#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 0.00 -2.90 1.61 2.85 -1.26 -4.96 118.16 113.50 1l8y n LYS 2 Ca 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 1l8y n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1l8y n LYS 2 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 1l8y n LEU 3 N 0.00 -2.12 -0.09 -5.58 -0.00 -1.26 -4.86 117.00 103.09 1l8y n LEU 3 Ca 0.00 -3.64 -0.10 0.00 -0.00 0.00 0.00 56.01 52.27 1l8y n LEU 3 Cb 0.00 0.76 -0.03 0.00 -0.00 0.00 0.00 43.42 44.14 1l8y n LEU 3 CO 0.00 2.00 0.84 -0.65 -0.00 0.00 0.00 177.39 179.58 1l8y h PRO 4 N 4.30 0.42 0.00 1.47 0.11 -1.93 -3.47 132.00 132.90 1l8y h PRO 4 Ca -0.03 -0.10 -0.02 0.00 0.11 0.00 0.00 66.00 65.97 1l8y h PRO 4 Cb 1.00 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 1l8y h PRO 4 CO 0.31 0.50 -0.01 0.39 -0.21 0.00 0.00 178.00 178.97 1l8y n GLU 5 N -4.72 0.02 0.00 1.05 1.02 -1.26 -5.10 120.64 111.65 1l8y n GLU 5 Ca -0.03 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1l8y n GLU 5 Cb 0.17 0.11 0.00 0.00 -0.02 0.00 0.00 31.44 31.70 1l8y n GLU 5 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1l8y n SER 6 N -2.59 0.00 -2.48 1.62 7.64 -1.26 -4.81 113.62 111.74 1l8y n SER 6 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1l8y n SER 6 Cb 0.02 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1l8y n SER 6 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1l8y n PRO 7 N 0.00 2.50 -1.39 1.43 -0.02 -1.26 -5.02 135.00 131.25 1l8y n PRO 7 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.44 1l8y n PRO 7 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1l8y n PRO 7 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1l8y n LYS 8 N 0.00 0.35 0.00 -0.52 3.00 -1.17 -4.96 118.16 114.85 1l8y n LYS 8 Ca 0.00 -0.84 0.00 0.00 -0.00 0.00 0.00 58.31 57.47 1l8y n LYS 8 Cb 0.00 0.45 0.00 0.00 0.00 0.00 0.00 35.03 35.48 1l8y n LYS 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1l8y n ARG 9 N -0.40 0.00 0.00 1.64 5.12 0.05 -3.42 116.66 119.65 1l8y n ARG 9 Ca -0.19 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.73 1l8y n ARG 9 Cb 0.67 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.97 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 4.75 -0.03 0.16 7.54 0.00 -1.19 -2.73 120.51 129.01 1l8y n ALA 10 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 1l8y n ALA 10 Cb 0.00 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.19 1l8y n ALA 10 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1l8y h GLU 11 N 0.00 0.00 0.02 0.00 4.57 -1.72 -2.66 114.58 114.80 1l8y h GLU 11 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1l8y h GLU 11 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1l8y h GLU 11 CO 0.00 0.00 -0.01 1.49 -1.18 0.00 0.00 179.01 179.31 1l8y h GLU 12 N 0.00 -0.03 -0.42 1.92 4.22 0.48 -2.24 114.58 118.51 1l8y h GLU 12 Ca 0.14 0.00 0.08 0.00 0.08 0.00 0.00 59.36 59.67 1l8y h GLU 12 Cb 1.04 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.20 1l8y h GLU 12 CO -0.00 -0.02 -0.28 0.97 -2.18 0.00 0.00 179.01 177.50 1l8y h ILE 13 N -0.39 0.28 0.41 2.32 6.09 1.36 -2.54 117.51 125.05 1l8y h ILE 13 Ca -0.00 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.47 1l8y h ILE 13 Cb 0.02 0.28 0.00 0.00 0.47 0.00 0.00 36.82 37.60 1l8y h ILE 13 CO 0.00 0.00 -0.20 -0.25 -3.07 0.00 0.00 178.15 174.64 1l8y h TRP 14 N -0.20 -0.51 -0.22 2.19 7.01 -1.66 -2.17 115.95 120.38 1l8y h TRP 14 Ca 0.19 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.20 1l8y h TRP 14 Cb 0.51 0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.70 1l8y h TRP 14 CO -0.51 -0.32 -0.20 0.37 -2.79 0.00 0.00 178.44 174.99 1l8y h GLN 15 N -0.95 -0.08 -0.64 2.65 4.15 -1.40 1.12 115.11 119.96 1l8y h GLN 15 Ca -0.06 0.01 0.19 0.00 0.77 0.00 0.00 58.65 59.56 1l8y h GLN 15 Cb 0.42 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.11 1l8y h GLN 15 CO 0.09 -0.05 0.56 1.96 -1.93 0.00 0.00 178.83 179.46 1l8y h GLN 16 N -0.09 0.00 0.08 1.69 1.08 -1.60 1.04 115.11 117.31 1l8y h GLN 16 Ca 0.04 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.99 1l8y h GLN 16 Cb 0.18 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.64 1l8y h GLN 16 CO -0.26 0.00 -1.02 0.77 -0.95 0.00 0.00 178.83 177.37 1l8y h SER 17 N 0.00 0.76 0.00 1.46 0.02 0.14 -3.38 113.55 112.55 1l8y h SER 17 Ca 0.31 -0.81 -0.30 0.00 -0.84 0.00 0.00 61.79 60.14 1l8y h SER 17 Cb 1.43 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.68 1l8y h SER 17 CO -0.00 1.49 -1.91 1.33 -1.14 0.00 0.00 176.83 176.60 1l8y n VAL 18 N -3.94 1.52 -0.41 2.27 0.24 0.31 -4.50 118.33 113.82 1l8y n VAL 18 Ca -0.13 -0.18 0.34 0.00 -2.04 0.00 0.00 64.34 62.33 1l8y n VAL 18 Cb 0.88 -2.04 0.56 0.00 -1.47 0.00 0.00 33.84 31.76 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 -4.34 -0.15 -0.24 1.34 3.06 0.34 0.14 119.36 119.50 1l8y n ILE 19 Ca -0.40 1.34 -0.05 0.00 -2.50 0.00 0.00 62.75 61.14 1l8y n ILE 19 Cb 0.74 -2.21 0.05 0.00 0.54 0.00 0.00 39.64 38.76 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 0.96 1.88 4.50 0.00 -1.74 0.79 103.07 109.47 1l8y h GLY 20 Ca 0.70 -0.37 -0.21 0.00 0.00 0.00 0.00 47.33 47.44 1l8y h GLY 20 CO -0.28 0.36 -1.06 -1.80 0.00 0.00 0.00 176.54 173.76 1l8y h ASP 21 N 0.92 0.00 -0.27 0.19 1.82 0.90 -2.30 116.42 117.68 1l8y h ASP 21 Ca 0.25 0.00 -0.19 0.00 -0.39 0.00 0.00 57.03 56.69 1l8y h ASP 21 Cb -0.08 0.00 0.00 0.00 0.68 0.00 0.00 39.33 39.93 1l8y h ASP 21 CO -0.05 0.98 -0.59 1.88 -1.61 0.00 0.00 179.24 179.85 1l8y h TYR 22 N 0.00 1.11 0.00 0.28 0.05 -0.86 -2.50 116.97 115.05 1l8y h TYR 22 Ca -0.04 -0.41 -0.04 0.00 0.05 0.00 0.00 58.73 58.29 1l8y h TYR 22 Cb 1.78 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 39.31 1l8y h TYR 22 CO 0.00 1.25 -0.18 -0.07 -1.05 0.00 0.00 178.16 178.10 1l8y h LEU 23 N 0.66 0.00 -0.19 3.88 3.38 0.53 -3.15 115.31 120.43 1l8y h LEU 23 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1l8y h LEU 23 Cb 1.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 1l8y h LEU 23 CO 0.13 0.18 -0.09 0.00 0.09 0.00 0.00 178.44 178.75 1l8y h ALA 24 N 1.82 0.95 -0.08 1.53 0.00 -1.21 -1.11 119.26 121.15 1l8y h ALA 24 Ca -0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1l8y h ALA 24 Cb 0.96 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1l8y h ALA 24 CO 0.02 0.11 -0.34 0.07 0.00 0.00 0.00 179.25 179.12 1l8y h ARG 25 N 0.00 0.38 -0.30 0.00 0.11 -1.40 -3.33 114.38 109.84 1l8y h ARG 25 Ca -0.00 -0.30 0.00 0.00 0.10 0.00 0.00 59.98 59.78 1l8y h ARG 25 Cb 1.01 0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.14 1l8y h ARG 25 CO 0.01 0.93 0.00 0.34 0.10 0.00 0.00 179.97 181.35 1l8y n PHE 26 N -4.39 0.62 -3.69 4.08 7.35 -1.25 -5.00 117.46 115.18 1l8y n PHE 26 Ca -0.08 -0.65 -0.30 0.00 -0.76 0.00 0.00 57.45 55.66 1l8y n PHE 26 Cb 0.51 -0.14 0.03 0.00 0.35 0.00 0.00 39.48 40.24 1l8y n PHE 26 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1l8y n LYS 27 N 0.07 -1.14 0.00 -4.13 0.00 -0.76 -4.14 118.16 108.06 1l8y n LYS 27 Ca 0.15 0.52 0.00 0.00 0.00 0.00 0.00 58.31 58.97 1l8y n LYS 27 Cb 0.60 -3.87 0.00 0.00 0.00 0.00 0.00 35.03 31.76 1l8y n LYS 27 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1l8y n ASN 28 N -2.54 0.00 0.00 3.14 5.15 -0.49 -5.01 115.26 115.50 1l8y n ASN 28 Ca -0.11 0.00 0.06 0.00 -0.60 0.00 0.00 54.58 53.93 1l8y n ASN 28 Cb 0.59 0.00 0.27 0.00 -0.53 0.00 0.00 39.78 40.11 1l8y n ASN 28 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1l8y n ASP 29 N 0.00 0.01 0.00 1.20 2.03 -1.25 -4.26 116.55 114.28 1l8y n ASP 29 Ca 0.00 0.50 0.00 0.00 0.52 0.00 0.00 54.79 55.81 1l8y n ASP 29 Cb 0.00 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.90 1l8y n ASP 29 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1l8y n ARG 30 N -1.51 0.00 -0.16 -0.67 5.12 -1.26 0.22 116.66 118.40 1l8y n ARG 30 Ca 0.03 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.90 1l8y n ARG 30 Cb 0.15 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.46 1l8y n ARG 30 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1l8y h VAL 31 N 0.00 0.29 0.00 1.55 2.07 -2.00 0.79 116.25 118.95 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 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1l8y h VAL 31 CO 0.00 0.00 -1.05 0.29 0.02 0.00 0.00 177.57 176.83 1l8y n LYS 32 N -5.42 0.35 0.02 1.57 4.76 0.59 -4.00 118.16 116.03 1l8y n LYS 32 Ca 0.03 0.01 -0.05 0.00 -2.87 0.00 0.00 58.31 55.43 1l8y n LYS 32 Cb 0.33 -1.62 -0.03 0.00 -1.84 0.00 0.00 35.03 31.86 1l8y n LYS 32 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1l8y h ALA 33 N 2.44 -0.16 -0.41 7.82 0.00 0.27 -1.91 119.26 127.31 1l8y h ALA 33 Ca 0.00 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 54.92 1l8y h ALA 33 Cb 0.78 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1l8y h ALA 33 CO 0.00 -0.16 0.37 1.25 0.00 0.00 0.00 179.25 180.71 1l8y h LEU 34 N -1.02 0.00 0.00 0.00 6.46 0.35 -2.01 115.31 119.09 1l8y h LEU 34 Ca -0.02 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.72 1l8y h LEU 34 Cb 0.28 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.20 1l8y h LEU 34 CO 0.03 0.00 -0.15 0.11 -0.62 0.00 0.00 178.44 177.81 1l8y h LYS 35 N 0.00 0.00 -1.26 1.25 1.79 -1.69 -2.52 116.57 114.13 1l8y h LYS 35 Ca 0.19 -0.00 0.37 0.00 -2.18 0.00 0.00 60.65 59.03 1l8y h LYS 35 Cb 0.93 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.50 1l8y h LYS 35 CO -0.00 1.00 0.87 0.00 -1.08 0.00 0.00 179.45 180.24 1l8y h ALA 36 N -0.06 2.91 0.06 3.86 0.00 -0.62 0.88 119.26 126.30 1l8y h ALA 36 Ca -0.04 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 1l8y h ALA 36 Cb 1.04 0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.94 1l8y h ALA 36 CO -0.02 -1.35 -0.77 1.98 0.00 0.00 0.00 179.25 179.09 1l8y h MET 37 N 0.12 0.41 0.82 0.00 1.85 -1.53 -2.54 114.93 114.07 1l8y h MET 37 Ca 0.66 -0.53 -0.04 0.00 -0.61 0.00 0.00 59.70 59.18 1l8y h MET 37 Cb 2.30 0.17 0.01 0.00 0.43 0.00 0.00 31.60 34.50 1l8y h MET 37 CO -0.15 1.19 -0.40 1.49 -0.40 0.00 0.00 176.91 178.64 1l8y h GLU 38 N -0.12 -1.06 0.36 0.39 4.81 0.10 -1.49 114.58 117.57 1l8y h GLU 38 Ca -0.11 0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1l8y h GLU 38 Cb 1.51 0.24 -0.03 0.00 0.63 0.00 0.00 28.75 31.11 1l8y h GLU 38 CO 0.15 -0.71 -0.41 0.52 -0.73 0.00 0.00 179.01 177.84 1l8y h MET 39 N -1.28 -0.77 0.00 1.92 2.86 -0.62 -0.81 114.93 116.23 1l8y h MET 39 Ca -0.11 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1l8y h MET 39 Cb 0.85 0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.69 1l8y h MET 39 CO 0.19 -0.52 0.26 1.15 1.06 0.00 0.00 176.91 179.06 1l8y h THR 40 N -0.80 0.00 0.02 2.22 2.02 -1.53 0.30 112.91 115.14 1l8y h THR 40 Ca -0.03 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.90 1l8y h THR 40 Cb 0.73 0.73 0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1l8y h THR 40 CO -0.09 0.00 -1.05 -0.25 0.37 0.00 0.00 175.52 174.50 1l8y h TRP 41 N 0.00 0.87 0.00 3.16 2.91 -0.04 -3.20 115.95 119.65 1l8y h TRP 41 Ca 0.00 -0.49 -0.20 0.00 1.13 0.00 0.00 58.89 59.33 1l8y h TRP 41 Cb 0.53 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 29.05 1l8y h TRP 41 CO 0.00 1.33 -1.27 -0.91 -1.03 0.00 0.00 178.44 176.55 1l8y h ASN 42 N 0.31 0.00 0.34 2.65 2.35 -0.43 -3.24 115.58 117.56 1l8y h ASN 42 Ca -0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1l8y h ASN 42 Cb 1.70 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.07 1l8y h ASN 42 CO 0.20 0.77 0.00 0.59 -1.65 0.00 0.00 177.43 177.33 1l8y n ASN 43 N -3.07 0.00 -0.21 5.81 3.02 0.79 -1.66 115.26 119.94 1l8y n ASN 43 Ca -0.08 0.33 0.07 0.00 -0.03 0.00 0.00 54.58 54.87 1l8y n ASN 43 Cb 0.90 -0.41 -0.04 0.00 -0.61 0.00 0.00 39.78 39.63 1l8y n ASN 43 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1l8y n MET 44 N -1.41 1.89 0.00 3.52 1.56 -1.21 -5.05 117.12 116.42 1l8y n MET 44 Ca 0.04 -0.46 0.00 0.00 -0.27 0.00 0.00 57.70 57.01 1l8y n MET 44 Cb 0.12 -1.23 0.00 0.00 2.15 0.00 0.00 33.22 34.26 1l8y n MET 44 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1l8y n GLU 45 N -0.64 0.00 -0.25 2.12 1.02 -0.66 -3.58 120.64 118.64 1l8y n GLU 45 Ca 0.05 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.25 1l8y n GLU 45 Cb 0.29 0.00 0.31 0.00 -0.02 0.00 0.00 31.44 32.01 1l8y n GLU 45 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1l8y h LYS 46 N 0.00 0.84 -1.23 3.49 3.11 -1.90 -2.81 116.57 118.06 1l8y h LYS 46 Ca 0.00 -0.05 0.42 0.00 -2.81 0.00 0.00 60.65 58.21 1l8y h LYS 46 Cb 0.00 -0.19 -0.14 0.00 -1.00 0.00 0.00 32.23 30.90 1l8y h LYS 46 CO 0.00 0.55 0.77 0.87 -2.81 0.00 0.00 179.45 178.83 1l8y h LYS 47 N 0.86 0.09 0.00 1.90 1.79 -1.94 -2.72 116.57 116.56 1l8y h LYS 47 Ca 0.37 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 1l8y h LYS 47 Cb 0.33 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1l8y h LYS 47 CO -0.14 0.06 -0.08 0.39 -1.08 0.00 0.00 179.45 178.60 1l8y n GLU 48 N -4.83 0.04 0.00 3.15 1.02 -1.07 -4.35 120.64 114.60 1l8y n GLU 48 Ca 0.37 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 1l8y n GLU 48 Cb 1.36 -0.57 0.00 0.00 -0.02 0.00 0.00 31.44 32.21 1l8y n GLU 48 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1l8y n LYS 49 N -2.66 0.00 0.00 3.49 5.02 -1.16 0.10 118.16 122.96 1l8y n LYS 49 Ca -0.01 0.68 -0.10 0.00 -2.02 0.00 0.00 58.31 56.86 1l8y n LYS 49 Cb 0.04 -1.09 -0.04 0.00 -0.02 0.00 0.00 35.03 33.92 1l8y n LYS 49 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1l8y h LEU 50 N 0.00 -0.91 -2.00 -0.35 7.12 -1.74 -2.11 115.31 115.32 1l8y h LEU 50 Ca 0.00 0.14 -0.01 0.00 0.13 0.00 0.00 57.88 58.14 1l8y h LEU 50 Cb 0.00 0.39 -0.00 0.00 -0.53 0.00 0.00 40.66 40.52 1l8y h LEU 50 CO 0.00 -0.34 -0.05 0.24 -0.13 0.00 0.00 178.44 178.16 1l8y h MET 51 N -0.37 0.00 -0.42 1.25 2.86 -1.48 -0.99 114.93 115.79 1l8y h MET 51 Ca 0.10 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.67 1l8y h MET 51 Cb 0.52 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 1l8y h MET 51 CO -0.34 0.05 -0.01 -1.49 1.06 0.00 0.00 176.91 176.18 1l8y h TRP 52 N 0.00 0.71 -0.03 -0.22 4.06 0.35 -2.69 115.95 118.13 1l8y h TRP 52 Ca -0.00 -0.09 0.01 0.00 2.06 0.00 0.00 58.89 60.87 1l8y h TRP 52 Cb 0.09 -0.20 -0.03 0.00 -1.00 0.00 0.00 29.16 28.03 1l8y h TRP 52 CO 0.00 0.68 -0.23 0.82 -3.56 0.00 0.00 178.44 176.15 1l8y h ILE 53 N 0.64 0.00 -0.59 1.49 2.04 -0.91 -1.21 117.51 118.97 1l8y h ILE 53 Ca 0.13 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.16 1l8y h ILE 53 Cb 0.42 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 1l8y h ILE 53 CO 0.02 0.00 0.47 0.50 0.00 0.00 0.00 178.15 179.13 1l8y h LYS 54 N -0.26 0.00 0.17 2.37 3.64 -1.55 2.20 116.57 123.15 1l8y h LYS 54 Ca 0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1l8y h LYS 54 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1l8y h LYS 54 CO -0.17 0.00 -0.08 -0.22 -2.27 0.00 0.00 179.45 176.71 1l8y h LYS 55 N 0.00 -0.22 0.00 1.90 3.11 -0.89 1.54 116.57 122.00 1l8y h LYS 55 Ca 0.28 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.13 1l8y h LYS 55 Cb 1.21 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.49 1l8y h LYS 55 CO -0.00 -0.10 -0.60 0.00 -2.81 0.00 0.00 179.45 175.94 1l8y h ALA 56 N 0.53 0.65 0.00 5.00 0.00 -0.87 -2.48 119.26 122.08 1l8y h ALA 56 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1l8y h ALA 56 Cb 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1l8y h ALA 56 CO 0.04 0.00 -0.80 0.00 0.00 0.00 0.00 179.25 178.49 1l8y h ALA 57 N 2.29 0.59 0.00 0.00 0.00 0.39 1.72 119.26 124.26 1l8y h ALA 57 Ca 0.00 -0.72 -0.19 0.00 0.00 0.00 0.00 54.91 54.00 1l8y h ALA 57 Cb 0.85 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1l8y h ALA 57 CO 0.00 1.00 -0.90 1.49 0.00 0.00 0.00 179.25 180.84 1l8y h GLU 58 N 0.00 0.00 0.00 0.00 4.57 0.22 -3.25 114.58 116.12 1l8y h GLU 58 Ca -0.01 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1l8y h GLU 58 Cb 1.49 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.08 1l8y h GLU 58 CO 0.10 0.90 -0.00 -0.44 -1.18 0.00 0.00 179.01 178.39 1l8y h ASP 59 N 0.00 -0.00 -1.06 1.04 3.32 -1.05 -3.29 116.42 115.37 1l8y h ASP 59 Ca -0.01 -0.90 0.31 0.00 0.02 0.00 0.00 57.03 56.45 1l8y h ASP 59 Cb 1.62 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.13 1l8y h ASP 59 CO 0.12 0.92 0.86 0.06 -1.72 0.00 0.00 179.24 179.48 1l8y h GLN 60 N -0.96 0.00 -1.05 3.56 -0.00 0.25 0.70 115.11 117.61 1l8y h GLN 60 Ca -0.00 0.00 0.27 0.00 -0.00 0.00 0.00 58.65 58.92 1l8y h GLN 60 Cb 0.90 0.00 -0.10 0.00 -0.00 0.00 0.00 27.48 28.28 1l8y h GLN 60 CO 0.00 0.00 0.67 -0.22 -0.00 0.00 0.00 178.83 179.28 1l8y h LYS 61 N 0.00 0.38 -0.08 0.06 3.64 -1.63 0.38 116.57 119.31 1l8y h LYS 61 Ca 0.50 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.84 1l8y h LYS 61 Cb 2.22 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.95 1l8y h LYS 61 CO -0.01 0.25 -0.01 0.00 -2.27 0.00 0.00 179.45 177.41 1l8y h ARG 62 N 0.39 0.15 -0.55 1.90 2.47 0.22 -0.86 114.38 118.10 1l8y h ARG 62 Ca 0.60 -0.05 0.10 0.00 -1.26 0.00 0.00 59.98 59.37 1l8y h ARG 62 Cb 1.54 -0.01 -0.08 0.00 -1.65 0.00 0.00 29.97 29.77 1l8y h ARG 62 CO -0.31 0.45 0.10 0.10 0.56 0.00 0.00 179.97 180.88 1l8y h TYR 63 N -0.16 0.16 -0.33 3.04 -0.00 -0.40 0.16 116.97 119.45 1l8y h TYR 63 Ca 0.02 0.03 -0.06 0.00 0.00 0.00 0.00 58.73 58.73 1l8y h TYR 63 Cb 0.39 0.01 -0.02 0.00 0.00 0.00 0.00 36.73 37.12 1l8y h TYR 63 CO 0.04 -0.03 -0.05 0.93 -0.00 0.00 0.00 178.16 179.06 1l8y h GLU 64 N 0.23 0.53 0.00 0.10 5.08 -1.03 -1.14 114.58 118.35 1l8y h GLU 64 Ca 0.28 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1l8y h GLU 64 Cb 0.40 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1l8y h GLU 64 CO -0.37 0.59 0.00 -2.13 -1.00 0.00 0.00 179.01 176.10 1l8y n ARG 65 N -4.25 0.39 -0.06 2.33 3.00 0.33 -2.42 116.66 115.98 1l8y n ARG 65 Ca 0.01 0.05 -0.04 0.00 -0.00 0.00 0.00 57.85 57.87 1l8y n ARG 65 Cb 0.28 -1.50 -0.02 0.00 0.00 0.00 0.00 32.46 31.21 1l8y n ARG 65 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1l8y h GLU 66 N 0.00 0.00 0.11 -0.14 4.39 0.39 -3.29 114.58 116.04 1l8y h GLU 66 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1l8y h GLU 66 Cb 0.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1l8y h GLU 66 CO 0.00 0.15 -0.05 1.37 -1.16 0.00 0.00 179.01 179.31 1l8y h LEU 67 N -1.00 -0.12 -1.72 1.33 -0.00 -1.63 -3.33 115.31 108.85 1l8y h LEU 67 Ca -0.02 0.00 0.17 0.00 -0.00 0.00 0.00 57.88 58.03 1l8y h LEU 67 Cb 0.33 0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.00 1l8y h LEU 67 CO -0.01 0.16 0.67 -1.28 -0.00 0.00 0.00 178.44 177.98 1l8y h SER 68 N -0.65 0.00 0.01 0.17 0.87 -1.75 0.31 113.55 112.51 1l8y h SER 68 Ca -0.01 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1l8y h SER 68 Cb 0.11 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1l8y h SER 68 CO 0.02 0.00 -0.00 1.05 -0.53 0.00 0.00 176.83 177.37 1l8y h GLU 69 N 0.00 0.00 0.00 2.24 -0.00 -1.66 0.28 114.58 115.44 1l8y h GLU 69 Ca 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.63 1l8y h GLU 69 Cb 1.60 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.35 1l8y h GLU 69 CO -0.00 0.00 -0.04 0.52 -0.00 0.00 0.00 179.01 179.49 1l8y h MET 70 N 0.00 0.00 -0.82 1.06 2.86 -0.66 -2.98 114.93 114.39 1l8y h MET 70 Ca -0.00 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 1l8y h MET 70 Cb 0.01 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.60 1l8y h MET 70 CO 0.00 0.69 0.15 -2.13 1.06 0.00 0.00 176.91 176.68 1l8y n ARG 71 N -4.66 2.98 -2.67 1.72 0.63 -1.09 -4.33 116.66 109.24 1l8y n ARG 71 Ca -0.08 -2.05 -0.04 0.00 -0.92 0.00 0.00 57.85 54.76 1l8y n ARG 71 Cb 0.34 -1.93 0.06 0.00 0.45 0.00 0.00 32.46 31.39 1l8y n ARG 71 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1l8y n ALA 72 N 0.06 -2.15 -0.14 5.13 0.00 0.98 -4.90 120.51 119.49 1l8y n ALA 72 Ca 0.26 -0.62 -0.04 0.00 0.00 0.00 0.00 53.44 53.03 1l8y n ALA 72 Cb 1.02 -1.92 0.05 0.00 0.00 0.00 0.00 19.45 18.60 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 1.87 0.31 -0.97 0.00 0.11 -1.67 -1.58 132.00 130.06 1l8y h PRO 73 Ca -0.39 -0.02 -0.32 0.00 0.11 0.00 0.00 66.00 65.38 1l8y h PRO 73 Cb 1.22 -0.07 -0.19 0.00 0.11 0.00 0.00 31.00 32.07 1l8y h PRO 73 CO -0.07 0.20 0.41 -0.35 -0.21 0.00 0.00 178.00 177.98 1l8y n PRO 74 N -5.02 2.04 -2.49 1.05 -0.04 -1.26 -4.34 135.00 124.94 1l8y n PRO 74 Ca 0.04 -2.07 -0.20 0.00 -0.04 0.00 0.00 63.50 61.23 1l8y n PRO 74 Cb 0.18 -1.83 0.01 0.00 -0.04 0.00 0.00 33.50 31.82 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 -0.52 4.42 -2.09 0.55 0.00 -0.59 -4.22 120.51 118.05 1l8y n ALA 75 Ca 0.39 -3.81 0.00 0.00 0.00 0.00 0.00 53.44 50.03 1l8y n ALA 75 Cb 1.27 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 -0.41 2.15 0.00 0.00 0.00 -1.26 -4.69 120.51 116.30 1l8y n ALA 76 Ca 0.29 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1l8y n ALA 76 Cb 0.76 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.75 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 0.09 0.00 -0.01 0.00 -1.04 -1.26 -4.92 114.28 107.15 1l8y n THR 77 Ca -0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.79 1l8y n THR 77 Cb 0.75 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 69.13 1l8y n THR 77 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1l8y h ASN 78 N 0.00 0.34 0.05 8.00 4.21 -1.92 -3.11 115.58 123.16 1l8y h ASN 78 Ca 0.00 -0.83 -0.00 0.00 1.21 0.00 0.00 56.30 56.67 1l8y h ASN 78 Cb 0.00 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.09 1l8y h ASN 78 CO 0.00 1.69 -0.03 0.77 -1.29 0.00 0.00 177.43 178.57 1l8y h SER 79 N -0.28 -0.06 -2.71 5.81 4.64 -1.87 -3.38 113.55 115.71 1l8y h SER 79 Ca -0.35 -0.33 -0.61 0.00 -0.47 0.00 0.00 61.79 60.04 1l8y h SER 79 Cb 1.79 0.02 -0.40 0.00 -0.31 0.00 0.00 62.40 63.49 1l8y h SER 79 CO 0.03 0.30 -0.74 -1.20 -0.87 0.00 0.00 176.83 174.35 1l8y n SER 80 N -4.96 1.73 0.09 4.97 7.64 -1.26 -4.91 113.62 116.92 1l8y n SER 80 Ca -0.08 -2.92 -0.05 0.00 1.01 0.00 0.00 58.87 56.83 1l8y n SER 80 Cb 0.20 -0.67 -0.00 0.00 -1.01 0.00 0.00 64.21 62.73 1l8y n SER 80 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1l8y h LYS 81 N 5.30 0.03 -5.28 1.43 2.10 -1.73 -3.39 116.57 115.04 1l8y h LYS 81 Ca 0.19 -0.04 -0.31 0.00 -2.00 0.00 0.00 60.65 58.49 1l8y h LYS 81 Cb 0.81 0.01 0.15 0.00 -0.90 0.00 0.00 32.23 32.29 1l8y h LYS 81 CO 0.59 0.86 -0.67 1.17 -2.00 0.00 0.00 179.45 179.40 1l8y n LYS 82 N -3.56 -6.15 -3.35 0.07 4.81 -1.26 -5.01 118.16 103.70 1l8y n LYS 82 Ca -0.01 0.76 -0.09 0.00 -0.87 0.00 0.00 58.31 58.09 1l8y n LYS 82 Cb 0.81 -5.52 -0.08 0.00 0.02 0.00 0.00 35.03 30.26 1l8y n LYS 82 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1l8y s LEU 83 N -6.04 -0.62 0.00 3.14 0.20 -1.26 -5.28 118.68 108.82 1l8y s LEU 83 Ca 0.10 0.19 0.00 0.00 0.69 0.00 0.00 54.13 55.10 1l8y s LEU 83 Cb -0.04 1.09 0.00 0.00 -0.43 0.00 0.00 46.19 46.81 1l8y s LEU 83 CO 0.65 -0.30 0.00 -1.84 -0.29 0.00 0.00 176.35 174.57