 0.00 1.21 0.00 0.00 56.30 57.34 3knn h ASN 65 Cb 1.89 0.24 -0.09 0.00 -1.12 0.00 0.00 38.32 39.24 3knn h ASN 65 CO -0.00 -0.60 1.61 0.00 -1.29 0.00 0.00 177.43 177.15 3knn s MET 66 N -5.33 3.62 0.00 0.81 0.23 -0.87 -4.45 119.30 113.32 3knn s MET 66 Ca -0.17 -1.26 0.00 0.00 -1.03 0.00 0.00 55.69 53.23 3knn s MET 66 Cb 0.02 -5.38 0.00 0.00 -1.53 0.00 0.00 34.83 27.93 3knn s MET 66 CO 0.52 -2.27 0.00 0.28 -2.03 0.00 0.00 175.02 171.51 3knn n VAL 67 N 6.83 0.00 1.36 5.16 0.31 -1.26 -4.53 118.33 126.20 3knn n VAL 67 Ca 0.36 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.84 3knn n VAL 67 Cb 0.50 -0.11 0.67 0.00 -0.91 0.00 0.00 33.84 33.99 3knn n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3knn n GLY 68 N 1.85 -1.18 3.92 2.92 0.00 -1.26 -3.93 105.19 107.52 3knn n GLY 68 Ca 0.00 -0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 3knn n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3knn s HIS 69 N -2.60 3.20 0.02 1.61 3.76 -1.26 -4.91 115.29 115.12 3knn s HIS 69 Ca 0.26 0.55 -0.04 0.00 -0.15 0.00 0.00 55.06 55.68 3knn s HIS 69 Cb 0.20 -2.73 -0.04 0.00 1.11 0.00 0.00 32.58 31.11 3knn s HIS 69 CO 0.48 -0.83 0.24 0.15 -0.85 0.00 0.00 174.74 173.94 3knn s LYS 70 N -4.95 3.52 0.00 1.40 -0.14 -1.26 -2.37 119.74 115.94 3knn s LYS 70 Ca 0.54 -0.20 0.01 0.00 -1.36 0.00 0.00 55.97 54.96 3knn s LYS 70 Cb -0.10 -3.05 0.05 0.00 -1.68 0.00 0.00 37.83 33.05 3knn s LYS 70 CO 0.44 0.63 0.32 1.28 -0.76 0.00 0.00 175.35 177.27 3knn n LEU 71 N 0.84 0.00 -0.05 3.17 4.77 -1.14 0.11 117.00 124.70 3knn n LEU 71 Ca -0.09 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.00 3knn n LEU 71 Cb 0.52 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.66 3knn n LEU 71 CO 0.44 0.00 0.19 0.61 -1.33 0.00 0.00 177.39 177.31 3knn n GLY 72 N -0.66 -0.99 2.14 -0.72 0.00 -1.21 -4.00 105.19 99.74 3knn n GLY 72 Ca 0.01 -0.50 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 3knn n GLY 72 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3knn n GLU 73 N -1.35 2.20 0.00 1.61 1.02 0.12 -3.74 120.64 120.50 3knn n GLU 73 Ca 0.05 -2.77 0.00 0.00 -0.02 0.00 0.00 57.16 54.43 3knn n GLU 73 Cb 0.34 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.68 3knn n GLU 73 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3knn n PHE 74 N -0.94 0.00 -3.79 -0.32 3.72 -1.26 -4.97 117.46 109.90 3knn n PHE 74 Ca 0.55 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.65 3knn n PHE 74 Cb 1.41 0.05 -0.13 0.00 -0.94 0.00 0.00 39.48 39.87 3knn n PHE 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3knn s ALA 75 N 0.00 2.69 0.26 4.37 0.00 -1.24 -4.82 121.76 123.01 3knn s ALA 75 Ca 0.00 -2.96 -0.31 0.00 0.00 0.00 0.00 51.96 48.69 3knn s ALA 75 Cb 0.00 -1.99 -0.13 0.00 0.00 0.00 0.00 23.12 21.00 3knn s ALA 75 CO 0.00 -2.05 1.51 -0.35 0.00 0.00 0.00 175.76 174.87 3knn n PRO 76 N 3.17 2.36 -0.78 0.00 -0.04 -1.26 -4.76 135.00 133.68 3knn n PRO 76 Ca 0.10 0.84 0.08 0.00 -0.04 0.00 0.00 63.50 64.48 3knn n PRO 76 Cb 0.34 -2.56 0.37 0.00 -0.04 0.00 0.00 33.50 31.62 3knn n PRO 76 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3knn n THR 77 N 2.11 2.57 -3.91 0.52 -2.24 -1.26 -4.71 114.28 107.36 3knn n THR 77 Ca 0.10 -1.47 -0.10 0.00 -2.27 0.00 0.00 64.05 60.32 3knn n THR 77 Cb 0.34 -0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.29 3knn n THR 77 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3knn s ARG 78 N -2.67 1.25 -0.21 -0.78 0.52 -1.26 -5.04 118.95 110.76 3knn s ARG 78 Ca 0.52 -1.11 -0.09 0.00 -0.52 0.00 0.00 55.73 54.53 3knn s ARG 78 Cb 0.39 0.42 -0.04 0.00 0.52 0.00 0.00 34.95 36.24 3knn s ARG 78 CO 0.16 -0.48 0.10 0.99 0.02 0.00 0.00 175.30 176.09 3knn s THR 79 N -3.95 5.00 0.00 0.02 2.01 -1.26 -4.71 115.64 112.75 3knn s THR 79 Ca 0.16 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.21 3knn s THR 79 Cb 0.02 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 69.24 3knn s THR 79 CO 0.00 0.40 0.00 0.00 -0.69 0.00 0.00 174.62 174.33 3knn n TYR 80 N 3.96 0.00 -1.81 4.92 9.36 -1.26 -5.15 117.16 127.19 3knn n TYR 80 Ca -0.16 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.06 3knn n TYR 80 Cb 0.52 -0.94 0.00 0.00 -0.63 0.00 0.00 39.34 38.29 3knn n TYR 80 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3knn n ARG 81 N -0.44 3.86 0.00 2.98 5.12 -1.26 -5.25 116.66 121.68 3knn n ARG 81 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3knn n ARG 81 Cb 0.12 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.42 3knn n ARG 81 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11