#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 0.00 -3.55 1.61 5.02 -1.26 -5.11 118.16 114.87 1aab n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1aab n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1aab n LYS 2 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aab n GLY 3 N 3.81 -0.99 3.73 0.72 0.00 -1.26 -5.06 105.19 106.13 1aab n GLY 3 Ca 0.00 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 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 0.98 -5.23 -4.56 1.61 9.92 -1.26 -4.80 116.55 113.21 1aab n ASP 4 Ca 0.00 -1.00 -0.32 0.00 -0.53 0.00 0.00 54.79 52.94 1aab n ASP 4 Cb 0.00 -2.96 -0.04 0.00 -0.64 0.00 0.00 41.12 37.48 1aab n ASP 4 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1aab s PRO 5 N -5.93 2.85 -1.53 -0.24 0.04 -1.26 -3.86 135.00 125.07 1aab s PRO 5 Ca 0.39 -0.44 -0.14 0.00 0.04 0.00 0.00 61.00 60.84 1aab s PRO 5 Cb -0.16 -5.07 0.10 0.00 0.04 0.00 0.00 34.50 29.42 1aab s PRO 5 CO 0.88 -2.98 0.80 1.63 0.04 0.00 0.00 177.00 177.36 1aab n LYS 6 N 8.90 -4.25 -1.16 4.56 5.02 -1.26 -4.90 118.16 125.07 1aab n LYS 6 Ca 0.36 0.50 -0.34 0.00 -2.02 0.00 0.00 58.31 56.81 1aab n LYS 6 Cb 0.48 -5.31 0.12 0.00 -0.02 0.00 0.00 35.03 30.31 1aab n LYS 6 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1aab s LYS 7 N -6.55 1.69 0.70 1.97 1.02 -1.25 -4.91 119.74 112.41 1aab s LYS 7 Ca 0.62 1.80 -0.16 0.00 0.02 0.00 0.00 55.97 58.25 1aab s LYS 7 Cb -0.32 -1.78 -0.03 0.00 -0.52 0.00 0.00 37.83 35.18 1aab s LYS 7 CO 0.77 -2.18 0.72 -2.30 -0.92 0.00 0.00 175.35 171.43 1aab n PRO 8 N -3.18 0.44 0.00 -1.68 -0.02 -1.26 -4.93 135.00 124.37 1aab n PRO 8 Ca 0.14 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1aab n PRO 8 Cb 0.50 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1aab n PRO 8 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1aab n ARG 9 N -1.10 0.00 0.00 -0.52 0.63 -1.26 -4.92 116.66 109.49 1aab n ARG 9 Ca 0.12 0.38 0.00 0.00 -0.92 0.00 0.00 57.85 57.42 1aab n ARG 9 Cb 0.49 -1.23 0.00 0.00 0.45 0.00 0.00 32.46 32.17 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 -0.81 0.00 3.51 5.14 0.00 -1.26 -5.00 105.19 106.77 1aab n GLY 10 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.45 -1.56 1.61 4.81 -1.26 -4.94 118.16 115.37 1aab n LYS 11 Ca 0.00 0.74 -0.31 0.00 -0.87 0.00 0.00 58.31 57.86 1aab n LYS 11 Cb 0.00 -4.51 0.06 0.00 0.02 0.00 0.00 35.03 30.60 1aab n LYS 11 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1aab s MET 12 N -5.08 2.79 0.75 1.64 -1.94 -1.26 -5.00 119.30 111.19 1aab s MET 12 Ca 0.34 1.08 -0.06 0.00 -1.71 0.00 0.00 55.69 55.34 1aab s MET 12 Cb -0.10 -1.97 0.11 0.00 2.01 0.00 0.00 34.83 34.87 1aab s MET 12 CO 0.82 -1.22 1.05 0.45 -0.01 0.00 0.00 175.02 176.12 1aab s SER 13 N -3.46 4.37 0.33 3.03 0.15 -1.26 -4.73 113.70 112.14 1aab s SER 13 Ca 0.60 0.16 0.06 0.00 0.70 0.00 0.00 55.95 57.47 1aab s SER 13 Cb -0.16 -0.62 0.59 0.00 -1.71 0.00 0.00 66.02 64.12 1aab s SER 13 CO 0.52 -1.87 1.82 0.28 1.20 0.00 0.00 173.24 175.18 1aab h SER 14 N -0.74 0.35 0.00 5.45 0.02 -1.92 -1.59 113.55 115.12 1aab h SER 14 Ca -0.42 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.43 1aab h SER 14 Cb 1.28 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1aab h SER 14 CO 0.50 0.56 -0.00 0.22 -1.14 0.00 0.00 176.83 176.96 1aab h TYR 15 N 0.33 -0.00 -0.32 3.45 3.20 -1.93 -2.82 116.97 118.88 1aab h TYR 15 Ca 0.06 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.02 1aab h TYR 15 Cb 0.52 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1aab h TYR 15 CO 0.01 0.65 0.31 0.00 -1.64 0.00 0.00 178.16 177.49 1aab h ALA 16 N 0.33 2.05 -0.11 1.82 0.00 -1.90 0.48 119.26 121.93 1aab h ALA 16 Ca -0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1aab h ALA 16 Cb 0.66 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1aab h ALA 16 CO 0.00 -0.47 -0.56 0.74 0.00 0.00 0.00 179.25 178.96 1aab h PHE 17 N 0.00 0.44 0.00 0.00 0.04 -1.10 -1.11 116.94 115.21 1aab h PHE 17 Ca 0.15 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1aab h PHE 17 Cb 0.76 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.83 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 0.27 0.00 0.08 -0.55 3.04 0.13 -2.95 116.94 116.96 1aab h PHE 18 Ca 0.00 0.00 -0.16 0.00 3.98 0.00 0.00 57.97 61.79 1aab h PHE 18 Cb 1.07 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.59 1aab h PHE 18 CO 0.03 0.00 -0.78 0.28 -2.02 0.00 0.00 178.31 175.82 1aab h VAL 19 N 0.00 1.42 0.00 1.41 2.07 -0.48 -1.00 116.25 119.67 1aab h VAL 19 Ca 0.00 -2.42 -0.00 0.00 0.82 0.00 0.00 66.70 65.10 1aab h VAL 19 Cb 0.80 3.04 -0.00 0.00 -1.52 0.00 0.00 31.29 33.61 1aab h VAL 19 CO 0.00 0.64 -0.01 0.06 0.02 0.00 0.00 177.57 178.28 1aab h GLN 20 N -0.59 0.00 0.05 1.57 3.07 -1.26 1.01 115.11 118.95 1aab h GLN 20 Ca -0.16 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 58.32 1aab h GLN 20 Cb 1.46 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.00 1aab h GLN 20 CO 0.05 0.01 -1.25 1.15 0.09 0.00 0.00 178.83 178.88 1aab h THR 21 N 0.00 1.44 0.00 1.86 2.02 -1.49 -2.83 112.91 113.91 1aab h THR 21 Ca -0.00 -3.13 -0.01 0.00 0.77 0.00 0.00 66.41 64.04 1aab h THR 21 Cb 0.06 2.79 -0.00 0.00 -1.74 0.00 0.00 68.15 69.26 1aab h THR 21 CO 0.00 0.86 -0.38 -1.28 0.37 0.00 0.00 175.52 175.09 1aab h SER 22 N 0.03 0.00 -0.05 4.18 0.87 0.85 -3.19 113.55 116.24 1aab h SER 22 Ca -0.12 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.24 1aab h SER 22 Cb 1.89 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.87 1aab h SER 22 CO 0.14 0.03 -0.74 -0.09 -0.53 0.00 0.00 176.83 175.65 1aab h ARG 23 N 0.00 0.59 0.00 2.24 2.43 0.86 -0.31 114.38 120.19 1aab h ARG 23 Ca -0.00 -0.57 -0.05 0.00 -0.81 0.00 0.00 59.98 58.55 1aab h ARG 23 Cb 1.03 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1aab h ARG 23 CO 0.00 1.19 -0.26 0.93 -1.51 0.00 0.00 179.97 180.32 1aab h GLU 24 N 0.20 0.00 0.03 0.20 5.08 -1.58 0.17 114.58 118.68 1aab h GLU 24 Ca -0.08 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.05 1aab h GLU 24 Cb 1.41 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.64 1aab h GLU 24 CO 0.15 0.26 -1.12 0.93 -1.00 0.00 0.00 179.01 178.22 1aab h GLU 25 N 0.00 0.07 0.00 2.33 4.39 -1.51 -3.27 114.58 116.58 1aab h GLU 25 Ca -0.00 -0.12 -0.19 0.00 0.34 0.00 0.00 59.36 59.39 1aab h GLU 25 Cb 0.69 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.36 1aab h GLU 25 CO 0.03 1.02 -1.02 1.25 -1.16 0.00 0.00 179.01 179.13 1aab h HIS 26 N 0.02 0.00 0.00 4.33 -0.00 -0.58 -3.13 115.15 115.79 1aab h HIS 26 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 1aab h HIS 26 Cb 1.84 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.25 1aab h HIS 26 CO 0.02 0.82 0.00 1.17 -0.00 0.00 0.00 177.93 179.93 1aab n LYS 27 N -3.22 0.02 0.20 5.26 4.81 0.56 -1.62 118.16 124.18 1aab n LYS 27 Ca -0.03 0.40 0.13 0.00 -0.87 0.00 0.00 58.31 57.95 1aab n LYS 27 Cb 0.89 -1.56 0.35 0.00 0.02 0.00 0.00 35.03 34.73 1aab n LYS 27 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1aab h LYS 28 N 0.00 0.00 0.00 1.64 3.64 -1.64 -3.40 116.57 116.81 1aab h LYS 28 Ca 0.00 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 1aab h LYS 28 Cb 0.13 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 31.80 1aab h LYS 28 CO 0.00 0.00 -0.30 0.36 -2.27 0.00 0.00 179.45 177.24 1aab n LYS 29 N -2.86 0.95 -2.98 1.90 2.85 -0.64 -5.03 118.16 112.35 1aab n LYS 29 Ca 0.03 -1.67 -0.16 0.00 -1.05 0.00 0.00 58.31 55.47 1aab n LYS 29 Cb 0.44 -0.42 -0.00 0.00 -0.65 0.00 0.00 35.03 34.39 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 -0.14 -1.64 0.10 5.58 8.25 -1.13 -4.97 115.22 121.28 1aab n HIS 30 Ca -0.02 -2.79 -0.05 0.00 -0.26 0.00 0.00 57.72 54.59 1aab n HIS 30 Cb 0.77 0.55 0.06 0.00 1.12 0.00 0.00 29.99 32.48 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 3.74 0.10 0.05 -0.41 0.13 -1.91 -3.18 132.00 130.52 1aab h PRO 31 Ca -0.02 -0.09 -0.24 0.00 -0.87 0.00 0.00 66.00 64.77 1aab h PRO 31 Cb 0.97 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1aab h PRO 31 CO 0.38 0.81 -1.06 0.38 -0.23 0.00 0.00 178.00 178.28 1aab h ASP 32 N 0.06 0.46 -0.64 1.44 2.03 -2.01 -3.28 116.42 114.48 1aab h ASP 32 Ca -0.02 -0.42 -0.04 0.00 -0.73 0.00 0.00 57.03 55.82 1aab h ASP 32 Cb 1.33 -0.14 -0.03 0.00 -0.83 0.00 0.00 39.33 39.66 1aab h ASP 32 CO 0.11 1.26 0.23 0.00 -1.03 0.00 0.00 179.24 179.81 1aab h ALA 33 N 0.70 0.84 0.00 4.15 0.00 -1.97 -3.45 119.26 119.53 1aab h ALA 33 Ca -0.10 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1aab h ALA 33 Cb 1.73 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1aab h ALA 33 CO 0.18 0.48 0.00 0.43 0.00 0.00 0.00 179.25 180.33 1aab n SER 34 N -4.40 -2.48 -3.10 0.00 7.64 -1.20 -3.76 113.62 106.33 1aab n SER 34 Ca 0.04 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.81 1aab n SER 34 Cb 0.19 -2.53 0.01 0.00 -1.01 0.00 0.00 64.21 60.87 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 -1.57 -6.48 1.87 0.44 0.31 -1.26 -4.83 118.33 106.81 1aab n VAL 35 Ca 0.00 0.79 0.06 0.00 -0.01 0.00 0.00 64.34 65.19 1aab n VAL 35 Cb 0.21 -4.83 0.34 0.00 -0.91 0.00 0.00 33.84 28.65 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 0.51 0.25 -2.53 4.52 3.02 -1.25 -4.85 115.26 114.93 1aab n ASN 36 Ca -0.00 -1.66 -0.13 0.00 -0.03 0.00 0.00 54.58 52.77 1aab n ASN 36 Cb 0.42 -0.02 -0.00 0.00 -0.61 0.00 0.00 39.78 39.56 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 -0.53 -1.49 -1.47 3.10 3.72 -1.26 -4.57 117.46 114.96 1aab n PHE 37 Ca 0.10 0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 1aab n PHE 37 Cb 0.08 -2.68 0.00 0.00 -0.94 0.00 0.00 39.48 35.94 1aab n PHE 37 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1aab n SER 38 N -1.84 0.00 0.00 4.37 7.64 -1.26 -4.84 113.62 117.69 1aab n SER 38 Ca -0.12 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.76 1aab n SER 38 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1aab n SER 38 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1aab n GLU 39 N 0.00 4.13 -0.05 1.43 -0.58 -1.26 -4.83 120.64 119.48 1aab n GLU 39 Ca 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.73 1aab n GLU 39 Cb 0.27 -0.43 -0.00 0.00 -0.57 0.00 0.00 31.44 30.70 1aab n GLU 39 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1aab h PHE 40 N 0.00 0.00 -0.59 -0.32 3.57 -1.91 -3.25 116.94 114.44 1aab h PHE 40 Ca 0.00 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.67 1aab h PHE 40 Cb 0.00 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1aab h PHE 40 CO 0.00 0.00 0.44 0.66 -2.23 0.00 0.00 178.31 177.18 1aab h SER 41 N -0.88 0.00 0.10 0.41 4.64 -1.92 1.02 113.55 116.93 1aab h SER 41 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1aab h SER 41 Cb 0.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1aab h SER 41 CO 0.00 0.00 -0.10 0.11 -0.87 0.00 0.00 176.83 175.97 1aab h LYS 42 N 0.00 0.01 0.08 4.77 1.79 -1.88 0.19 116.57 121.53 1aab h LYS 42 Ca 0.28 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.75 1aab h LYS 42 Cb 1.16 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1aab h LYS 42 CO -0.00 0.11 -0.04 -0.22 -1.08 0.00 0.00 179.45 178.22 1aab h LYS 43 N 0.01 -0.11 -0.43 3.15 1.63 0.10 -2.92 116.57 118.00 1aab h LYS 43 Ca 0.00 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.85 1aab h LYS 43 Cb 0.18 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.81 1aab h LYS 43 CO 0.01 0.35 0.29 0.00 -3.45 0.00 0.00 179.45 176.65 1aab h SER 45 N 0.42 0.35 0.38 0.00 0.87 -0.69 0.25 113.55 115.13 1aab h SER 45 Ca 0.18 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1aab h SER 45 Cb 0.20 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1aab h SER 45 CO -0.04 0.32 0.00 1.21 -0.53 0.00 0.00 176.83 177.78 1aab n GLU 46 N -4.84 0.08 -0.00 2.24 2.13 -0.56 -1.14 120.64 118.55 1aab n GLU 46 Ca -0.02 0.42 0.09 0.00 0.66 0.00 0.00 57.16 58.31 1aab n GLU 46 Cb 0.07 -1.69 -0.12 0.00 0.27 0.00 0.00 31.44 29.97 1aab n GLU 46 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1aab n ARG 47 N -1.85 0.65 -0.08 5.31 0.63 -0.05 -4.43 116.66 116.84 1aab n ARG 47 Ca 0.02 -0.03 -0.10 0.00 -0.92 0.00 0.00 57.85 56.82 1aab n ARG 47 Cb 0.13 -1.42 -0.03 0.00 0.45 0.00 0.00 32.46 31.59 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 -1.58 0.00 0.14 -0.14 -0.00 0.69 -4.29 117.44 112.27 1aab n TRP 48 Ca 0.02 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.57 1aab n TRP 48 Cb 0.34 -0.48 0.25 0.00 -0.00 0.00 0.00 31.31 31.42 1aab n TRP 48 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1aab n LYS 49 N -4.30 0.07 0.03 5.87 5.02 -0.29 -0.43 118.16 124.12 1aab n LYS 49 Ca -0.16 0.51 -0.18 0.00 -2.02 0.00 0.00 58.31 56.46 1aab n LYS 49 Cb 0.49 -2.08 -0.14 0.00 -0.02 0.00 0.00 35.03 33.28 1aab n LYS 49 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1aab h THR 50 N 0.00 0.88 -2.53 -0.18 1.03 -1.77 -3.48 112.91 106.87 1aab h THR 50 Ca 0.00 -2.58 -0.43 0.00 -0.01 0.00 0.00 66.41 63.39 1aab h THR 50 Cb 0.74 2.61 0.22 0.00 -1.07 0.00 0.00 68.15 70.66 1aab h THR 50 CO 0.00 0.79 -0.71 0.23 -0.01 0.00 0.00 175.52 175.82 1aab n MET 51 N -3.41 -2.13 -3.10 0.00 2.81 0.43 -4.98 117.12 106.73 1aab n MET 51 Ca -0.23 -0.61 -0.28 0.00 -1.81 0.00 0.00 57.70 54.77 1aab n MET 51 Cb 1.05 -1.82 -0.02 0.00 -0.71 0.00 0.00 33.22 31.71 1aab n MET 51 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1aab s SER 52 N -2.05 6.42 0.59 7.83 1.04 -1.26 -4.91 113.70 121.36 1aab s SER 52 Ca 0.59 0.83 0.29 0.00 0.48 0.00 0.00 55.95 58.14 1aab s SER 52 Cb -0.15 -2.20 1.63 0.00 0.10 0.00 0.00 66.02 65.40 1aab s SER 52 CO 0.64 -0.32 2.06 0.00 0.98 0.00 0.00 173.24 176.60 1aab h ALA 53 N 1.24 1.86 0.21 5.32 0.00 -1.95 -0.72 119.26 125.22 1aab h ALA 53 Ca -0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1aab h ALA 53 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1aab h ALA 53 CO 0.64 -0.37 -0.10 0.87 0.00 0.00 0.00 179.25 180.29 1aab h LYS 54 N 0.00 -0.28 -0.51 0.00 1.57 -1.98 0.59 116.57 115.97 1aab h LYS 54 Ca 0.11 0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 1aab h LYS 54 Cb 0.62 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1aab h LYS 54 CO -0.00 -0.06 0.09 0.93 -0.57 0.00 0.00 179.45 179.84 1aab h GLU 55 N -0.46 0.83 0.00 3.15 4.39 -1.62 0.13 114.58 121.01 1aab h GLU 55 Ca -0.03 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.45 1aab h GLU 55 Cb 0.35 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1aab h GLU 55 CO 0.05 0.82 0.00 1.63 -1.16 0.00 0.00 179.01 180.35 1aab n LYS 56 N -4.41 0.29 0.10 2.33 5.02 -0.40 -1.81 118.16 119.28 1aab n LYS 56 Ca 0.01 0.11 -0.17 0.00 -2.02 0.00 0.00 58.31 56.24 1aab n LYS 56 Cb 0.25 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.65 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 2.63 0.43 2.00 0.72 0.00 0.30 -1.48 103.07 107.68 1aab h GLY 57 Ca 0.00 -0.98 -0.09 0.00 0.00 0.00 0.00 47.33 46.27 1aab h GLY 57 CO 0.00 0.86 -0.41 1.70 0.00 0.00 0.00 176.54 178.69 1aab h LYS 58 N 0.14 0.00 0.00 4.80 3.11 -1.19 -2.42 116.57 121.01 1aab h LYS 58 Ca -0.14 0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 57.59 1aab h LYS 58 Cb 1.90 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 33.11 1aab h LYS 58 CO 0.21 0.41 -0.65 0.74 -2.81 0.00 0.00 179.45 177.34 1aab h PHE 59 N 0.00 0.00 0.00 1.91 0.04 -1.51 -2.84 116.94 114.54 1aab h PHE 59 Ca -0.00 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 1aab h PHE 59 Cb 1.11 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.25 1aab h PHE 59 CO 0.00 0.47 -0.36 0.93 -0.60 0.00 0.00 178.31 178.76 1aab h GLU 60 N 0.00 0.00 -0.15 1.51 4.39 -1.00 -2.23 114.58 117.11 1aab h GLU 60 Ca -0.03 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.46 1aab h GLU 60 Cb 1.39 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.04 1aab h GLU 60 CO 0.06 0.36 -0.74 0.22 -1.16 0.00 0.00 179.01 177.74 1aab h ASP 61 N 0.00 0.84 -0.15 1.42 1.82 -1.20 -0.58 116.42 118.56 1aab h ASP 61 Ca -0.00 -0.54 -0.05 0.00 -0.39 0.00 0.00 57.03 56.05 1aab h ASP 61 Cb 1.05 -0.25 -0.00 0.00 0.68 0.00 0.00 39.33 40.81 1aab h ASP 61 CO 0.05 1.32 -0.11 0.24 -1.61 0.00 0.00 179.24 179.13 1aab h MET 62 N 0.49 0.35 0.00 0.28 2.86 -1.39 0.14 114.93 117.66 1aab h MET 62 Ca -0.04 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.40 1aab h MET 62 Cb 1.35 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.01 1aab h MET 62 CO 0.15 0.70 -0.16 0.00 1.06 0.00 0.00 176.91 178.66 1aab h ALA 63 N 0.64 1.56 0.00 6.32 0.00 -1.41 0.48 119.26 126.85 1aab h ALA 63 Ca 0.03 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 1aab h ALA 63 Cb 0.61 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1aab h ALA 63 CO 0.03 0.20 -0.85 -0.22 0.00 0.00 0.00 179.25 178.41 1aab h LYS 64 N 0.00 0.11 0.03 0.00 3.64 -0.70 -1.90 116.57 117.75 1aab h LYS 64 Ca -0.00 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1aab h LYS 64 Cb 0.32 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1aab h LYS 64 CO 0.02 0.89 -0.01 0.00 -2.27 0.00 0.00 179.45 178.08 1aab h ALA 65 N 1.07 -0.03 -0.66 5.00 0.00 0.44 -3.00 119.26 122.07 1aab h ALA 65 Ca -0.03 -0.29 0.09 0.00 0.00 0.00 0.00 54.91 54.69 1aab h ALA 65 Cb 1.48 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 1aab h ALA 65 CO 0.12 -0.22 0.44 0.22 0.00 0.00 0.00 179.25 179.81 1aab h ASP 66 N -0.63 0.47 -0.95 0.00 3.58 -0.99 0.17 116.42 118.07 1aab h ASP 66 Ca -0.00 0.01 0.06 0.00 0.42 0.00 0.00 57.03 57.51 1aab h ASP 66 Cb 0.59 -0.09 -0.06 0.00 1.72 0.00 0.00 39.33 41.49 1aab h ASP 66 CO 0.01 0.29 0.62 0.50 -2.88 0.00 0.00 179.24 177.77 1aab h LYS 67 N 0.53 1.08 -0.10 0.28 3.64 -1.21 0.43 116.57 121.23 1aab h LYS 67 Ca 0.30 -0.07 -0.18 0.00 -1.27 0.00 0.00 60.65 59.43 1aab h LYS 67 Cb 0.49 -0.24 0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1aab h LYS 67 CO -0.10 0.72 -0.65 0.00 -2.27 0.00 0.00 179.45 177.15 1aab h ALA 68 N 1.48 0.22 0.00 5.00 0.00 -0.62 -2.18 119.26 123.16 1aab h ALA 68 Ca 0.40 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1aab h ALA 68 Cb 0.14 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1aab h ALA 68 CO -0.15 0.50 -0.01 0.00 0.00 0.00 0.00 179.25 179.60 1aab h ARG 69 N 0.26 0.00 0.00 0.00 2.47 -0.47 -0.41 114.38 116.23 1aab h ARG 69 Ca -0.05 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.66 1aab h ARG 69 Cb 1.30 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.62 1aab h ARG 69 CO 0.13 0.01 -0.02 -0.92 0.56 0.00 0.00 179.97 179.73 1aab h TYR 70 N 0.00 0.00 -0.10 3.04 5.03 0.03 -3.14 116.97 121.83 1aab h TYR 70 Ca -0.00 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 1aab h TYR 70 Cb 0.34 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.61 1aab h TYR 70 CO 0.00 0.61 0.02 0.93 -1.32 0.00 0.00 178.16 178.41 1aab h GLU 71 N -1.00 0.15 -0.98 1.82 5.08 -1.28 0.26 114.58 118.63 1aab h GLU 71 Ca -0.00 -0.04 0.20 0.00 -1.00 0.00 0.00 59.36 58.52 1aab h GLU 71 Cb 0.61 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.75 1aab h GLU 71 CO -0.00 0.34 0.62 -0.09 -1.00 0.00 0.00 179.01 178.87 1aab h ARG 72 N -0.05 0.63 0.00 2.33 9.65 -1.24 0.29 114.38 125.98 1aab h ARG 72 Ca 0.03 -0.04 -0.16 0.00 -1.10 0.00 0.00 59.98 58.71 1aab h ARG 72 Cb 0.25 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.67 1aab h ARG 72 CO 0.00 0.42 -0.76 0.93 2.80 0.00 0.00 179.97 183.36 1aab h GLU 73 N 0.65 0.00 0.10 0.20 5.08 -1.44 -3.32 114.58 115.85 1aab h GLU 73 Ca 0.55 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.90 1aab h GLU 73 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1aab h GLU 73 CO -0.32 0.75 -0.05 1.98 -1.00 0.00 0.00 179.01 180.38 1aab h MET 74 N 0.00 -0.13 0.00 2.33 4.05 0.17 -1.90 114.93 119.45 1aab h MET 74 Ca -0.01 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1aab h MET 74 Cb 1.58 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.41 1aab h MET 74 CO 0.10 0.07 0.00 1.63 0.23 0.00 0.00 176.91 178.94 1aab n LYS 75 N -5.07 0.31 -2.78 0.39 5.02 -0.59 -2.37 118.16 113.07 1aab n LYS 75 Ca -0.08 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.19 1aab n LYS 75 Cb 0.15 -1.07 0.06 0.00 -0.02 0.00 0.00 35.03 34.15 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 -0.57 0.99 0.00 -0.18 -2.24 -0.73 -5.00 114.28 106.55 1aab n THR 76 Ca 0.01 -2.60 0.00 0.00 -2.27 0.00 0.00 64.05 59.19 1aab n THR 76 Cb 0.00 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 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 -0.66 0.00 -2.49 4.78 9.36 -1.00 -4.97 117.16 122.18 1aab n TYR 77 Ca 0.03 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.24 1aab n TYR 77 Cb 0.82 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.51 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 -8.06 -0.95 2.97 -0.00 -1.26 -4.94 119.36 107.12 1aab n ILE 78 Ca 0.00 1.79 -0.30 0.00 -0.00 0.00 0.00 62.75 64.24 1aab n ILE 78 Cb 0.00 -4.55 0.16 0.00 -0.00 0.00 0.00 39.64 35.25 1aab n ILE 78 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1aab s PRO 79 N -0.37 0.87 0.00 0.38 0.04 -1.26 -5.03 135.00 129.63 1aab s PRO 79 Ca -0.08 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1aab s PRO 79 Cb 0.01 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1aab s PRO 79 CO 0.22 -2.58 0.00 -0.35 0.04 0.00 0.00 177.00 174.34 1aab n PRO 80 N -4.14 1.47 -1.83 0.56 -0.04 -1.26 -4.68 135.00 125.07 1aab n PRO 80 Ca 0.08 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.33 1aab n PRO 80 Cb 0.54 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 1.86 -1.13 0.54 -0.14 -1.26 -3.52 119.74 116.09 1aab s LYS 81 Ca 0.00 -0.63 -0.03 0.00 -1.36 0.00 0.00 55.97 53.95 1aab s LYS 81 Cb 0.00 -5.08 -0.03 0.00 -1.68 0.00 0.00 37.83 31.04 1aab s LYS 81 CO 0.00 -4.62 0.96 0.41 -0.76 0.00 0.00 175.35 171.33 1aab n GLY 82 N 6.13 -0.74 3.55 -3.33 0.00 -1.26 -5.35 105.19 104.19 1aab n GLY 82 Ca 0.43 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.78 1aab n GLY 82 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11