#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 0.34 -4.97 119.74 120.29 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 -1.93 0.04 0.00 -0.52 0.00 0.00 37.83 35.42 2a8k s LYS 13 CO 0.00 0.09 -0.09 0.42 -0.92 0.00 0.00 175.35 174.85 2a8k s ILE 14 N 0.56 2.51 0.90 2.17 1.01 -1.26 -1.04 121.20 126.05 2a8k s ILE 14 Ca -0.15 -1.29 -0.12 0.00 0.00 0.00 0.00 60.65 59.08 2a8k s ILE 14 Cb -0.17 -2.34 0.17 0.00 0.01 0.00 0.00 42.46 40.13 2a8k s ILE 14 CO 0.05 0.12 1.24 1.51 0.00 0.00 0.00 174.94 177.87 2a8k s ASP 15 N 1.23 3.51 0.26 3.58 1.47 -1.26 -4.81 116.67 120.65 2a8k s ASP 15 Ca -0.03 0.19 -0.04 0.00 1.18 0.00 0.00 52.55 53.85 2a8k s ASP 15 Cb -0.18 -0.35 0.35 0.00 -0.34 0.00 0.00 42.92 42.40 2a8k s ASP 15 CO -0.05 -2.47 1.89 -0.61 0.68 0.00 0.00 175.17 174.61 2a8k h GLN 16 N -1.35 1.18 0.27 2.11 4.15 -1.98 -0.45 115.11 119.05 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 0.78 -0.15 -0.22 -1.93 0.00 0.00 178.83 177.73 2a8k h LYS 17 N 1.22 -0.38 -0.73 1.69 3.64 -2.00 -1.18 116.57 118.85 2a8k h LYS 17 Ca 0.41 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.75 2a8k h LYS 17 Cb 0.06 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 2a8k h LYS 17 CO -0.14 -0.25 0.23 0.82 -2.27 0.00 0.00 179.45 177.83 2a8k h ILE 18 N -0.39 1.26 -0.98 2.00 1.08 -1.85 -2.05 117.51 116.58 2a8k h ILE 18 Ca -0.03 -0.90 0.06 0.00 -0.39 0.00 0.00 64.86 63.60 2a8k h ILE 18 Cb 0.31 0.46 -0.06 0.00 -3.07 0.00 0.00 36.82 34.45 2a8k h ILE 18 CO 0.05 0.35 0.63 0.03 -0.69 0.00 0.00 178.15 178.52 2a8k h ARG 19 N 1.08 1.12 -0.24 2.37 2.47 -0.85 0.25 114.38 120.58 2a8k h ARG 19 Ca 0.24 -0.07 -0.09 0.00 -1.26 0.00 0.00 59.98 58.79 2a8k h ARG 19 Cb 0.30 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 2a8k h ARG 19 CO -0.01 0.74 -0.25 0.78 0.56 0.00 0.00 179.97 181.79 2a8k h GLY 20 N 1.16 0.49 2.00 0.04 0.00 -0.66 -3.09 103.07 103.00 2a8k h GLY 20 Ca 0.42 -0.40 -0.16 0.00 0.00 0.00 0.00 47.33 47.19 2a8k h GLY 20 CO -0.16 0.36 -0.76 1.46 0.00 0.00 0.00 176.54 177.44 2a8k h GLN 21 N 0.40 0.00 -0.28 4.80 4.20 -0.64 -3.39 115.11 120.20 2a8k h GLN 21 Ca 0.06 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.82 2a8k h GLN 21 Cb 0.66 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.36 2a8k h GLN 21 CO 0.05 0.76 -0.45 0.52 -0.67 0.00 0.00 178.83 179.04 2a8k h MET 22 N 0.00 -0.40 0.00 1.46 2.86 -0.90 0.94 114.93 118.89 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 1.57 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 33.31 2a8k h MET 22 CO 0.10 -0.27 -0.29 -1.00 1.06 0.00 0.00 176.91 176.51 2a8k h PRO 23 N -0.42 0.00 -0.26 -0.22 0.13 -1.75 0.10 132.00 129.59 2a8k h PRO 23 Ca 0.10 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.10 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 0.58 -0.60 0.86 5.08 -1.53 -3.20 114.58 115.76 2a8k h GLU 24 Ca -0.00 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 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 0.86 0.00 0.54 -1.00 0.00 0.00 179.01 179.44 2a8k n ARG 25 N -4.05 2.64 -1.52 2.33 1.74 0.24 -4.74 116.66 113.31 2a8k n ARG 25 Ca -0.01 -2.52 -0.02 0.00 -0.77 0.00 0.00 57.85 54.53 2a8k n ARG 25 Cb 0.50 -1.55 -0.01 0.00 -1.02 0.00 0.00 32.46 30.38 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 1.59 0.42 3.29 -0.13 0.00 -0.46 -0.68 105.19 109.22 2a8k n GLY 26 Ca 0.22 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 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 2.83 0.38 1.61 0.52 -0.10 -4.89 118.94 117.19 2a8k s TRP 27 Ca 0.00 -0.96 0.06 0.00 0.02 0.00 0.00 56.10 55.22 2a8k s TRP 27 Cb 0.00 -1.92 -0.00 0.00 -1.15 0.00 0.00 33.47 30.39 2a8k s TRP 27 CO 0.00 -0.45 0.53 0.95 0.02 0.00 0.00 176.95 178.00 2a8k s THR 28 N 0.86 3.78 0.25 2.01 -4.23 -1.26 -4.15 115.64 112.90 2a8k s THR 28 Ca -0.04 -0.92 -0.05 0.00 -1.18 0.00 0.00 61.69 59.51 2a8k s THR 28 Cb -0.15 -3.32 0.19 0.00 1.34 0.00 0.00 72.50 70.57 2a8k s THR 28 CO -0.00 -0.14 1.85 -0.08 -0.54 0.00 0.00 174.62 175.71 2a8k h GLU 29 N 0.74 1.10 -0.68 3.99 4.81 -1.99 -1.85 114.58 120.70 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 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 2a8k h GLU 29 CO 0.52 0.85 0.26 -0.44 -0.73 0.00 0.00 179.01 179.47 2a8k h ASP 30 N 1.09 0.92 -0.43 1.04 3.32 -1.99 -0.93 116.42 119.44 2a8k h ASP 30 Ca 0.26 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 2a8k h ASP 30 Cb 0.12 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2a8k h ASP 30 CO -0.03 0.83 0.23 0.44 -1.72 0.00 0.00 179.24 178.99 2a8k h ASP 31 N 0.98 0.55 -0.23 6.45 3.32 -1.75 0.03 116.42 125.78 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 0.20 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2a8k h ASP 31 CO -0.02 0.49 0.12 0.40 -1.72 0.00 0.00 179.24 178.51 2a8k h ILE 32 N 0.56 1.13 -0.98 0.35 2.04 -0.99 -1.02 117.51 118.60 2a8k h ILE 32 Ca 0.15 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.68 2a8k h ILE 32 Cb 0.07 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 2a8k h ILE 32 CO -0.02 0.12 0.65 0.11 0.00 0.00 0.00 178.15 179.01 2a8k h LYS 33 N 0.25 1.28 -0.47 2.37 1.57 -0.94 -0.75 116.57 119.88 2a8k h LYS 33 Ca 0.08 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2a8k h LYS 33 Cb 0.09 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 2a8k h LYS 33 CO -0.01 0.85 0.02 -0.91 -0.57 0.00 0.00 179.45 178.82 2a8k h ASN 34 N 1.32 0.80 -0.59 0.86 2.35 -0.73 -0.24 115.58 119.35 2a8k h ASN 34 Ca 0.36 -0.30 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 2a8k h ASN 34 Cb -0.14 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 37.99 2a8k h ASN 34 CO -0.08 0.90 0.21 0.74 -1.65 0.00 0.00 177.43 177.55 2a8k h THR 35 N 0.68 1.24 -0.55 2.81 2.02 -0.74 -1.96 112.91 116.39 2a8k h THR 35 Ca 0.14 -0.78 -0.06 0.00 0.77 0.00 0.00 66.41 66.47 2a8k h THR 35 Cb 0.48 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 2a8k h THR 35 CO 0.02 0.30 0.11 0.58 0.37 0.00 0.00 175.52 176.90 2a8k h VAL 36 N 0.84 1.25 0.00 3.16 2.07 -1.01 -2.53 116.25 120.03 2a8k h VAL 36 Ca 0.19 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 2a8k h VAL 36 Cb 0.26 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2a8k h VAL 36 CO -0.01 0.34 -0.05 0.77 0.02 0.00 0.00 177.57 178.64 2a8k h SER 37 N 0.80 0.00 0.78 0.57 4.64 -0.72 -1.27 113.55 118.35 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 0.38 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 -0.90 -3.49 115.58 111.16 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 0.00 177.43 178.09 2a8k n GLY 39 N -0.20 2.91 3.77 1.57 0.00 -0.48 -5.04 105.19 107.72 2a8k n GLY 39 Ca -0.00 -1.86 -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 -2.58 3.35 0.00 4.61 0.00 -1.26 -4.35 121.76 121.53 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 -0.96 0.14 0.25 0.00 0.00 0.00 175.76 175.19 2a8k n THR 41 N 0.18 0.00 -4.00 0.00 -2.24 0.19 -4.98 114.28 103.42 2a8k n THR 41 Ca 0.03 -0.33 0.03 0.00 -2.27 0.00 0.00 64.05 61.51 2a8k n THR 41 Cb 0.42 1.15 0.01 0.00 -2.10 0.00 0.00 70.33 69.81 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 0.37 0.26 3.18 3.38 0.00 -1.12 -0.56 105.19 110.71 2a8k n GLY 42 Ca 0.00 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 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 0.93 0.00 2.61 -4.23 0.16 -0.90 115.64 112.19 2a8k s THR 43 Ca 0.20 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 2a8k s THR 43 Cb -0.00 -1.42 0.00 0.00 1.34 0.00 0.00 72.50 72.42 2a8k s THR 43 CO -0.01 -0.60 0.00 -0.24 -0.54 0.00 0.00 174.62 173.22 2a8k n SER 44 N 0.45 0.00 -3.86 3.99 2.88 -0.22 -1.23 113.62 115.62 2a8k n SER 44 Ca -0.15 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.29 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 -2.02 0.11 -0.50 0.66 0.08 -1.26 -1.57 117.98 113.49 2a8k s PHE 45 Ca 0.00 -0.44 0.00 0.00 0.12 0.00 0.00 56.93 56.61 2a8k s PHE 45 Cb 0.00 -0.05 0.13 0.00 -0.57 0.00 0.00 43.02 42.53 2a8k s PHE 45 CO 0.00 -0.48 0.27 0.34 -0.10 0.00 0.00 175.22 175.24 2a8k s ASP 46 N -2.47 4.88 -0.47 1.36 2.15 0.33 -4.76 116.67 117.69 2a8k s ASP 46 Ca -0.00 -2.61 0.03 0.00 0.43 0.00 0.00 52.55 50.40 2a8k s ASP 46 Cb 0.02 -1.74 0.12 0.00 -0.30 0.00 0.00 42.92 41.02 2a8k s ASP 46 CO -0.07 -0.37 0.21 -0.54 -0.17 0.00 0.00 175.17 174.23 2a8k s LYS 47 N 0.29 1.88 -0.06 4.34 1.02 -1.26 -1.45 119.74 124.51 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 -3.34 -0.01 0.00 -0.52 0.00 0.00 37.83 33.74 2a8k s LYS 47 CO -0.03 -1.06 -0.24 1.03 -0.92 0.00 0.00 175.35 174.13 2a8k s ARG 48 N 0.20 2.46 0.85 1.68 0.52 -0.47 -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 33.27 2a8k s ARG 48 CO -0.03 0.35 1.10 -1.54 0.02 0.00 0.00 175.30 175.20 2a8k s SER 49 N -0.11 3.77 0.25 0.23 1.04 -1.26 -0.97 113.70 116.66 2a8k s SER 49 Ca -0.04 1.82 -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 64.00 2a8k s SER 49 CO 0.04 -2.50 1.77 -0.65 0.98 0.00 0.00 173.24 172.88 2a8k h PRO 50 N -1.45 0.61 0.00 4.02 0.11 -1.86 -1.18 132.00 132.25 2a8k h PRO 50 Ca -0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2a8k h PRO 50 Cb 1.25 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 2a8k h PRO 50 CO 0.50 0.40 -0.03 0.87 -0.21 0.00 0.00 178.00 179.53 2a8k h LYS 51 N 0.63 0.00 -0.16 1.05 1.57 -1.91 -2.32 116.57 115.42 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 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2a8k h LYS 51 CO -0.33 0.03 0.00 1.63 -0.57 0.00 0.00 179.45 180.21 2a8k n LYS 52 N -3.23 1.56 -2.80 3.15 4.76 -0.45 -4.38 118.16 116.77 2a8k n LYS 52 Ca -0.01 -0.85 -0.25 0.00 -2.87 0.00 0.00 58.31 54.33 2a8k n LYS 52 Cb 0.21 -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 0.10 2.40 -1.72 -0.18 -2.24 -0.87 -4.91 114.28 106.86 2a8k n THR 53 Ca 0.14 -5.13 -0.34 0.00 -2.27 0.00 0.00 64.05 56.45 2a8k n THR 53 Cb 0.25 -1.12 0.06 0.00 -2.10 0.00 0.00 70.33 67.42 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 2.65 0.00 -0.78 0.04 -1.26 0.19 135.00 132.47 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 -1.92 0.58 0.00 0.04 0.00 0.00 34.50 33.54 2a8k s PRO 54 CO -0.14 -1.40 1.45 -0.35 0.04 0.00 0.00 177.00 176.61 2a8k n PRO 55 N -2.35 0.69 0.01 0.56 -0.04 -1.26 -4.77 135.00 127.84 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 0.63 -5.36 3.54 3.04 -1.90 -3.47 116.42 113.96 2a8k h ASP 56 Ca 0.00 -0.38 -0.41 0.00 -3.24 0.00 0.00 57.03 53.00 2a8k h ASP 56 Cb 0.53 -0.18 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 -3.91 -2.13 0.03 4.15 4.01 0.13 -4.88 117.16 114.56 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 -4.02 -0.09 0.00 -0.31 0.00 0.00 39.34 35.58 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 -4.24 0.50 0.00 7.72 4.77 -1.26 -4.76 117.00 119.74 2a8k n LEU 58 Ca -0.03 0.21 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 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 2a8k n GLY 59 N 1.32 -1.28 3.02 -0.72 0.00 -1.26 -4.72 105.19 101.55 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 -2.11 0.24 -0.43 1.61 1.81 -0.14 -4.95 118.95 114.98 2a8k s ARG 60 Ca 0.00 -0.05 0.08 0.00 -1.72 0.00 0.00 55.73 54.04 2a8k s ARG 60 Cb 0.00 0.10 0.28 0.00 -0.45 0.00 0.00 34.95 34.88 2a8k s ARG 60 CO 0.00 -0.04 0.79 -1.71 -0.68 0.00 0.00 175.30 173.65 2a8k n ASN 61 N 2.49 -1.19 -4.34 0.23 5.15 -1.09 -1.37 115.26 115.14 2a8k n ASN 61 Ca -0.16 -3.13 -0.23 0.00 -0.60 0.00 0.00 54.58 50.45 2a8k n ASN 61 Cb 0.58 0.65 -0.12 0.00 -0.53 0.00 0.00 39.78 40.36 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 2.81 0.58 1.20 1.01 -0.53 -4.99 116.67 115.18 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 -0.17 -0.04 0.00 1.01 0.00 0.00 42.92 43.96 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 -2.64 3.20 0.06 8.23 0.02 -1.26 -0.51 135.00 142.10 2a8k s PRO 63 Ca 0.15 1.47 0.03 0.00 0.02 0.00 0.00 61.00 62.67 2a8k s PRO 63 Cb -0.07 -2.00 -0.03 0.00 0.02 0.00 0.00 34.50 32.43 2a8k s PRO 63 CO 0.07 -0.94 -0.09 0.00 -0.33 0.00 0.00 177.00 175.70 2a8k s ALA 64 N -2.05 0.78 -0.03 -1.55 0.00 -0.61 -1.12 121.76 117.18 2a8k s ALA 64 Ca 0.69 -0.91 0.05 0.00 0.00 0.00 0.00 51.96 51.80 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 0.32 -0.01 -0.16 0.99 0.00 0.00 0.00 175.76 176.90 2a8k s THR 65 N -1.67 2.89 -0.10 0.00 2.01 -0.05 -1.06 115.64 117.66 2a8k s THR 65 Ca -0.05 -0.87 -0.09 0.00 0.31 0.00 0.00 61.69 60.99 2a8k s THR 65 Cb -0.08 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 2a8k s THR 65 CO 0.00 0.54 0.21 -0.69 -0.69 0.00 0.00 174.62 173.99 2a8k s VAL 66 N -0.76 5.38 0.04 3.82 1.01 -0.08 -1.06 120.40 128.75 2a8k s VAL 66 Ca 0.12 0.37 0.05 0.00 0.00 0.00 0.00 61.98 62.52 2a8k s VAL 66 Cb -0.11 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 2a8k s VAL 66 CO 0.01 0.59 -0.15 -0.31 0.00 0.00 0.00 175.10 175.25 2a8k s TYR 67 N -0.93 1.29 0.00 5.22 2.02 -0.23 -0.64 117.35 124.08 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 1.85 -1.79 3.61 0.71 0.00 -1.26 -1.34 105.19 106.96 2a8k n GLY 68 Ca -0.18 -2.01 -0.28 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 3.59 0.17 1.61 0.01 -0.60 -4.74 113.70 109.74 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 -0.15 -0.14 0.00 0.21 0.00 0.00 66.02 65.94 2a8k s SER 69 CO 0.00 -0.57 1.45 -2.65 0.41 0.00 0.00 173.24 171.88 2a8k n PRO 70 N -0.96 1.87 0.00 12.44 -0.02 -1.26 -0.26 135.00 146.80 2a8k n PRO 70 Ca -0.07 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2a8k n PRO 70 Cb 0.67 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 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 2.77 2.95 2.24 -1.23 0.00 -1.26 -4.83 105.19 105.83 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 1.04 -4.29 1.61 5.02 0.64 -4.15 118.16 116.03 2a8k n LYS 72 Ca 0.00 -3.45 -0.15 0.00 -2.02 0.00 0.00 58.31 52.69 2a8k n LYS 72 Cb 0.00 -1.52 -0.10 0.00 -0.02 0.00 0.00 35.03 33.39 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 1.39 0.03 2.13 -0.85 -1.13 -1.55 117.35 115.50 2a8k s TYR 73 Ca 0.38 -0.91 0.02 0.00 -0.52 0.00 0.00 57.07 56.05 2a8k s TYR 73 Cb 0.25 -0.78 -0.02 0.00 0.38 0.00 0.00 41.96 41.78 2a8k s TYR 73 CO -0.09 -0.06 -0.08 0.14 -1.52 0.00 0.00 175.55 173.94 2a8k s VAL 74 N -3.46 0.60 -0.07 -3.49 -7.23 -0.45 -1.29 120.40 105.00 2a8k s VAL 74 Ca 0.24 -0.88 0.04 0.00 -1.81 0.00 0.00 61.98 59.58 2a8k s VAL 74 Cb 0.05 -0.61 -0.01 0.00 0.56 0.00 0.00 36.38 36.37 2a8k s VAL 74 CO 0.05 -0.21 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.74 2a8k s VAL 75 N -1.02 2.47 -0.05 1.32 1.01 0.26 -1.07 120.40 123.33 2a8k s VAL 75 Ca -0.06 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.04 2a8k s VAL 75 Cb -0.08 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.36 2a8k s VAL 75 CO 0.00 0.57 -0.13 -0.69 0.00 0.00 0.00 175.10 174.85 2a8k s VAL 76 N -0.18 1.15 0.00 2.92 1.01 -0.23 -0.36 120.40 124.72 2a8k s VAL 76 Ca -0.02 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 2a8k s VAL 76 Cb -0.14 -1.02 -0.06 0.00 0.00 0.00 0.00 36.38 35.16 2a8k s VAL 76 CO 0.03 0.35 1.60 0.21 0.00 0.00 0.00 175.10 177.29 2a8k s ASN 77 N 0.30 6.69 0.41 3.32 3.84 0.21 -0.87 114.94 128.83 2a8k s ASN 77 Ca -0.07 2.30 0.11 0.00 0.21 0.00 0.00 52.86 55.40 2a8k s ASN 77 Cb -0.12 -2.55 0.87 0.00 -0.55 0.00 0.00 41.25 38.89 2a8k s ASN 77 CO 0.02 -0.87 1.96 0.44 -2.79 0.00 0.00 177.10 175.87 2a8k h ASP 78 N 8.71 0.19 0.16 -4.21 3.32 -1.46 0.34 116.42 123.48 2a8k h ASP 78 Ca -0.40 -0.03 -0.34 0.00 0.02 0.00 0.00 57.03 56.27 2a8k h ASP 78 Cb 1.19 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.69 2a8k h ASP 78 CO 0.93 0.31 -1.76 -0.09 -1.72 0.00 0.00 179.24 176.92 2a8k h ARG 79 N 0.20 0.35 0.00 3.56 2.43 -1.91 -3.40 114.38 115.60 2a8k h ARG 79 Ca 0.04 -0.59 -0.03 0.00 -0.81 0.00 0.00 59.98 58.59 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 1.28 -1.86 0.25 -1.51 0.00 0.00 179.97 178.15 2a8k n THR 80 N -3.62 0.21 -0.87 0.20 -2.24 -1.23 -4.98 114.28 101.75 2a8k n THR 80 Ca -0.26 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 2a8k n THR 80 Cb 1.04 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 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 1.28 0.78 3.72 3.38 0.00 0.11 -4.70 105.19 109.77 2a8k n GLY 81 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.13 4.46 -0.04 1.61 2.02 -1.25 -0.51 118.70 124.86 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 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 2a8k s GLU 82 CO 0.00 -0.17 1.24 0.08 0.02 0.00 0.00 175.26 176.43 2a8k s VAL 83 N 0.52 4.14 -0.13 2.63 1.01 -0.20 -0.62 120.40 127.75 2a8k s VAL 83 Ca 0.56 1.48 0.14 0.00 0.00 0.00 0.00 61.98 64.16 2a8k s VAL 83 Cb -0.31 -3.95 -0.20 0.00 0.00 0.00 0.00 36.38 31.92 2a8k s VAL 83 CO 0.33 -0.00 0.10 0.35 0.00 0.00 0.00 175.10 175.87 2a8k n THR 84 N 4.63 0.87 -3.75 3.92 -2.24 0.51 -4.74 114.28 113.48 2a8k n THR 84 Ca 0.11 -0.60 -0.13 0.00 -2.27 0.00 0.00 64.05 61.16 2a8k n THR 84 Cb 0.46 -0.48 -0.10 0.00 -2.10 0.00 0.00 70.33 68.11 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 0.54 -0.01 -0.78 -1.52 -1.21 -4.99 119.66 109.22 2a8k s GLN 85 Ca -0.07 0.16 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 33.10 2a8k s GLN 85 CO 0.63 -0.12 -0.01 0.96 -0.25 0.00 0.00 175.29 176.50 2a8k s ILE 86 N -0.56 0.14 0.76 1.08 -4.36 -1.26 -0.58 121.20 116.42 2a8k s ILE 86 Ca -0.07 -0.03 -0.12 0.00 -0.26 0.00 0.00 60.65 60.17 2a8k s ILE 86 Cb -0.04 -0.15 0.05 0.00 1.25 0.00 0.00 42.46 43.57 2a8k s ILE 86 CO 0.02 0.06 1.11 -0.94 0.24 0.00 0.00 174.94 175.44 2a8k s SER 87 N 0.19 4.92 -0.65 4.36 1.04 -0.41 -4.99 113.70 118.15 2a8k s SER 87 Ca -0.02 1.12 -0.19 0.00 0.48 0.00 0.00 55.95 57.35 2a8k s SER 87 Cb -0.04 -1.84 0.12 0.00 0.10 0.00 0.00 66.02 64.36 2a8k s SER 87 CO -0.01 -1.68 0.77 -0.62 0.98 0.00 0.00 173.24 172.68 2a8k s ASP 88 N -4.24 6.28 0.14 7.02 -1.08 -1.26 -4.83 116.67 118.70 2a8k s ASP 88 Ca 0.60 -1.60 0.19 0.00 -0.52 0.00 0.00 52.55 51.22 2a8k s ASP 88 Cb -0.12 -2.31 0.81 0.00 -1.46 0.00 0.00 42.92 39.84 2a8k s ASP 88 CO 0.52 -1.07 1.59 0.29 0.52 0.00 0.00 175.17 177.02 2a8k n LYS 89 N 6.19 0.11 -0.15 4.34 5.02 0.14 -2.01 118.16 131.80 2a8k n LYS 89 Ca -0.04 0.35 0.10 0.00 -2.02 0.00 0.00 58.31 56.70 2a8k n LYS 89 Cb 0.44 -1.71 0.28 0.00 -0.02 0.00 0.00 35.03 34.02 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 -1.91 0.40 -3.96 -0.18 -2.24 -1.23 -4.62 114.28 100.55 2a8k n THR 90 Ca 0.03 -0.52 -0.31 0.00 -2.27 0.00 0.00 64.05 60.98 2a8k n THR 90 Cb 0.20 0.48 -0.15 0.00 -2.10 0.00 0.00 70.33 68.75 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 -1.36 4.55 0.63 3.42 -1.08 -0.85 -4.98 116.67 117.00 2a8k s ASP 91 Ca 0.33 -1.96 0.34 0.00 -0.52 0.00 0.00 52.55 50.74 2a8k s ASP 91 Cb 0.18 -1.43 1.90 0.00 -1.46 0.00 0.00 42.92 42.10 2a8k s ASP 91 CO 0.25 -0.37 2.16 1.55 0.52 0.00 0.00 175.17 179.28 2a8k h PRO 92 N 7.74 0.00 -0.64 4.34 0.13 -1.82 -1.24 132.00 140.51 2a8k h PRO 92 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 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 -1.26 2.60 3.61 1.56 0.00 -1.26 -4.99 105.19 105.44 2a8k n GLY 93 Ca -0.01 -0.78 -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 0.76 1.56 -3.24 1.61 -0.00 -0.47 -4.92 117.44 112.75 2a8k n TRP 94 Ca 0.24 0.60 -0.43 0.00 -0.00 0.00 0.00 57.50 57.91 2a8k n TRP 94 Cb 0.94 -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 -0.10 5.00 0.56 5.87 1.01 -1.26 -4.82 120.40 126.65 2a8k s VAL 95 Ca 0.72 -0.12 -0.21 0.00 0.00 0.00 0.00 61.98 62.38 2a8k s VAL 95 Cb -0.80 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 31.46 2a8k s VAL 95 CO 0.51 -0.45 1.31 -1.81 0.00 0.00 0.00 175.10 174.66 2a8k s ASP 96 N 1.87 5.24 -0.23 3.32 1.01 -1.26 -4.88 116.67 121.74 2a8k s ASP 96 Ca 0.16 2.65 -0.28 0.00 0.71 0.00 0.00 52.55 55.79 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 -1.58 1.96 -0.62 0.21 0.00 0.00 175.17 175.30 2a8k s ASP 97 N -1.15 5.84 0.41 0.27 -1.08 -1.26 -4.82 116.67 114.88 2a8k s ASP 97 Ca 0.73 1.72 0.28 0.00 -0.52 0.00 0.00 52.55 54.76 2a8k s ASP 97 Cb -0.37 -2.52 1.47 0.00 -1.46 0.00 0.00 42.92 40.03 2a8k s ASP 97 CO 0.43 -1.68 1.85 0.77 0.52 0.00 0.00 175.17 177.05 2a8k h SER 98 N 13.24 0.00 1.26 -0.34 4.64 -2.05 -2.13 113.55 128.17 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 -0.06 0.54 -0.87 0.00 0.00 176.83 177.43 2a8k n ARG 99 N -2.48 0.18 -1.94 4.77 1.74 -1.26 -4.86 116.66 112.81 2a8k n ARG 99 Ca -0.01 0.13 -0.41 0.00 -0.77 0.00 0.00 57.85 56.79 2a8k n ARG 99 Cb 0.07 -1.70 -0.02 0.00 -1.02 0.00 0.00 32.46 29.79 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 0.00 174.94 174.96 2a8k s GLN 101 N -0.44 2.99 0.36 2.79 -0.21 -0.37 -4.96 119.66 119.82 2a8k s GLN 101 Ca 0.60 -1.55 -0.21 0.00 0.02 0.00 0.00 55.36 54.22 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 0.87 -1.58 -2.12 0.00 0.00 175.29 171.70 2a8k s TRP 102 N 1.64 3.45 0.00 0.91 0.52 -1.26 -0.66 118.94 123.53 2a8k s TRP 102 Ca 0.04 1.53 0.00 0.00 0.02 0.00 0.00 56.10 57.69 2a8k s TRP 102 Cb -0.28 -2.77 0.00 0.00 -1.15 0.00 0.00 33.47 29.28 2a8k s TRP 102 CO 0.05 0.06 0.00 0.41 0.02 0.00 0.00 176.95 177.49 2a8k n GLY 103 N -0.15 0.35 3.78 0.98 0.00 0.28 -4.76 105.19 105.67 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 7.21 0.00 1.61 0.01 -1.26 -4.67 114.94 113.84 2a8k s ASN 104 Ca 0.00 1.43 0.25 0.00 -0.71 0.00 0.00 52.86 53.84 2a8k s ASN 104 Cb 0.00 -2.43 1.51 0.00 0.41 0.00 0.00 41.25 40.74 2a8k s ASN 104 CO 0.00 0.21 1.87 0.29 -1.51 0.00 0.00 177.10 177.95