#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aab h LYS 2 N 0.00 0.08 0.00 1.61 1.57 -2.13 -3.48 116.57 114.22 1aab h LYS 2 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1aab h LYS 2 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1aab h LYS 2 CO 0.00 0.05 0.00 0.41 -0.57 0.00 0.00 179.45 179.34 1aab n GLY 3 N -1.21 -1.25 2.62 3.86 0.00 -1.26 -5.04 105.19 102.92 1aab n GLY 3 Ca -0.01 0.55 -0.12 0.00 0.00 0.00 0.00 46.02 46.44 1aab n GLY 3 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1aab n ASP 4 N 0.00 -2.19 0.00 1.61 8.00 -1.26 -4.97 116.55 117.74 1aab n ASP 4 Ca 0.00 -3.17 0.00 0.00 0.71 0.00 0.00 54.79 52.33 1aab n ASP 4 Cb 0.00 1.27 0.00 0.00 -0.02 0.00 0.00 41.12 42.37 1aab n ASP 4 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1aab n PRO 5 N 1.58 0.00 0.00 -0.24 -0.02 -1.26 -1.23 135.00 133.84 1aab n PRO 5 Ca 0.12 0.33 0.06 0.00 -2.02 0.00 0.00 63.50 61.98 1aab n PRO 5 Cb 0.61 -1.58 0.32 0.00 -0.02 0.00 0.00 33.50 32.83 1aab n PRO 5 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1aab n LYS 6 N -1.31 0.29 -2.15 -0.52 4.76 -1.26 -4.71 118.16 113.26 1aab n LYS 6 Ca 0.00 0.06 -0.32 0.00 -2.87 0.00 0.00 58.31 55.18 1aab n LYS 6 Cb 0.08 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.76 1aab n LYS 6 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1aab s LYS 7 N -2.20 3.61 0.33 1.97 1.02 -0.36 -4.98 119.74 119.13 1aab s LYS 7 Ca 0.15 1.02 -0.29 0.00 0.02 0.00 0.00 55.97 56.87 1aab s LYS 7 Cb 0.08 -2.08 -0.12 0.00 -0.52 0.00 0.00 37.83 35.19 1aab s LYS 7 CO 0.14 -0.56 1.39 -0.35 -0.92 0.00 0.00 175.35 175.06 1aab n PRO 8 N -1.99 2.33 0.00 -1.68 -0.04 -1.26 -4.94 135.00 127.42 1aab n PRO 8 Ca 0.07 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.35 1aab n PRO 8 Cb 0.54 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 1aab n PRO 8 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1aab n ARG 9 N 0.87 0.00 0.00 0.54 0.63 -1.26 -4.98 116.66 112.46 1aab n ARG 9 Ca 0.05 0.12 0.00 0.00 -0.92 0.00 0.00 57.85 57.10 1aab n ARG 9 Cb 0.36 -1.10 0.00 0.00 0.45 0.00 0.00 32.46 32.18 1aab n ARG 9 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1aab n GLY 10 N -0.62 0.74 3.57 5.14 0.00 -1.26 -5.09 105.19 107.67 1aab n GLY 10 Ca 0.00 0.53 -0.52 0.00 0.00 0.00 0.00 46.02 46.02 1aab n GLY 10 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1aab n LYS 11 N 0.00 1.32 -2.26 1.61 -0.00 -1.26 -4.93 118.16 112.63 1aab n LYS 11 Ca 0.00 0.43 -0.28 0.00 -0.00 0.00 0.00 58.31 58.47 1aab n LYS 11 Cb 0.00 -2.38 0.03 0.00 -0.00 0.00 0.00 35.03 32.68 1aab n LYS 11 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1aab s MET 12 N 4.99 2.97 0.83 -1.58 -1.94 -1.26 -4.98 119.30 118.33 1aab s MET 12 Ca 1.03 0.15 -0.12 0.00 -1.71 0.00 0.00 55.69 55.04 1aab s MET 12 Cb -0.89 -2.21 0.09 0.00 2.01 0.00 0.00 34.83 33.83 1aab s MET 12 CO 0.55 -0.75 1.17 -1.12 -0.01 0.00 0.00 175.02 174.86 1aab s SER 13 N -4.30 4.27 0.29 3.03 0.01 -1.26 -4.66 113.70 111.08 1aab s SER 13 Ca 0.55 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.61 1aab s SER 13 Cb -0.11 -1.30 0.44 0.00 0.21 0.00 0.00 66.02 65.27 1aab s SER 13 CO 0.47 -2.06 1.83 0.77 0.41 0.00 0.00 173.24 174.67 1aab h SER 14 N -1.16 0.70 0.08 2.44 4.64 -1.92 -0.50 113.55 117.83 1aab h SER 14 Ca -0.47 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 60.72 1aab h SER 14 Cb 1.33 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1aab h SER 14 CO 0.65 0.72 -0.04 0.22 -0.87 0.00 0.00 176.83 177.50 1aab h TYR 15 N 0.72 -0.10 -0.52 4.77 3.20 -1.92 -2.90 116.97 120.22 1aab h TYR 15 Ca 0.16 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.18 1aab h TYR 15 Cb 0.31 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 1aab h TYR 15 CO 0.02 0.41 0.41 0.00 -1.64 0.00 0.00 178.16 177.35 1aab h ALA 16 N 0.12 2.41 -0.31 1.82 0.00 -1.89 0.36 119.26 121.77 1aab h ALA 16 Ca -0.01 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1aab h ALA 16 Cb 0.55 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1aab h ALA 16 CO 0.02 -0.68 -0.27 0.74 0.00 0.00 0.00 179.25 179.06 1aab h PHE 17 N 0.00 0.71 0.00 0.00 0.04 -0.89 -1.43 116.94 115.36 1aab h PHE 17 Ca 0.25 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.85 1aab h PHE 17 Cb 1.07 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 39.05 1aab h PHE 17 CO 0.00 0.83 0.00 0.35 -0.60 0.00 0.00 178.31 178.89 1aab h PHE 18 N 0.54 0.00 0.07 -0.55 3.04 -0.16 -2.98 116.94 116.90 1aab h PHE 18 Ca 0.07 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.90 1aab h PHE 18 Cb 0.74 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.26 1aab h PHE 18 CO 0.03 0.00 -0.55 0.28 -2.02 0.00 0.00 178.31 176.05 1aab h VAL 19 N 0.00 1.56 0.00 1.41 2.07 -0.30 -1.17 116.25 119.81 1aab h VAL 19 Ca 0.00 -2.43 -0.00 0.00 0.82 0.00 0.00 66.70 65.09 1aab h VAL 19 Cb 0.64 3.18 -0.00 0.00 -1.52 0.00 0.00 31.29 33.60 1aab h VAL 19 CO 0.00 0.65 -0.02 0.06 0.02 0.00 0.00 177.57 178.28 1aab h GLN 20 N -0.67 0.00 0.01 1.57 3.07 -1.36 1.11 115.11 118.84 1aab h GLN 20 Ca -0.11 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.42 1aab h GLN 20 Cb 1.36 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.90 1aab h GLN 20 CO 0.06 0.02 -1.01 1.15 0.09 0.00 0.00 178.83 179.13 1aab h THR 21 N 0.00 1.70 0.00 1.86 2.02 -1.48 -2.99 112.91 114.02 1aab h THR 21 Ca -0.00 -3.39 0.00 0.00 0.77 0.00 0.00 66.41 63.79 1aab h THR 21 Cb 0.07 2.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 1aab h THR 21 CO 0.00 0.97 -0.64 -1.28 0.37 0.00 0.00 175.52 174.95 1aab h SER 22 N 0.00 0.00 -0.03 4.18 0.87 0.10 -3.33 113.55 115.35 1aab h SER 22 Ca -0.02 -0.15 -0.24 0.00 -1.23 0.00 0.00 61.79 60.16 1aab h SER 22 Cb 1.77 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.75 1aab h SER 22 CO 0.13 0.07 -0.91 -0.09 -0.53 0.00 0.00 176.83 175.51 1aab h ARG 23 N 0.00 0.66 -0.06 2.24 2.43 0.11 -1.92 114.38 117.84 1aab h ARG 23 Ca 0.00 -0.68 -0.04 0.00 -0.81 0.00 0.00 59.98 58.45 1aab h ARG 23 Cb 0.81 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 1aab h ARG 23 CO 0.00 1.27 -0.16 0.93 -1.51 0.00 0.00 179.97 180.50 1aab h GLU 24 N 0.32 0.09 0.01 0.20 4.39 -1.64 0.83 114.58 118.78 1aab h GLU 24 Ca -0.11 -0.02 -0.21 0.00 0.34 0.00 0.00 59.36 59.37 1aab h GLU 24 Cb 1.57 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.20 1aab h GLU 24 CO 0.18 0.25 -0.92 1.49 -1.16 0.00 0.00 179.01 178.86 1aab h GLU 25 N 0.09 0.24 0.00 2.33 4.81 -1.65 -3.12 114.58 117.28 1aab h GLU 25 Ca 0.02 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1aab h GLU 25 Cb 0.34 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1aab h GLU 25 CO 0.02 1.01 -0.42 1.25 -0.73 0.00 0.00 179.01 180.14 1aab h HIS 26 N 0.13 0.00 0.00 0.92 2.76 -0.46 -3.24 115.15 115.26 1aab h HIS 26 Ca -0.06 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 1aab h HIS 26 Cb 1.56 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.52 1aab h HIS 26 CO 0.04 0.00 0.00 1.17 -1.30 0.00 0.00 177.93 177.84 1aab n LYS 27 N -2.41 0.08 0.00 5.26 4.81 0.28 -2.41 118.16 123.77 1aab n LYS 27 Ca 0.03 0.19 0.14 0.00 -0.87 0.00 0.00 58.31 57.80 1aab n LYS 27 Cb 0.47 -1.50 0.51 0.00 0.02 0.00 0.00 35.03 34.53 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 -1.43 0.36 -2.70 1.64 5.02 -1.22 -4.45 118.16 115.38 1aab n LYS 28 Ca 0.05 -0.13 -0.07 0.00 -2.02 0.00 0.00 58.31 56.14 1aab n LYS 28 Cb 0.17 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 33.78 1aab n LYS 28 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1aab n LYS 29 N -1.20 1.00 -2.91 1.97 2.85 -1.01 -5.03 118.16 113.82 1aab n LYS 29 Ca 0.10 -1.64 -0.13 0.00 -1.05 0.00 0.00 58.31 55.59 1aab n LYS 29 Cb 0.31 -0.15 0.02 0.00 -0.65 0.00 0.00 35.03 34.56 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 -0.45 -1.97 0.13 5.58 8.25 -1.20 -4.96 115.22 120.60 1aab n HIS 30 Ca -0.06 -2.61 -0.00 0.00 -0.26 0.00 0.00 57.72 54.79 1aab n HIS 30 Cb 0.80 0.83 0.10 0.00 1.12 0.00 0.00 29.99 32.84 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 3.54 0.00 0.17 -0.41 0.13 -1.91 -3.30 132.00 130.22 1aab h PRO 31 Ca -0.05 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.77 1aab h PRO 31 Cb 1.01 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.15 1aab h PRO 31 CO 0.33 0.64 -1.53 0.22 -0.23 0.00 0.00 178.00 177.43 1aab h ASP 32 N 0.00 0.56 -0.90 1.44 1.82 -2.01 -3.32 116.42 114.00 1aab h ASP 32 Ca -0.01 -0.71 0.13 0.00 -0.39 0.00 0.00 57.03 56.06 1aab h ASP 32 Cb 1.30 -0.18 -0.07 0.00 0.68 0.00 0.00 39.33 41.05 1aab h ASP 32 CO 0.08 1.58 0.58 0.00 -1.61 0.00 0.00 179.24 179.87 1aab h ALA 33 N 0.34 1.76 0.00 -0.78 0.00 -1.96 -3.44 119.26 115.18 1aab h ALA 33 Ca -0.25 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1aab h ALA 33 Cb 2.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1aab h ALA 33 CO 0.20 0.00 0.00 0.45 0.00 0.00 0.00 179.25 179.90 1aab n SER 34 N -4.57 0.00 -3.06 0.00 2.88 -1.25 -4.33 113.62 103.30 1aab n SER 34 Ca 0.17 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.63 1aab n SER 34 Cb 0.43 -0.44 0.01 0.00 -0.75 0.00 0.00 64.21 63.46 1aab n SER 34 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1aab n VAL 35 N -1.57 -6.77 -0.51 2.46 0.31 -1.26 -4.87 118.33 106.11 1aab n VAL 35 Ca 0.00 0.90 0.06 0.00 -0.01 0.00 0.00 64.34 65.29 1aab n VAL 35 Cb 0.00 -4.94 0.33 0.00 -0.91 0.00 0.00 33.84 28.32 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 0.61 4.79 -0.60 4.52 3.02 -1.26 -4.86 115.26 121.47 1aab n ASN 36 Ca 0.00 -2.72 -0.06 0.00 -0.03 0.00 0.00 54.58 51.78 1aab n ASN 36 Cb 0.38 -0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 38.88 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 0.56 -0.15 0.00 3.10 3.72 -1.26 -4.55 117.46 118.88 1aab n PHE 37 Ca 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.63 1aab n PHE 37 Cb 1.00 -1.96 0.00 0.00 -0.94 0.00 0.00 39.48 37.57 1aab n PHE 37 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1aab n SER 38 N 0.00 4.21 -0.11 4.37 2.88 -1.26 -4.43 113.62 119.27 1aab n SER 38 Ca -0.06 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.35 1aab n SER 38 Cb 0.38 0.16 -0.14 0.00 -0.75 0.00 0.00 64.21 63.86 1aab n SER 38 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1aab n GLU 39 N -2.29 0.69 -0.00 -1.46 1.02 -1.26 -4.20 120.64 113.13 1aab n GLU 39 Ca 0.00 0.06 -0.11 0.00 -0.02 0.00 0.00 57.16 57.09 1aab n GLU 39 Cb 0.48 -1.51 -0.09 0.00 -0.02 0.00 0.00 31.44 30.30 1aab n GLU 39 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1aab h PHE 40 N 0.00 -0.09 -0.24 -0.32 3.57 -1.91 -3.12 116.94 114.83 1aab h PHE 40 Ca -0.56 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.01 1aab h PHE 40 Cb 2.08 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.84 1aab h PHE 40 CO 0.01 0.49 0.41 0.77 -2.23 0.00 0.00 178.31 177.76 1aab h SER 41 N -0.82 0.00 0.31 0.41 0.02 -1.80 0.80 113.55 112.47 1aab h SER 41 Ca -0.01 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 1aab h SER 41 Cb 0.61 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 1aab h SER 41 CO 0.02 0.00 -0.30 0.50 -1.14 0.00 0.00 176.83 175.91 1aab h LYS 42 N 0.00 0.00 0.07 3.45 3.64 -1.71 0.20 116.57 122.22 1aab h LYS 42 Ca 0.11 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.39 1aab h LYS 42 Cb 0.93 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.76 1aab h LYS 42 CO -0.00 0.30 -0.46 -0.22 -2.27 0.00 0.00 179.45 176.80 1aab h LYS 43 N 0.00 0.15 -0.32 1.90 3.64 0.53 -3.18 116.57 119.28 1aab h LYS 43 Ca -0.00 -0.26 -0.09 0.00 -1.27 0.00 0.00 60.65 59.03 1aab h LYS 43 Cb 0.54 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 1aab h LYS 43 CO 0.04 1.12 -0.16 0.00 -2.27 0.00 0.00 179.45 178.18 1aab h SER 45 N 0.53 0.18 0.34 0.00 4.64 -0.73 0.59 113.55 119.10 1aab h SER 45 Ca 0.09 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1aab h SER 45 Cb 0.59 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1aab h SER 45 CO 0.04 0.14 0.00 -0.08 -0.87 0.00 0.00 176.83 176.06 1aab h GLU 46 N 0.28 0.00 -0.01 4.77 4.81 -1.47 0.13 114.58 123.10 1aab h GLU 46 Ca 0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1aab h GLU 46 Cb 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1aab h GLU 46 CO -0.12 0.00 -0.48 -2.13 -0.73 0.00 0.00 179.01 175.55 1aab n ARG 47 N -2.76 0.76 -0.04 1.92 0.63 0.17 -4.10 116.66 113.23 1aab n ARG 47 Ca -0.01 -0.56 -0.08 0.00 -0.92 0.00 0.00 57.85 56.28 1aab n ARG 47 Cb 0.14 -1.49 -0.03 0.00 0.45 0.00 0.00 32.46 31.53 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 -0.64 0.00 0.17 -0.14 -0.00 0.11 -4.50 117.44 112.43 1aab n TRP 48 Ca 0.09 0.00 0.06 0.00 -0.00 0.00 0.00 57.50 57.65 1aab n TRP 48 Cb 0.39 -0.35 0.33 0.00 -0.00 0.00 0.00 31.31 31.68 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 -0.55 0.00 -0.04 5.87 1.57 -1.08 0.19 116.57 122.53 1aab h LYS 49 Ca -0.11 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.44 1aab h LYS 49 Cb 0.77 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.10 1aab h LYS 49 CO -0.07 0.00 -0.90 0.00 -0.57 0.00 0.00 179.45 177.91 1aab h THR 50 N 0.00 1.30 -2.61 -0.16 1.03 -1.76 -3.46 112.91 107.26 1aab h THR 50 Ca 0.00 -2.14 -0.40 0.00 -0.01 0.00 0.00 66.41 63.86 1aab h THR 50 Cb 0.69 2.32 0.21 0.00 -1.07 0.00 0.00 68.15 70.29 1aab h THR 50 CO 0.00 0.66 -0.49 0.23 -0.01 0.00 0.00 175.52 175.91 1aab n MET 51 N -3.94 -2.63 0.00 0.00 2.81 0.67 -5.01 117.12 109.02 1aab n MET 51 Ca -0.10 -0.76 0.00 0.00 -1.81 0.00 0.00 57.70 55.03 1aab n MET 51 Cb 0.81 -1.85 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 1aab n MET 51 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1aab n SER 52 N -3.41 0.00 0.00 7.83 7.64 -1.26 -5.00 113.62 119.42 1aab n SER 52 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1aab n SER 52 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1aab n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aab n ALA 53 N -2.10 0.00 -0.13 -0.43 0.00 -1.26 -4.82 120.51 111.77 1aab n ALA 53 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1aab n ALA 53 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1aab n ALA 53 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1aab h LYS 54 N 0.00 0.58 -0.07 0.00 2.10 -1.97 0.90 116.57 118.10 1aab h LYS 54 Ca 0.00 -0.12 -0.05 0.00 -2.00 0.00 0.00 60.65 58.49 1aab h LYS 54 Cb 0.00 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.24 1aab h LYS 54 CO 0.00 0.57 -0.14 0.93 -2.00 0.00 0.00 179.45 178.82 1aab h GLU 55 N 0.47 0.22 0.00 0.07 5.08 -1.97 -1.27 114.58 117.18 1aab h GLU 55 Ca 0.12 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1aab h GLU 55 Cb 0.22 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1aab h GLU 55 CO -0.01 0.72 0.00 1.63 -1.00 0.00 0.00 179.01 180.35 1aab n LYS 56 N -4.62 0.21 0.03 2.33 5.02 -1.12 -2.74 118.16 117.27 1aab n LYS 56 Ca -0.08 0.12 -0.08 0.00 -2.02 0.00 0.00 58.31 56.26 1aab n LYS 56 Cb 0.37 -1.50 -0.06 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 1.59 -0.20 2.00 0.72 0.00 0.21 -1.18 103.07 106.20 1aab h GLY 57 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1aab h GLY 57 CO 0.00 -0.07 0.00 0.58 0.00 0.00 0.00 176.54 177.05 1aab n LYS 58 N -4.88 0.05 0.01 4.80 -0.00 -1.11 -0.99 118.16 116.04 1aab n LYS 58 Ca -0.06 0.35 -0.09 0.00 -0.00 0.00 0.00 58.31 58.52 1aab n LYS 58 Cb 0.21 -1.60 -0.13 0.00 -0.00 0.00 0.00 35.03 33.50 1aab n LYS 58 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 1aab h PHE 59 N 0.00 0.04 0.00 5.58 0.04 -1.54 -3.00 116.94 118.05 1aab h PHE 59 Ca 0.00 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 1aab h PHE 59 Cb 0.21 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.36 1aab h PHE 59 CO 0.00 1.04 -0.10 0.93 -0.60 0.00 0.00 178.31 179.58 1aab h GLU 60 N 0.01 0.00 0.23 1.51 4.39 0.24 -2.33 114.58 118.63 1aab h GLU 60 Ca -0.20 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.18 1aab h GLU 60 Cb 1.94 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 30.62 1aab h GLU 60 CO 0.10 0.10 -1.44 0.22 -1.16 0.00 0.00 179.01 176.83 1aab h ASP 61 N 0.00 0.80 -0.13 1.42 1.82 -1.37 -2.78 116.42 116.18 1aab h ASP 61 Ca -0.00 -0.85 -0.02 0.00 -0.39 0.00 0.00 57.03 55.77 1aab h ASP 61 Cb 0.64 -0.26 -0.00 0.00 0.68 0.00 0.00 39.33 40.39 1aab h ASP 61 CO 0.01 1.66 0.01 0.24 -1.61 0.00 0.00 179.24 179.55 1aab h MET 62 N 0.15 0.23 -0.04 0.28 2.86 -1.35 0.14 114.93 117.20 1aab h MET 62 Ca -0.24 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.35 1aab h MET 62 Cb 2.13 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 33.77 1aab h MET 62 CO 0.27 0.45 0.03 0.00 1.06 0.00 0.00 176.91 178.72 1aab h ALA 63 N 0.77 1.96 0.00 6.32 0.00 -1.53 0.90 119.26 127.69 1aab h ALA 63 Ca 0.04 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1aab h ALA 63 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1aab h ALA 63 CO 0.01 -0.06 -0.70 0.87 0.00 0.00 0.00 179.25 179.37 1aab h LYS 64 N 0.00 0.00 -0.11 0.00 1.57 -1.08 -2.30 116.57 114.65 1aab h LYS 64 Ca 0.02 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.66 1aab h LYS 64 Cb 0.09 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.40 1aab h LYS 64 CO -0.00 0.70 -0.49 0.00 -0.57 0.00 0.00 179.45 179.09 1aab h ALA 65 N 1.30 0.21 -0.25 3.86 0.00 0.16 -2.98 119.26 121.55 1aab h ALA 65 Ca -0.01 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 1aab h ALA 65 Cb 1.44 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1aab h ALA 65 CO 0.09 0.38 -0.13 0.22 0.00 0.00 0.00 179.25 179.81 1aab h ASP 66 N 0.13 0.39 -0.97 0.00 1.82 -1.15 -1.96 116.42 114.68 1aab h ASP 66 Ca -0.03 -0.10 0.14 0.00 -0.39 0.00 0.00 57.03 56.65 1aab h ASP 66 Cb 1.13 -0.10 -0.08 0.00 0.68 0.00 0.00 39.33 40.95 1aab h ASP 66 CO 0.10 0.56 0.62 0.50 -1.61 0.00 0.00 179.24 179.41 1aab h LYS 67 N 0.38 0.86 -0.08 0.28 3.64 -1.26 0.18 116.57 120.58 1aab h LYS 67 Ca 0.07 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.20 1aab h LYS 67 Cb 0.46 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1aab h LYS 67 CO 0.03 0.57 -0.78 0.00 -2.27 0.00 0.00 179.45 176.99 1aab h ALA 68 N 1.57 0.49 0.00 5.00 0.00 -1.28 -2.62 119.26 122.42 1aab h ALA 68 Ca 0.50 -0.63 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1aab h ALA 68 Cb 0.61 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1aab h ALA 68 CO -0.26 0.76 -0.25 0.00 0.00 0.00 0.00 179.25 179.49 1aab h ARG 69 N 0.32 0.00 0.13 0.00 2.47 -0.67 -0.43 114.38 116.20 1aab h ARG 69 Ca -0.05 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.38 1aab h ARG 69 Cb 1.38 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 29.73 1aab h ARG 69 CO 0.14 0.25 -1.22 -0.92 0.56 0.00 0.00 179.97 178.78 1aab h TYR 70 N 0.00 0.97 0.04 3.04 3.20 -0.61 -3.14 116.97 120.47 1aab h TYR 70 Ca -0.00 -0.62 -0.00 0.00 3.14 0.00 0.00 58.73 61.24 1aab h TYR 70 Cb 0.68 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.88 1aab h TYR 70 CO 0.00 1.47 -0.02 0.93 -1.64 0.00 0.00 178.16 178.90 1aab h GLU 71 N 0.20 -0.06 -1.04 1.82 4.39 -1.32 -1.96 114.58 116.61 1aab h GLU 71 Ca -0.19 0.00 0.27 0.00 0.34 0.00 0.00 59.36 59.78 1aab h GLU 71 Cb 1.90 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 30.48 1aab h GLU 71 CO 0.23 0.59 0.67 -0.09 -1.16 0.00 0.00 179.01 179.26 1aab h ARG 72 N -0.82 0.36 0.10 2.33 9.65 -1.22 0.80 114.38 125.57 1aab h ARG 72 Ca -0.01 -0.02 -0.28 0.00 -1.10 0.00 0.00 59.98 58.57 1aab h ARG 72 Cb 0.67 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.16 1aab h ARG 72 CO 0.01 0.24 -1.40 0.93 2.80 0.00 0.00 179.97 182.54 1aab h GLU 73 N 0.37 0.21 -0.50 0.20 5.08 -1.59 -3.33 114.58 115.01 1aab h GLU 73 Ca 0.58 -0.36 -0.09 0.00 -1.00 0.00 0.00 59.36 58.49 1aab h GLU 73 Cb 1.53 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.89 1aab h GLU 73 CO -0.27 1.09 -0.06 1.98 -1.00 0.00 0.00 179.01 180.74 1aab h MET 74 N 0.06 0.88 -0.45 2.33 4.05 -0.11 -0.04 114.93 121.65 1aab h MET 74 Ca -0.19 -0.28 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 1aab h MET 74 Cb 1.97 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 32.70 1aab h MET 74 CO 0.16 0.92 0.00 1.63 0.23 0.00 0.00 176.91 179.85 1aab n LYS 75 N -4.17 0.88 0.00 0.39 5.02 -0.14 -3.19 118.16 116.96 1aab n LYS 75 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1aab n LYS 75 Cb 0.36 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 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 -0.21 0.00 0.00 -0.18 -2.24 -0.86 -5.04 114.28 105.74 1aab n THR 76 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1aab n THR 76 Cb 0.11 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 1aab n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aab n TYR 77 N 0.00 0.00 -2.98 4.78 9.36 -0.08 -5.00 117.16 123.23 1aab n TYR 77 Ca 0.00 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.21 1aab n TYR 77 Cb 0.09 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.80 1aab n TYR 77 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1aab n ILE 78 N 0.00 -5.30 -0.86 2.97 -0.00 -1.26 -4.94 119.36 109.96 1aab n ILE 78 Ca 0.00 0.97 -0.29 0.00 -0.00 0.00 0.00 62.75 63.43 1aab n ILE 78 Cb 0.00 -4.16 0.20 0.00 -0.00 0.00 0.00 39.64 35.69 1aab n ILE 78 CO 0.00 0.00 0.00 -2.84 -0.00 0.00 0.00 176.55 173.71 1aab s PRO 79 N -0.80 -0.02 0.00 0.38 0.02 -1.26 -5.02 135.00 128.29 1aab s PRO 79 Ca -0.04 0.78 0.00 0.00 0.02 0.00 0.00 61.00 61.76 1aab s PRO 79 Cb 0.00 -1.66 0.00 0.00 0.02 0.00 0.00 34.50 32.86 1aab s PRO 79 CO 0.27 -3.10 0.00 -0.35 -0.33 0.00 0.00 177.00 173.49 1aab n PRO 80 N -4.47 0.06 -0.18 5.54 -0.04 -1.26 -4.79 135.00 129.86 1aab n PRO 80 Ca 0.05 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.49 1aab n PRO 80 Cb 0.55 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.03 1aab n PRO 80 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1aab n LYS 81 N -0.66 1.12 -3.26 0.54 4.76 -1.26 -4.83 118.16 114.56 1aab n LYS 81 Ca 0.00 -0.27 -0.12 0.00 -2.87 0.00 0.00 58.31 55.06 1aab n LYS 81 Cb 0.00 -1.11 0.01 0.00 -1.84 0.00 0.00 35.03 32.09 1aab n LYS 81 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1aab n GLY 82 N 0.49 -1.14 0.00 0.72 0.00 -1.26 -5.37 105.19 98.63 1aab n GLY 82 Ca 0.05 0.71 0.12 0.00 0.00 0.00 0.00 46.02 46.91 1aab n GLY 82 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48