#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a8k s LYS 13 N 0.00 2.35 -0.26 1.96 1.02 -0.63 -5.01 119.74 119.18 2a8k s LYS 13 Ca 0.00 -0.87 0.01 0.00 0.02 0.00 0.00 55.97 55.13 2a8k s LYS 13 Cb 0.00 -2.04 0.07 0.00 -0.52 0.00 0.00 37.83 35.33 2a8k s LYS 13 CO 0.00 0.40 -0.03 0.42 -0.92 0.00 0.00 175.35 175.22 2a8k s ILE 14 N -0.23 1.58 1.05 2.17 1.01 -1.26 -0.59 121.20 124.93 2a8k s ILE 14 Ca -0.01 -1.39 -0.17 0.00 0.00 0.00 0.00 60.65 59.08 2a8k s ILE 14 Cb -0.13 -1.91 0.23 0.00 0.01 0.00 0.00 42.46 40.66 2a8k s ILE 14 CO 0.03 -0.21 1.22 1.51 0.00 0.00 0.00 174.94 177.49 2a8k s ASP 15 N 1.35 2.27 0.25 3.58 1.47 -1.26 -4.80 116.67 119.53 2a8k s ASP 15 Ca -0.02 0.46 -0.06 0.00 1.18 0.00 0.00 52.55 54.11 2a8k s ASP 15 Cb -0.19 -0.63 0.28 0.00 -0.34 0.00 0.00 42.92 42.05 2a8k s ASP 15 CO -0.08 -3.27 1.93 1.56 0.68 0.00 0.00 175.17 175.99 2a8k h GLN 16 N -2.01 1.30 0.31 2.11 1.08 -1.98 -1.52 115.11 114.40 2a8k h GLN 16 Ca -0.45 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 56.66 2a8k h GLN 16 Cb 1.27 -0.29 -0.00 0.00 -0.05 0.00 0.00 27.48 28.40 2a8k h GLN 16 CO 0.38 0.86 -0.17 -0.22 -0.95 0.00 0.00 178.83 178.73 2a8k h LYS 17 N 1.34 -0.44 -0.82 1.46 3.64 -1.93 -0.33 116.57 119.50 2a8k h LYS 17 Ca 0.37 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.77 2a8k h LYS 17 Cb -0.14 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 2a8k h LYS 17 CO -0.08 -0.29 0.49 0.82 -2.27 0.00 0.00 179.45 178.11 2a8k h ILE 18 N -0.45 1.23 -0.71 2.00 1.08 -1.89 -2.12 117.51 116.65 2a8k h ILE 18 Ca -0.04 -0.51 0.07 0.00 -0.39 0.00 0.00 64.86 63.99 2a8k h ILE 18 Cb 0.37 0.09 -0.06 0.00 -3.07 0.00 0.00 36.82 34.14 2a8k h ILE 18 CO 0.05 0.24 0.39 0.03 -0.69 0.00 0.00 178.15 178.17 2a8k h ARG 19 N 1.13 0.67 0.00 2.37 2.47 -0.95 -0.75 114.38 119.32 2a8k h ARG 19 Ca 0.29 -0.04 -0.05 0.00 -1.26 0.00 0.00 59.98 58.93 2a8k h ARG 19 Cb -0.03 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.13 2a8k h ARG 19 CO -0.05 0.44 -0.22 0.78 0.56 0.00 0.00 179.97 181.48 2a8k h GLY 20 N 0.69 0.00 1.92 0.04 0.00 -0.44 -2.86 103.07 102.43 2a8k h GLY 20 Ca 0.33 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.54 2a8k h GLY 20 CO -0.21 0.00 -0.60 1.46 0.00 0.00 0.00 176.54 177.19 2a8k h GLN 21 N 0.00 0.00 -0.39 4.80 4.20 -0.58 -3.39 115.11 119.75 2a8k h GLN 21 Ca -0.00 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.78 2a8k h GLN 21 Cb 0.49 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.18 2a8k h GLN 21 CO 0.03 0.51 -0.37 0.52 -0.67 0.00 0.00 178.83 178.85 2a8k h MET 22 N 0.00 -0.29 0.00 1.46 2.86 -1.08 0.25 114.93 118.13 2a8k h MET 22 Ca -0.02 0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2a8k h MET 22 Cb 1.42 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 33.14 2a8k h MET 22 CO 0.07 -0.19 -0.21 -1.00 1.06 0.00 0.00 176.91 176.63 2a8k h PRO 23 N -0.30 0.00 -0.00 -0.22 0.13 -1.75 -0.31 132.00 129.55 2a8k h PRO 23 Ca 0.15 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.13 2a8k h PRO 23 Cb 0.56 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 2a8k h PRO 23 CO -0.55 0.21 -0.75 0.93 -0.23 0.00 0.00 178.00 177.62 2a8k h GLU 24 N 0.00 0.02 -0.49 0.86 5.08 -1.48 -3.31 114.58 115.25 2a8k h GLU 24 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2a8k h GLU 24 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2a8k h GLU 24 CO 0.03 0.76 0.00 0.54 -1.00 0.00 0.00 179.01 179.33 2a8k n ARG 25 N -3.66 2.87 -1.17 2.33 1.74 -0.03 -4.73 116.66 114.01 2a8k n ARG 25 Ca -0.01 -2.33 -0.01 0.00 -0.77 0.00 0.00 57.85 54.73 2a8k n ARG 25 Cb 0.72 -1.42 -0.00 0.00 -1.02 0.00 0.00 32.46 30.74 2a8k n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2a8k n GLY 26 N 0.91 0.43 3.58 -0.13 0.00 -0.72 -0.98 105.19 108.29 2a8k n GLY 26 Ca 0.17 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 2a8k n GLY 26 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2a8k s TRP 27 N -2.04 2.72 0.31 1.61 0.52 -0.21 -4.93 118.94 116.93 2a8k s TRP 27 Ca 0.00 -0.17 0.08 0.00 0.02 0.00 0.00 56.10 56.02 2a8k s TRP 27 Cb 0.00 -1.39 -0.06 0.00 -1.15 0.00 0.00 33.47 30.87 2a8k s TRP 27 CO 0.00 0.46 -0.06 0.95 0.02 0.00 0.00 176.95 178.31 2a8k s THR 28 N -1.39 1.86 0.27 2.01 -4.23 -1.26 -3.97 115.64 108.92 2a8k s THR 28 Ca 0.23 -2.14 -0.04 0.00 -1.18 0.00 0.00 61.69 58.56 2a8k s THR 28 Cb -0.10 -2.57 0.22 0.00 1.34 0.00 0.00 72.50 71.40 2a8k s THR 28 CO 0.15 -0.23 1.90 -0.08 -0.54 0.00 0.00 174.62 175.81 2a8k h GLU 29 N 2.15 1.12 -0.06 3.99 4.81 -2.00 -1.90 114.58 122.69 2a8k h GLU 29 Ca -0.41 -0.12 -0.15 0.00 -0.13 0.00 0.00 59.36 58.55 2a8k h GLU 29 Cb 1.24 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 2a8k h GLU 29 CO 0.69 0.80 -0.64 -0.44 -0.73 0.00 0.00 179.01 178.70 2a8k h ASP 30 N 1.13 0.28 -0.56 1.04 3.32 -1.98 -2.26 116.42 117.38 2a8k h ASP 30 Ca 0.29 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 2a8k h ASP 30 Cb -0.00 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2a8k h ASP 30 CO -0.05 0.84 0.19 -0.78 -1.72 0.00 0.00 179.24 177.72 2a8k h ASP 31 N 0.17 0.81 -0.22 6.45 1.82 -1.80 0.99 116.42 124.64 2a8k h ASP 31 Ca -0.01 -0.20 -0.03 0.00 -0.39 0.00 0.00 57.03 56.40 2a8k h ASP 31 Cb 1.15 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.95 2a8k h ASP 31 CO 0.10 0.79 0.03 0.40 -1.61 0.00 0.00 179.24 178.94 2a8k h ILE 32 N 0.78 1.23 -0.80 2.25 2.04 -1.30 -1.41 117.51 120.31 2a8k h ILE 32 Ca 0.18 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 2a8k h ILE 32 Cb 0.26 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 2a8k h ILE 32 CO -0.01 0.25 0.45 0.11 0.00 0.00 0.00 178.15 178.95 2a8k h LYS 33 N 0.16 1.10 -0.46 2.37 1.57 -1.18 -0.87 116.57 119.26 2a8k h LYS 33 Ca 0.07 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 2a8k h LYS 33 Cb 0.34 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 2a8k h LYS 33 CO 0.01 0.79 -0.05 -0.97 -0.57 0.00 0.00 179.45 178.66 2a8k h ASN 34 N 1.11 0.85 -0.57 0.86 -0.73 -0.64 0.50 115.58 116.95 2a8k h ASN 34 Ca 0.28 -0.33 -0.05 0.00 1.87 0.00 0.00 56.30 58.07 2a8k h ASN 34 Cb 0.01 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.34 2a8k h ASN 34 CO -0.05 0.98 0.18 0.74 -0.37 0.00 0.00 177.43 178.91 2a8k h THR 35 N 0.70 1.24 -0.39 -3.57 2.02 -0.86 -2.20 112.91 109.85 2a8k h THR 35 Ca 0.12 -0.81 -0.12 0.00 0.77 0.00 0.00 66.41 66.37 2a8k h THR 35 Cb 0.57 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 2a8k h THR 35 CO 0.03 0.31 -0.23 0.58 0.37 0.00 0.00 175.52 176.58 2a8k h VAL 36 N 0.80 1.27 0.00 3.16 2.07 -1.03 -2.92 116.25 119.60 2a8k h VAL 36 Ca 0.18 -1.35 -0.04 0.00 0.82 0.00 0.00 66.70 66.32 2a8k h VAL 36 Cb 0.29 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2a8k h VAL 36 CO -0.01 0.45 -0.18 0.28 0.02 0.00 0.00 177.57 178.13 2a8k h SER 37 N 0.67 0.00 0.56 0.57 0.02 -0.57 -2.08 113.55 112.73 2a8k h SER 37 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2a8k h SER 37 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 2a8k h SER 37 CO 0.06 0.18 0.00 0.59 -1.14 0.00 0.00 176.83 176.52 2a8k n ASN 38 N -3.98 0.55 0.00 3.07 3.02 -0.86 -4.96 115.26 112.10 2a8k n ASN 38 Ca -0.02 0.66 0.00 0.00 -0.03 0.00 0.00 54.58 55.19 2a8k n ASN 38 Cb 0.27 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 38.67 2a8k n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a8k n GLY 39 N -0.27 2.73 3.72 7.41 0.00 -0.78 -5.01 105.19 112.99 2a8k n GLY 39 Ca 0.02 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 2a8k n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a8k s ALA 40 N -2.13 3.70 -0.44 4.61 0.00 -1.26 -4.50 121.76 121.73 2a8k s ALA 40 Ca 0.00 1.30 0.04 0.00 0.00 0.00 0.00 51.96 53.30 2a8k s ALA 40 Cb 0.00 -3.59 0.06 0.00 0.00 0.00 0.00 23.12 19.60 2a8k s ALA 40 CO 0.00 -0.73 0.81 0.25 0.00 0.00 0.00 175.76 176.09 2a8k n THR 41 N 3.59 0.39 -1.27 0.00 -2.24 0.37 -4.99 114.28 110.12 2a8k n THR 41 Ca 0.12 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 2a8k n THR 41 Cb 0.40 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 2a8k n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a8k n GLY 42 N 0.09 -1.23 3.25 3.38 0.00 -1.06 -0.17 105.19 109.45 2a8k n GLY 42 Ca 0.03 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 2a8k n GLY 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a8k s THR 43 N -2.41 1.15 0.00 2.61 -4.23 -0.33 -0.56 115.64 111.86 2a8k s THR 43 Ca 0.00 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 2a8k s THR 43 Cb 0.00 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 71.98 2a8k s THR 43 CO 0.00 -0.74 0.00 -0.24 -0.54 0.00 0.00 174.62 173.10 2a8k n SER 44 N -0.20 0.00 -4.03 3.99 2.88 -0.80 -1.09 113.62 114.38 2a8k n SER 44 Ca -0.10 -0.63 -0.10 0.00 -1.33 0.00 0.00 58.87 56.71 2a8k n SER 44 Cb 0.61 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.96 2a8k n SER 44 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2a8k s PHE 45 N -6.55 0.42 -0.30 0.66 2.19 -1.26 -0.49 117.98 112.65 2a8k s PHE 45 Ca 0.00 -0.63 0.03 0.00 0.33 0.00 0.00 56.93 56.66 2a8k s PHE 45 Cb 0.00 -0.29 0.08 0.00 -1.31 0.00 0.00 43.02 41.50 2a8k s PHE 45 CO 0.00 -0.19 -0.04 0.34 1.83 0.00 0.00 175.22 177.16 2a8k s ASP 46 N -1.80 4.59 -0.18 6.13 2.15 -0.13 -4.85 116.67 122.58 2a8k s ASP 46 Ca -0.10 -1.72 -0.01 0.00 0.43 0.00 0.00 52.55 51.15 2a8k s ASP 46 Cb -0.06 -1.59 0.05 0.00 -0.30 0.00 0.00 42.92 41.02 2a8k s ASP 46 CO -0.02 -0.27 -0.02 -1.59 -0.17 0.00 0.00 175.17 173.09 2a8k s LYS 47 N 1.02 1.18 -0.06 4.34 -2.85 -1.26 -0.89 119.74 121.22 2a8k s LYS 47 Ca -0.00 -0.51 0.00 0.00 -1.00 0.00 0.00 55.97 54.46 2a8k s LYS 47 Cb -0.20 -2.03 0.02 0.00 -2.06 0.00 0.00 37.83 33.56 2a8k s LYS 47 CO -0.06 -0.50 -0.04 1.03 0.10 0.00 0.00 175.35 175.88 2a8k s ARG 48 N 1.69 0.85 0.29 1.78 0.52 0.94 -4.96 118.95 120.05 2a8k s ARG 48 Ca -0.00 -0.07 -0.30 0.00 -0.52 0.00 0.00 55.73 54.84 2a8k s ARG 48 Cb -0.16 -0.95 -0.12 0.00 0.52 0.00 0.00 34.95 34.23 2a8k s ARG 48 CO -0.07 -0.15 1.44 -1.13 0.02 0.00 0.00 175.30 175.40 2a8k n SER 49 N 4.42 3.13 -3.40 0.23 3.41 -1.26 -1.48 113.62 118.66 2a8k n SER 49 Ca -0.19 1.16 -0.17 0.00 -0.26 0.00 0.00 58.87 59.42 2a8k n SER 49 Cb 0.51 -1.50 -0.05 0.00 -0.26 0.00 0.00 64.21 62.91 2a8k n SER 49 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2a8k n PRO 50 N 1.61 0.00 0.00 4.33 -0.02 -1.26 -1.04 135.00 138.62 2a8k n PRO 50 Ca 0.08 -0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.02 2a8k n PRO 50 Cb 0.34 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 2a8k n PRO 50 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2a8k n LYS 51 N 5.57 0.00 -0.51 -0.52 2.85 -1.26 -4.86 118.16 119.43 2a8k n LYS 51 Ca 0.18 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.50 2a8k n LYS 51 Cb 0.19 0.00 0.12 0.00 -0.65 0.00 0.00 35.03 34.70 2a8k n LYS 51 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2a8k n LYS 52 N 0.00 0.98 -3.25 -1.58 5.02 -0.21 -4.88 118.16 114.23 2a8k n LYS 52 Ca 0.00 -2.45 -0.25 0.00 -2.02 0.00 0.00 58.31 53.59 2a8k n LYS 52 Cb 0.00 -1.15 -0.07 0.00 -0.02 0.00 0.00 35.03 33.78 2a8k n LYS 52 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2a8k n THR 53 N -0.82 0.09 -3.15 -0.18 -2.24 -1.26 -4.95 114.28 101.77 2a8k n THR 53 Ca 0.13 -4.32 -0.32 0.00 -2.27 0.00 0.00 64.05 57.27 2a8k n THR 53 Cb 0.74 -2.00 -0.05 0.00 -2.10 0.00 0.00 70.33 66.92 2a8k n THR 53 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2a8k s PRO 54 N -1.51 3.91 0.83 -0.78 0.04 -1.26 -3.89 135.00 132.34 2a8k s PRO 54 Ca 0.36 0.53 -0.10 0.00 0.04 0.00 0.00 61.00 61.84 2a8k s PRO 54 Cb 0.16 -2.47 0.14 0.00 0.04 0.00 0.00 34.50 32.37 2a8k s PRO 54 CO -0.08 0.15 1.16 -1.25 0.04 0.00 0.00 177.00 177.02 2a8k s PRO 55 N -3.13 1.34 -0.56 0.56 0.04 -1.26 -4.95 135.00 127.05 2a8k s PRO 55 Ca 0.52 -0.53 -0.16 0.00 0.04 0.00 0.00 61.00 60.87 2a8k s PRO 55 Cb -0.10 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.41 2a8k s PRO 55 CO 0.21 -1.85 0.64 -3.47 0.04 0.00 0.00 177.00 172.57 2a8k n ASP 56 N -3.31 -6.99 -4.60 6.66 2.03 -1.26 -4.77 116.55 104.32 2a8k n ASP 56 Ca 0.13 0.05 -0.49 0.00 0.52 0.00 0.00 54.79 55.01 2a8k n ASP 56 Cb 0.60 -4.08 -0.05 0.00 -0.72 0.00 0.00 41.12 36.87 2a8k n ASP 56 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2a8k n TYR 57 N -0.91 2.05 0.00 -0.67 4.01 -1.25 -4.77 117.16 115.62 2a8k n TYR 57 Ca -0.01 0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 2a8k n TYR 57 Cb 0.55 -2.63 0.00 0.00 -0.31 0.00 0.00 39.34 36.95 2a8k n TYR 57 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2a8k n LEU 58 N 8.38 1.76 0.00 7.72 4.77 -1.26 -4.97 117.00 133.40 2a8k n LEU 58 Ca 0.29 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 2a8k n LEU 58 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2a8k n LEU 58 CO 0.73 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 2a8k n GLY 59 N 2.86 2.44 2.90 -0.72 0.00 -1.26 -4.71 105.19 106.70 2a8k n GLY 59 Ca 0.00 -1.92 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 2a8k n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a8k s ARG 60 N -2.99 0.12 -0.43 1.61 1.81 -0.55 -4.96 118.95 113.57 2a8k s ARG 60 Ca 0.00 -0.11 0.01 0.00 -1.72 0.00 0.00 55.73 53.91 2a8k s ARG 60 Cb 0.00 -0.07 0.22 0.00 -0.45 0.00 0.00 34.95 34.65 2a8k s ARG 60 CO 0.00 0.02 0.95 -1.71 -0.68 0.00 0.00 175.30 173.87 2a8k n ASN 61 N 2.87 -2.44 -3.95 0.23 5.15 -0.97 -0.04 115.26 116.11 2a8k n ASN 61 Ca -0.14 -2.20 -0.09 0.00 -0.60 0.00 0.00 54.58 51.55 2a8k n ASN 61 Cb 0.59 1.30 -0.09 0.00 -0.53 0.00 0.00 39.78 41.05 2a8k n ASN 61 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2a8k s ASP 62 N 0.31 0.23 0.60 1.20 1.01 -0.07 -4.99 116.67 114.96 2a8k s ASP 62 Ca 0.28 -0.65 -0.17 0.00 0.71 0.00 0.00 52.55 52.71 2a8k s ASP 62 Cb 0.11 0.24 -0.03 0.00 1.01 0.00 0.00 42.92 44.25 2a8k s ASP 62 CO -0.11 -0.57 1.14 -2.16 0.21 0.00 0.00 175.17 173.68 2a8k s PRO 63 N -3.13 3.02 0.22 8.23 0.04 -1.26 -0.96 135.00 141.16 2a8k s PRO 63 Ca -0.00 1.58 0.02 0.00 0.04 0.00 0.00 61.00 62.64 2a8k s PRO 63 Cb 0.02 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 2a8k s PRO 63 CO -0.07 -1.11 0.03 0.00 0.04 0.00 0.00 177.00 175.89 2a8k s ALA 64 N -1.95 1.66 -0.02 8.56 0.00 0.35 -1.45 121.76 128.91 2a8k s ALA 64 Ca 0.72 -1.75 0.06 0.00 0.00 0.00 0.00 51.96 50.98 2a8k s ALA 64 Cb -0.24 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.56 2a8k s ALA 64 CO 0.34 -0.34 -0.20 0.99 0.00 0.00 0.00 175.76 176.55 2a8k s THR 65 N -3.60 1.60 -0.02 0.00 2.01 -0.03 -1.90 115.64 113.70 2a8k s THR 65 Ca 0.30 -0.87 -0.00 0.00 0.31 0.00 0.00 61.69 61.43 2a8k s THR 65 Cb 0.07 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 2a8k s THR 65 CO 0.09 0.45 0.05 -0.69 -0.69 0.00 0.00 174.62 173.83 2a8k s VAL 66 N -0.47 4.54 0.02 3.82 1.01 0.27 -0.63 120.40 128.97 2a8k s VAL 66 Ca 0.08 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.67 2a8k s VAL 66 Cb -0.08 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 2a8k s VAL 66 CO -0.01 0.39 -0.15 -0.31 0.00 0.00 0.00 175.10 175.03 2a8k s TYR 67 N -1.12 1.30 0.00 5.22 2.02 0.09 -0.48 117.35 124.38 2a8k s TYR 67 Ca 0.21 -0.32 0.00 0.00 -0.37 0.00 0.00 57.07 56.59 2a8k s TYR 67 Cb -0.12 -0.80 0.00 0.00 -0.40 0.00 0.00 41.96 40.65 2a8k s TYR 67 CO 0.11 0.02 0.00 0.41 -1.57 0.00 0.00 175.55 174.53 2a8k n GLY 68 N 2.16 0.19 3.42 0.71 0.00 -1.26 -0.80 105.19 109.62 2a8k n GLY 68 Ca -0.17 -1.80 -0.13 0.00 0.00 0.00 0.00 46.02 43.92 2a8k n GLY 68 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a8k s SER 69 N -4.00 0.62 -0.02 1.61 1.04 -0.48 -4.76 113.70 107.71 2a8k s SER 69 Ca 0.00 -1.38 -0.38 0.00 0.48 0.00 0.00 55.95 54.67 2a8k s SER 69 Cb 0.00 0.57 -0.17 0.00 0.10 0.00 0.00 66.02 66.51 2a8k s SER 69 CO 0.00 -1.13 1.38 -2.65 0.98 0.00 0.00 173.24 171.83 2a8k n PRO 70 N -0.46 0.93 0.00 4.02 -0.02 -1.26 -0.38 135.00 137.82 2a8k n PRO 70 Ca 0.02 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2a8k n PRO 70 Cb 0.63 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 2a8k n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a8k n GLY 71 N 2.73 2.54 2.24 -1.23 0.00 -1.26 -4.83 105.19 105.38 2a8k n GLY 71 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 2a8k n GLY 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a8k n LYS 72 N -1.94 1.09 -4.26 1.61 5.02 0.49 -4.16 118.16 116.01 2a8k n LYS 72 Ca 0.00 -3.51 -0.14 0.00 -2.02 0.00 0.00 58.31 52.63 2a8k n LYS 72 Cb 0.00 -1.45 -0.10 0.00 -0.02 0.00 0.00 35.03 33.46 2a8k n LYS 72 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2a8k s TYR 73 N -1.55 1.29 -0.05 2.13 -0.85 -1.18 -1.38 117.35 115.75 2a8k s TYR 73 Ca 0.37 -1.04 0.02 0.00 -0.52 0.00 0.00 57.07 55.89 2a8k s TYR 73 Cb 0.18 -0.74 0.01 0.00 0.38 0.00 0.00 41.96 41.80 2a8k s TYR 73 CO -0.09 -0.23 -0.11 0.08 -1.52 0.00 0.00 175.55 173.69 2a8k s VAL 74 N -3.67 0.99 -0.12 -3.49 1.01 0.02 -1.49 120.40 113.65 2a8k s VAL 74 Ca 0.27 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 2a8k s VAL 74 Cb 0.06 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 2a8k s VAL 74 CO 0.06 0.32 -0.04 -0.69 0.00 0.00 0.00 175.10 174.75 2a8k s VAL 75 N 0.61 3.91 -0.07 2.92 1.01 -0.05 -0.73 120.40 128.00 2a8k s VAL 75 Ca -0.12 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.53 2a8k s VAL 75 Cb -0.14 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.56 2a8k s VAL 75 CO 0.03 0.54 -0.18 -0.69 0.00 0.00 0.00 175.10 174.79 2a8k s VAL 76 N -0.12 1.54 -0.01 2.92 1.01 0.20 -0.22 120.40 125.71 2a8k s VAL 76 Ca 0.03 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 2a8k s VAL 76 Cb -0.13 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 2a8k s VAL 76 CO 0.02 0.44 1.46 0.21 0.00 0.00 0.00 175.10 177.24 2a8k s ASN 77 N 0.32 6.80 0.34 3.32 3.84 -0.36 -0.85 114.94 128.34 2a8k s ASN 77 Ca -0.11 2.14 0.02 0.00 0.21 0.00 0.00 52.86 55.12 2a8k s ASN 77 Cb -0.15 -2.55 0.59 0.00 -0.55 0.00 0.00 41.25 38.59 2a8k s ASN 77 CO 0.05 -0.78 1.94 0.44 -2.79 0.00 0.00 177.10 175.96 2a8k h ASP 78 N 8.19 0.66 0.09 -4.21 3.32 -1.58 0.19 116.42 123.08 2a8k h ASP 78 Ca -0.38 -0.06 -0.12 0.00 0.02 0.00 0.00 57.03 56.49 2a8k h ASP 78 Cb 1.17 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 40.57 2a8k h ASP 78 CO 0.92 0.57 -0.53 -0.09 -1.72 0.00 0.00 179.24 178.39 2a8k h ARG 79 N 0.73 0.21 0.00 3.56 2.43 -1.92 -3.38 114.38 116.01 2a8k h ARG 79 Ca 0.18 -0.34 -0.10 0.00 -0.81 0.00 0.00 59.98 58.92 2a8k h ARG 79 Cb 0.10 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2a8k h ARG 79 CO -0.02 1.15 -1.34 0.25 -1.51 0.00 0.00 179.97 178.50 2a8k n THR 80 N -4.30 0.90 -0.99 0.20 -2.24 -1.23 -4.97 114.28 101.65 2a8k n THR 80 Ca -0.12 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 2a8k n THR 80 Cb 0.70 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 2a8k n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a8k n GLY 81 N 1.32 0.52 3.87 3.38 0.00 0.66 -4.86 105.19 110.08 2a8k n GLY 81 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 2a8k n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2a8k s GLU 82 N -0.20 3.81 -0.00 1.61 -1.05 -1.25 -1.60 118.70 120.02 2a8k s GLU 82 Ca 0.00 0.25 -0.30 0.00 -0.15 0.00 0.00 54.97 54.77 2a8k s GLU 82 Cb 0.00 -2.90 -0.06 0.00 -0.44 0.00 0.00 34.13 30.73 2a8k s GLU 82 CO 0.00 0.49 1.44 0.08 0.95 0.00 0.00 175.26 178.21 2a8k s VAL 83 N -1.51 3.65 -0.15 1.83 1.01 0.24 -1.22 120.40 124.25 2a8k s VAL 83 Ca 0.38 1.03 0.19 0.00 0.00 0.00 0.00 61.98 63.57 2a8k s VAL 83 Cb -0.14 -3.66 -0.26 0.00 0.00 0.00 0.00 36.38 32.32 2a8k s VAL 83 CO 0.20 -0.01 0.24 0.35 0.00 0.00 0.00 175.10 175.87 2a8k n THR 84 N 4.73 1.05 -3.65 3.92 -2.24 0.70 -4.76 114.28 114.03 2a8k n THR 84 Ca 0.14 -0.76 -0.15 0.00 -2.27 0.00 0.00 64.05 61.00 2a8k n THR 84 Cb 0.43 -0.39 -0.07 0.00 -2.10 0.00 0.00 70.33 68.20 2a8k n THR 84 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2a8k s GLN 85 N -2.77 0.84 -0.04 -0.78 -0.21 -1.20 -4.99 119.66 110.51 2a8k s GLN 85 Ca -0.09 0.08 0.01 0.00 0.02 0.00 0.00 55.36 55.38 2a8k s GLN 85 Cb 0.08 0.39 0.02 0.00 1.00 0.00 0.00 33.01 34.50 2a8k s GLN 85 CO 0.85 -0.24 -0.03 0.96 -2.12 0.00 0.00 175.29 174.71 2a8k s ILE 86 N -1.14 0.38 0.77 1.08 -4.36 -1.26 -0.87 121.20 115.79 2a8k s ILE 86 Ca -0.11 -0.04 -0.11 0.00 -0.26 0.00 0.00 60.65 60.12 2a8k s ILE 86 Cb -0.03 -0.43 0.06 0.00 1.25 0.00 0.00 42.46 43.31 2a8k s ILE 86 CO 0.07 0.19 1.11 -0.94 0.24 0.00 0.00 174.94 175.60 2a8k s SER 87 N 0.92 4.43 -0.73 4.36 1.04 -0.56 -4.95 113.70 118.21 2a8k s SER 87 Ca -0.11 1.92 -0.20 0.00 0.48 0.00 0.00 55.95 58.04 2a8k s SER 87 Cb -0.14 -2.53 0.11 0.00 0.10 0.00 0.00 66.02 63.55 2a8k s SER 87 CO -0.01 -2.09 0.91 -0.62 0.98 0.00 0.00 173.24 172.42 2a8k s ASP 88 N -3.11 6.35 0.08 7.02 -1.08 -1.26 -4.84 116.67 119.83 2a8k s ASP 88 Ca 0.63 -1.56 0.16 0.00 -0.52 0.00 0.00 52.55 51.27 2a8k s ASP 88 Cb -0.19 -2.36 0.70 0.00 -1.46 0.00 0.00 42.92 39.61 2a8k s ASP 88 CO 0.53 -1.17 1.51 0.29 0.52 0.00 0.00 175.17 176.86 2a8k n LYS 89 N 6.67 0.06 -0.19 4.34 5.02 -0.15 -1.87 118.16 132.04 2a8k n LYS 89 Ca 0.04 0.32 0.11 0.00 -2.02 0.00 0.00 58.31 56.76 2a8k n LYS 89 Cb 0.46 -1.62 0.26 0.00 -0.02 0.00 0.00 35.03 34.11 2a8k n LYS 89 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2a8k n THR 90 N -1.73 0.50 -3.72 -0.18 -2.24 -1.24 -4.78 114.28 100.89 2a8k n THR 90 Ca 0.03 -0.68 -0.38 0.00 -2.27 0.00 0.00 64.05 60.76 2a8k n THR 90 Cb 0.17 0.74 -0.11 0.00 -2.10 0.00 0.00 70.33 69.04 2a8k n THR 90 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2a8k s ASP 91 N -1.41 5.35 0.21 3.42 2.15 -0.78 -4.96 116.67 120.66 2a8k s ASP 91 Ca 0.38 -1.81 0.17 0.00 0.43 0.00 0.00 52.55 51.72 2a8k s ASP 91 Cb 0.21 -1.87 0.85 0.00 -0.30 0.00 0.00 42.92 41.81 2a8k s ASP 91 CO 0.30 -0.53 1.53 -0.81 -0.17 0.00 0.00 175.17 175.49 2a8k n PRO 92 N 4.71 0.11 -0.59 4.34 -0.04 -1.26 -1.70 135.00 140.57 2a8k n PRO 92 Ca -0.06 0.52 0.07 0.00 -0.04 0.00 0.00 63.50 63.98 2a8k n PRO 92 Cb 0.42 -1.80 0.29 0.00 -0.04 0.00 0.00 33.50 32.36 2a8k n PRO 92 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2a8k n GLY 93 N -0.85 3.87 3.74 0.55 0.00 -1.26 -5.02 105.19 106.21 2a8k n GLY 93 Ca 0.00 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 2a8k n GLY 93 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2a8k n TRP 94 N -0.30 2.80 -3.59 1.61 -0.00 -0.69 -4.97 117.44 112.30 2a8k n TRP 94 Ca 0.25 0.26 -0.40 0.00 -0.00 0.00 0.00 57.50 57.61 2a8k n TRP 94 Cb 1.00 -2.59 -0.11 0.00 -0.00 0.00 0.00 31.31 29.61 2a8k n TRP 94 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 2a8k s VAL 95 N 0.01 4.92 0.43 5.87 1.01 -1.26 -4.94 120.40 126.44 2a8k s VAL 95 Ca 0.65 -0.38 -0.26 0.00 0.00 0.00 0.00 61.98 61.99 2a8k s VAL 95 Cb -0.51 -3.54 -0.08 0.00 0.00 0.00 0.00 36.38 32.25 2a8k s VAL 95 CO 0.48 -0.00 1.37 -1.81 0.00 0.00 0.00 175.10 175.13 2a8k s ASP 96 N 1.66 6.08 -0.03 3.32 1.01 -1.26 -4.88 116.67 122.58 2a8k s ASP 96 Ca 0.05 2.79 -0.35 0.00 0.71 0.00 0.00 52.55 55.75 2a8k s ASP 96 Cb -0.17 -2.65 -0.13 0.00 1.01 0.00 0.00 42.92 40.98 2a8k s ASP 96 CO 0.08 -1.02 1.73 -0.67 0.21 0.00 0.00 175.17 175.50 2a8k n ASP 97 N -0.04 3.05 0.21 0.27 -0.08 -1.26 -4.82 116.55 113.88 2a8k n ASP 97 Ca 0.04 1.03 0.15 0.00 -1.51 0.00 0.00 54.79 54.50 2a8k n ASP 97 Cb 0.43 -1.34 0.72 0.00 2.34 0.00 0.00 41.12 43.27 2a8k n ASP 97 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2a8k h SER 98 N 7.62 0.00 0.94 1.67 4.64 -2.03 -2.38 113.55 124.02 2a8k h SER 98 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2a8k h SER 98 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2a8k h SER 98 CO 0.92 0.00 -0.03 0.54 -0.87 0.00 0.00 176.83 177.39 2a8k n ARG 99 N -2.56 0.03 -2.29 4.77 1.74 -1.26 -4.86 116.66 112.22 2a8k n ARG 99 Ca -0.01 -0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.66 2a8k n ARG 99 Cb 0.13 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 2a8k n ARG 99 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2a8k s ILE 100 N -2.97 3.37 -0.15 0.55 1.01 -0.90 -4.47 121.20 117.64 2a8k s ILE 100 Ca 0.15 1.15 0.02 0.00 0.00 0.00 0.00 60.65 61.97 2a8k s ILE 100 Cb 0.19 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.94 2a8k s ILE 100 CO 0.54 0.18 -0.22 -1.10 0.00 0.00 0.00 174.94 174.34 2a8k s GLN 101 N -0.24 3.00 0.08 2.79 -0.21 -0.25 -4.98 119.66 119.86 2a8k s GLN 101 Ca 0.54 -0.85 -0.15 0.00 0.02 0.00 0.00 55.36 54.93 2a8k s GLN 101 Cb -0.35 -2.46 -0.06 0.00 1.00 0.00 0.00 33.01 31.14 2a8k s GLN 101 CO 0.38 -0.06 0.50 -1.58 -2.12 0.00 0.00 175.29 172.42 2a8k s TRP 102 N 0.91 3.69 0.90 0.91 0.52 -1.26 -1.19 118.94 123.43 2a8k s TRP 102 Ca -0.05 1.07 -0.15 0.00 0.02 0.00 0.00 56.10 57.00 2a8k s TRP 102 Cb -0.15 -2.36 0.21 0.00 -1.15 0.00 0.00 33.47 30.02 2a8k s TRP 102 CO -0.04 0.54 1.18 0.41 0.02 0.00 0.00 176.95 179.06 2a8k n GLY 103 N 1.33 -1.60 3.74 0.98 0.00 0.76 -4.94 105.19 105.47 2a8k n GLY 103 Ca -0.09 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 2a8k n GLY 103 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2a8k s ASN 104 N -5.27 6.43 0.00 1.61 3.84 -1.26 -4.99 114.94 115.30 2a8k s ASN 104 Ca 0.68 2.87 0.19 0.00 0.21 0.00 0.00 52.86 56.80 2a8k s ASN 104 Cb -0.02 -2.62 1.11 0.00 -0.55 0.00 0.00 41.25 39.16 2a8k s ASN 104 CO 0.48 -0.89 1.50 0.29 -2.79 0.00 0.00 177.10 175.69