#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aab s LYS 2 N 0.00 4.54 0.00 1.61 1.02 -1.26 -4.71 119.74 120.95 1aab s LYS 2 Ca 0.00 1.69 0.00 0.00 0.02 0.00 0.00 55.97 57.68 1aab s LYS 2 Cb 0.00 -3.32 0.00 0.00 -0.52 0.00 0.00 37.83 33.99 1aab s LYS 2 CO 0.00 -0.04 0.00 0.41 -0.92 0.00 0.00 175.35 174.80 1aab n GLY 3 N 2.50 0.14 3.66 -3.33 0.00 -1.26 -5.04 105.19 101.85 1aab n GLY 3 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 -5.48 -4.60 1.61 9.92 -1.26 -4.81 116.55 111.93 1aab n ASP 4 Ca 0.00 -0.86 -0.43 0.00 -0.53 0.00 0.00 54.79 52.98 1aab n ASP 4 Cb 0.03 -2.90 -0.03 0.00 -0.64 0.00 0.00 41.12 37.58 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 -5.23 3.30 -1.10 -0.24 0.04 -1.26 -3.15 135.00 127.36 1aab s PRO 5 Ca 0.22 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1aab s PRO 5 Cb -0.09 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.25 1aab s PRO 5 CO 0.87 -1.90 0.00 1.63 0.04 0.00 0.00 177.00 177.64 1aab n LYS 6 N 8.46 -1.78 -2.11 4.56 4.76 -1.26 -4.89 118.16 125.90 1aab n LYS 6 Ca 0.23 0.62 -0.42 0.00 -2.87 0.00 0.00 58.31 55.86 1aab n LYS 6 Cb 0.47 -5.03 -0.03 0.00 -1.84 0.00 0.00 35.03 28.61 1aab n LYS 6 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1aab s LYS 7 N -4.02 4.30 0.86 1.97 2.20 -1.19 -4.96 119.74 118.90 1aab s LYS 7 Ca 0.00 2.15 -0.14 0.00 -0.36 0.00 0.00 55.97 57.63 1aab s LYS 7 Cb 0.00 -3.21 0.03 0.00 -1.51 0.00 0.00 37.83 33.14 1aab s LYS 7 CO 0.00 -0.45 0.63 -2.30 -0.36 0.00 0.00 175.35 172.87 1aab n PRO 8 N 3.70 -0.06 -0.02 4.03 -0.02 -1.26 -4.85 135.00 136.52 1aab n PRO 8 Ca 0.11 0.04 0.03 0.00 -2.02 0.00 0.00 63.50 61.65 1aab n PRO 8 Cb 0.41 -1.99 0.15 0.00 -0.02 0.00 0.00 33.50 32.05 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 -1.90 1.08 -1.63 -0.52 0.63 -1.26 -4.94 116.66 108.12 1aab n ARG 9 Ca 0.09 -0.12 -0.01 0.00 -0.92 0.00 0.00 57.85 56.89 1aab n ARG 9 Cb 0.52 -1.10 -0.01 0.00 0.45 0.00 0.00 32.46 32.32 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 -3.78 3.68 5.14 0.00 -1.26 -4.80 105.19 104.79 1aab n GLY 10 Ca 0.05 -0.05 -0.58 0.00 0.00 0.00 0.00 46.02 45.43 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 0.59 0.99 -1.55 1.61 2.85 -1.26 -4.89 118.16 116.50 1aab n LYS 11 Ca -0.06 0.36 -0.34 0.00 -1.05 0.00 0.00 58.31 57.21 1aab n LYS 11 Cb 0.10 -2.05 0.08 0.00 -0.65 0.00 0.00 35.03 32.51 1aab n LYS 11 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1aab s MET 12 N 3.80 2.34 0.67 -1.58 -1.94 -1.26 -5.00 119.30 116.34 1aab s MET 12 Ca 1.01 1.70 -0.11 0.00 -1.71 0.00 0.00 55.69 56.58 1aab s MET 12 Cb -1.12 -1.86 -0.01 0.00 2.01 0.00 0.00 34.83 33.85 1aab s MET 12 CO 0.66 -1.67 1.06 -1.54 -0.01 0.00 0.00 175.02 173.52 1aab s SER 13 N -2.08 5.69 0.57 3.03 1.04 -1.26 -4.71 113.70 115.98 1aab s SER 13 Ca 0.73 1.43 0.26 0.00 0.48 0.00 0.00 55.95 58.86 1aab s SER 13 Cb -0.28 -2.36 1.58 0.00 0.10 0.00 0.00 66.02 65.06 1aab s SER 13 CO 0.43 -1.22 2.11 0.28 0.98 0.00 0.00 173.24 175.82 1aab h SER 14 N -0.56 0.00 0.05 7.02 0.02 -1.93 0.64 113.55 118.79 1aab h SER 14 Ca -0.44 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1aab h SER 14 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1aab h SER 14 CO 0.60 0.00 -0.03 0.22 -1.14 0.00 0.00 176.83 176.49 1aab h TYR 15 N 0.00 -0.07 -0.23 3.45 3.20 -1.90 -2.48 116.97 118.94 1aab h TYR 15 Ca 0.09 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.02 1aab h TYR 15 Cb 0.45 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 1aab h TYR 15 CO 0.00 0.55 0.24 0.00 -1.64 0.00 0.00 178.16 177.31 1aab h ALA 16 N -0.11 1.89 -0.04 1.82 0.00 -1.68 0.60 119.26 121.74 1aab h ALA 16 Ca -0.01 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1aab h ALA 16 Cb 0.65 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1aab h ALA 16 CO 0.01 -0.36 -0.70 0.74 0.00 0.00 0.00 179.25 178.94 1aab h PHE 17 N 0.00 0.30 0.00 0.00 0.04 -0.81 -1.54 116.94 114.93 1aab h PHE 17 Ca 0.11 -0.13 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 1aab h PHE 17 Cb 0.59 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.69 1aab h PHE 17 CO 0.00 0.85 -0.11 0.35 -0.60 0.00 0.00 178.31 178.80 1aab h PHE 18 N 0.15 0.00 0.07 -0.55 3.04 0.53 -2.91 116.94 117.27 1aab h PHE 18 Ca -0.02 0.00 -0.14 0.00 3.98 0.00 0.00 57.97 61.79 1aab h PHE 18 Cb 1.25 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.78 1aab h PHE 18 CO 0.02 0.11 -0.57 0.28 -2.02 0.00 0.00 178.31 176.13 1aab h VAL 19 N 0.00 1.53 0.00 1.41 2.07 -0.34 0.40 116.25 121.32 1aab h VAL 19 Ca -0.00 -2.30 -0.01 0.00 0.82 0.00 0.00 66.70 65.21 1aab h VAL 19 Cb 1.01 3.00 -0.00 0.00 -1.52 0.00 0.00 31.29 33.78 1aab h VAL 19 CO 0.01 0.65 -0.03 0.06 0.02 0.00 0.00 177.57 178.28 1aab h GLN 20 N -0.40 0.00 0.05 1.57 -0.00 -1.33 0.57 115.11 115.57 1aab h GLN 20 Ca -0.09 0.00 -0.25 0.00 -0.00 0.00 0.00 58.65 58.31 1aab h GLN 20 Cb 1.38 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.84 1aab h GLN 20 CO 0.11 0.03 -1.23 1.15 -0.00 0.00 0.00 178.83 178.89 1aab h THR 21 N 0.00 1.47 0.00 1.86 2.02 -1.37 -3.13 112.91 113.75 1aab h THR 21 Ca -0.00 -3.15 -0.09 0.00 0.77 0.00 0.00 66.41 63.94 1aab h THR 21 Cb 0.07 2.80 -0.01 0.00 -1.74 0.00 0.00 68.15 69.27 1aab h THR 21 CO 0.00 0.87 -0.41 -1.28 0.37 0.00 0.00 175.52 175.07 1aab h SER 22 N 0.03 0.00 0.49 4.18 0.87 0.25 -3.09 113.55 116.27 1aab h SER 22 Ca -0.11 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.42 1aab h SER 22 Cb 1.89 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.85 1aab h SER 22 CO 0.15 0.41 -0.23 -0.09 -0.53 0.00 0.00 176.83 176.54 1aab h ARG 23 N 0.00 -0.63 -0.50 2.24 2.43 0.05 0.72 114.38 118.69 1aab h ARG 23 Ca -0.00 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.28 1aab h ARG 23 Cb 1.09 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 1aab h ARG 23 CO 0.05 -0.35 0.34 0.93 -1.51 0.00 0.00 179.97 179.43 1aab h GLU 24 N -0.81 0.35 0.00 0.20 5.08 -1.59 0.29 114.58 118.10 1aab h GLU 24 Ca -0.07 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 1aab h GLU 24 Cb 0.57 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1aab h GLU 24 CO 0.11 0.23 -0.60 0.93 -1.00 0.00 0.00 179.01 178.68 1aab h GLU 25 N 0.36 0.00 0.00 2.33 5.08 -1.39 -3.24 114.58 117.73 1aab h GLU 25 Ca 0.22 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.53 1aab h GLU 25 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1aab h GLU 25 CO -0.05 0.50 -0.68 1.25 -1.00 0.00 0.00 179.01 179.03 1aab h HIS 26 N 0.00 0.00 0.00 4.33 2.76 0.25 -3.24 115.15 119.25 1aab h HIS 26 Ca -0.02 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1aab h HIS 26 Cb 1.42 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.38 1aab h HIS 26 CO 0.00 0.23 -0.00 -0.22 -1.30 0.00 0.00 177.93 176.63 1aab h LYS 27 N 0.00 0.00 -0.00 5.26 3.64 -0.54 -2.60 116.57 122.33 1aab h LYS 27 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1aab h LYS 27 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1aab h LYS 27 CO 0.02 0.00 -0.07 1.63 -2.27 0.00 0.00 179.45 178.77 1aab n LYS 28 N -3.10 0.47 -2.67 1.90 5.02 -1.22 -4.45 118.16 114.12 1aab n LYS 28 Ca -0.00 -0.09 -0.06 0.00 -2.02 0.00 0.00 58.31 56.14 1aab n LYS 28 Cb 0.26 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.87 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 -1.18 1.00 -2.96 1.97 2.85 -0.99 -5.04 118.16 113.81 1aab n LYS 29 Ca 0.13 -1.52 -0.15 0.00 -1.05 0.00 0.00 58.31 55.72 1aab n LYS 29 Cb 0.27 0.01 -0.01 0.00 -0.65 0.00 0.00 35.03 34.65 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 -0.66 -2.00 0.09 5.58 8.25 -1.14 -4.98 115.22 120.37 1aab n HIS 30 Ca -0.09 -2.57 -0.08 0.00 -0.26 0.00 0.00 57.72 54.72 1aab n HIS 30 Cb 0.81 0.69 0.00 0.00 1.12 0.00 0.00 29.99 32.61 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 4.06 0.15 0.00 -0.41 0.13 -1.92 -3.23 132.00 130.78 1aab h PRO 31 Ca -0.04 -0.17 -0.02 0.00 -0.87 0.00 0.00 66.00 64.91 1aab h PRO 31 Cb 0.96 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 1aab h PRO 31 CO 0.38 0.92 -0.08 0.22 -0.23 0.00 0.00 178.00 179.21 1aab h ASP 32 N 0.08 0.00 -0.24 1.44 3.58 -2.01 -3.27 116.42 116.01 1aab h ASP 32 Ca -0.04 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.22 1aab h ASP 32 Cb 1.49 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.54 1aab h ASP 32 CO 0.13 0.08 -0.58 0.00 -2.88 0.00 0.00 179.24 175.98 1aab h ALA 33 N 1.92 0.47 0.00 -0.78 0.00 -1.97 -3.45 119.26 115.45 1aab h ALA 33 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1aab h ALA 33 Cb 0.98 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1aab h ALA 33 CO 0.01 0.68 0.00 0.43 0.00 0.00 0.00 179.25 180.37 1aab n SER 34 N -3.99 0.00 -3.20 0.00 7.64 -1.24 -4.28 113.62 108.56 1aab n SER 34 Ca -0.05 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.66 1aab n SER 34 Cb 0.64 -0.81 0.02 0.00 -1.01 0.00 0.00 64.21 63.05 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 -1.70 -5.62 1.42 0.44 0.31 -1.26 -4.82 118.33 107.10 1aab n VAL 35 Ca 0.00 0.58 0.03 0.00 -0.01 0.00 0.00 64.34 64.94 1aab n VAL 35 Cb 0.00 -4.46 0.08 0.00 -0.91 0.00 0.00 33.84 28.55 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 0.37 0.98 -1.63 4.52 3.02 -1.26 -4.83 115.26 116.43 1aab n ASN 36 Ca -0.01 -2.00 -0.14 0.00 -0.03 0.00 0.00 54.58 52.39 1aab n ASN 36 Cb 0.50 -0.13 -0.05 0.00 -0.61 0.00 0.00 39.78 39.50 1aab n ASN 36 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1aab n PHE 37 N 0.03 -0.55 -1.16 3.10 -0.00 -1.26 -4.54 117.46 113.07 1aab n PHE 37 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.51 1aab n PHE 37 Cb 0.16 -2.73 0.00 0.00 -0.00 0.00 0.00 39.48 36.91 1aab n PHE 37 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1aab n SER 38 N -0.86 0.00 0.00 -2.13 2.88 -1.26 -4.80 113.62 107.45 1aab n SER 38 Ca -0.14 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.40 1aab n SER 38 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 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 0.00 2.38 -0.04 -1.46 1.02 -1.26 -4.88 120.64 116.40 1aab n GLU 39 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 1aab n GLU 39 Cb 0.36 -0.20 -0.10 0.00 -0.02 0.00 0.00 31.44 31.48 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 -0.03 0.00 -0.32 3.57 -1.91 -3.10 116.94 115.15 1aab h PHE 40 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1aab h PHE 40 Cb 0.00 0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1aab h PHE 40 CO 0.00 0.70 0.23 0.77 -2.23 0.00 0.00 178.31 177.78 1aab h SER 41 N -0.89 0.00 -0.27 0.41 0.02 -1.90 0.52 113.55 111.44 1aab h SER 41 Ca -0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1aab h SER 41 Cb 0.75 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 1aab h SER 41 CO 0.01 0.00 -0.17 0.50 -1.14 0.00 0.00 176.83 176.03 1aab h LYS 42 N 0.00 0.71 0.02 3.45 1.63 -1.88 0.80 116.57 121.30 1aab h LYS 42 Ca 0.00 -0.26 -0.06 0.00 -0.85 0.00 0.00 60.65 59.49 1aab h LYS 42 Cb 0.46 -0.05 0.01 0.00 -0.60 0.00 0.00 32.23 32.05 1aab h LYS 42 CO 0.00 0.84 -0.24 0.87 -3.45 0.00 0.00 179.45 177.47 1aab h LYS 43 N 0.64 0.13 -0.86 1.90 6.56 -0.08 -2.89 116.57 121.97 1aab h LYS 43 Ca 0.10 -0.17 0.05 0.00 -1.06 0.00 0.00 60.65 59.57 1aab h LYS 43 Cb 0.64 0.05 -0.05 0.00 -0.57 0.00 0.00 32.23 32.30 1aab h LYS 43 CO 0.05 0.97 0.56 0.00 -2.06 0.00 0.00 179.45 178.96 1aab h SER 45 N 1.01 0.14 0.39 0.00 0.87 -0.88 0.77 113.55 115.85 1aab h SER 45 Ca 0.36 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 1aab h SER 45 Cb 0.13 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1aab h SER 45 CO -0.12 0.11 0.00 -0.62 -0.53 0.00 0.00 176.83 175.68 1aab n GLU 46 N -5.00 0.10 -0.00 2.24 4.71 -0.55 -1.32 120.64 120.82 1aab n GLU 46 Ca -0.02 0.20 0.08 0.00 -0.01 0.00 0.00 57.16 57.41 1aab n GLU 46 Cb 0.07 -1.50 -0.11 0.00 -1.01 0.00 0.00 31.44 28.89 1aab n GLU 46 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 1aab n ARG 47 N -1.40 1.24 -0.07 3.49 0.63 0.59 -4.47 116.66 116.67 1aab n ARG 47 Ca 0.05 -0.06 -0.07 0.00 -0.92 0.00 0.00 57.85 56.85 1aab n ARG 47 Cb 0.14 -1.31 -0.02 0.00 0.45 0.00 0.00 32.46 31.72 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 -1.65 0.00 0.17 -0.14 -0.00 0.24 -4.26 117.44 111.80 1aab n TRP 48 Ca 0.01 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.56 1aab n TRP 48 Cb 0.32 -0.42 0.27 0.00 -0.00 0.00 0.00 31.31 31.49 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 -0.83 0.00 0.10 5.87 1.57 -1.43 0.19 116.57 122.04 1aab h LYS 49 Ca 0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 1aab h LYS 49 Cb 0.83 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 1aab h LYS 49 CO 0.00 0.00 -1.75 0.00 -0.57 0.00 0.00 179.45 177.13 1aab h THR 50 N 0.00 0.89 -2.61 -0.16 1.03 -1.78 -3.48 112.91 106.80 1aab h THR 50 Ca 0.00 -2.59 -0.41 0.00 -0.01 0.00 0.00 66.41 63.40 1aab h THR 50 Cb 0.86 2.60 0.22 0.00 -1.07 0.00 0.00 68.15 70.76 1aab h THR 50 CO 0.00 0.78 -0.52 0.23 -0.01 0.00 0.00 175.52 176.01 1aab n MET 51 N -3.39 -2.54 -3.48 0.00 2.81 0.67 -4.99 117.12 106.19 1aab n MET 51 Ca -0.23 -0.73 -0.29 0.00 -1.81 0.00 0.00 57.70 54.64 1aab n MET 51 Cb 1.05 -1.85 -0.04 0.00 -0.71 0.00 0.00 33.22 31.67 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 -2.21 6.45 0.21 7.83 0.01 -1.26 -4.93 113.70 119.81 1aab s SER 52 Ca 0.60 0.64 0.11 0.00 1.31 0.00 0.00 55.95 58.60 1aab s SER 52 Cb -0.16 -2.11 0.58 0.00 0.21 0.00 0.00 66.02 64.55 1aab s SER 52 CO 0.61 -0.11 1.25 0.00 0.41 0.00 0.00 173.24 175.40 1aab n ALA 53 N -0.65 0.79 0.12 1.44 0.00 -1.26 -1.28 120.51 119.66 1aab n ALA 53 Ca -0.02 0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.40 1aab n ALA 53 Cb 0.53 -0.92 -0.07 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.35 -0.42 0.00 1.57 -1.98 0.14 116.57 115.54 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 0.31 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1aab h LYS 54 CO 0.00 0.00 -0.13 0.93 -0.57 0.00 0.00 179.45 179.68 1aab h GLU 55 N -0.87 0.83 0.00 3.15 5.08 -1.57 -0.29 114.58 120.90 1aab h GLU 55 Ca -0.04 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1aab h GLU 55 Cb 0.51 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1aab h GLU 55 CO 0.06 0.96 0.00 1.63 -1.00 0.00 0.00 179.01 180.66 1aab n LYS 56 N -4.28 0.14 -0.03 2.33 5.02 -0.61 -2.02 118.16 118.72 1aab n LYS 56 Ca -0.01 0.19 -0.16 0.00 -2.02 0.00 0.00 58.31 56.31 1aab n LYS 56 Cb 0.39 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.81 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 2.34 0.53 2.00 0.72 0.00 0.11 -1.21 103.07 107.57 1aab h GLY 57 Ca 0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 47.33 46.53 1aab h GLY 57 CO 0.00 0.68 -0.19 1.70 0.00 0.00 0.00 176.54 178.73 1aab h LYS 58 N 0.06 0.00 0.00 4.80 3.11 -1.32 -1.49 116.57 121.72 1aab h LYS 58 Ca -0.03 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.73 1aab h LYS 58 Cb 1.13 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.35 1aab h LYS 58 CO 0.10 0.19 -0.43 0.74 -2.81 0.00 0.00 179.45 177.24 1aab h PHE 59 N 0.00 0.00 0.00 1.91 0.04 -1.48 -2.63 116.94 114.78 1aab h PHE 59 Ca -0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 1aab h PHE 59 Cb 0.60 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.75 1aab h PHE 59 CO 0.00 0.33 -0.14 0.93 -0.60 0.00 0.00 178.31 178.83 1aab h GLU 60 N 0.00 0.00 0.04 1.51 4.39 -0.18 -2.32 114.58 118.02 1aab h GLU 60 Ca -0.01 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.45 1aab h GLU 60 Cb 1.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1aab h GLU 60 CO 0.04 0.14 -1.03 0.22 -1.16 0.00 0.00 179.01 177.22 1aab h ASP 61 N 0.00 0.50 -0.00 1.42 3.58 -1.07 -2.07 116.42 118.78 1aab h ASP 61 Ca -0.00 -0.44 -0.00 0.00 0.42 0.00 0.00 57.03 57.01 1aab h ASP 61 Cb 0.85 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.74 1aab h ASP 61 CO 0.02 1.26 -0.01 0.24 -2.88 0.00 0.00 179.24 177.88 1aab h MET 62 N 0.18 0.01 -0.03 0.28 2.86 -1.38 -1.08 114.93 115.77 1aab h MET 62 Ca -0.10 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1aab h MET 62 Cb 1.70 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.35 1aab h MET 62 CO 0.18 0.53 0.03 0.00 1.06 0.00 0.00 176.91 178.71 1aab h ALA 63 N 0.48 1.61 0.00 6.32 0.00 -1.50 0.21 119.26 126.38 1aab h ALA 63 Ca 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1aab h ALA 63 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1aab h ALA 63 CO 0.00 -0.05 -0.42 -0.22 0.00 0.00 0.00 179.25 178.57 1aab h LYS 64 N 0.00 0.00 -0.13 0.00 3.64 -1.04 -1.56 116.57 117.48 1aab h LYS 64 Ca 0.01 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.17 1aab h LYS 64 Cb 0.08 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1aab h LYS 64 CO -0.00 0.42 -0.80 0.00 -2.27 0.00 0.00 179.45 176.79 1aab h ALA 65 N 1.58 0.32 -0.13 5.00 0.00 0.71 -2.82 119.26 123.92 1aab h ALA 65 Ca -0.00 -0.61 -0.16 0.00 0.00 0.00 0.00 54.91 54.13 1aab h ALA 65 Cb 1.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1aab h ALA 65 CO 0.05 0.69 -0.60 0.22 0.00 0.00 0.00 179.25 179.62 1aab h ASP 66 N 0.50 0.51 -0.44 0.00 1.82 -1.36 -2.51 116.42 114.94 1aab h ASP 66 Ca -0.06 -0.29 0.09 0.00 -0.39 0.00 0.00 57.03 56.39 1aab h ASP 66 Cb 1.43 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 41.27 1aab h ASP 66 CO 0.16 0.99 0.30 0.50 -1.61 0.00 0.00 179.24 179.58 1aab h LYS 67 N 0.33 0.17 -0.12 0.28 3.64 -1.16 0.28 116.57 120.00 1aab h LYS 67 Ca -0.00 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.19 1aab h LYS 67 Cb 1.14 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1aab h LYS 67 CO 0.11 0.11 -0.65 0.00 -2.27 0.00 0.00 179.45 176.75 1aab h ALA 68 N 1.78 0.65 0.00 5.00 0.00 -1.20 -0.83 119.26 124.65 1aab h ALA 68 Ca 0.20 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1aab h ALA 68 Cb 0.58 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1aab h ALA 68 CO -0.03 0.72 0.00 0.54 0.00 0.00 0.00 179.25 180.48 1aab n ARG 69 N -3.89 0.02 -0.12 0.00 5.12 0.77 -2.57 116.66 115.99 1aab n ARG 69 Ca -0.04 0.13 -0.23 0.00 -1.93 0.00 0.00 57.85 55.78 1aab n ARG 69 Cb 0.66 -1.53 -0.09 0.00 -1.16 0.00 0.00 32.46 30.34 1aab n ARG 69 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 1aab n TYR 70 N -1.57 0.43 0.26 -1.55 4.19 0.07 -4.06 117.16 114.92 1aab n TYR 70 Ca 0.05 0.18 0.15 0.00 3.31 0.00 0.00 57.90 61.59 1aab n TYR 70 Cb 0.27 -0.97 0.62 0.00 0.49 0.00 0.00 39.34 39.74 1aab n TYR 70 CO 0.00 0.00 0.00 1.05 0.91 0.00 0.00 176.86 178.82 1aab h GLU 71 N -1.00 0.00 -0.01 2.98 4.11 -1.25 -2.86 114.58 116.55 1aab h GLU 71 Ca -0.47 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 58.93 1aab h GLU 71 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1aab h GLU 71 CO -0.28 0.09 -0.14 -0.09 0.07 0.00 0.00 179.01 178.65 1aab h ARG 72 N 0.00 0.12 0.00 1.06 9.65 -1.71 -3.17 114.38 120.33 1aab h ARG 72 Ca -0.00 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 1aab h ARG 72 Cb 0.57 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.18 1aab h ARG 72 CO 0.01 0.82 0.00 0.39 2.80 0.00 0.00 179.97 183.99 1aab n GLU 73 N -4.61 0.89 0.07 0.20 1.02 -1.21 -3.34 120.64 113.66 1aab n GLU 73 Ca -0.09 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 56.97 1aab n GLU 73 Cb 0.43 -1.46 0.06 0.00 -0.02 0.00 0.00 31.44 30.44 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 0.00 0.28 0.00 3.49 4.05 -1.47 -2.91 114.93 118.37 1aab h MET 74 Ca 0.00 -0.23 0.00 0.00 -0.28 0.00 0.00 59.70 59.19 1aab h MET 74 Cb 0.00 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 1aab h MET 74 CO 0.00 0.88 0.00 1.63 0.23 0.00 0.00 176.91 179.65 1aab n LYS 75 N -3.80 0.13 -0.00 0.39 4.76 -1.21 -1.66 118.16 116.76 1aab n LYS 75 Ca -0.03 0.55 0.11 0.00 -2.87 0.00 0.00 58.31 56.07 1aab n LYS 75 Cb 0.70 -1.87 -0.16 0.00 -1.84 0.00 0.00 35.03 31.86 1aab n LYS 75 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1aab n THR 76 N -2.14 0.03 0.00 -0.18 -2.24 -1.10 -4.82 114.28 103.82 1aab n THR 76 Ca -0.00 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1aab n THR 76 Cb 0.09 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 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 -2.19 0.00 -3.13 4.78 9.36 -0.67 -4.97 117.16 120.36 1aab n TYR 77 Ca -0.03 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.16 1aab n TYR 77 Cb 0.54 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.25 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 -4.19 -0.75 2.97 5.41 -1.25 -4.91 119.36 116.64 1aab n ILE 78 Ca 0.00 0.72 -0.31 0.00 1.00 0.00 0.00 62.75 64.16 1aab n ILE 78 Cb 0.00 -3.85 0.17 0.00 -0.71 0.00 0.00 39.64 35.24 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 -1.27 0.93 0.00 0.38 0.02 -1.26 -5.02 135.00 128.78 1aab s PRO 79 Ca 0.04 1.42 0.00 0.00 0.02 0.00 0.00 61.00 62.48 1aab s PRO 79 Cb -0.00 -1.73 0.00 0.00 0.02 0.00 0.00 34.50 32.79 1aab s PRO 79 CO 0.23 -2.65 0.00 -0.35 -0.33 0.00 0.00 177.00 173.91 1aab n PRO 80 N -4.23 0.87 -1.87 5.54 -0.04 -1.26 -4.73 135.00 129.27 1aab n PRO 80 Ca 0.10 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.35 1aab n PRO 80 Cb 0.52 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.91 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 -0.18 2.04 0.16 0.54 1.02 -1.26 -4.75 119.74 117.31 1aab s LYS 81 Ca 0.00 -0.44 -0.15 0.00 0.02 0.00 0.00 55.97 55.39 1aab s LYS 81 Cb 0.00 -5.05 0.06 0.00 -0.52 0.00 0.00 37.83 32.32 1aab s LYS 81 CO 0.00 -4.25 1.80 0.78 -0.92 0.00 0.00 175.35 172.76 1aab h GLY 82 N 19.74 0.60 1.00 -3.33 0.00 -2.02 -3.55 103.07 115.51 1aab h GLY 82 Ca 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1aab h GLY 82 CO 1.13 0.16 0.00 1.18 0.00 0.00 0.00 176.54 179.01