#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l8y n LYS 2 N 0.00 -3.38 0.03 1.61 0.00 -1.26 -5.06 118.16 110.09 1l8y n LYS 2 Ca 0.00 2.68 0.00 0.00 0.00 0.00 0.00 58.31 60.99 1l8y n LYS 2 Cb 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 35.03 31.52 1l8y n LYS 2 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1l8y n LEU 3 N -3.08 -0.49 0.07 3.14 4.77 -1.26 -5.01 117.00 115.14 1l8y n LEU 3 Ca -0.03 0.43 -0.04 0.00 -0.03 0.00 0.00 56.01 56.34 1l8y n LEU 3 Cb 0.50 0.79 -0.02 0.00 -2.33 0.00 0.00 43.42 42.36 1l8y n LEU 3 CO 0.01 0.02 0.16 1.55 -1.33 0.00 0.00 177.39 177.80 1l8y h PRO 4 N 0.00 -0.22 0.00 3.23 0.13 -1.95 -3.48 132.00 129.71 1l8y h PRO 4 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1l8y h PRO 4 Cb 0.00 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.18 1l8y h PRO 4 CO 0.00 -0.15 0.00 -1.91 -0.23 0.00 0.00 178.00 175.71 1l8y n GLU 5 N -3.67 0.00 -0.09 0.86 2.13 0.14 -4.92 120.64 115.09 1l8y n GLU 5 Ca -0.03 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.64 1l8y n GLU 5 Cb 0.09 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.75 1l8y n GLU 5 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1l8y n SER 6 N 0.35 1.72 -4.11 4.31 2.88 -1.26 -5.02 113.62 112.49 1l8y n SER 6 Ca 0.00 0.29 -0.30 0.00 -1.33 0.00 0.00 58.87 57.53 1l8y n SER 6 Cb 0.00 -0.68 0.17 0.00 -0.75 0.00 0.00 64.21 62.95 1l8y n SER 6 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1l8y n PRO 7 N -4.18 -1.77 -2.21 -1.46 -0.02 -1.26 -4.98 135.00 119.11 1l8y n PRO 7 Ca -0.27 -0.51 -0.03 0.00 -2.02 0.00 0.00 63.50 60.67 1l8y n PRO 7 Cb 0.61 -1.63 0.06 0.00 -0.02 0.00 0.00 33.50 32.53 1l8y n PRO 7 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1l8y n LYS 8 N -1.90 1.00 0.00 -0.52 4.76 -1.03 -4.96 118.16 115.50 1l8y n LYS 8 Ca 0.02 -1.48 0.00 0.00 -2.87 0.00 0.00 58.31 53.98 1l8y n LYS 8 Cb 0.58 0.18 0.00 0.00 -1.84 0.00 0.00 35.03 33.95 1l8y n LYS 8 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1l8y n ARG 9 N -0.94 0.00 0.00 1.97 5.12 1.55 -3.60 116.66 120.75 1l8y n ARG 9 Ca -0.16 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 1l8y n ARG 9 Cb 0.84 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.14 1l8y n ARG 9 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1l8y n ALA 10 N 5.59 0.00 0.23 7.54 0.00 -0.21 -2.67 120.51 130.98 1l8y n ALA 10 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 1l8y n ALA 10 Cb 0.00 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.17 1l8y n ALA 10 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1l8y h GLU 11 N 0.00 0.00 0.00 0.00 5.08 -1.67 -2.43 114.58 115.57 1l8y h GLU 11 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1l8y h GLU 11 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1l8y h GLU 11 CO 0.00 0.00 -0.06 1.49 -1.00 0.00 0.00 179.01 179.44 1l8y h GLU 12 N 0.00 0.00 -0.23 2.33 4.57 -0.77 -2.50 114.58 117.97 1l8y h GLU 12 Ca 0.09 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.33 1l8y h GLU 12 Cb 0.99 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.51 1l8y h GLU 12 CO -0.00 0.00 -0.23 0.97 -1.18 0.00 0.00 179.01 178.57 1l8y h ILE 13 N -0.68 0.42 0.13 2.32 6.09 -0.60 -2.58 117.51 122.61 1l8y h ILE 13 Ca 0.00 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.48 1l8y h ILE 13 Cb 0.06 0.42 0.00 0.00 0.47 0.00 0.00 36.82 37.77 1l8y h ILE 13 CO 0.00 0.00 -0.06 -0.25 -3.07 0.00 0.00 178.15 174.77 1l8y h TRP 14 N -0.24 -0.16 -0.01 2.19 7.01 -1.64 -2.29 115.95 120.82 1l8y h TRP 14 Ca 0.13 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.13 1l8y h TRP 14 Cb 0.44 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.55 1l8y h TRP 14 CO -0.38 0.31 -0.07 0.37 -2.79 0.00 0.00 178.44 175.89 1l8y h GLN 15 N -0.78 -0.07 -1.08 2.65 4.15 -1.44 0.57 115.11 119.11 1l8y h GLN 15 Ca -0.02 0.01 0.31 0.00 0.77 0.00 0.00 58.65 59.72 1l8y h GLN 15 Cb 0.55 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.21 1l8y h GLN 15 CO 0.03 -0.05 0.77 1.96 -1.93 0.00 0.00 178.83 179.61 1l8y h GLN 16 N -0.08 0.03 -0.23 1.69 1.08 -1.62 1.43 115.11 117.42 1l8y h GLN 16 Ca 0.00 -0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.08 1l8y h GLN 16 Cb 0.09 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1l8y h GLN 16 CO -0.05 0.02 -0.31 0.77 -0.95 0.00 0.00 178.83 178.30 1l8y h SER 17 N 0.03 0.67 0.00 1.46 0.02 -0.18 -3.36 113.55 112.19 1l8y h SER 17 Ca 0.52 -0.51 -0.38 0.00 -0.84 0.00 0.00 61.79 60.59 1l8y h SER 17 Cb 2.03 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 64.33 1l8y h SER 17 CO -0.02 1.05 -2.24 1.33 -1.14 0.00 0.00 176.83 175.81 1l8y n VAL 18 N -4.30 1.40 -0.21 2.27 0.24 0.17 -4.57 118.33 113.34 1l8y n VAL 18 Ca -0.05 -0.29 0.21 0.00 -2.04 0.00 0.00 64.34 62.17 1l8y n VAL 18 Cb 0.48 -1.90 0.38 0.00 -1.47 0.00 0.00 33.84 31.34 1l8y n VAL 18 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1l8y n ILE 19 N -4.17 -0.27 -0.08 1.34 3.06 0.46 0.17 119.36 119.88 1l8y n ILE 19 Ca -0.46 1.31 -0.10 0.00 -2.50 0.00 0.00 62.75 61.01 1l8y n ILE 19 Cb 0.81 -2.14 -0.03 0.00 0.54 0.00 0.00 39.64 38.82 1l8y n ILE 19 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 1l8y h GLY 20 N 0.00 0.39 2.00 4.50 0.00 -1.71 1.26 103.07 109.51 1l8y h GLY 20 Ca 0.55 -0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.60 1l8y h GLY 20 CO -0.49 0.17 -0.50 -1.80 0.00 0.00 0.00 176.54 173.92 1l8y h ASP 21 N 0.31 0.00 0.03 0.19 3.58 0.15 -1.34 116.42 119.33 1l8y h ASP 21 Ca 0.09 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.28 1l8y h ASP 21 Cb 0.06 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.13 1l8y h ASP 21 CO -0.01 0.50 -1.03 1.88 -2.88 0.00 0.00 179.24 177.69 1l8y h TYR 22 N 0.00 1.02 0.00 0.28 -1.99 0.53 -2.78 116.97 114.02 1l8y h TYR 22 Ca -0.00 -0.55 -0.08 0.00 2.00 0.00 0.00 58.73 60.10 1l8y h TYR 22 Cb 1.38 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 39.98 1l8y h TYR 22 CO 0.00 1.39 -0.37 -0.07 -0.00 0.00 0.00 178.16 179.11 1l8y h LEU 23 N 0.39 0.00 -0.28 3.88 3.38 0.15 -3.20 115.31 119.64 1l8y h LEU 23 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1l8y h LEU 23 Cb 1.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.43 1l8y h LEU 23 CO 0.20 0.37 0.00 0.00 0.09 0.00 0.00 178.44 179.10 1l8y h ALA 24 N 1.63 1.00 0.09 1.53 0.00 -1.21 -1.31 119.26 121.01 1l8y h ALA 24 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1l8y h ALA 24 Cb 1.24 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.05 1l8y h ALA 24 CO 0.05 0.00 -0.80 0.07 0.00 0.00 0.00 179.25 178.57 1l8y h ARG 25 N 0.00 0.38 -0.13 0.00 0.11 -1.48 -3.36 114.38 109.90 1l8y h ARG 25 Ca 0.00 -0.53 0.00 0.00 0.10 0.00 0.00 59.98 59.55 1l8y h ARG 25 Cb 0.71 0.18 0.00 0.00 1.11 0.00 0.00 29.97 31.97 1l8y h ARG 25 CO 0.00 1.21 0.00 0.34 0.10 0.00 0.00 179.97 181.62 1l8y n PHE 26 N -4.12 0.43 -3.67 4.08 7.35 -1.25 -5.00 117.46 115.29 1l8y n PHE 26 Ca -0.13 -0.90 -0.28 0.00 -0.76 0.00 0.00 57.45 55.38 1l8y n PHE 26 Cb 0.79 -0.21 0.03 0.00 0.35 0.00 0.00 39.48 40.44 1l8y n PHE 26 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1l8y n LYS 27 N -0.91 -1.17 0.00 -4.13 4.76 -0.91 -4.11 118.16 111.69 1l8y n LYS 27 Ca 0.17 0.61 0.00 0.00 -2.87 0.00 0.00 58.31 56.22 1l8y n LYS 27 Cb 0.73 -3.78 0.00 0.00 -1.84 0.00 0.00 35.03 30.14 1l8y n LYS 27 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1l8y n ASN 28 N -2.48 0.00 0.00 4.39 2.85 -0.54 -5.00 115.26 114.48 1l8y n ASN 28 Ca -0.13 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.42 1l8y n ASN 28 Cb 0.60 0.00 0.44 0.00 1.24 0.00 0.00 39.78 42.06 1l8y n ASN 28 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1l8y n ASP 29 N 0.00 0.00 0.00 1.20 2.03 -1.24 -4.39 116.55 114.15 1l8y n ASP 29 Ca 0.00 -0.65 0.00 0.00 0.52 0.00 0.00 54.79 54.66 1l8y n ASP 29 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1l8y n ASP 29 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1l8y n ARG 30 N -0.92 0.00 0.10 -0.67 0.00 -1.26 0.17 116.66 114.08 1l8y n ARG 30 Ca 0.11 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.82 1l8y n ARG 30 Cb 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.43 1l8y n ARG 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1l8y h VAL 31 N 0.00 0.00 0.00 5.15 2.07 -1.98 1.14 116.25 122.63 1l8y h VAL 31 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1l8y h VAL 31 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1l8y h VAL 31 CO 0.00 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.70 1l8y h LYS 32 N -0.64 0.00 0.00 1.57 1.79 0.13 -1.80 116.57 117.62 1l8y h LYS 32 Ca -0.01 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1l8y h LYS 32 Cb 0.64 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1l8y h LYS 32 CO -0.23 0.00 -0.00 0.00 -1.08 0.00 0.00 179.45 178.13 1l8y h ALA 33 N 2.02 -0.18 -0.37 3.86 0.00 0.16 -1.97 119.26 122.77 1l8y h ALA 33 Ca 0.00 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1l8y h ALA 33 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1l8y h ALA 33 CO 0.00 -0.18 0.26 1.25 0.00 0.00 0.00 179.25 180.58 1l8y h LEU 34 N -0.02 0.14 0.28 0.00 6.46 0.12 -1.56 115.31 120.72 1l8y h LEU 34 Ca -0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1l8y h LEU 34 Cb 0.00 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 39.91 1l8y h LEU 34 CO 0.00 0.09 -0.13 0.50 -0.62 0.00 0.00 178.44 178.27 1l8y h LYS 35 N 0.15 -0.36 -0.91 1.25 1.63 -1.43 -2.28 116.57 114.62 1l8y h LYS 35 Ca 0.17 0.02 0.25 0.00 -0.85 0.00 0.00 60.65 60.25 1l8y h LYS 35 Cb 0.48 0.08 -0.14 0.00 -0.60 0.00 0.00 32.23 32.05 1l8y h LYS 35 CO -0.02 -0.24 0.34 0.00 -3.45 0.00 0.00 179.45 176.08 1l8y h ALA 36 N -1.42 1.47 -0.13 5.00 0.00 -1.21 0.40 119.26 123.37 1l8y h ALA 36 Ca -0.04 0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1l8y h ALA 36 Cb 0.29 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1l8y h ALA 36 CO 0.06 -0.47 -0.01 1.98 0.00 0.00 0.00 179.25 180.81 1l8y h MET 37 N 0.27 0.03 -0.11 0.00 1.85 -1.35 0.92 114.93 116.54 1l8y h MET 37 Ca 0.60 -0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.68 1l8y h MET 37 Cb 1.24 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 33.26 1l8y h MET 37 CO -0.63 0.02 0.05 1.49 -0.40 0.00 0.00 176.91 177.45 1l8y h GLU 38 N 0.03 0.17 0.24 0.39 4.81 0.24 -2.30 114.58 118.16 1l8y h GLU 38 Ca 0.06 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1l8y h GLU 38 Cb 0.07 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1l8y h GLU 38 CO -0.11 0.25 -0.12 0.52 -0.73 0.00 0.00 179.01 178.82 1l8y h MET 39 N 0.05 -0.31 -0.36 1.92 2.86 -0.41 -0.25 114.93 118.42 1l8y h MET 39 Ca 0.04 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.80 1l8y h MET 39 Cb 0.14 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1l8y h MET 39 CO -0.00 -0.10 0.44 1.15 1.06 0.00 0.00 176.91 179.46 1l8y h THR 40 N -0.47 0.31 0.08 2.22 2.02 0.90 1.36 112.91 119.34 1l8y h THR 40 Ca -0.03 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 66.83 1l8y h THR 40 Cb 0.35 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1l8y h THR 40 CO 0.05 0.00 -1.73 1.87 0.37 0.00 0.00 175.52 176.08 1l8y n TRP 41 N -3.59 1.19 0.08 3.16 -0.00 -0.87 -4.18 117.44 113.24 1l8y n TRP 41 Ca 0.06 0.33 -0.10 0.00 -0.00 0.00 0.00 57.50 57.80 1l8y n TRP 41 Cb 0.60 -1.14 -0.06 0.00 -0.00 0.00 0.00 31.31 30.71 1l8y n TRP 41 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1l8y h ASN 42 N -0.31 0.23 0.00 5.87 2.35 -0.03 -3.08 115.58 120.60 1l8y h ASN 42 Ca -0.40 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.14 1l8y h ASN 42 Cb 1.78 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 40.07 1l8y h ASN 42 CO -0.02 1.08 0.00 0.78 -1.65 0.00 0.00 177.43 177.62 1l8y h ASN 43 N 0.07 0.00 0.00 5.81 -0.26 0.16 -3.35 115.58 118.02 1l8y h ASN 43 Ca -0.06 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.68 1l8y h ASN 43 Cb 1.66 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.92 1l8y h ASN 43 CO 0.15 0.00 0.00 0.80 -1.06 0.00 0.00 177.43 177.32 1l8y n MET 44 N -2.65 0.00 -3.55 0.81 1.56 -1.16 -5.06 117.12 107.06 1l8y n MET 44 Ca -0.02 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.41 1l8y n MET 44 Cb 0.06 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.43 1l8y n MET 44 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 1l8y n GLU 45 N 0.00 -0.58 -0.26 2.12 0.28 -1.24 -4.92 120.64 116.04 1l8y n GLU 45 Ca 0.00 0.00 0.32 0.00 -0.16 0.00 0.00 57.16 57.32 1l8y n GLU 45 Cb 0.00 0.00 0.61 0.00 1.43 0.00 0.00 31.44 33.48 1l8y n GLU 45 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1l8y h LYS 46 N 0.29 0.00 0.14 3.44 3.11 -1.96 -1.14 116.57 120.45 1l8y h LYS 46 Ca 0.00 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.83 1l8y h LYS 46 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1l8y h LYS 46 CO 0.00 0.00 -0.09 -0.22 -2.81 0.00 0.00 179.45 176.33 1l8y h LYS 47 N 0.00 -0.21 0.28 1.90 1.63 -1.95 -2.96 116.57 115.25 1l8y h LYS 47 Ca 0.53 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.33 1l8y h LYS 47 Cb 2.68 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 34.36 1l8y h LYS 47 CO -0.01 -0.14 -0.13 0.93 -3.45 0.00 0.00 179.45 176.65 1l8y h GLU 48 N -0.22 -0.36 0.00 1.90 5.08 -1.54 -3.09 114.58 116.35 1l8y h GLU 48 Ca -0.02 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1l8y h GLU 48 Cb 0.18 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1l8y h GLU 48 CO 0.02 -0.24 0.00 1.63 -1.00 0.00 0.00 179.01 179.41 1l8y n LYS 49 N -3.74 0.00 -0.30 2.33 5.02 -0.66 -0.36 118.16 120.44 1l8y n LYS 49 Ca -0.05 0.44 0.11 0.00 -2.02 0.00 0.00 58.31 56.80 1l8y n LYS 49 Cb 0.15 -0.81 0.28 0.00 -0.02 0.00 0.00 35.03 34.63 1l8y n LYS 49 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1l8y h LEU 50 N 0.00 0.40 -1.32 -0.35 -0.00 -1.72 -0.91 115.31 111.42 1l8y h LEU 50 Ca 0.00 0.13 -0.07 0.00 -0.00 0.00 0.00 57.88 57.94 1l8y h LEU 50 Cb 0.00 0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 40.74 1l8y h LEU 50 CO 0.00 0.07 -0.32 0.24 -0.00 0.00 0.00 178.44 178.43 1l8y h MET 51 N 0.48 0.03 -0.49 1.13 2.86 -1.11 -2.27 114.93 115.56 1l8y h MET 51 Ca 0.53 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 58.08 1l8y h MET 51 Cb 0.93 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.57 1l8y h MET 51 CO -0.47 0.35 -0.03 -1.49 1.06 0.00 0.00 176.91 176.33 1l8y h TRP 52 N 0.03 0.90 0.41 -0.22 4.06 0.74 -2.58 115.95 119.29 1l8y h TRP 52 Ca 0.00 -0.14 -0.02 0.00 2.06 0.00 0.00 58.89 60.80 1l8y h TRP 52 Cb 0.58 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 28.50 1l8y h TRP 52 CO 0.00 0.84 -0.31 0.82 -3.56 0.00 0.00 178.44 176.24 1l8y h ILE 53 N 0.77 0.00 -1.08 1.49 2.04 -1.19 -2.66 117.51 116.89 1l8y h ILE 53 Ca 0.14 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.31 1l8y h ILE 53 Cb 0.51 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.54 1l8y h ILE 53 CO 0.03 0.00 0.77 0.50 0.00 0.00 0.00 178.15 179.45 1l8y h LYS 54 N -0.68 0.02 0.64 2.37 1.63 -1.40 2.08 116.57 121.24 1l8y h LYS 54 Ca -0.05 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.71 1l8y h LYS 54 Cb 0.57 -0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.20 1l8y h LYS 54 CO 0.02 0.02 -0.31 -0.22 -3.45 0.00 0.00 179.45 175.51 1l8y h LYS 55 N 0.03 -0.83 0.00 1.90 3.64 -1.10 1.82 116.57 122.03 1l8y h LYS 55 Ca 0.52 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.95 1l8y h LYS 55 Cb 2.03 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 34.04 1l8y h LYS 55 CO -0.02 -0.54 -0.17 0.00 -2.27 0.00 0.00 179.45 176.45 1l8y n ALA 56 N -2.48 2.47 0.07 5.00 0.00 -0.34 -1.68 120.51 123.56 1l8y n ALA 56 Ca -0.13 -0.09 -0.08 0.00 0.00 0.00 0.00 53.44 53.14 1l8y n ALA 56 Cb 0.36 -1.39 -0.09 0.00 0.00 0.00 0.00 19.45 18.33 1l8y n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l8y h ALA 57 N 2.57 0.39 0.00 0.00 0.00 0.37 1.60 119.26 124.18 1l8y h ALA 57 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1l8y h ALA 57 Cb 0.72 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1l8y h ALA 57 CO 0.00 1.15 -0.31 1.49 0.00 0.00 0.00 179.25 181.58 1l8y h GLU 58 N 0.02 0.00 0.05 0.00 4.81 0.29 -3.31 114.58 116.43 1l8y h GLU 58 Ca -0.03 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.84 1l8y h GLU 58 Cb 1.71 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 31.04 1l8y h GLU 58 CO 0.13 0.00 -2.19 -0.25 -0.73 0.00 0.00 179.01 175.98 1l8y n ASP 59 N -2.39 1.62 -0.23 1.04 8.00 -0.67 -4.35 116.55 119.57 1l8y n ASP 59 Ca 0.04 0.08 0.23 0.00 0.71 0.00 0.00 54.79 55.85 1l8y n ASP 59 Cb 0.46 -0.34 0.59 0.00 -0.02 0.00 0.00 41.12 41.81 1l8y n ASP 59 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 1l8y h GLN 60 N 0.03 0.25 -1.26 -1.24 -0.00 0.22 -1.55 115.11 111.56 1l8y h GLN 60 Ca -0.48 -0.01 0.40 0.00 -0.00 0.00 0.00 58.65 58.55 1l8y h GLN 60 Cb 2.01 -0.06 -0.12 0.00 -0.00 0.00 0.00 27.48 29.32 1l8y h GLN 60 CO 0.02 0.16 0.81 1.57 -0.00 0.00 0.00 178.83 181.39 1l8y h LYS 61 N 0.25 0.15 0.00 0.06 2.10 -1.76 1.28 116.57 118.65 1l8y h LYS 61 Ca 0.47 -0.01 -0.12 0.00 -2.00 0.00 0.00 60.65 58.99 1l8y h LYS 61 Cb 1.41 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 32.69 1l8y h LYS 61 CO -0.13 0.10 -0.58 -0.09 -2.00 0.00 0.00 179.45 176.75 1l8y h ARG 62 N 0.15 0.00 -0.01 0.07 2.43 -1.58 -2.34 114.38 113.10 1l8y h ARG 62 Ca 0.77 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.94 1l8y h ARG 62 Cb 2.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.89 1l8y h ARG 62 CO -0.38 0.58 -0.78 0.66 -1.51 0.00 0.00 179.97 178.53 1l8y n TYR 63 N -3.63 0.00 1.00 2.20 4.01 0.36 -4.14 117.16 116.97 1l8y n TYR 63 Ca -0.01 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.84 1l8y n TYR 63 Cb 0.63 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.59 1l8y n TYR 63 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 1l8y n GLU 64 N -0.93 0.57 0.04 -0.72 0.28 0.30 0.24 120.64 120.42 1l8y n GLU 64 Ca 0.06 -0.47 -0.09 0.00 -0.16 0.00 0.00 57.16 56.50 1l8y n GLU 64 Cb 0.38 -1.49 -0.13 0.00 1.43 0.00 0.00 31.44 31.63 1l8y n GLU 64 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 177.13 177.04 1l8y h ARG 65 N 1.15 0.04 -0.12 3.44 0.11 -1.58 -3.21 114.38 114.21 1l8y h ARG 65 Ca 0.00 -0.07 0.03 0.00 0.10 0.00 0.00 59.98 60.04 1l8y h ARG 65 Cb 0.62 0.03 -0.06 0.00 1.11 0.00 0.00 29.97 31.67 1l8y h ARG 65 CO 0.00 0.87 -0.53 0.93 0.10 0.00 0.00 179.97 181.34 1l8y h GLU 66 N 0.01 -0.56 0.12 0.08 3.07 -1.76 0.30 114.58 115.85 1l8y h GLU 66 Ca -0.13 0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.77 1l8y h GLU 66 Cb 1.88 0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.92 1l8y h GLU 66 CO 0.12 -0.37 -0.06 1.37 -1.40 0.00 0.00 179.01 178.67 1l8y h LEU 67 N -0.58 -0.14 -1.72 1.33 -0.00 -1.81 -3.25 115.31 109.15 1l8y h LEU 67 Ca 0.03 0.00 0.35 0.00 -0.00 0.00 0.00 57.88 58.27 1l8y h LEU 67 Cb 0.67 0.04 -0.05 0.00 -0.00 0.00 0.00 40.66 41.31 1l8y h LEU 67 CO -0.42 -0.05 1.04 -1.28 -0.00 0.00 0.00 178.44 177.73 1l8y h SER 68 N -0.26 0.00 -0.57 0.17 0.87 -1.61 0.35 113.55 112.49 1l8y h SER 68 Ca -0.02 0.00 0.17 0.00 -1.23 0.00 0.00 61.79 60.71 1l8y h SER 68 Cb 0.12 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1l8y h SER 68 CO 0.03 0.00 0.55 -0.33 -0.53 0.00 0.00 176.83 176.54 1l8y h GLU 69 N 0.00 0.00 0.00 2.24 4.39 -0.43 0.75 114.58 121.53 1l8y h GLU 69 Ca 0.58 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.28 1l8y h GLU 69 Cb 2.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.30 1l8y h GLU 69 CO -0.01 0.00 -0.72 0.52 -1.16 0.00 0.00 179.01 177.64 1l8y h MET 70 N 0.00 0.00 -0.91 2.33 2.86 -0.48 -3.32 114.93 115.41 1l8y h MET 70 Ca 0.27 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.74 1l8y h MET 70 Cb 1.36 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.92 1l8y h MET 70 CO -0.00 0.00 0.21 0.54 1.06 0.00 0.00 176.91 178.72 1l8y n ARG 71 N -2.78 2.23 -2.69 1.72 5.12 0.26 -4.15 116.66 116.37 1l8y n ARG 71 Ca 0.01 -1.64 -0.07 0.00 -1.93 0.00 0.00 57.85 54.22 1l8y n ARG 71 Cb 0.54 -1.74 0.09 0.00 -1.16 0.00 0.00 32.46 30.19 1l8y n ARG 71 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1l8y n ALA 72 N -0.10 1.97 -0.16 7.54 0.00 -1.20 -4.98 120.51 123.58 1l8y n ALA 72 Ca 0.25 -1.85 -0.04 0.00 0.00 0.00 0.00 53.44 51.81 1l8y n ALA 72 Cb 0.99 -0.97 0.06 0.00 0.00 0.00 0.00 19.45 19.52 1l8y n ALA 72 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1l8y h PRO 73 N 2.27 0.40 -1.01 0.00 0.11 -1.79 -1.70 132.00 130.27 1l8y h PRO 73 Ca -0.23 -0.02 -0.31 0.00 0.11 0.00 0.00 66.00 65.54 1l8y h PRO 73 Cb 1.26 -0.09 -0.18 0.00 0.11 0.00 0.00 31.00 32.10 1l8y h PRO 73 CO 0.10 0.27 0.39 -0.35 -0.21 0.00 0.00 178.00 178.20 1l8y n PRO 74 N -4.95 1.75 -1.31 1.05 -0.04 -1.26 -4.45 135.00 125.78 1l8y n PRO 74 Ca 0.05 -1.79 -0.34 0.00 -0.04 0.00 0.00 63.50 61.38 1l8y n PRO 74 Cb 0.17 -1.70 0.09 0.00 -0.04 0.00 0.00 33.50 32.02 1l8y n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1l8y n ALA 75 N -0.46 6.28 -2.95 0.55 0.00 -0.64 -2.73 120.51 120.56 1l8y n ALA 75 Ca 0.36 -3.40 -0.38 0.00 0.00 0.00 0.00 53.44 50.01 1l8y n ALA 75 Cb 1.18 -1.75 -0.01 0.00 0.00 0.00 0.00 19.45 18.87 1l8y n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l8y n ALA 76 N -0.91 5.22 -2.22 0.00 0.00 -1.26 -4.65 120.51 116.69 1l8y n ALA 76 Ca 0.62 -4.73 0.00 0.00 0.00 0.00 0.00 53.44 49.33 1l8y n ALA 76 Cb 0.72 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1l8y n ALA 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1l8y n THR 77 N 0.62 0.00 0.01 0.00 -1.04 -1.26 -4.91 114.28 107.71 1l8y n THR 77 Ca 0.34 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.35 1l8y n THR 77 Cb 0.33 -0.94 0.00 0.00 -1.82 0.00 0.00 70.33 67.90 1l8y n THR 77 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1l8y n ASN 78 N 1.78 -0.07 0.23 8.00 4.13 -1.26 -4.72 115.26 123.35 1l8y n ASN 78 Ca 0.00 0.04 -0.14 0.00 1.68 0.00 0.00 54.58 56.15 1l8y n ASN 78 Cb 0.50 0.18 -0.08 0.00 -1.54 0.00 0.00 39.78 38.84 1l8y n ASN 78 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 1l8y h SER 79 N 0.00 -0.51 0.00 6.41 0.87 -1.80 -3.41 113.55 115.12 1l8y h SER 79 Ca 0.00 -0.09 -0.12 0.00 -1.23 0.00 0.00 61.79 60.35 1l8y h SER 79 Cb 0.00 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 1l8y h SER 79 CO 0.00 -0.19 -1.45 -0.24 -0.53 0.00 0.00 176.83 174.42 1l8y n SER 80 N -5.25 3.01 0.00 6.23 2.88 -1.26 -5.01 113.62 114.21 1l8y n SER 80 Ca -0.11 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 1l8y n SER 80 Cb 0.29 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 1l8y n SER 80 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1l8y n LYS 81 N -2.82 0.00 -2.04 -1.46 4.81 -1.26 -2.19 118.16 113.20 1l8y n LYS 81 Ca -0.14 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.26 1l8y n LYS 81 Cb 0.64 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.75 1l8y n LYS 81 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1l8y n LYS 82 N 0.00 0.85 -4.10 1.64 0.00 -1.26 -4.82 118.16 110.46 1l8y n LYS 82 Ca 0.00 -1.08 -0.33 0.00 0.00 0.00 0.00 58.31 56.90 1l8y n LYS 82 Cb 0.00 0.44 -0.16 0.00 0.00 0.00 0.00 35.03 35.31 1l8y n LYS 82 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1l8y s LEU 83 N -2.55 2.20 0.00 3.14 1.98 -0.93 -5.28 118.68 117.24 1l8y s LEU 83 Ca 0.06 -0.63 0.00 0.00 -2.89 0.00 0.00 54.13 50.66 1l8y s LEU 83 Cb 0.28 -1.50 0.00 0.00 0.66 0.00 0.00 46.19 45.63 1l8y s LEU 83 CO -0.08 -0.00 0.36 -0.62 -1.89 0.00 0.00 176.35 174.12