#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 0.19 1.61 4.76 -1.26 -5.00 118.16 118.46 1aab n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1aab n LYS 2 Cb 0.00 -0.85 0.00 0.00 -1.84 0.00 0.00 35.03 32.34 1aab n LYS 2 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1aab n GLY 3 N -0.17 -1.69 3.63 0.72 0.00 -1.26 -5.13 105.19 101.28 1aab n GLY 3 Ca 0.00 0.41 -0.35 0.00 0.00 0.00 0.00 46.02 46.08 1aab n GLY 3 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1aab n ASP 4 N -3.35 0.47 -4.56 1.61 5.68 -1.26 -4.79 116.55 110.36 1aab n ASP 4 Ca 0.00 0.61 -0.25 0.00 -0.50 0.00 0.00 54.79 54.64 1aab n ASP 4 Cb 0.00 -1.43 -0.05 0.00 -1.14 0.00 0.00 41.12 38.50 1aab n ASP 4 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 1aab s PRO 5 N -3.66 2.20 -1.67 0.11 0.04 -1.26 -3.91 135.00 126.85 1aab s PRO 5 Ca 0.72 0.30 -0.20 0.00 0.04 0.00 0.00 61.00 61.86 1aab s PRO 5 Cb -0.31 -4.81 0.19 0.00 0.04 0.00 0.00 34.50 29.60 1aab s PRO 5 CO 0.52 -3.61 0.61 1.63 0.04 0.00 0.00 177.00 176.19 1aab n LYS 6 N 8.91 -1.75 -2.51 4.56 5.02 -1.26 -4.90 118.16 126.24 1aab n LYS 6 Ca 0.39 0.22 -0.41 0.00 -2.02 0.00 0.00 58.31 56.48 1aab n LYS 6 Cb 0.47 -4.85 -0.04 0.00 -0.02 0.00 0.00 35.03 30.60 1aab n LYS 6 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1aab s LYS 7 N -6.93 4.55 1.17 1.97 2.20 -1.25 -4.88 119.74 116.56 1aab s LYS 7 Ca 0.73 1.71 -0.17 0.00 -0.36 0.00 0.00 55.97 57.88 1aab s LYS 7 Cb -0.42 -3.31 0.19 0.00 -1.51 0.00 0.00 37.83 32.79 1aab s LYS 7 CO 0.90 -0.01 0.41 -2.30 -0.36 0.00 0.00 175.35 173.99 1aab n PRO 8 N 2.84 -2.16 0.00 4.03 -0.02 -1.26 -4.81 135.00 133.62 1aab n PRO 8 Ca 0.04 -0.61 0.09 0.00 -2.02 0.00 0.00 63.50 61.01 1aab n PRO 8 Cb 0.47 -1.87 0.56 0.00 -0.02 0.00 0.00 33.50 32.63 1aab n PRO 8 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1aab n ARG 9 N -3.33 0.71 -1.64 -0.52 1.85 -1.26 -4.93 116.66 107.54 1aab n ARG 9 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.85 1aab n ARG 9 Cb 0.59 -1.41 -0.01 0.00 -1.05 0.00 0.00 32.46 30.57 1aab n ARG 9 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1aab n GLY 10 N 0.39 -3.64 3.60 2.89 0.00 -1.26 -4.86 105.19 102.32 1aab n GLY 10 Ca 0.14 -0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.65 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 0.50 1.34 -2.05 1.61 -0.00 -1.26 -4.92 118.16 113.37 1aab n LYS 11 Ca -0.08 0.48 -0.33 0.00 -0.00 0.00 0.00 58.31 58.39 1aab n LYS 11 Cb 0.12 -2.14 0.01 0.00 -0.00 0.00 0.00 35.03 33.01 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 0.51 3.35 0.84 -1.58 -1.94 -1.26 -5.00 119.30 114.22 1aab s MET 12 Ca 0.83 1.17 -0.11 0.00 -1.71 0.00 0.00 55.69 55.86 1aab s MET 12 Cb -0.90 -2.04 0.19 0.00 2.01 0.00 0.00 34.83 34.09 1aab s MET 12 CO 0.45 -0.78 1.15 0.43 -0.01 0.00 0.00 175.02 176.26 1aab n SER 13 N -2.05 0.39 0.17 3.03 7.64 -1.26 -4.73 113.62 116.81 1aab n SER 13 Ca 0.08 -1.60 0.02 0.00 1.01 0.00 0.00 58.87 58.39 1aab n SER 13 Cb 0.53 -0.85 0.30 0.00 -1.01 0.00 0.00 64.21 63.18 1aab n SER 13 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1aab h SER 14 N -1.34 0.00 0.11 6.43 0.87 -1.92 -2.37 113.55 115.33 1aab h SER 14 Ca -0.37 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.18 1aab h SER 14 Cb 1.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1aab h SER 14 CO 0.29 0.46 -0.05 0.22 -0.53 0.00 0.00 176.83 177.22 1aab h TYR 15 N 0.00 -0.14 -0.31 2.24 3.20 -1.93 -2.91 116.97 117.13 1aab h TYR 15 Ca -0.00 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.95 1aab h TYR 15 Cb 0.87 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 1aab h TYR 15 CO 0.00 0.36 0.35 0.00 -1.64 0.00 0.00 178.16 177.23 1aab h ALA 16 N -0.24 1.97 -0.04 1.82 0.00 -1.92 0.48 119.26 121.32 1aab h ALA 16 Ca -0.02 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1aab h ALA 16 Cb 0.56 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1aab h ALA 16 CO 0.02 -0.51 -0.67 0.74 0.00 0.00 0.00 179.25 178.84 1aab h PHE 17 N 0.00 0.25 0.00 0.00 0.04 -1.33 -1.71 116.94 114.19 1aab h PHE 17 Ca 0.15 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1aab h PHE 17 Cb 0.84 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.95 1aab h PHE 17 CO 0.00 0.80 0.00 0.35 -0.60 0.00 0.00 178.31 178.86 1aab h PHE 18 N 0.13 0.00 0.21 -0.55 3.04 0.10 -2.83 116.94 117.04 1aab h PHE 18 Ca -0.01 0.00 -0.28 0.00 3.98 0.00 0.00 57.97 61.65 1aab h PHE 18 Cb 1.20 0.00 0.03 0.00 2.56 0.00 0.00 35.95 39.74 1aab h PHE 18 CO 0.02 0.00 -1.26 0.28 -2.02 0.00 0.00 178.31 175.33 1aab h VAL 19 N 0.00 1.34 0.00 1.41 2.07 -0.76 0.41 116.25 120.72 1aab h VAL 19 Ca 0.00 -2.63 -0.02 0.00 0.82 0.00 0.00 66.70 64.87 1aab h VAL 19 Cb 0.85 3.08 -0.00 0.00 -1.52 0.00 0.00 31.29 33.70 1aab h VAL 19 CO 0.00 0.78 -0.10 0.06 0.02 0.00 0.00 177.57 178.32 1aab h GLN 20 N -0.05 0.00 0.05 1.57 -0.00 -1.31 0.33 115.11 115.70 1aab h GLN 20 Ca -0.22 0.00 -0.26 0.00 -0.00 0.00 0.00 58.65 58.16 1aab h GLN 20 Cb 1.98 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 29.43 1aab h GLN 20 CO 0.22 0.10 -1.32 1.15 -0.00 0.00 0.00 178.83 178.98 1aab h THR 21 N 0.00 1.36 -0.10 1.86 2.02 -1.37 -2.98 112.91 113.69 1aab h THR 21 Ca -0.00 -3.06 -0.09 0.00 0.77 0.00 0.00 66.41 64.03 1aab h THR 21 Cb 0.26 2.75 -0.01 0.00 -1.74 0.00 0.00 68.15 69.41 1aab h THR 21 CO 0.01 0.83 -0.36 -1.28 0.37 0.00 0.00 175.52 175.09 1aab h SER 22 N 0.03 0.22 -0.75 4.18 0.87 0.19 -2.32 113.55 115.97 1aab h SER 22 Ca -0.15 -0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.29 1aab h SER 22 Cb 1.92 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 63.78 1aab h SER 22 CO 0.14 0.57 0.30 -0.09 -0.53 0.00 0.00 176.83 177.21 1aab h ARG 23 N 0.18 1.13 -0.85 2.24 2.43 -0.39 0.98 114.38 120.10 1aab h ARG 23 Ca 0.02 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1aab h ARG 23 Cb 0.72 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1aab h ARG 23 CO 0.05 0.92 0.00 0.39 -1.51 0.00 0.00 179.97 179.83 1aab n GLU 24 N -4.32 0.88 0.00 0.20 -0.58 -0.88 -1.98 120.64 113.96 1aab n GLU 24 Ca 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1aab n GLU 24 Cb 0.18 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 1aab n GLU 24 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1aab n GLU 25 N 0.04 3.31 -0.08 3.49 1.02 -0.13 -4.88 120.64 123.42 1aab n GLU 25 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1aab n GLU 25 Cb 0.21 -0.28 -0.14 0.00 -0.02 0.00 0.00 31.44 31.21 1aab n GLU 25 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1aab n HIS 26 N 0.00 0.37 0.24 -0.32 -0.00 0.32 -4.06 115.22 111.77 1aab n HIS 26 Ca 0.00 0.11 0.03 0.00 -0.00 0.00 0.00 57.72 57.86 1aab n HIS 26 Cb 0.00 -1.06 0.13 0.00 -0.00 0.00 0.00 29.99 29.07 1aab n HIS 26 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 1aab n LYS 27 N -3.02 0.05 0.00 1.57 2.85 -0.84 -1.50 118.16 117.27 1aab n LYS 27 Ca -0.32 0.30 0.13 0.00 -1.05 0.00 0.00 58.31 57.36 1aab n LYS 27 Cb 1.08 -1.50 0.47 0.00 -0.65 0.00 0.00 35.03 34.43 1aab n LYS 27 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1aab n LYS 28 N -1.37 0.09 -2.60 -1.58 5.02 -1.26 -4.40 118.16 112.07 1aab n LYS 28 Ca 0.02 -0.03 -0.03 0.00 -2.02 0.00 0.00 58.31 56.25 1aab n LYS 28 Cb 0.05 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 33.68 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 -1.43 1.19 -3.07 1.97 2.85 -0.56 -5.01 118.16 114.09 1aab n LYS 29 Ca 0.07 -1.29 -0.17 0.00 -1.05 0.00 0.00 58.31 55.87 1aab n LYS 29 Cb 0.33 0.25 -0.02 0.00 -0.65 0.00 0.00 35.03 34.95 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 -1.15 -0.81 0.17 5.58 8.25 -1.07 -4.95 115.22 121.24 1aab n HIS 30 Ca -0.13 -3.28 0.01 0.00 -0.26 0.00 0.00 57.72 54.07 1aab n HIS 30 Cb 0.84 0.12 0.29 0.00 1.12 0.00 0.00 29.99 32.36 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 3.39 0.00 -0.00 -0.41 0.13 -1.89 -2.80 132.00 130.41 1aab h PRO 31 Ca 0.04 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.95 1aab h PRO 31 Cb 0.97 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.10 1aab h PRO 31 CO 0.41 0.46 -0.91 0.22 -0.23 0.00 0.00 178.00 177.96 1aab h ASP 32 N 0.00 0.44 -0.19 1.44 3.58 -2.01 -3.30 116.42 116.39 1aab h ASP 32 Ca -0.00 -0.35 -0.10 0.00 0.42 0.00 0.00 57.03 56.99 1aab h ASP 32 Cb 0.82 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.73 1aab h ASP 32 CO 0.06 1.15 -0.28 0.00 -2.88 0.00 0.00 179.24 177.29 1aab h ALA 33 N 0.82 0.29 0.00 -0.78 0.00 -1.94 -3.45 119.26 114.20 1aab h ALA 33 Ca -0.07 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1aab h ALA 33 Cb 1.54 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1aab h ALA 33 CO 0.15 0.29 0.00 0.43 0.00 0.00 0.00 179.25 180.12 1aab n SER 34 N -4.37 -3.57 -3.23 0.00 7.64 -1.07 -3.60 113.62 105.43 1aab n SER 34 Ca -0.06 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.62 1aab n SER 34 Cb 0.46 -2.65 0.02 0.00 -1.01 0.00 0.00 64.21 61.03 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 -1.53 -5.73 1.90 0.44 0.31 -1.26 -4.80 118.33 107.65 1aab n VAL 35 Ca 0.00 0.52 0.02 0.00 -0.01 0.00 0.00 64.34 64.87 1aab n VAL 35 Cb 0.30 -4.51 0.14 0.00 -0.91 0.00 0.00 33.84 28.86 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 0.23 0.00 -1.57 4.52 3.02 -1.24 -4.80 115.26 115.42 1aab n ASN 36 Ca -0.02 -1.75 -0.14 0.00 -0.03 0.00 0.00 54.58 52.64 1aab n ASN 36 Cb 0.53 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.65 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 -0.58 -0.46 -1.47 3.10 3.72 -1.26 -4.56 117.46 115.95 1aab n PHE 37 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1aab n PHE 37 Cb 0.02 -2.77 0.00 0.00 -0.94 0.00 0.00 39.48 35.79 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 -0.82 0.00 0.00 4.37 7.64 -1.26 -4.83 113.62 118.71 1aab n SER 38 Ca -0.15 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 58.62 1aab n SER 38 Cb 0.50 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 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 0.65 -0.06 1.43 1.02 -1.26 -4.94 120.64 117.48 1aab n GLU 39 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 1aab n GLU 39 Cb 0.52 -0.05 -0.05 0.00 -0.02 0.00 0.00 31.44 31.84 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 0.00 -0.19 -0.32 3.57 -1.91 -3.31 116.94 114.78 1aab h PHE 40 Ca 0.00 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1aab h PHE 40 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1aab h PHE 40 CO 0.00 0.40 0.47 0.77 -2.23 0.00 0.00 178.31 177.72 1aab h SER 41 N -1.00 0.00 -0.36 0.41 0.02 -1.93 0.55 113.55 111.25 1aab h SER 41 Ca -0.03 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.84 1aab h SER 41 Cb 0.47 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 1aab h SER 41 CO -0.02 0.00 -0.04 0.11 -1.14 0.00 0.00 176.83 175.74 1aab h LYS 42 N 0.00 0.76 0.18 3.45 1.79 -1.93 0.60 116.57 121.41 1aab h LYS 42 Ca 0.09 -0.21 -0.23 0.00 -2.18 0.00 0.00 60.65 58.11 1aab h LYS 42 Cb 1.03 -0.08 0.03 0.00 -1.58 0.00 0.00 32.23 31.63 1aab h LYS 42 CO -0.00 0.79 -1.03 0.87 -1.08 0.00 0.00 179.45 179.00 1aab h LYS 43 N 0.70 0.38 -0.54 3.15 6.56 -0.05 -3.09 116.57 123.68 1aab h LYS 43 Ca 0.13 -0.65 -0.03 0.00 -1.06 0.00 0.00 60.65 59.04 1aab h LYS 43 Cb 0.49 0.24 -0.03 0.00 -0.57 0.00 0.00 32.23 32.36 1aab h LYS 43 CO 0.02 1.31 0.20 0.00 -2.06 0.00 0.00 179.45 178.92 1aab h SER 45 N 0.78 0.27 0.38 0.00 0.87 -0.95 0.47 113.55 115.37 1aab h SER 45 Ca 0.18 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1aab h SER 45 Cb 0.19 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1aab h SER 45 CO -0.01 0.20 0.00 1.21 -0.53 0.00 0.00 176.83 177.69 1aab n GLU 46 N -4.93 0.06 0.00 2.24 2.13 -0.88 -1.27 120.64 117.99 1aab n GLU 46 Ca -0.02 0.39 0.09 0.00 0.66 0.00 0.00 57.16 58.27 1aab n GLU 46 Cb 0.03 -1.63 -0.10 0.00 0.27 0.00 0.00 31.44 30.02 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 -1.73 0.98 -0.06 5.31 0.63 0.57 -4.44 116.66 117.91 1aab n ARG 47 Ca 0.02 -0.03 -0.08 0.00 -0.92 0.00 0.00 57.85 56.85 1aab n ARG 47 Cb 0.13 -1.36 -0.03 0.00 0.45 0.00 0.00 32.46 31.65 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 -1.39 0.00 0.13 -0.14 -0.00 0.13 -4.31 117.44 111.87 1aab n TRP 48 Ca 0.04 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.58 1aab n TRP 48 Cb 0.29 -0.41 0.25 0.00 -0.00 0.00 0.00 31.31 31.43 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 -4.27 0.06 -0.00 5.87 5.02 -0.46 -0.26 118.16 124.11 1aab n LYS 49 Ca -0.12 0.50 -0.10 0.00 -2.02 0.00 0.00 58.31 56.57 1aab n LYS 49 Cb 0.43 -2.06 -0.14 0.00 -0.02 0.00 0.00 35.03 33.24 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 0.98 -1.86 -0.18 1.03 -1.77 -3.48 112.91 107.64 1aab h THR 50 Ca 0.00 -2.80 -0.15 0.00 -0.01 0.00 0.00 66.41 63.45 1aab h THR 50 Cb 0.70 2.51 0.09 0.00 -1.07 0.00 0.00 68.15 70.38 1aab h THR 50 CO 0.00 0.60 -0.06 0.23 -0.01 0.00 0.00 175.52 176.28 1aab n MET 51 N -3.14 -3.08 -4.24 0.00 2.81 0.64 -5.04 117.12 105.06 1aab n MET 51 Ca -0.15 -0.62 -0.26 0.00 -1.81 0.00 0.00 57.70 54.85 1aab n MET 51 Cb 1.03 -0.78 -0.08 0.00 -0.71 0.00 0.00 33.22 32.68 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 -2.49 4.58 0.60 7.83 0.01 -1.26 -4.98 113.70 117.99 1aab s SER 52 Ca 0.28 -0.47 0.28 0.00 1.31 0.00 0.00 55.95 57.35 1aab s SER 52 Cb -0.05 -0.90 1.32 0.00 0.21 0.00 0.00 66.02 66.59 1aab s SER 52 CO 0.23 0.09 1.72 0.00 0.41 0.00 0.00 173.24 175.69 1aab h ALA 53 N 2.72 2.35 0.27 1.44 0.00 -1.96 0.14 119.26 124.22 1aab h ALA 53 Ca -0.47 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1aab h ALA 53 Cb 1.21 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1aab h ALA 53 CO 0.57 -1.00 -0.15 0.87 0.00 0.00 0.00 179.25 179.54 1aab h LYS 54 N 0.00 -0.38 -0.06 0.00 1.57 -1.98 0.95 116.57 116.68 1aab h LYS 54 Ca 0.28 0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.06 1aab h LYS 54 Cb 1.67 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 34.06 1aab h LYS 54 CO -0.00 -0.25 -0.08 0.93 -0.57 0.00 0.00 179.45 179.47 1aab h GLU 55 N -0.39 0.16 0.00 3.15 4.39 -1.17 -2.38 114.58 118.32 1aab h GLU 55 Ca -0.03 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1aab h GLU 55 Cb 0.32 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1aab h GLU 55 CO 0.04 0.64 0.00 1.63 -1.16 0.00 0.00 179.01 180.17 1aab n LYS 56 N -4.70 0.26 0.05 2.33 5.02 -0.50 -2.00 118.16 118.63 1aab n LYS 56 Ca -0.08 0.10 -0.20 0.00 -2.02 0.00 0.00 58.31 56.10 1aab n LYS 56 Cb 0.33 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.69 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 1.91 0.35 2.00 0.72 0.00 0.15 -1.98 103.07 106.21 1aab h GLY 57 Ca 0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 47.33 46.42 1aab h GLY 57 CO 0.00 0.78 -0.09 1.70 0.00 0.00 0.00 176.54 178.92 1aab h LYS 58 N -0.34 0.00 0.00 4.80 3.11 -1.33 -2.07 116.57 120.74 1aab h LYS 58 Ca -0.17 0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.51 1aab h LYS 58 Cb 1.68 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.89 1aab h LYS 58 CO 0.14 0.09 -0.98 0.74 -2.81 0.00 0.00 179.45 176.63 1aab h PHE 59 N 0.00 0.00 0.00 1.91 0.04 -1.57 -3.01 116.94 114.32 1aab h PHE 59 Ca -0.00 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 1aab h PHE 59 Cb 0.59 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 1aab h PHE 59 CO 0.00 0.65 -0.30 0.93 -0.60 0.00 0.00 178.31 178.99 1aab h GLU 60 N 0.00 0.00 -0.09 1.51 4.39 -0.69 -1.72 114.58 117.99 1aab h GLU 60 Ca -0.08 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.40 1aab h GLU 60 Cb 1.56 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.22 1aab h GLU 60 CO 0.07 0.30 -0.83 0.22 -1.16 0.00 0.00 179.01 177.61 1aab h ASP 61 N 0.00 0.74 -0.01 1.42 1.82 -1.29 -1.32 116.42 117.78 1aab h ASP 61 Ca -0.00 -0.51 -0.00 0.00 -0.39 0.00 0.00 57.03 56.12 1aab h ASP 61 Cb 0.88 -0.22 -0.00 0.00 0.68 0.00 0.00 39.33 40.67 1aab h ASP 61 CO 0.04 1.30 -0.01 0.24 -1.61 0.00 0.00 179.24 179.19 1aab h MET 62 N 0.39 0.02 -0.09 0.28 2.86 -1.39 -0.94 114.93 116.05 1aab h MET 62 Ca -0.06 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1aab h MET 62 Cb 1.44 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.10 1aab h MET 62 CO 0.16 0.55 0.07 0.00 1.06 0.00 0.00 176.91 178.75 1aab h ALA 63 N 0.47 1.95 0.00 6.32 0.00 -1.37 0.27 119.26 126.90 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 0.55 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1aab h ALA 63 CO 0.00 -0.12 -0.59 -0.22 0.00 0.00 0.00 179.25 178.32 1aab h LYS 64 N 0.00 0.00 -0.07 0.00 3.64 -0.95 0.18 116.57 119.36 1aab h LYS 64 Ca 0.04 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.20 1aab h LYS 64 Cb 0.19 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1aab h LYS 64 CO -0.00 0.59 -0.84 0.00 -2.27 0.00 0.00 179.45 176.93 1aab h ALA 65 N 1.41 0.20 -0.10 5.00 0.00 0.86 -2.96 119.26 123.66 1aab h ALA 65 Ca -0.01 -0.63 -0.15 0.00 0.00 0.00 0.00 54.91 54.12 1aab h ALA 65 Cb 1.22 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1aab h ALA 65 CO 0.08 0.62 -0.60 0.22 0.00 0.00 0.00 179.25 179.57 1aab h ASP 66 N 0.38 0.39 -0.49 0.00 1.82 -1.03 -2.48 116.42 115.02 1aab h ASP 66 Ca -0.08 -0.22 0.10 0.00 -0.39 0.00 0.00 57.03 56.43 1aab h ASP 66 Cb 1.49 -0.11 -0.03 0.00 0.68 0.00 0.00 39.33 41.36 1aab h ASP 66 CO 0.17 0.90 0.34 0.50 -1.61 0.00 0.00 179.24 179.54 1aab h LYS 67 N 0.26 0.23 -0.03 0.28 3.64 -0.89 0.22 116.57 120.29 1aab h LYS 67 Ca -0.01 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 1aab h LYS 67 Cb 1.12 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1aab h LYS 67 CO 0.10 0.15 -0.50 0.00 -2.27 0.00 0.00 179.45 176.93 1aab h ALA 68 N 1.75 0.10 0.00 5.00 0.00 -1.29 -2.03 119.26 122.79 1aab h ALA 68 Ca 0.23 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1aab h ALA 68 Cb 0.59 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1aab h ALA 68 CO -0.04 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.51 1aab h ARG 69 N -0.13 0.00 0.00 0.00 2.47 -0.91 -2.51 114.38 113.31 1aab h ARG 69 Ca -0.05 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.55 1aab h ARG 69 Cb 1.20 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.50 1aab h ARG 69 CO 0.10 0.00 -0.84 -0.92 0.56 0.00 0.00 179.97 178.87 1aab h TYR 70 N 0.00 0.00 0.00 3.04 5.03 -0.87 -3.36 116.97 120.81 1aab h TYR 70 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1aab h TYR 70 Cb 0.15 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.43 1aab h TYR 70 CO 0.00 0.82 0.00 -0.85 -1.32 0.00 0.00 178.16 176.81 1aab n GLU 71 N -4.53 0.27 0.01 1.82 -0.00 -0.78 -2.67 120.64 114.76 1aab n GLU 71 Ca -0.20 0.09 -0.01 0.00 -0.00 0.00 0.00 57.16 57.05 1aab n GLU 71 Cb 0.48 -1.50 -0.00 0.00 -0.00 0.00 0.00 31.44 30.41 1aab n GLU 71 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1aab h ARG 72 N 0.00 -0.04 0.00 3.44 9.65 -1.59 -3.32 114.38 122.52 1aab h ARG 72 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1aab h ARG 72 Cb 0.06 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 1aab h ARG 72 CO 0.00 -0.02 0.00 0.39 2.80 0.00 0.00 179.97 183.14 1aab n GLU 73 N -2.52 0.64 0.22 0.20 -0.58 -1.23 -3.21 120.64 114.17 1aab n GLU 73 Ca -0.00 0.00 0.16 0.00 -0.42 0.00 0.00 57.16 56.89 1aab n GLU 73 Cb 0.01 -1.50 0.74 0.00 -0.57 0.00 0.00 31.44 30.13 1aab n GLU 73 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 1aab h MET 74 N 0.00 0.00 0.00 3.49 1.85 -1.60 -2.76 114.93 115.91 1aab h MET 74 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1aab h MET 74 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 1aab h MET 74 CO 0.00 0.00 0.00 1.63 -0.40 0.00 0.00 176.91 178.14 1aab n LYS 75 N -2.65 0.04 0.04 0.39 5.02 -1.20 -2.09 118.16 117.71 1aab n LYS 75 Ca -0.00 0.32 0.11 0.00 -2.02 0.00 0.00 58.31 56.72 1aab n LYS 75 Cb 0.16 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.59 1aab n LYS 75 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1aab n THR 76 N -1.42 0.24 0.00 -0.18 5.66 -1.04 -4.77 114.28 112.77 1aab n THR 76 Ca 0.02 -0.46 0.00 0.00 -3.05 0.00 0.00 64.05 60.56 1aab n THR 76 Cb 0.08 -0.06 0.00 0.00 -1.55 0.00 0.00 70.33 68.80 1aab n THR 76 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1aab n TYR 77 N -2.34 0.00 -2.97 1.09 9.36 -0.89 -5.03 117.16 116.38 1aab n TYR 77 Ca -0.01 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.20 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 -6.93 -0.60 2.97 -0.00 -1.26 -4.99 119.36 108.56 1aab n ILE 78 Ca 0.00 1.14 -0.21 0.00 -0.00 0.00 0.00 62.75 63.68 1aab n ILE 78 Cb 0.00 -4.94 0.18 0.00 -0.00 0.00 0.00 39.64 34.89 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 0.96 -3.07 0.00 0.38 -0.02 -1.26 -5.03 135.00 126.96 1aab n PRO 79 Ca 0.00 -1.13 0.00 0.00 -2.02 0.00 0.00 63.50 60.35 1aab n PRO 79 Cb 0.27 -1.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 1aab n PRO 79 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1aab n PRO 80 N -4.13 1.13 -0.11 0.52 -0.02 -1.26 -4.71 135.00 126.41 1aab n PRO 80 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1aab n PRO 80 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.89 1aab n PRO 80 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1aab n LYS 81 N 0.00 0.77 -3.58 -0.52 4.81 -1.26 -4.77 118.16 113.60 1aab n LYS 81 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.21 1aab n LYS 81 Cb 0.00 -1.12 0.02 0.00 0.02 0.00 0.00 35.03 33.96 1aab n LYS 81 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1aab n GLY 82 N 0.91 -1.12 0.00 3.14 0.00 -1.26 -5.34 105.19 101.51 1aab n GLY 82 Ca 0.00 0.49 0.13 0.00 0.00 0.00 0.00 46.02 46.65 1aab n GLY 82 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50