#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 2.46 -0.25 1.96 1.02 0.37 -4.97 119.74 120.33 2a8k s LYS 13 Ca 0.00 -0.67 0.00 0.00 0.02 0.00 0.00 55.97 55.32 2a8k s LYS 13 Cb 0.00 -1.94 0.04 0.00 -0.52 0.00 0.00 37.83 35.41 2a8k s LYS 13 CO 0.00 0.08 -0.09 0.42 -0.92 0.00 0.00 175.35 174.84 2a8k s ILE 14 N 0.57 2.53 0.90 2.17 1.01 -1.26 -1.02 121.20 126.09 2a8k s ILE 14 Ca -0.15 -1.27 -0.12 0.00 0.00 0.00 0.00 60.65 59.11 2a8k s ILE 14 Cb -0.17 -2.35 0.18 0.00 0.01 0.00 0.00 42.46 40.13 2a8k s ILE 14 CO 0.05 0.13 1.24 1.51 0.00 0.00 0.00 174.94 177.87 2a8k s ASP 15 N 1.23 3.48 0.26 3.58 1.47 -1.26 -4.81 116.67 120.62 2a8k s ASP 15 Ca -0.03 0.17 -0.04 0.00 1.18 0.00 0.00 52.55 53.83 2a8k s ASP 15 Cb -0.18 -0.32 0.34 0.00 -0.34 0.00 0.00 42.92 42.42 2a8k s ASP 15 CO -0.05 -2.48 1.90 -0.61 0.68 0.00 0.00 175.17 174.60 2a8k h GLN 16 N -1.36 1.21 0.26 2.11 4.15 -1.99 -0.43 115.11 119.07 2a8k h GLN 16 Ca -0.43 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 58.91 2a8k h GLN 16 Cb 1.25 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 28.67 2a8k h GLN 16 CO 0.41 0.80 -0.13 -0.22 -1.93 0.00 0.00 178.83 177.75 2a8k h LYS 17 N 1.24 -0.35 -0.72 1.69 3.64 -2.00 -1.20 116.57 118.88 2a8k h LYS 17 Ca 0.40 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.74 2a8k h LYS 17 Cb 0.03 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 2a8k h LYS 17 CO -0.13 -0.23 0.20 0.82 -2.27 0.00 0.00 179.45 177.83 2a8k h ILE 18 N -0.37 1.26 -0.99 2.00 1.08 -1.86 -2.09 117.51 116.55 2a8k h ILE 18 Ca -0.03 -0.92 0.06 0.00 -0.39 0.00 0.00 64.86 63.57 2a8k h ILE 18 Cb 0.29 0.49 -0.07 0.00 -3.07 0.00 0.00 36.82 34.46 2a8k h ILE 18 CO 0.05 0.36 0.64 0.03 -0.69 0.00 0.00 178.15 178.54 2a8k h ARG 19 N 1.07 1.13 -0.20 2.37 2.47 -0.85 0.25 114.38 120.62 2a8k h ARG 19 Ca 0.23 -0.07 -0.10 0.00 -1.26 0.00 0.00 59.98 58.79 2a8k h ARG 19 Cb 0.33 -0.26 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 2a8k h ARG 19 CO -0.00 0.75 -0.29 0.78 0.56 0.00 0.00 179.97 181.77 2a8k h GLY 20 N 1.17 0.43 2.00 0.04 0.00 -0.68 -3.10 103.07 102.92 2a8k h GLY 20 Ca 0.43 -0.36 -0.17 0.00 0.00 0.00 0.00 47.33 47.23 2a8k h GLY 20 CO -0.17 0.33 -0.79 1.46 0.00 0.00 0.00 176.54 177.37 2a8k h GLN 21 N 0.35 0.00 -0.29 4.80 4.20 -0.66 -3.39 115.11 120.11 2a8k h GLN 21 Ca 0.05 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.81 2a8k h GLN 21 Cb 0.69 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.39 2a8k h GLN 21 CO 0.05 0.79 -0.44 0.52 -0.67 0.00 0.00 178.83 179.08 2a8k h MET 22 N 0.00 -0.39 0.00 1.46 2.86 -0.90 1.00 114.93 118.95 2a8k h MET 22 Ca -0.01 0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 2a8k h MET 22 Cb 1.60 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 33.34 2a8k h MET 22 CO 0.10 -0.26 -0.29 -1.00 1.06 0.00 0.00 176.91 176.52 2a8k h PRO 23 N -0.41 0.00 -0.27 -0.22 0.13 -1.75 0.08 132.00 129.57 2a8k h PRO 23 Ca 0.10 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.11 2a8k h PRO 23 Cb 0.61 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 2a8k h PRO 23 CO -0.50 0.29 -0.37 0.93 -0.23 0.00 0.00 178.00 178.12 2a8k h GLU 24 N 0.00 0.60 -0.63 0.86 5.08 -1.53 -3.20 114.58 115.76 2a8k h GLU 24 Ca -0.00 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2a8k h GLU 24 Cb 0.60 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2a8k h GLU 24 CO 0.04 0.88 0.00 0.54 -1.00 0.00 0.00 179.01 179.47 2a8k n ARG 25 N -4.05 2.66 -1.52 2.33 1.74 0.26 -4.74 116.66 113.35 2a8k n ARG 25 Ca -0.01 -2.56 -0.02 0.00 -0.77 0.00 0.00 57.85 54.49 2a8k n ARG 25 Cb 0.50 -1.56 -0.01 0.00 -1.02 0.00 0.00 32.46 30.37 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 1.62 0.42 3.29 -0.13 0.00 -0.47 -0.68 105.19 109.25 2a8k n GLY 26 Ca 0.23 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.09 2.82 0.38 1.61 0.52 -0.11 -4.89 118.94 117.17 2a8k s TRP 27 Ca 0.00 -0.95 0.06 0.00 0.02 0.00 0.00 56.10 55.23 2a8k s TRP 27 Cb 0.00 -1.92 -0.00 0.00 -1.15 0.00 0.00 33.47 30.40 2a8k s TRP 27 CO 0.00 -0.44 0.53 0.95 0.02 0.00 0.00 176.95 178.01 2a8k s THR 28 N 0.84 3.77 0.25 2.01 -4.23 -1.26 -4.15 115.64 112.87 2a8k s THR 28 Ca -0.04 -0.93 -0.04 0.00 -1.18 0.00 0.00 61.69 59.50 2a8k s THR 28 Cb -0.15 -3.31 0.19 0.00 1.34 0.00 0.00 72.50 70.57 2a8k s THR 28 CO -0.00 -0.13 1.84 -0.08 -0.54 0.00 0.00 174.62 175.71 2a8k h GLU 29 N 0.75 1.07 -0.68 3.99 4.81 -1.99 -1.87 114.58 120.65 2a8k h GLU 29 Ca -0.44 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 58.58 2a8k h GLU 29 Cb 1.26 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.42 2a8k h GLU 29 CO 0.51 0.84 0.26 -0.44 -0.73 0.00 0.00 179.01 179.46 2a8k h ASP 30 N 1.06 0.93 -0.44 1.04 3.32 -1.99 -0.88 116.42 119.45 2a8k h ASP 30 Ca 0.25 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2a8k h ASP 30 Cb 0.15 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2a8k h ASP 30 CO -0.03 0.84 0.24 0.44 -1.72 0.00 0.00 179.24 179.01 2a8k h ASP 31 N 0.99 0.56 -0.22 6.45 3.32 -1.75 0.09 116.42 125.85 2a8k h ASP 31 Ca 0.23 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 2a8k h ASP 31 Cb 0.21 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2a8k h ASP 31 CO -0.02 0.50 0.11 0.40 -1.72 0.00 0.00 179.24 178.51 2a8k h ILE 32 N 0.58 1.13 -0.98 0.35 2.04 -0.99 -1.07 117.51 118.58 2a8k h ILE 32 Ca 0.16 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.65 2a8k h ILE 32 Cb 0.07 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 2a8k h ILE 32 CO -0.02 0.13 0.65 0.11 0.00 0.00 0.00 178.15 179.02 2a8k h LYS 33 N 0.24 1.29 -0.49 2.37 1.57 -0.93 -0.78 116.57 119.83 2a8k h LYS 33 Ca 0.08 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2a8k h LYS 33 Cb 0.11 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 2a8k h LYS 33 CO -0.01 0.85 0.01 -0.91 -0.57 0.00 0.00 179.45 178.82 2a8k h ASN 34 N 1.33 0.84 -0.59 0.86 2.35 -0.72 -0.32 115.58 119.33 2a8k h ASN 34 Ca 0.36 -0.30 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 2a8k h ASN 34 Cb -0.14 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 37.98 2a8k h ASN 34 CO -0.08 0.93 0.18 0.74 -1.65 0.00 0.00 177.43 177.56 2a8k h THR 35 N 0.72 1.24 -0.56 2.81 2.02 -0.76 -2.00 112.91 116.38 2a8k h THR 35 Ca 0.14 -0.82 -0.06 0.00 0.77 0.00 0.00 66.41 66.44 2a8k h THR 35 Cb 0.50 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 2a8k h THR 35 CO 0.02 0.31 0.11 0.58 0.37 0.00 0.00 175.52 176.91 2a8k h VAL 36 N 0.83 1.25 0.00 3.16 2.07 -1.02 -2.54 116.25 120.01 2a8k h VAL 36 Ca 0.19 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 2a8k h VAL 36 Cb 0.28 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2a8k h VAL 36 CO -0.01 0.34 -0.05 0.77 0.02 0.00 0.00 177.57 178.65 2a8k h SER 37 N 0.80 0.00 0.79 0.57 4.64 -0.75 -1.25 113.55 118.36 2a8k h SER 37 Ca 0.17 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.48 2a8k h SER 37 Cb 0.39 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2a8k h SER 37 CO 0.01 0.05 -0.05 -1.13 -0.87 0.00 0.00 176.83 174.83 2a8k h ASN 38 N 0.00 0.00 -5.00 4.97 -0.00 -0.91 -3.49 115.58 111.15 2a8k h ASN 38 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2a8k h ASN 38 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.55 2a8k h ASN 38 CO 0.01 0.05 0.00 0.61 -0.00 0.00 0.00 177.43 178.10 2a8k n GLY 39 N -0.19 2.91 3.77 1.57 0.00 -0.47 -5.04 105.19 107.74 2a8k n GLY 39 Ca -0.00 -1.87 -0.40 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.59 3.35 0.00 4.61 0.00 -1.26 -4.35 121.76 121.52 2a8k s ALA 40 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.34 2a8k s ALA 40 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2a8k s ALA 40 CO 0.00 -0.95 0.13 0.25 0.00 0.00 0.00 175.76 175.19 2a8k n THR 41 N 0.20 0.00 -4.00 0.00 -2.24 0.20 -4.98 114.28 103.46 2a8k n THR 41 Ca 0.03 -0.34 0.03 0.00 -2.27 0.00 0.00 64.05 61.50 2a8k n THR 41 Cb 0.42 1.13 0.01 0.00 -2.10 0.00 0.00 70.33 69.79 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 0.41 0.26 3.19 3.38 0.00 -1.12 -0.50 105.19 110.81 2a8k n GLY 42 Ca 0.00 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.03 0.98 0.00 2.61 -4.23 0.15 -0.88 115.64 112.24 2a8k s THR 43 Ca 0.20 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 2a8k s THR 43 Cb -0.00 -1.45 0.00 0.00 1.34 0.00 0.00 72.50 72.39 2a8k s THR 43 CO -0.01 -0.59 0.00 -0.24 -0.54 0.00 0.00 174.62 173.24 2a8k n SER 44 N 0.43 0.00 -3.87 3.99 2.88 -0.20 -1.25 113.62 115.60 2a8k n SER 44 Ca -0.15 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.30 2a8k n SER 44 Cb 0.58 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.96 2a8k n SER 44 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2a8k s PHE 45 N -2.08 0.14 -0.50 0.66 0.08 -1.26 -1.55 117.98 113.48 2a8k s PHE 45 Ca 0.00 -0.49 0.01 0.00 0.12 0.00 0.00 56.93 56.57 2a8k s PHE 45 Cb 0.00 -0.08 0.13 0.00 -0.57 0.00 0.00 43.02 42.50 2a8k s PHE 45 CO 0.00 -0.47 0.27 0.34 -0.10 0.00 0.00 175.22 175.26 2a8k s ASP 46 N -2.49 4.85 -0.47 1.36 2.15 0.28 -4.76 116.67 117.59 2a8k s ASP 46 Ca 0.00 -2.63 0.03 0.00 0.43 0.00 0.00 52.55 50.38 2a8k s ASP 46 Cb 0.02 -1.74 0.12 0.00 -0.30 0.00 0.00 42.92 41.03 2a8k s ASP 46 CO -0.08 -0.36 0.22 -0.54 -0.17 0.00 0.00 175.17 174.24 2a8k s LYS 47 N 0.25 1.91 -0.06 4.34 1.02 -1.26 -1.46 119.74 124.49 2a8k s LYS 47 Ca 0.14 -2.33 0.06 0.00 0.02 0.00 0.00 55.97 53.86 2a8k s LYS 47 Cb -0.22 -3.36 -0.01 0.00 -0.52 0.00 0.00 37.83 33.72 2a8k s LYS 47 CO -0.03 -1.06 -0.24 1.03 -0.92 0.00 0.00 175.35 174.12 2a8k s ARG 48 N 0.19 2.45 0.85 1.68 0.52 -0.45 -4.96 118.95 119.22 2a8k s ARG 48 Ca 0.15 -0.86 -0.11 0.00 -0.52 0.00 0.00 55.73 54.39 2a8k s ARG 48 Cb -0.23 -2.08 0.10 0.00 0.52 0.00 0.00 34.95 33.26 2a8k s ARG 48 CO -0.03 0.36 1.10 -1.54 0.02 0.00 0.00 175.30 175.21 2a8k s SER 49 N -0.12 3.79 0.25 0.23 1.04 -1.26 -0.95 113.70 116.68 2a8k s SER 49 Ca -0.04 1.83 -0.03 0.00 0.48 0.00 0.00 55.95 58.18 2a8k s SER 49 Cb -0.14 -2.45 0.46 0.00 0.10 0.00 0.00 66.02 63.99 2a8k s SER 49 CO 0.04 -2.49 1.77 -0.65 0.98 0.00 0.00 173.24 172.88 2a8k h PRO 50 N -1.44 0.59 0.00 4.02 0.11 -1.86 -1.15 132.00 132.27 2a8k h PRO 50 Ca -0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2a8k h PRO 50 Cb 1.25 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 2a8k h PRO 50 CO 0.50 0.39 -0.03 0.87 -0.21 0.00 0.00 178.00 179.51 2a8k h LYS 51 N 0.60 0.00 -0.17 1.05 1.57 -1.91 -2.30 116.57 115.41 2a8k h LYS 51 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 2a8k h LYS 51 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2a8k h LYS 51 CO -0.34 0.03 0.00 1.63 -0.57 0.00 0.00 179.45 180.21 2a8k n LYS 52 N -3.23 1.57 -2.79 3.15 4.76 -0.44 -4.38 118.16 116.80 2a8k n LYS 52 Ca -0.01 -0.87 -0.25 0.00 -2.87 0.00 0.00 58.31 54.31 2a8k n LYS 52 Cb 0.20 -1.32 -0.02 0.00 -1.84 0.00 0.00 35.03 32.05 2a8k n LYS 52 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2a8k n THR 53 N 0.12 2.39 -1.69 -0.18 -2.24 -0.87 -4.91 114.28 106.90 2a8k n THR 53 Ca 0.14 -5.11 -0.34 0.00 -2.27 0.00 0.00 64.05 56.47 2a8k n THR 53 Cb 0.25 -1.11 0.06 0.00 -2.10 0.00 0.00 70.33 67.43 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 -3.37 2.61 0.00 -0.78 0.04 -1.26 0.15 135.00 132.39 2a8k s PRO 54 Ca 0.46 1.56 0.25 0.00 0.04 0.00 0.00 61.00 63.32 2a8k s PRO 54 Cb 0.34 -1.91 0.58 0.00 0.04 0.00 0.00 34.50 33.55 2a8k s PRO 54 CO -0.14 -1.43 1.46 -0.35 0.04 0.00 0.00 177.00 176.58 2a8k n PRO 55 N -2.40 0.69 0.01 0.56 -0.04 -1.26 -4.77 135.00 127.80 2a8k n PRO 55 Ca 0.12 -0.44 -0.11 0.00 -0.04 0.00 0.00 63.50 63.03 2a8k n PRO 55 Cb 0.51 -1.49 0.02 0.00 -0.04 0.00 0.00 33.50 32.50 2a8k n PRO 55 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2a8k h ASP 56 N 1.06 0.65 -5.36 3.54 3.04 -1.90 -3.47 116.42 113.98 2a8k h ASP 56 Ca 0.00 -0.38 -0.41 0.00 -3.24 0.00 0.00 57.03 52.99 2a8k h ASP 56 Cb 0.53 -0.19 0.01 0.00 -1.04 0.00 0.00 39.33 38.65 2a8k h ASP 56 CO 0.00 1.12 -0.64 -1.22 -2.04 0.00 0.00 179.24 176.46 2a8k n TYR 57 N -3.92 -2.14 0.03 4.15 4.01 0.12 -4.88 117.16 114.53 2a8k n TYR 57 Ca -0.04 0.67 0.06 0.00 -0.16 0.00 0.00 57.90 58.43 2a8k n TYR 57 Cb 0.66 -4.07 -0.09 0.00 -0.31 0.00 0.00 39.34 35.54 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 -4.26 0.50 0.00 7.72 4.77 -1.26 -4.76 117.00 119.71 2a8k n LEU 58 Ca -0.03 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2a8k n LEU 58 Cb 0.57 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 2a8k n LEU 58 CO 0.58 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 2a8k n GLY 59 N 1.32 -1.26 3.03 -0.72 0.00 -1.26 -4.72 105.19 101.58 2a8k n GLY 59 Ca -0.07 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.08 0.24 -0.43 1.61 1.81 -0.12 -4.95 118.95 115.04 2a8k s ARG 60 Ca 0.00 -0.01 0.08 0.00 -1.72 0.00 0.00 55.73 54.08 2a8k s ARG 60 Cb 0.00 0.11 0.28 0.00 -0.45 0.00 0.00 34.95 34.88 2a8k s ARG 60 CO 0.00 -0.04 0.77 -1.71 -0.68 0.00 0.00 175.30 173.64 2a8k n ASN 61 N 2.54 -1.12 -4.35 0.23 5.15 -1.10 -1.35 115.26 115.27 2a8k n ASN 61 Ca -0.16 -3.11 -0.23 0.00 -0.60 0.00 0.00 54.58 50.48 2a8k n ASN 61 Cb 0.58 0.58 -0.11 0.00 -0.53 0.00 0.00 39.78 40.30 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 -1.58 2.83 0.58 1.20 1.01 -0.53 -4.99 116.67 115.19 2a8k s ASP 62 Ca 0.33 -0.84 -0.18 0.00 0.71 0.00 0.00 52.55 52.57 2a8k s ASP 62 Cb 0.24 -0.18 -0.04 0.00 1.01 0.00 0.00 42.92 43.95 2a8k s ASP 62 CO -0.14 0.01 1.11 -2.84 0.21 0.00 0.00 175.17 173.52 2a8k s PRO 63 N -2.66 3.24 0.06 8.23 0.02 -1.26 -0.56 135.00 142.07 2a8k s PRO 63 Ca 0.16 1.48 0.03 0.00 0.02 0.00 0.00 61.00 62.68 2a8k s PRO 63 Cb -0.07 -2.00 -0.03 0.00 0.02 0.00 0.00 34.50 32.42 2a8k s PRO 63 CO 0.07 -0.91 -0.09 0.00 -0.33 0.00 0.00 177.00 175.73 2a8k s ALA 64 N -2.03 0.82 -0.03 -1.55 0.00 -0.59 -1.13 121.76 117.25 2a8k s ALA 64 Ca 0.69 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.77 2a8k s ALA 64 Cb -0.21 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 2a8k s ALA 64 CO 0.31 -0.01 -0.17 0.99 0.00 0.00 0.00 175.76 176.89 2a8k s THR 65 N -1.75 2.84 -0.10 0.00 2.01 -0.05 -1.03 115.64 117.56 2a8k s THR 65 Ca -0.04 -0.88 -0.09 0.00 0.31 0.00 0.00 61.69 61.00 2a8k s THR 65 Cb -0.07 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 2a8k s THR 65 CO 0.00 0.54 0.20 -0.69 -0.69 0.00 0.00 174.62 173.99 2a8k s VAL 66 N -0.75 5.39 0.04 3.82 1.01 -0.06 -1.08 120.40 128.78 2a8k s VAL 66 Ca 0.12 0.36 0.05 0.00 0.00 0.00 0.00 61.98 62.51 2a8k s VAL 66 Cb -0.10 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 2a8k s VAL 66 CO 0.01 0.60 -0.15 -0.31 0.00 0.00 0.00 175.10 175.25 2a8k s TYR 67 N -0.94 1.28 0.00 5.22 2.02 -0.24 -0.63 117.35 124.06 2a8k s TYR 67 Ca 0.17 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 2a8k s TYR 67 Cb -0.13 -0.76 0.00 0.00 -0.40 0.00 0.00 41.96 40.67 2a8k s TYR 67 CO 0.06 0.04 0.00 0.41 -1.57 0.00 0.00 175.55 174.49 2a8k n GLY 68 N 1.87 -1.79 3.60 0.71 0.00 -1.26 -1.35 105.19 106.97 2a8k n GLY 68 Ca -0.18 -2.01 -0.27 0.00 0.00 0.00 0.00 46.02 43.55 2a8k n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a8k s SER 69 N -4.00 3.55 0.17 1.61 0.01 -0.57 -4.74 113.70 109.73 2a8k s SER 69 Ca 0.00 -1.43 -0.33 0.00 1.31 0.00 0.00 55.95 55.49 2a8k s SER 69 Cb 0.00 -0.14 -0.14 0.00 0.21 0.00 0.00 66.02 65.95 2a8k s SER 69 CO 0.00 -0.57 1.44 -2.65 0.41 0.00 0.00 173.24 171.87 2a8k n PRO 70 N -0.95 1.85 0.00 12.44 -0.02 -1.26 -0.23 135.00 146.83 2a8k n PRO 70 Ca -0.07 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2a8k n PRO 70 Cb 0.67 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 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 2.96 2.24 -1.23 0.00 -1.26 -4.83 105.19 105.80 2a8k n GLY 71 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.00 1.06 -4.28 1.61 5.02 0.68 -4.15 118.16 116.11 2a8k n LYS 72 Ca 0.00 -3.46 -0.15 0.00 -2.02 0.00 0.00 58.31 52.68 2a8k n LYS 72 Cb 0.00 -1.53 -0.10 0.00 -0.02 0.00 0.00 35.03 33.38 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 -1.87 1.36 0.03 2.13 -0.85 -1.13 -1.51 117.35 115.51 2a8k s TYR 73 Ca 0.38 -0.91 0.03 0.00 -0.52 0.00 0.00 57.07 56.04 2a8k s TYR 73 Cb 0.24 -0.76 -0.02 0.00 0.38 0.00 0.00 41.96 41.80 2a8k s TYR 73 CO -0.09 -0.06 -0.08 0.14 -1.52 0.00 0.00 175.55 173.93 2a8k s VAL 74 N -3.47 0.62 -0.07 -3.49 -7.23 -0.46 -1.28 120.40 105.02 2a8k s VAL 74 Ca 0.24 -0.91 0.05 0.00 -1.81 0.00 0.00 61.98 59.54 2a8k s VAL 74 Cb 0.05 -0.64 -0.01 0.00 0.56 0.00 0.00 36.38 36.34 2a8k s VAL 74 CO 0.05 -0.22 -0.21 -0.69 -0.31 0.00 0.00 175.10 173.72 2a8k s VAL 75 N -1.05 2.41 -0.04 1.32 1.01 0.23 -1.08 120.40 123.19 2a8k s VAL 75 Ca -0.06 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.02 2a8k s VAL 75 Cb -0.08 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.39 2a8k s VAL 75 CO 0.01 0.57 -0.13 -0.69 0.00 0.00 0.00 175.10 174.85 2a8k s VAL 76 N -0.18 1.14 0.00 2.92 1.01 -0.24 -0.37 120.40 124.68 2a8k s VAL 76 Ca -0.02 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 2a8k s VAL 76 Cb -0.14 -1.00 -0.06 0.00 0.00 0.00 0.00 36.38 35.18 2a8k s VAL 76 CO 0.03 0.34 1.58 0.21 0.00 0.00 0.00 175.10 177.26 2a8k s ASN 77 N 0.29 6.70 0.40 3.32 3.84 0.28 -0.87 114.94 128.90 2a8k s ASN 77 Ca -0.07 2.28 0.10 0.00 0.21 0.00 0.00 52.86 55.38 2a8k s ASN 77 Cb -0.12 -2.55 0.85 0.00 -0.55 0.00 0.00 41.25 38.88 2a8k s ASN 77 CO 0.02 -0.85 1.95 0.44 -2.79 0.00 0.00 177.10 175.87 2a8k h ASP 78 N 8.62 0.21 0.17 -4.21 3.32 -1.46 0.38 116.42 123.44 2a8k h ASP 78 Ca -0.40 -0.04 -0.34 0.00 0.02 0.00 0.00 57.03 56.28 2a8k h ASP 78 Cb 1.18 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2a8k h ASP 78 CO 0.93 0.33 -1.72 -0.09 -1.72 0.00 0.00 179.24 176.97 2a8k h ARG 79 N 0.22 0.35 0.00 3.56 2.43 -1.91 -3.40 114.38 115.63 2a8k h ARG 79 Ca 0.05 -0.60 -0.01 0.00 -0.81 0.00 0.00 59.98 58.61 2a8k h ARG 79 Cb 0.30 0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2a8k h ARG 79 CO 0.02 1.29 -1.84 0.25 -1.51 0.00 0.00 179.97 178.17 2a8k n THR 80 N -3.65 0.16 -0.89 0.20 -2.24 -1.22 -4.98 114.28 101.66 2a8k n THR 80 Ca -0.26 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 2a8k n THR 80 Cb 1.04 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 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 1.26 0.78 3.72 3.38 0.00 0.12 -4.70 105.19 109.76 2a8k n GLY 81 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2a8k n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a8k s GLU 82 N -0.11 4.46 -0.04 1.61 2.02 -1.25 -0.48 118.70 124.91 2a8k s GLU 82 Ca 0.00 1.82 -0.30 0.00 0.02 0.00 0.00 54.97 56.51 2a8k s GLU 82 Cb 0.00 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 2a8k s GLU 82 CO 0.00 -0.18 1.25 0.08 0.02 0.00 0.00 175.26 176.43 2a8k s VAL 83 N 0.56 4.12 -0.13 2.63 1.01 -0.19 -0.56 120.40 127.84 2a8k s VAL 83 Ca 0.56 1.46 0.14 0.00 0.00 0.00 0.00 61.98 64.14 2a8k s VAL 83 Cb -0.31 -3.94 -0.19 0.00 0.00 0.00 0.00 36.38 31.94 2a8k s VAL 83 CO 0.32 -0.00 0.10 0.35 0.00 0.00 0.00 175.10 175.87 2a8k n THR 84 N 4.62 0.87 -3.76 3.92 -2.24 0.50 -4.74 114.28 113.45 2a8k n THR 84 Ca 0.11 -0.59 -0.13 0.00 -2.27 0.00 0.00 64.05 61.17 2a8k n THR 84 Cb 0.46 -0.49 -0.10 0.00 -2.10 0.00 0.00 70.33 68.10 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 -2.48 0.53 -0.01 -0.78 -1.52 -1.21 -4.99 119.66 109.21 2a8k s GLN 85 Ca -0.07 0.15 0.01 0.00 -1.95 0.00 0.00 55.36 53.50 2a8k s GLN 85 Cb 0.05 0.25 0.01 0.00 -0.22 0.00 0.00 33.01 33.09 2a8k s GLN 85 CO 0.62 -0.11 -0.02 0.96 -0.25 0.00 0.00 175.29 176.49 2a8k s ILE 86 N -0.55 0.17 0.76 1.08 -4.36 -1.26 -0.60 121.20 116.43 2a8k s ILE 86 Ca -0.07 -0.05 -0.12 0.00 -0.26 0.00 0.00 60.65 60.16 2a8k s ILE 86 Cb -0.04 -0.18 0.05 0.00 1.25 0.00 0.00 42.46 43.54 2a8k s ILE 86 CO 0.02 0.07 1.11 -0.94 0.24 0.00 0.00 174.94 175.44 2a8k s SER 87 N 0.20 4.91 -0.65 4.36 1.04 -0.41 -4.99 113.70 118.16 2a8k s SER 87 Ca -0.02 1.14 -0.19 0.00 0.48 0.00 0.00 55.95 57.36 2a8k s SER 87 Cb -0.04 -1.86 0.11 0.00 0.10 0.00 0.00 66.02 64.33 2a8k s SER 87 CO -0.01 -1.69 0.77 -0.62 0.98 0.00 0.00 173.24 172.68 2a8k s ASP 88 N -4.22 6.27 0.12 7.02 -1.08 -1.26 -4.83 116.67 118.70 2a8k s ASP 88 Ca 0.60 -1.57 0.19 0.00 -0.52 0.00 0.00 52.55 51.24 2a8k s ASP 88 Cb -0.12 -2.31 0.79 0.00 -1.46 0.00 0.00 42.92 39.81 2a8k s ASP 88 CO 0.52 -1.09 1.58 0.29 0.52 0.00 0.00 175.17 176.99 2a8k n LYS 89 N 6.26 0.09 -0.16 4.34 5.02 0.15 -2.02 118.16 131.84 2a8k n LYS 89 Ca -0.04 0.34 0.10 0.00 -2.02 0.00 0.00 58.31 56.68 2a8k n LYS 89 Cb 0.44 -1.68 0.28 0.00 -0.02 0.00 0.00 35.03 34.05 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 -1.85 0.42 -3.95 -0.18 -2.24 -1.23 -4.62 114.28 100.62 2a8k n THR 90 Ca 0.03 -0.54 -0.31 0.00 -2.27 0.00 0.00 64.05 60.96 2a8k n THR 90 Cb 0.20 0.49 -0.15 0.00 -2.10 0.00 0.00 70.33 68.77 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 -1.35 4.56 0.63 3.42 -1.08 -0.86 -4.98 116.67 117.01 2a8k s ASP 91 Ca 0.33 -1.98 0.33 0.00 -0.52 0.00 0.00 52.55 50.72 2a8k s ASP 91 Cb 0.18 -1.44 1.88 0.00 -1.46 0.00 0.00 42.92 42.08 2a8k s ASP 91 CO 0.26 -0.37 2.15 1.55 0.52 0.00 0.00 175.17 179.27 2a8k h PRO 92 N 7.74 0.00 -0.64 4.34 0.13 -1.82 -1.19 132.00 140.55 2a8k h PRO 92 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2a8k h PRO 92 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2a8k h PRO 92 CO 0.50 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.68 2a8k n GLY 93 N -1.27 2.60 3.61 1.56 0.00 -1.26 -4.99 105.19 105.44 2a8k n GLY 93 Ca -0.01 -0.77 -0.48 0.00 0.00 0.00 0.00 46.02 44.76 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 0.74 1.59 -3.24 1.61 -0.00 -0.45 -4.92 117.44 112.77 2a8k n TRP 94 Ca 0.23 0.59 -0.43 0.00 -0.00 0.00 0.00 57.50 57.90 2a8k n TRP 94 Cb 0.95 -2.34 -0.08 0.00 -0.00 0.00 0.00 31.31 29.83 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 -0.08 4.99 0.56 5.87 1.01 -1.26 -4.82 120.40 126.67 2a8k s VAL 95 Ca 0.72 -0.13 -0.21 0.00 0.00 0.00 0.00 61.98 62.37 2a8k s VAL 95 Cb -0.79 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 31.46 2a8k s VAL 95 CO 0.51 -0.46 1.31 -1.81 0.00 0.00 0.00 175.10 174.65 2a8k s ASP 96 N 1.87 5.25 -0.23 3.32 1.01 -1.26 -4.87 116.67 121.75 2a8k s ASP 96 Ca 0.16 2.65 -0.28 0.00 0.71 0.00 0.00 52.55 55.78 2a8k s ASP 96 Cb -0.16 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.11 2a8k s ASP 96 CO 0.15 -1.57 1.97 -0.62 0.21 0.00 0.00 175.17 175.31 2a8k s ASP 97 N -1.14 5.83 0.39 0.27 -1.08 -1.26 -4.82 116.67 114.86 2a8k s ASP 97 Ca 0.73 1.73 0.27 0.00 -0.52 0.00 0.00 52.55 54.76 2a8k s ASP 97 Cb -0.37 -2.52 1.43 0.00 -1.46 0.00 0.00 42.92 39.99 2a8k s ASP 97 CO 0.43 -1.69 1.82 0.77 0.52 0.00 0.00 175.17 177.03 2a8k h SER 98 N 13.28 0.00 1.24 -0.34 4.64 -2.05 -2.13 113.55 128.19 2a8k h SER 98 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2a8k h SER 98 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2a8k h SER 98 CO 0.99 0.00 -0.07 0.54 -0.87 0.00 0.00 176.83 177.42 2a8k n ARG 99 N -2.45 0.17 -1.94 4.77 1.74 -1.26 -4.86 116.66 112.83 2a8k n ARG 99 Ca -0.01 0.13 -0.41 0.00 -0.77 0.00 0.00 57.85 56.78 2a8k n ARG 99 Cb 0.07 -1.69 -0.02 0.00 -1.02 0.00 0.00 32.46 29.80 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 -3.07 2.48 -0.51 0.55 1.01 -0.80 -4.91 121.20 115.94 2a8k s ILE 100 Ca 0.11 0.41 -0.16 0.00 0.00 0.00 0.00 60.65 61.01 2a8k s ILE 100 Cb 0.15 -3.26 0.11 0.00 0.01 0.00 0.00 42.46 39.46 2a8k s ILE 100 CO 0.59 0.07 0.46 -1.10 0.00 0.00 0.00 174.94 174.95 2a8k s GLN 101 N -0.46 2.99 0.36 2.79 -0.21 -0.38 -4.96 119.66 119.79 2a8k s GLN 101 Ca 0.60 -1.56 -0.21 0.00 0.02 0.00 0.00 55.36 54.21 2a8k s GLN 101 Cb -0.44 -4.23 -0.10 0.00 1.00 0.00 0.00 33.01 29.24 2a8k s GLN 101 CO 0.45 -1.21 0.89 -1.58 -2.12 0.00 0.00 175.29 171.72 2a8k s TRP 102 N 1.63 3.47 0.00 0.91 0.52 -1.26 -0.68 118.94 123.53 2a8k s TRP 102 Ca 0.04 1.57 0.00 0.00 0.02 0.00 0.00 56.10 57.72 2a8k s TRP 102 Cb -0.28 -2.79 0.00 0.00 -1.15 0.00 0.00 33.47 29.25 2a8k s TRP 102 CO 0.05 0.07 0.00 0.41 0.02 0.00 0.00 176.95 177.50 2a8k n GLY 103 N -0.08 0.35 3.78 0.98 0.00 0.35 -4.76 105.19 105.80 2a8k n GLY 103 Ca 0.04 -0.89 -0.39 0.00 0.00 0.00 0.00 46.02 44.78 2a8k n GLY 103 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2a8k s ASN 104 N -4.00 7.22 0.00 1.61 0.01 -1.26 -4.67 114.94 113.85 2a8k s ASN 104 Ca 0.00 1.44 0.25 0.00 -0.71 0.00 0.00 52.86 53.85 2a8k s ASN 104 Cb 0.00 -2.43 1.52 0.00 0.41 0.00 0.00 41.25 40.74 2a8k s ASN 104 CO 0.00 0.20 1.87 0.29 -1.51 0.00 0.00 177.10 177.95