#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aab n LYS 2 N 0.00 0.88 -1.96 1.61 5.02 -1.26 -4.64 118.16 117.81 1aab n LYS 2 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 1aab n LYS 2 Cb 0.00 -1.12 -0.07 0.00 -0.02 0.00 0.00 35.03 33.82 1aab n LYS 2 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1aab s GLY 3 N -1.32 -0.11 0.14 0.72 0.00 -1.26 -4.71 107.32 100.78 1aab s GLY 3 Ca 0.10 -1.90 -0.01 0.00 0.00 0.00 0.00 44.72 42.90 1aab s GLY 3 CO 0.08 3.71 1.31 -0.55 0.00 0.00 0.00 173.10 177.65 1aab h ASP 4 N 10.37 0.38 0.36 1.64 3.32 -1.91 -3.25 116.42 127.32 1aab h ASP 4 Ca 0.16 -0.32 -0.05 0.00 0.02 0.00 0.00 57.03 56.83 1aab h ASP 4 Cb 0.96 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 1aab h ASP 4 CO 1.18 1.14 -0.26 -0.65 -1.72 0.00 0.00 179.24 178.92 1aab h PRO 5 N 0.15 0.00 -0.79 3.56 0.11 -1.87 -1.37 132.00 131.79 1aab h PRO 5 Ca -0.07 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.04 1aab h PRO 5 Cb 1.61 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.72 1aab h PRO 5 CO 0.15 0.26 0.01 1.63 -0.21 0.00 0.00 178.00 179.84 1aab n LYS 6 N -4.01 2.96 -4.01 1.05 4.01 -1.23 -4.87 118.16 112.06 1aab n LYS 6 Ca -0.02 -1.59 -0.11 0.00 -0.51 0.00 0.00 58.31 56.08 1aab n LYS 6 Cb 0.33 -1.89 -0.04 0.00 -0.51 0.00 0.00 35.03 32.92 1aab n LYS 6 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1aab s LYS 7 N -1.89 1.75 0.00 1.97 1.02 -0.52 -5.05 119.74 117.03 1aab s LYS 7 Ca 0.28 -1.47 0.00 0.00 0.02 0.00 0.00 55.97 54.80 1aab s LYS 7 Cb 0.21 0.47 0.00 0.00 -0.52 0.00 0.00 37.83 37.99 1aab s LYS 7 CO 0.08 -0.74 0.00 -2.30 -0.92 0.00 0.00 175.35 171.47 1aab n PRO 8 N -0.46 -0.12 -0.36 -1.68 -0.02 -1.26 -4.84 135.00 126.26 1aab n PRO 8 Ca -0.01 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.37 1aab n PRO 8 Cb 0.62 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 34.01 1aab n PRO 8 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1aab n ARG 9 N -0.76 -0.38 0.00 -0.52 5.12 -1.26 -4.79 116.66 114.07 1aab n ARG 9 Ca 0.00 1.41 0.00 0.00 -1.93 0.00 0.00 57.85 57.33 1aab n ARG 9 Cb 0.00 -2.08 0.00 0.00 -1.16 0.00 0.00 32.46 29.22 1aab n ARG 9 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1aab n GLY 10 N -1.22 -0.29 3.54 -0.13 0.00 -1.26 -4.94 105.19 100.89 1aab n GLY 10 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 1aab n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1aab n LYS 11 N 0.00 -2.36 -0.93 1.61 4.81 -1.26 -4.91 118.16 115.12 1aab n LYS 11 Ca 0.00 0.63 -0.33 0.00 -0.87 0.00 0.00 58.31 57.74 1aab n LYS 11 Cb 0.00 -4.91 0.13 0.00 0.02 0.00 0.00 35.03 30.26 1aab n LYS 11 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1aab n MET 12 N -3.89 -0.10 -2.25 1.64 2.81 -1.26 -4.99 117.12 109.08 1aab n MET 12 Ca -0.13 0.03 -0.27 0.00 -1.81 0.00 0.00 57.70 55.53 1aab n MET 12 Cb 0.62 -2.14 0.14 0.00 -0.71 0.00 0.00 33.22 31.14 1aab n MET 12 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1aab s SER 13 N -2.10 3.76 0.31 7.83 0.15 -1.26 -4.78 113.70 117.61 1aab s SER 13 Ca 0.65 -0.02 0.13 0.00 0.70 0.00 0.00 55.95 57.41 1aab s SER 13 Cb -0.26 -0.21 0.48 0.00 -1.71 0.00 0.00 66.02 64.32 1aab s SER 13 CO 0.59 -2.28 1.67 0.77 1.20 0.00 0.00 173.24 175.19 1aab h SER 14 N -1.08 0.00 0.00 5.45 4.64 -1.93 -2.51 113.55 118.12 1aab h SER 14 Ca -0.41 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.90 1aab h SER 14 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1aab h SER 14 CO 0.40 0.53 -0.05 0.22 -0.87 0.00 0.00 176.83 177.06 1aab h TYR 15 N 0.00 0.05 -0.29 4.77 3.20 -1.93 -3.07 116.97 119.69 1aab h TYR 15 Ca -0.01 -0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.92 1aab h TYR 15 Cb 0.99 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 1aab h TYR 15 CO 0.00 0.83 0.29 0.00 -1.64 0.00 0.00 178.16 177.64 1aab h ALA 16 N 0.20 2.01 -0.06 1.82 0.00 -1.93 0.41 119.26 121.72 1aab h ALA 16 Ca -0.01 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1aab h ALA 16 Cb 0.85 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1aab h ALA 16 CO 0.01 -0.44 -0.57 0.74 0.00 0.00 0.00 179.25 178.99 1aab h PHE 17 N 0.00 0.22 0.00 0.00 0.04 -1.37 -1.09 116.94 114.74 1aab h PHE 17 Ca 0.14 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1aab h PHE 17 Cb 0.71 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.82 1aab h PHE 17 CO 0.00 0.71 0.00 0.35 -0.60 0.00 0.00 178.31 178.77 1aab h PHE 18 N 0.13 0.00 0.13 -0.55 3.04 -0.15 -2.91 116.94 116.64 1aab h PHE 18 Ca -0.00 0.00 -0.20 0.00 3.98 0.00 0.00 57.97 61.75 1aab h PHE 18 Cb 1.05 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.57 1aab h PHE 18 CO 0.01 0.00 -0.91 0.28 -2.02 0.00 0.00 178.31 175.67 1aab h VAL 19 N 0.00 1.42 0.00 1.41 2.07 -0.65 -0.38 116.25 120.12 1aab h VAL 19 Ca 0.00 -2.50 -0.00 0.00 0.82 0.00 0.00 66.70 65.02 1aab h VAL 19 Cb 0.90 3.10 -0.00 0.00 -1.52 0.00 0.00 31.29 33.77 1aab h VAL 19 CO 0.00 0.70 -0.01 0.06 0.02 0.00 0.00 177.57 178.35 1aab h GLN 20 N -0.39 0.00 0.00 1.57 -0.00 -1.24 0.81 115.11 115.86 1aab h GLN 20 Ca -0.17 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.27 1aab h GLN 20 Cb 1.64 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 29.09 1aab h GLN 20 CO 0.12 0.01 -1.00 1.15 -0.00 0.00 0.00 178.83 179.11 1aab h THR 21 N 0.00 1.68 0.00 1.86 2.02 -1.46 -3.06 112.91 113.96 1aab h THR 21 Ca -0.00 -3.39 -0.08 0.00 0.77 0.00 0.00 66.41 63.71 1aab h THR 21 Cb 0.02 2.83 -0.01 0.00 -1.74 0.00 0.00 68.15 69.25 1aab h THR 21 CO 0.00 0.96 -0.41 -1.28 0.37 0.00 0.00 175.52 175.16 1aab h SER 22 N 0.00 0.00 -0.29 4.18 0.87 0.15 -3.28 113.55 115.18 1aab h SER 22 Ca -0.01 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 1aab h SER 22 Cb 1.76 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.71 1aab h SER 22 CO 0.13 0.39 -0.07 -0.09 -0.53 0.00 0.00 176.83 176.65 1aab h ARG 23 N 0.00 0.57 0.00 2.24 2.43 0.49 0.13 114.38 120.24 1aab h ARG 23 Ca -0.01 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 58.94 1aab h ARG 23 Cb 1.30 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1aab h ARG 23 CO 0.05 0.77 -0.02 0.93 -1.51 0.00 0.00 179.97 180.18 1aab h GLU 24 N 0.33 0.00 0.09 0.20 5.08 -1.59 0.34 114.58 119.02 1aab h GLU 24 Ca 0.07 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.15 1aab h GLU 24 Cb 0.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1aab h GLU 24 CO 0.03 0.02 -1.44 1.49 -1.00 0.00 0.00 179.01 178.11 1aab h GLU 25 N 0.00 0.19 0.00 2.33 4.81 -1.54 -3.30 114.58 117.08 1aab h GLU 25 Ca -0.00 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1aab h GLU 25 Cb 0.05 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1aab h GLU 25 CO 0.00 1.04 0.00 1.25 -0.73 0.00 0.00 179.01 180.58 1aab h HIS 26 N 0.05 0.00 0.00 0.92 2.76 0.12 -3.01 115.15 115.99 1aab h HIS 26 Ca -0.20 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.97 1aab h HIS 26 Cb 1.97 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.93 1aab h HIS 26 CO 0.05 0.00 0.00 1.17 -1.30 0.00 0.00 177.93 177.85 1aab n LYS 27 N -2.96 0.24 0.07 5.26 4.81 0.11 -2.20 118.16 123.48 1aab n LYS 27 Ca 0.04 0.13 0.13 0.00 -0.87 0.00 0.00 58.31 57.74 1aab n LYS 27 Cb 0.50 -1.50 0.43 0.00 0.02 0.00 0.00 35.03 34.48 1aab n LYS 27 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1aab n LYS 28 N -1.25 0.18 -2.69 1.64 4.76 -1.14 -4.36 118.16 115.31 1aab n LYS 28 Ca 0.07 0.13 -0.05 0.00 -2.87 0.00 0.00 58.31 55.59 1aab n LYS 28 Cb 0.11 -1.69 0.12 0.00 -1.84 0.00 0.00 35.03 31.72 1aab n LYS 28 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1aab n LYS 29 N -2.00 1.26 -3.01 1.97 2.85 -0.94 -5.02 118.16 113.28 1aab n LYS 29 Ca 0.06 -1.65 -0.16 0.00 -1.05 0.00 0.00 58.31 55.50 1aab n LYS 29 Cb 0.40 0.08 -0.00 0.00 -0.65 0.00 0.00 35.03 34.86 1aab n LYS 29 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1aab n HIS 30 N -0.92 -1.33 0.08 5.58 8.25 -1.17 -4.97 115.22 120.74 1aab n HIS 30 Ca -0.08 -2.98 -0.16 0.00 -0.26 0.00 0.00 57.72 54.25 1aab n HIS 30 Cb 0.86 0.41 -0.08 0.00 1.12 0.00 0.00 29.99 32.29 1aab n HIS 30 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1aab h PRO 31 N 3.56 0.41 0.10 -0.41 0.13 -1.90 -3.28 132.00 130.61 1aab h PRO 31 Ca -0.00 -0.52 -0.27 0.00 -0.87 0.00 0.00 66.00 64.34 1aab h PRO 31 Cb 0.98 0.16 0.01 0.00 0.13 0.00 0.00 31.00 32.28 1aab h PRO 31 CO 0.38 1.18 -1.17 -0.44 -0.23 0.00 0.00 178.00 177.73 1aab h ASP 32 N 0.20 0.60 -1.00 1.44 5.19 -2.02 -3.29 116.42 117.54 1aab h ASP 32 Ca -0.11 -0.57 0.04 0.00 -0.62 0.00 0.00 57.03 55.77 1aab h ASP 32 Cb 1.74 -0.19 -0.06 0.00 0.18 0.00 0.00 39.33 41.00 1aab h ASP 32 CO 0.19 1.40 0.65 0.00 -3.12 0.00 0.00 179.24 178.36 1aab h ALA 33 N 0.53 1.36 0.00 3.45 0.00 -1.97 -3.44 119.26 119.19 1aab h ALA 33 Ca -0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1aab h ALA 33 Cb 1.85 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1aab h ALA 33 CO 0.21 0.53 0.00 0.43 0.00 0.00 0.00 179.25 180.41 1aab n SER 34 N -4.45 0.00 -3.22 0.00 7.64 -1.24 -3.83 113.62 108.52 1aab n SER 34 Ca 0.14 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.79 1aab n SER 34 Cb 0.11 -2.36 0.02 0.00 -1.01 0.00 0.00 64.21 60.98 1aab n SER 34 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1aab n VAL 35 N -1.83 -6.39 0.59 0.44 0.31 -1.26 -4.82 118.33 105.37 1aab n VAL 35 Ca 0.00 0.50 0.02 0.00 -0.01 0.00 0.00 64.34 64.85 1aab n VAL 35 Cb 0.00 -4.83 0.10 0.00 -0.91 0.00 0.00 33.84 28.20 1aab n VAL 35 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1aab n ASN 36 N 0.03 2.07 -4.02 4.52 3.02 -1.25 -4.84 115.26 114.79 1aab n ASN 36 Ca -0.01 -2.21 -0.31 0.00 -0.03 0.00 0.00 54.58 52.02 1aab n ASN 36 Cb 0.55 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 1aab n ASN 36 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1aab n PHE 37 N 0.14 -1.99 -1.53 3.10 3.72 -1.26 -4.63 117.46 115.02 1aab n PHE 37 Ca 0.07 0.84 0.00 0.00 -0.05 0.00 0.00 57.45 58.31 1aab n PHE 37 Cb 0.46 -3.59 0.00 0.00 -0.94 0.00 0.00 39.48 35.41 1aab n PHE 37 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1aab n SER 38 N -2.80 0.00 -2.28 4.37 3.41 -1.26 -4.90 113.62 110.16 1aab n SER 38 Ca -0.01 -0.54 -0.00 0.00 -0.26 0.00 0.00 58.87 58.06 1aab n SER 38 Cb 0.54 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.54 1aab n SER 38 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1aab n GLU 39 N 0.00 1.05 0.11 4.33 1.02 -1.26 -4.89 120.64 121.00 1aab n GLU 39 Ca 0.00 -2.32 0.00 0.00 -0.02 0.00 0.00 57.16 54.82 1aab n GLU 39 Cb 0.13 -0.51 0.00 0.00 -0.02 0.00 0.00 31.44 31.04 1aab n GLU 39 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1aab n PHE 40 N -0.51 -2.24 0.09 -0.32 7.35 -1.26 -4.80 117.46 115.77 1aab n PHE 40 Ca -0.03 0.49 0.05 0.00 -0.76 0.00 0.00 57.45 57.20 1aab n PHE 40 Cb 0.88 1.18 0.27 0.00 0.35 0.00 0.00 39.48 42.17 1aab n PHE 40 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1aab n SER 41 N -3.09 0.26 -0.08 -2.13 3.41 -1.26 0.18 113.62 110.91 1aab n SER 41 Ca 0.00 0.56 -0.04 0.00 -0.26 0.00 0.00 58.87 59.13 1aab n SER 41 Cb 0.00 -0.58 0.17 0.00 -0.26 0.00 0.00 64.21 63.55 1aab n SER 41 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1aab h LYS 42 N 0.00 0.72 0.04 4.33 3.64 -1.90 0.91 116.57 124.30 1aab h LYS 42 Ca 0.00 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1aab h LYS 42 Cb 0.19 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1aab h LYS 42 CO 0.00 0.77 -0.02 0.87 -2.27 0.00 0.00 179.45 178.80 1aab h LYS 43 N 0.66 -0.05 -0.69 1.90 1.57 -0.61 -3.12 116.57 116.23 1aab h LYS 43 Ca 0.12 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.02 1aab h LYS 43 Cb 0.49 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 1aab h LYS 43 CO 0.03 0.51 0.46 0.00 -0.57 0.00 0.00 179.45 179.88 1aab h SER 45 N 0.46 -0.46 0.12 0.00 0.87 -0.89 0.47 113.55 114.11 1aab h SER 45 Ca 0.33 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1aab h SER 45 Cb 0.64 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1aab h SER 45 CO -0.10 -0.32 0.00 -0.62 -0.53 0.00 0.00 176.83 175.26 1aab n GLU 46 N -5.32 0.30 -0.00 2.24 1.02 -0.65 -1.29 120.64 116.94 1aab n GLU 46 Ca -0.11 0.08 0.07 0.00 -0.02 0.00 0.00 57.16 57.18 1aab n GLU 46 Cb 0.24 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.07 1aab n GLU 46 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1aab n ARG 47 N -1.14 1.95 -0.07 3.49 0.63 -0.06 -4.47 116.66 116.99 1aab n ARG 47 Ca 0.08 -0.03 -0.08 0.00 -0.92 0.00 0.00 57.85 56.90 1aab n ARG 47 Cb 0.07 -1.19 -0.03 0.00 0.45 0.00 0.00 32.46 31.76 1aab n ARG 47 CO 0.00 0.00 0.00 1.87 -2.51 0.00 0.00 177.63 176.99 1aab n TRP 48 N -1.50 0.00 0.27 -0.14 -0.00 0.15 -4.28 117.44 111.93 1aab n TRP 48 Ca 0.01 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.59 1aab n TRP 48 Cb 0.25 -0.43 0.41 0.00 -0.00 0.00 0.00 31.31 31.55 1aab n TRP 48 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 177.69 178.56 1aab h LYS 49 N -0.85 0.00 0.11 5.87 1.57 -1.43 0.26 116.57 122.11 1aab h LYS 49 Ca 0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 1aab h LYS 49 Cb 0.85 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 1aab h LYS 49 CO 0.00 0.00 -1.53 0.00 -0.57 0.00 0.00 179.45 177.35 1aab h THR 50 N 0.00 1.15 -2.54 -0.16 1.03 -1.78 -3.47 112.91 107.14 1aab h THR 50 Ca 0.00 -2.80 -0.44 0.00 -0.01 0.00 0.00 66.41 63.16 1aab h THR 50 Cb 1.04 2.74 0.23 0.00 -1.07 0.00 0.00 68.15 71.10 1aab h THR 50 CO 0.00 0.81 -0.76 0.23 -0.01 0.00 0.00 175.52 175.79 1aab n MET 51 N -3.44 -2.01 -3.16 0.00 2.81 0.93 -4.98 117.12 107.27 1aab n MET 51 Ca -0.16 -0.57 -0.29 0.00 -1.81 0.00 0.00 57.70 54.86 1aab n MET 51 Cb 1.04 -1.84 -0.03 0.00 -0.71 0.00 0.00 33.22 31.68 1aab n MET 51 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1aab s SER 52 N -2.01 6.48 0.29 7.83 0.01 -1.26 -4.91 113.70 120.13 1aab s SER 52 Ca 0.60 0.88 0.16 0.00 1.31 0.00 0.00 55.95 58.90 1aab s SER 52 Cb -0.16 -2.22 0.88 0.00 0.21 0.00 0.00 66.02 64.73 1aab s SER 52 CO 0.66 -0.27 1.44 0.00 0.41 0.00 0.00 173.24 175.48 1aab n ALA 53 N -1.03 0.85 0.11 1.44 0.00 -1.26 -1.33 120.51 119.29 1aab n ALA 53 Ca -0.00 0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.47 1aab n ALA 53 Cb 0.54 -1.06 -0.08 0.00 0.00 0.00 0.00 19.45 18.85 1aab n ALA 53 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1aab h LYS 54 N 0.00 -0.32 -0.49 0.00 1.57 -1.98 0.16 116.57 115.52 1aab h LYS 54 Ca 0.00 0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 1aab h LYS 54 Cb 0.26 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1aab h LYS 54 CO 0.00 0.05 -0.10 0.93 -0.57 0.00 0.00 179.45 179.76 1aab h GLU 55 N -0.81 0.94 0.00 3.15 4.39 -1.59 -0.73 114.58 119.93 1aab h GLU 55 Ca -0.03 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1aab h GLU 55 Cb 0.51 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1aab h GLU 55 CO 0.06 1.01 0.00 1.63 -1.16 0.00 0.00 179.01 180.55 1aab n LYS 56 N -4.22 0.07 0.07 2.33 5.02 -0.59 -1.83 118.16 119.01 1aab n LYS 56 Ca 0.01 0.22 -0.17 0.00 -2.02 0.00 0.00 58.31 56.34 1aab n LYS 56 Cb 0.39 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.82 1aab n LYS 56 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1aab h GLY 57 N 2.50 0.56 2.00 0.72 0.00 0.90 -1.25 103.07 108.50 1aab h GLY 57 Ca 0.00 -1.04 -0.07 0.00 0.00 0.00 0.00 47.33 46.22 1aab h GLY 57 CO 0.00 0.92 -0.34 1.70 0.00 0.00 0.00 176.54 178.81 1aab h LYS 58 N 0.26 0.00 0.00 4.80 3.11 -1.23 -2.43 116.57 121.08 1aab h LYS 58 Ca -0.11 0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 57.60 1aab h LYS 58 Cb 1.69 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.90 1aab h LYS 58 CO 0.19 0.34 -0.73 0.74 -2.81 0.00 0.00 179.45 177.18 1aab h PHE 59 N 0.00 0.00 0.00 1.91 0.04 -1.45 -2.79 116.94 114.65 1aab h PHE 59 Ca -0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 1aab h PHE 59 Cb 0.98 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.12 1aab h PHE 59 CO 0.00 0.57 -0.23 0.93 -0.60 0.00 0.00 178.31 178.98 1aab h GLU 60 N 0.00 0.00 0.02 1.51 4.39 -0.88 -2.19 114.58 117.42 1aab h GLU 60 Ca -0.04 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.46 1aab h GLU 60 Cb 1.47 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.10 1aab h GLU 60 CO 0.07 0.23 -0.93 0.22 -1.16 0.00 0.00 179.01 177.44 1aab h ASP 61 N 0.00 0.19 0.04 1.42 1.82 -1.18 -1.94 116.42 116.77 1aab h ASP 61 Ca -0.00 -0.17 -0.00 0.00 -0.39 0.00 0.00 57.03 56.47 1aab h ASP 61 Cb 0.88 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.83 1aab h ASP 61 CO 0.03 1.02 -0.02 0.24 -1.61 0.00 0.00 179.24 178.90 1aab h MET 62 N 0.07 -0.05 -0.13 0.28 2.86 -1.32 -1.09 114.93 115.55 1aab h MET 62 Ca -0.04 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.64 1aab h MET 62 Cb 1.59 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.25 1aab h MET 62 CO 0.14 0.54 0.10 0.00 1.06 0.00 0.00 176.91 178.74 1aab h ALA 63 N 0.24 2.09 0.00 6.32 0.00 -1.47 0.41 119.26 126.84 1aab h ALA 63 Ca -0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1aab h ALA 63 Cb 0.60 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1aab h ALA 63 CO 0.01 -0.16 -0.55 -0.22 0.00 0.00 0.00 179.25 178.32 1aab h LYS 64 N 0.00 0.00 -0.11 0.00 3.64 -1.17 -1.12 116.57 117.81 1aab h LYS 64 Ca 0.06 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.21 1aab h LYS 64 Cb 0.26 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1aab h LYS 64 CO -0.00 0.55 -0.84 0.00 -2.27 0.00 0.00 179.45 176.89 1aab h ALA 65 N 1.45 0.28 0.00 5.00 0.00 0.10 -2.82 119.26 123.27 1aab h ALA 65 Ca -0.01 -0.63 -0.08 0.00 0.00 0.00 0.00 54.91 54.20 1aab h ALA 65 Cb 1.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1aab h ALA 65 CO 0.07 0.69 -0.37 0.22 0.00 0.00 0.00 179.25 179.87 1aab h ASP 66 N 0.49 0.00 -0.70 0.00 3.58 -0.88 -2.38 116.42 116.52 1aab h ASP 66 Ca -0.07 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.41 1aab h ASP 66 Cb 1.48 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.48 1aab h ASP 66 CO 0.17 0.37 0.44 0.50 -2.88 0.00 0.00 179.24 177.83 1aab h LYS 67 N 0.00 0.82 -0.50 0.28 3.64 -0.95 -0.60 116.57 119.25 1aab h LYS 67 Ca -0.00 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 1aab h LYS 67 Cb 0.73 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1aab h LYS 67 CO 0.05 0.55 0.02 0.00 -2.27 0.00 0.00 179.45 177.80 1aab h ALA 68 N 1.31 0.68 0.00 5.00 0.00 -1.33 -2.06 119.26 122.85 1aab h ALA 68 Ca 0.28 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1aab h ALA 68 Cb 0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1aab h ALA 68 CO -0.11 0.47 -0.01 0.00 0.00 0.00 0.00 179.25 179.60 1aab h ARG 69 N 0.74 0.00 0.00 0.00 2.47 -1.02 0.33 114.38 116.90 1aab h ARG 69 Ca 0.15 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.86 1aab h ARG 69 Cb 0.49 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 1aab h ARG 69 CO 0.02 0.01 -0.03 -0.92 0.56 0.00 0.00 179.97 179.61 1aab h TYR 70 N 0.00 0.02 0.00 3.04 5.03 -0.47 -3.16 116.97 121.43 1aab h TYR 70 Ca -0.00 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.30 1aab h TYR 70 Cb 0.01 -0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.29 1aab h TYR 70 CO 0.00 0.90 0.00 0.93 -1.32 0.00 0.00 178.16 178.67 1aab h GLU 71 N -0.86 0.00 0.00 1.82 5.08 -1.06 -3.18 114.58 116.39 1aab h GLU 71 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1aab h GLU 71 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1aab h GLU 71 CO 0.01 0.00 0.00 -2.13 -1.00 0.00 0.00 179.01 175.89 1aab n ARG 72 N -2.46 0.00 0.00 2.33 3.00 0.11 -3.58 116.66 116.06 1aab n ARG 72 Ca 0.04 0.41 0.00 0.00 -0.00 0.00 0.00 57.85 58.29 1aab n ARG 72 Cb 0.38 -1.06 0.00 0.00 0.00 0.00 0.00 32.46 31.78 1aab n ARG 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1aab n GLU 73 N -1.72 0.46 -0.04 -0.14 1.02 -1.19 -3.55 120.64 115.48 1aab n GLU 73 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 1aab n GLU 73 Cb 0.00 -1.15 -0.06 0.00 -0.02 0.00 0.00 31.44 30.21 1aab n GLU 73 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 1aab h MET 74 N 0.34 0.24 0.00 3.49 4.05 -1.60 0.83 114.93 122.28 1aab h MET 74 Ca 0.00 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 1aab h MET 74 Cb 0.15 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 1aab h MET 74 CO 0.00 0.45 0.00 1.63 0.23 0.00 0.00 176.91 179.22 1aab n LYS 75 N -4.79 0.58 0.00 0.39 5.02 -1.23 -2.55 118.16 115.59 1aab n LYS 75 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1aab n LYS 75 Cb 0.20 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 1aab n LYS 75 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1aab n THR 76 N -0.51 0.00 0.26 -0.18 -2.24 -0.77 -4.79 114.28 106.05 1aab n THR 76 Ca 0.00 -0.05 0.11 0.00 -2.27 0.00 0.00 64.05 61.84 1aab n THR 76 Cb 0.00 1.03 0.70 0.00 -2.10 0.00 0.00 70.33 69.96 1aab n THR 76 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1aab h TYR 77 N 0.00 0.00 -0.05 4.78 3.20 0.95 -3.44 116.97 122.41 1aab h TYR 77 Ca 0.00 0.00 -0.56 0.00 3.14 0.00 0.00 58.73 61.31 1aab h TYR 77 Cb 0.01 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 1aab h TYR 77 CO 0.00 0.12 0.92 -0.89 -1.64 0.00 0.00 178.16 176.67 1aab n ILE 78 N -3.83 0.00 -0.55 1.81 -0.00 -1.26 -4.86 119.36 110.66 1aab n ILE 78 Ca -0.02 0.00 -0.30 0.00 -0.00 0.00 0.00 62.75 62.43 1aab n ILE 78 Cb 0.22 -0.36 0.22 0.00 -0.00 0.00 0.00 39.64 39.72 1aab n ILE 78 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 1aab n PRO 79 N 5.26 -1.88 0.00 0.38 -0.02 -1.26 -5.02 135.00 132.46 1aab n PRO 79 Ca 0.39 -0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1aab n PRO 79 Cb -0.03 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1aab n PRO 79 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1aab n PRO 80 N -4.27 1.52 -1.77 0.52 -0.04 -1.26 -4.69 135.00 125.00 1aab n PRO 80 Ca 0.05 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.31 1aab n PRO 80 Cb 0.55 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.92 1aab n PRO 80 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1aab s LYS 81 N 0.00 1.76 0.00 0.54 1.02 -1.26 -3.67 119.74 118.13 1aab s LYS 81 Ca 0.00 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 55.58 1aab s LYS 81 Cb 0.00 -5.02 0.00 0.00 -0.52 0.00 0.00 37.83 32.29 1aab s LYS 81 CO 0.00 -4.65 0.00 0.41 -0.92 0.00 0.00 175.35 170.19 1aab n GLY 82 N 6.29 0.00 0.00 -3.33 0.00 -1.26 -5.35 105.19 101.54 1aab n GLY 82 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1aab n GLY 82 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11