#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 1.63 -2.81 1.61 4.81 -1.05 -4.87 118.16 117.48 1l8y n LYS 2 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 1l8y n LYS 2 Cb 0.00 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.12 1l8y n LYS 2 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1l8y n LEU 3 N 0.00 -1.61 -0.04 3.14 4.32 -1.26 -4.84 117.00 116.71 1l8y n LEU 3 Ca 0.00 -3.93 -0.01 0.00 -0.02 0.00 0.00 56.01 52.05 1l8y n LEU 3 Cb 0.00 0.79 -0.00 0.00 -1.62 0.00 0.00 43.42 42.59 1l8y n LEU 3 CO 0.00 2.09 -0.09 1.55 -1.22 0.00 0.00 177.39 179.71 1l8y h PRO 4 N 2.90 0.00 0.00 3.23 0.13 -1.93 -3.49 132.00 132.84 1l8y h PRO 4 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1l8y h PRO 4 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1l8y h PRO 4 CO 0.19 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.11 1l8y n GLU 5 N -3.85 0.00 -2.77 0.86 0.28 -1.26 -5.10 120.64 108.79 1l8y n GLU 5 Ca -0.02 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.95 1l8y n GLU 5 Cb 0.07 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.94 1l8y n GLU 5 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1l8y n SER 6 N -1.91 -7.05 -3.03 -1.84 2.88 -1.26 -5.02 113.62 96.39 1l8y n SER 6 Ca 0.00 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1l8y n SER 6 Cb 0.00 -4.74 0.00 0.00 -0.75 0.00 0.00 64.21 58.72 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 -1.13 1.93 -1.57 -1.46 -0.02 -1.26 -5.02 135.00 126.48 1l8y n PRO 7 Ca 0.04 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.48 1l8y n PRO 7 Cb 0.46 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.95 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 0.48 0.00 -0.52 3.00 -0.99 -4.96 118.16 115.16 1l8y n LYS 8 Ca 0.00 -0.96 0.00 0.00 -0.00 0.00 0.00 58.31 57.35 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 -0.54 0.00 0.00 1.64 5.12 -0.39 -3.43 116.66 119.07 1l8y n ARG 9 Ca -0.21 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.71 1l8y n ARG 9 Cb 0.72 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.02 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 5.40 -0.03 0.13 7.54 0.00 -1.22 -2.71 120.51 129.62 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 0.73 0.00 0.00 0.00 0.00 19.45 20.18 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 -1.69 -2.41 114.58 115.56 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 -0.41 2.33 4.22 0.86 -2.37 114.58 119.21 1l8y h GLU 12 Ca 0.16 0.00 0.09 0.00 0.08 0.00 0.00 59.36 59.69 1l8y h GLU 12 Cb 1.11 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.28 1l8y h GLU 12 CO -0.00 0.00 -0.19 0.97 -2.18 0.00 0.00 179.01 177.61 1l8y h ILE 13 N -0.60 0.43 0.30 2.32 6.09 1.03 -2.61 117.51 124.46 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 0.43 0.00 0.00 0.47 0.00 0.00 36.82 37.78 1l8y h ILE 13 CO 0.00 0.00 -0.14 -0.25 -3.07 0.00 0.00 178.15 174.69 1l8y h TRP 14 N -0.11 -0.38 -0.46 2.19 7.01 -1.63 -2.48 115.95 120.09 1l8y h TRP 14 Ca 0.20 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.24 1l8y h TRP 14 Cb 0.42 0.12 -0.07 0.00 -2.10 0.00 0.00 29.16 27.53 1l8y h TRP 14 CO -0.43 -0.23 -0.42 0.37 -2.79 0.00 0.00 178.44 174.93 1l8y h GLN 15 N -1.08 -0.18 -0.87 2.65 4.15 -1.45 1.13 115.11 119.46 1l8y h GLN 15 Ca -0.04 0.01 0.22 0.00 0.77 0.00 0.00 58.65 59.61 1l8y h GLN 15 Cb 0.31 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.99 1l8y h GLN 15 CO 0.07 -0.12 0.60 1.96 -1.93 0.00 0.00 178.83 179.41 1l8y h GLN 16 N -0.19 0.22 -0.16 1.69 1.08 -1.62 1.07 115.11 117.20 1l8y h GLN 16 Ca 0.08 -0.01 -0.10 0.00 -1.45 0.00 0.00 58.65 57.16 1l8y h GLN 16 Cb 0.39 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 1l8y h GLN 16 CO -0.54 0.15 -0.29 0.77 -0.95 0.00 0.00 178.83 177.97 1l8y h SER 17 N 0.23 0.53 0.00 1.46 0.02 0.14 -3.30 113.55 112.63 1l8y h SER 17 Ca 0.44 -0.54 -0.04 0.00 -0.84 0.00 0.00 61.79 60.81 1l8y h SER 17 Cb 1.36 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 1l8y h SER 17 CO -0.11 0.98 -0.52 -0.37 -1.14 0.00 0.00 176.83 175.67 1l8y h VAL 18 N 0.11 0.21 -1.50 2.27 -1.51 0.24 -3.38 116.25 112.69 1l8y h VAL 18 Ca 0.01 -1.23 0.47 0.00 -1.23 0.00 0.00 66.70 64.72 1l8y h VAL 18 Cb 0.88 0.47 -0.10 0.00 -2.13 0.00 0.00 31.29 30.40 1l8y h VAL 18 CO 0.07 0.07 1.03 0.00 -1.23 0.00 0.00 177.57 177.50 1l8y n ILE 19 N -4.62 -0.13 -0.22 7.19 3.06 0.35 0.12 119.36 125.12 1l8y n ILE 19 Ca -0.10 1.51 -0.07 0.00 -2.50 0.00 0.00 62.75 61.59 1l8y n ILE 19 Cb 0.29 -2.49 0.03 0.00 0.54 0.00 0.00 39.64 38.01 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 0.98 1.69 4.50 0.00 -1.71 0.86 103.07 109.40 1l8y h GLY 20 Ca 0.83 -0.53 -0.07 0.00 0.00 0.00 0.00 47.33 47.55 1l8y h GLY 20 CO -0.24 0.50 -0.57 -1.80 0.00 0.00 0.00 176.54 174.44 1l8y h ASP 21 N 0.85 0.00 0.18 0.19 1.82 0.70 -2.83 116.42 117.34 1l8y h ASP 21 Ca 0.20 0.00 -0.24 0.00 -0.39 0.00 0.00 57.03 56.60 1l8y h ASP 21 Cb 0.20 0.00 0.03 0.00 0.68 0.00 0.00 39.33 40.24 1l8y h ASP 21 CO -0.02 0.29 -1.06 1.88 -1.61 0.00 0.00 179.24 178.72 1l8y h TYR 22 N 0.00 0.69 0.00 0.28 0.05 -0.75 -2.78 116.97 114.47 1l8y h TYR 22 Ca -0.03 -0.51 -0.04 0.00 0.05 0.00 0.00 58.73 58.20 1l8y h TYR 22 Cb 1.25 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.95 1l8y h TYR 22 CO 0.00 1.41 -0.20 -0.07 -1.05 0.00 0.00 178.16 178.24 1l8y h LEU 23 N -0.19 0.00 -0.00 3.88 3.38 0.66 -3.17 115.31 119.86 1l8y h LEU 23 Ca -0.19 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1l8y h LEU 23 Cb 1.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.58 1l8y h LEU 23 CO 0.19 0.20 -0.01 0.00 0.09 0.00 0.00 178.44 178.92 1l8y h ALA 24 N 1.80 0.00 -0.99 1.53 0.00 -1.54 0.22 119.26 120.29 1l8y h ALA 24 Ca -0.00 -0.38 0.32 0.00 0.00 0.00 0.00 54.91 54.85 1l8y h ALA 24 Cb 0.60 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.23 1l8y h ALA 24 CO 0.03 -0.11 0.52 0.07 0.00 0.00 0.00 179.25 179.75 1l8y h ARG 25 N -0.75 0.27 0.00 0.00 0.11 -1.46 -1.12 114.38 111.43 1l8y h ARG 25 Ca -0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1l8y h ARG 25 Cb 0.77 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.79 1l8y h ARG 25 CO 0.00 0.18 -0.01 0.34 0.10 0.00 0.00 179.97 180.58 1l8y n PHE 26 N -5.10 0.00 -3.91 4.08 7.35 -1.25 -5.01 117.46 113.62 1l8y n PHE 26 Ca 0.31 -0.67 -0.38 0.00 -0.76 0.00 0.00 57.45 55.95 1l8y n PHE 26 Cb 0.98 -0.09 0.02 0.00 0.35 0.00 0.00 39.48 40.74 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 -0.84 -0.96 0.00 -4.13 4.76 -0.21 -4.14 118.16 112.64 1l8y n LYS 27 Ca 0.06 0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.77 1l8y n LYS 27 Cb 0.42 -3.43 0.00 0.00 -1.84 0.00 0.00 35.03 30.18 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 5.15 0.62 -5.01 115.26 117.92 1l8y n ASN 28 Ca -0.13 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 53.93 1l8y n ASN 28 Cb 0.59 0.00 0.41 0.00 -0.53 0.00 0.00 39.78 40.25 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 0.00 0.00 1.20 2.03 -1.23 -4.31 116.55 114.24 1l8y n ASP 29 Ca 0.00 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.51 1l8y n ASP 29 Cb 0.00 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.04 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 -1.36 0.00 -0.25 -0.67 5.12 -1.26 0.24 116.66 118.47 1l8y n ARG 30 Ca 0.07 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.98 1l8y n ARG 30 Cb 0.16 0.00 0.06 0.00 -1.16 0.00 0.00 32.46 31.52 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 0.19 0.00 1.55 2.07 -1.99 0.47 116.25 118.54 1l8y h VAL 31 Ca 0.00 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 1l8y h VAL 31 Cb 0.00 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 1l8y h VAL 31 CO 0.00 0.00 -0.68 0.11 0.02 0.00 0.00 177.57 177.02 1l8y h LYS 32 N -0.06 0.00 0.52 1.57 1.57 0.28 -3.31 116.57 117.14 1l8y h LYS 32 Ca 0.32 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.07 1l8y h LYS 32 Cb 0.56 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.88 1l8y h LYS 32 CO -0.77 0.42 -0.25 0.00 -0.57 0.00 0.00 179.45 178.28 1l8y h ALA 33 N 1.53 -1.09 -0.78 3.86 0.00 0.41 0.37 119.26 123.56 1l8y h ALA 33 Ca -0.04 -0.15 0.23 0.00 0.00 0.00 0.00 54.91 54.95 1l8y h ALA 33 Cb 1.39 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 1l8y h ALA 33 CO 0.06 -1.04 0.62 1.25 0.00 0.00 0.00 179.25 180.14 1l8y h LEU 34 N -0.75 0.00 0.09 0.00 6.46 -0.51 -1.31 115.31 119.29 1l8y h LEU 34 Ca -0.07 0.00 -0.19 0.00 -0.12 0.00 0.00 57.88 57.50 1l8y h LEU 34 Cb 0.53 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 1l8y h LEU 34 CO 0.12 0.00 -0.93 0.11 -0.62 0.00 0.00 178.44 177.11 1l8y h LYS 35 N 0.00 0.18 -1.10 1.25 1.79 -1.61 -1.89 116.57 115.20 1l8y h LYS 35 Ca 0.37 -0.31 0.32 0.00 -2.18 0.00 0.00 60.65 58.85 1l8y h LYS 35 Cb 1.61 0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 32.33 1l8y h LYS 35 CO -0.00 1.15 0.79 0.00 -1.08 0.00 0.00 179.45 180.31 1l8y h ALA 36 N -0.06 3.04 0.11 3.86 0.00 0.90 0.21 119.26 127.33 1l8y h ALA 36 Ca -0.20 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.40 1l8y h ALA 36 Cb 1.52 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 1l8y h ALA 36 CO 0.04 -1.36 -1.37 1.98 0.00 0.00 0.00 179.25 178.54 1l8y h MET 37 N 0.00 0.23 0.27 0.00 1.85 -1.52 -3.22 114.93 112.54 1l8y h MET 37 Ca 0.52 -0.40 -0.01 0.00 -0.61 0.00 0.00 59.70 59.21 1l8y h MET 37 Cb 2.10 0.15 0.00 0.00 0.43 0.00 0.00 31.60 34.28 1l8y h MET 37 CO -0.01 1.19 -0.15 1.49 -0.40 0.00 0.00 176.91 179.03 1l8y h GLU 38 N -0.34 -0.37 -0.42 0.39 4.81 0.19 0.33 114.58 119.18 1l8y h GLU 38 Ca -0.30 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.08 1l8y h GLU 38 Cb 1.73 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 31.18 1l8y h GLU 38 CO 0.05 -0.25 0.37 0.52 -0.73 0.00 0.00 179.01 178.97 1l8y h MET 39 N -0.39 0.00 -0.03 1.92 0.00 -1.25 0.52 114.93 115.70 1l8y h MET 39 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.66 1l8y h MET 39 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 31.60 31.90 1l8y h MET 39 CO 0.05 0.00 0.00 2.41 0.00 0.00 0.00 176.91 179.37 1l8y n THR 40 N -4.04 0.02 -0.12 2.22 -1.04 -1.05 -3.33 114.28 106.94 1l8y n THR 40 Ca 0.07 -0.31 -0.23 0.00 -2.04 0.00 0.00 64.05 61.55 1l8y n THR 40 Cb 0.55 0.67 -0.11 0.00 -1.82 0.00 0.00 70.33 69.62 1l8y n THR 40 CO 0.00 0.00 0.00 1.87 -0.64 0.00 0.00 175.07 176.30 1l8y n TRP 41 N 0.41 0.20 0.10 -1.42 -0.00 0.18 -4.33 117.44 112.58 1l8y n TRP 41 Ca 0.18 0.06 -0.19 0.00 -0.00 0.00 0.00 57.50 57.54 1l8y n TRP 41 Cb 0.40 -1.02 -0.15 0.00 -0.00 0.00 0.00 31.31 30.54 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 -0.40 0.55 -0.12 5.87 2.35 -1.64 -3.25 115.58 118.94 1l8y h ASN 42 Ca -0.59 -0.65 0.03 0.00 -0.55 0.00 0.00 56.30 54.54 1l8y h ASN 42 Cb 1.78 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 39.97 1l8y h ASN 42 CO -0.20 1.52 0.17 -0.55 -1.65 0.00 0.00 177.43 176.73 1l8y h ASN 43 N 0.10 0.00 0.85 5.81 -0.00 -1.80 0.18 115.58 120.71 1l8y h ASN 43 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.08 1l8y h ASN 43 Cb 2.05 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 40.37 1l8y h ASN 43 CO 0.21 0.00 -0.44 0.80 -0.00 0.00 0.00 177.43 178.00 1l8y n MET 44 N -3.58 0.17 0.00 4.14 1.56 -1.23 -5.04 117.12 113.13 1l8y n MET 44 Ca 0.00 0.07 0.00 0.00 -0.27 0.00 0.00 57.70 57.50 1l8y n MET 44 Cb 0.27 -1.62 0.00 0.00 2.15 0.00 0.00 33.22 34.02 1l8y n MET 44 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1l8y n GLU 45 N -1.87 0.00 0.18 2.12 2.13 0.61 -3.21 120.64 120.60 1l8y n GLU 45 Ca 0.05 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.98 1l8y n GLU 45 Cb 0.40 0.00 0.62 0.00 0.27 0.00 0.00 31.44 32.73 1l8y n GLU 45 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1l8y h LYS 46 N 0.00 0.00 0.02 5.31 3.11 -1.90 -3.18 116.57 119.92 1l8y h LYS 46 Ca 0.00 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 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 -0.01 -0.22 -2.81 0.00 0.00 179.45 176.41 1l8y h LYS 47 N 0.00 -0.02 0.00 1.90 1.63 -1.91 -3.10 116.57 115.06 1l8y h LYS 47 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1l8y h LYS 47 Cb 0.03 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1l8y h LYS 47 CO 0.00 -0.01 0.00 0.39 -3.45 0.00 0.00 179.45 176.38 1l8y n GLU 48 N -2.07 0.00 0.00 1.90 -0.58 -1.22 -2.56 120.64 116.10 1l8y n GLU 48 Ca -0.00 0.31 0.00 0.00 -0.42 0.00 0.00 57.16 57.05 1l8y n GLU 48 Cb 0.01 -1.21 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 1l8y n GLU 48 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1l8y n LYS 49 N -1.44 0.00 0.08 3.49 5.02 -1.20 0.05 118.16 124.16 1l8y n LYS 49 Ca 0.00 0.52 -0.13 0.00 -2.02 0.00 0.00 58.31 56.68 1l8y n LYS 49 Cb 0.00 -0.85 -0.06 0.00 -0.02 0.00 0.00 35.03 34.10 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 -1.14 -2.17 -0.35 7.12 -1.71 -2.26 115.31 114.80 1l8y h LEU 50 Ca 0.00 0.14 -0.00 0.00 0.13 0.00 0.00 57.88 58.14 1l8y h LEU 50 Cb 0.00 0.44 -0.00 0.00 -0.53 0.00 0.00 40.66 40.57 1l8y h LEU 50 CO 0.00 -0.44 -0.02 0.24 -0.13 0.00 0.00 178.44 178.09 1l8y h MET 51 N -0.57 0.00 -0.24 1.25 2.86 -1.17 -0.37 114.93 116.69 1l8y h MET 51 Ca 0.04 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 1l8y h MET 51 Cb 0.63 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 1l8y h MET 51 CO -0.27 0.02 -0.20 -1.49 1.06 0.00 0.00 176.91 176.03 1l8y h TRP 52 N 0.00 0.48 0.09 -0.22 4.06 0.21 -2.84 115.95 117.72 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 0.04 -0.12 -0.03 0.00 -1.00 0.00 0.00 29.16 28.05 1l8y h TRP 52 CO 0.00 0.61 -0.30 0.82 -3.56 0.00 0.00 178.44 176.01 1l8y h ILE 53 N 0.39 0.00 -0.77 1.49 2.04 -0.76 -2.26 117.51 117.65 1l8y h ILE 53 Ca 0.07 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.10 1l8y h ILE 53 Cb 0.58 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.61 1l8y h ILE 53 CO 0.04 0.00 0.52 0.50 0.00 0.00 0.00 178.15 179.21 1l8y h LYS 54 N -0.45 0.31 -0.10 2.37 3.64 -1.55 2.03 116.57 122.82 1l8y h LYS 54 Ca -0.01 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1l8y h LYS 54 Cb 0.44 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1l8y h LYS 54 CO -0.15 0.20 -0.05 -0.22 -2.27 0.00 0.00 179.45 176.96 1l8y h LYS 55 N 0.32 -0.04 0.00 1.90 3.64 -1.17 1.60 116.57 122.82 1l8y h LYS 55 Ca 0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1l8y h LYS 55 Cb 1.03 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1l8y h LYS 55 CO -0.11 -0.03 -0.60 0.00 -2.27 0.00 0.00 179.45 176.45 1l8y n ALA 56 N -2.30 2.95 0.08 5.00 0.00 -0.54 -2.05 120.51 123.64 1l8y n ALA 56 Ca -0.04 -0.25 -0.05 0.00 0.00 0.00 0.00 53.44 53.10 1l8y n ALA 56 Cb 0.10 -1.18 -0.07 0.00 0.00 0.00 0.00 19.45 18.31 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 2.55 0.46 0.00 0.00 0.00 0.39 1.60 119.26 124.26 1l8y h ALA 57 Ca 0.00 -0.79 -0.15 0.00 0.00 0.00 0.00 54.91 53.97 1l8y h ALA 57 Cb 0.72 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1l8y h ALA 57 CO 0.00 1.09 -1.00 1.49 0.00 0.00 0.00 179.25 180.82 1l8y h GLU 58 N 0.00 0.00 0.17 0.00 4.81 0.23 -3.32 114.58 116.46 1l8y h GLU 58 Ca -0.01 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.91 1l8y h GLU 58 Cb 1.65 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.03 1l8y h GLU 58 CO 0.11 0.45 -1.52 -0.44 -0.73 0.00 0.00 179.01 176.88 1l8y h ASP 59 N 0.00 0.55 -0.31 1.04 3.32 -1.24 -3.32 116.42 116.45 1l8y h ASP 59 Ca -0.09 -0.91 0.09 0.00 0.02 0.00 0.00 57.03 56.14 1l8y h ASP 59 Cb 1.53 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.89 1l8y h ASP 59 CO 0.06 1.69 0.38 0.06 -1.72 0.00 0.00 179.24 179.71 1l8y h GLN 60 N -0.08 0.00 -0.96 3.56 -0.00 0.22 -1.69 115.11 116.16 1l8y h GLN 60 Ca -0.30 0.00 0.31 0.00 -0.00 0.00 0.00 58.65 58.66 1l8y h GLN 60 Cb 1.95 0.00 -0.16 0.00 -0.00 0.00 0.00 27.48 29.27 1l8y h GLN 60 CO 0.14 0.00 0.38 -0.22 -0.00 0.00 0.00 178.83 179.14 1l8y h LYS 61 N 0.00 0.16 -0.16 0.06 3.64 -1.67 0.43 116.57 119.03 1l8y h LYS 61 Ca 0.15 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1l8y h LYS 61 Cb 0.91 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 1l8y h LYS 61 CO -0.00 0.11 0.07 -0.09 -2.27 0.00 0.00 179.45 177.26 1l8y h ARG 62 N 0.17 0.24 -0.65 1.90 2.43 -1.57 -3.08 114.38 113.82 1l8y h ARG 62 Ca 0.69 -0.04 0.14 0.00 -0.81 0.00 0.00 59.98 59.95 1l8y h ARG 62 Cb 1.58 -0.04 -0.11 0.00 -0.42 0.00 0.00 29.97 30.98 1l8y h ARG 62 CO -0.71 0.32 -0.03 0.10 -1.51 0.00 0.00 179.97 178.14 1l8y h TYR 63 N 0.11 -0.10 -0.42 2.20 -0.00 -0.31 -0.59 116.97 117.86 1l8y h TYR 63 Ca 0.05 0.05 0.09 0.00 0.00 0.00 0.00 58.73 58.92 1l8y h TYR 63 Cb 0.16 0.15 -0.09 0.00 0.00 0.00 0.00 36.73 36.95 1l8y h TYR 63 CO -0.02 -0.20 -0.19 0.93 -0.00 0.00 0.00 178.16 178.68 1l8y h GLU 64 N 0.09 -0.10 0.00 0.10 3.07 -1.39 1.04 114.58 117.39 1l8y h GLU 64 Ca 0.34 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 1l8y h GLU 64 Cb 0.56 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 1l8y h GLU 64 CO -0.58 -0.07 0.00 0.54 -1.40 0.00 0.00 179.01 177.50 1l8y n ARG 65 N -5.38 0.69 -0.13 2.33 3.00 -0.36 -2.35 116.66 114.46 1l8y n ARG 65 Ca 0.03 0.00 -0.21 0.00 -0.01 0.00 0.00 57.85 57.66 1l8y n ARG 65 Cb 0.29 -1.43 -0.12 0.00 0.00 0.00 0.00 32.46 31.20 1l8y n ARG 65 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1l8y n GLU 66 N -0.93 0.64 0.00 5.56 0.00 0.32 -4.10 120.64 122.13 1l8y n GLU 66 Ca 0.14 0.17 0.00 0.00 0.00 0.00 0.00 57.16 57.48 1l8y n GLU 66 Cb 0.07 -1.51 0.00 0.00 0.00 0.00 0.00 31.44 29.99 1l8y n GLU 66 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1l8y n LEU 67 N -3.48 1.50 -0.24 4.31 4.32 0.13 -3.28 117.00 120.27 1l8y n LEU 67 Ca -0.48 0.27 0.05 0.00 -0.02 0.00 0.00 56.01 55.83 1l8y n LEU 67 Cb 0.97 -0.23 0.17 0.00 -1.62 0.00 0.00 43.42 42.71 1l8y n LEU 67 CO 0.21 -0.23 0.90 -1.28 -1.22 0.00 0.00 177.39 175.77 1l8y h SER 68 N 0.00 -0.10 -0.66 -1.43 0.87 -1.71 1.28 113.55 111.80 1l8y h SER 68 Ca 0.00 0.16 0.19 0.00 -1.23 0.00 0.00 61.79 60.91 1l8y h SER 68 Cb 0.00 0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1l8y h SER 68 CO 0.00 -0.08 0.54 1.05 -0.53 0.00 0.00 176.83 177.81 1l8y h GLU 69 N 0.21 0.00 0.04 2.24 4.11 -1.71 -0.27 114.58 119.20 1l8y h GLU 69 Ca 0.41 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.49 1l8y h GLU 69 Cb 0.70 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 1l8y h GLU 69 CO -0.55 0.00 -1.98 -0.12 0.07 0.00 0.00 179.01 176.43 1l8y n MET 70 N -4.07 0.65 -0.21 1.06 1.56 0.39 -3.67 117.12 112.84 1l8y n MET 70 Ca 0.13 0.33 -0.00 0.00 -0.27 0.00 0.00 57.70 57.89 1l8y n MET 70 Cb 0.79 -1.65 0.07 0.00 2.15 0.00 0.00 33.22 34.58 1l8y n MET 70 CO 0.00 0.00 0.00 -2.13 -0.73 0.00 0.00 175.97 173.11 1l8y n ARG 71 N -3.84 1.65 -2.65 2.12 0.63 0.13 -4.14 116.66 110.56 1l8y n ARG 71 Ca -0.39 -0.65 -0.03 0.00 -0.92 0.00 0.00 57.85 55.87 1l8y n ARG 71 Cb 0.91 -1.54 0.04 0.00 0.45 0.00 0.00 32.46 32.32 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 0.14 -2.94 0.02 5.13 0.00 -0.17 -4.95 120.51 117.74 1l8y n ALA 72 Ca 0.08 -0.34 -0.11 0.00 0.00 0.00 0.00 53.44 53.07 1l8y n ALA 72 Cb 0.54 -2.00 -0.05 0.00 0.00 0.00 0.00 19.45 17.94 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 1.51 -0.03 -1.03 0.00 0.11 -1.72 -2.70 132.00 128.15 1l8y h PRO 73 Ca -0.49 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.15 1l8y h PRO 73 Cb 1.23 0.01 -0.26 0.00 0.11 0.00 0.00 31.00 32.09 1l8y h PRO 73 CO -0.14 -0.02 0.60 -0.35 -0.21 0.00 0.00 178.00 177.89 1l8y n PRO 74 N -5.14 2.14 -2.51 1.05 -0.04 -1.26 -4.51 135.00 124.73 1l8y n PRO 74 Ca -0.05 -2.63 -0.26 0.00 -0.04 0.00 0.00 63.50 60.51 1l8y n PRO 74 Cb 0.08 -2.03 -0.00 0.00 -0.04 0.00 0.00 33.50 31.51 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 -0.85 5.00 -2.02 0.55 0.00 -1.02 -3.16 120.51 119.02 1l8y n ALA 75 Ca 0.52 -4.31 0.02 0.00 0.00 0.00 0.00 53.44 49.67 1l8y n ALA 75 Cb 1.34 -0.56 0.03 0.00 0.00 0.00 0.00 19.45 20.27 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 -0.46 2.21 0.00 0.00 0.00 -1.26 -4.45 120.51 116.55 1l8y n ALA 76 Ca 0.38 -1.66 0.00 0.00 0.00 0.00 0.00 53.44 52.16 1l8y n ALA 76 Cb 0.65 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.56 1l8y n ALA 76 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1l8y n THR 77 N -0.08 0.00 0.00 0.00 -2.24 -1.26 -4.97 114.28 105.73 1l8y n THR 77 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1l8y n THR 77 Cb 0.82 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 1l8y n THR 77 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1l8y n ASN 78 N -1.37 0.00 0.17 3.42 4.13 -1.26 -4.35 115.26 115.99 1l8y n ASN 78 Ca 0.00 0.09 0.19 0.00 1.68 0.00 0.00 54.58 56.54 1l8y n ASN 78 Cb 0.00 -0.39 0.78 0.00 -1.54 0.00 0.00 39.78 38.63 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 0.00 0.56 6.41 0.87 -1.88 -2.36 113.55 117.15 1l8y h SER 79 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1l8y h SER 79 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1l8y h SER 79 CO 0.00 0.00 -0.46 0.77 -0.53 0.00 0.00 176.83 176.61 1l8y h SER 80 N 0.00 -1.22 -4.27 6.23 4.64 -1.78 -3.43 113.55 113.72 1l8y h SER 80 Ca 0.13 0.09 -0.52 0.00 -0.47 0.00 0.00 61.79 61.02 1l8y h SER 80 Cb 0.87 0.39 0.18 0.00 -0.31 0.00 0.00 62.40 63.53 1l8y h SER 80 CO -0.00 -0.65 0.25 -0.75 -0.87 0.00 0.00 176.83 174.81 1l8y s LYS 81 N -5.93 1.32 -0.70 4.77 2.20 -0.89 -4.98 119.74 115.53 1l8y s LYS 81 Ca -0.18 1.50 0.04 0.00 -0.36 0.00 0.00 55.97 56.97 1l8y s LYS 81 Cb 0.04 -1.77 0.29 0.00 -1.51 0.00 0.00 37.83 34.89 1l8y s LYS 81 CO 0.61 -2.40 0.96 0.36 -0.36 0.00 0.00 175.35 174.53 1l8y n LYS 82 N -4.00 3.16 -2.15 4.03 2.85 -1.26 -4.98 118.16 115.81 1l8y n LYS 82 Ca 0.11 -4.72 0.00 0.00 -1.05 0.00 0.00 58.31 52.65 1l8y n LYS 82 Cb 0.52 -2.30 0.00 0.00 -0.65 0.00 0.00 35.03 32.60 1l8y n LYS 82 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1l8y n LEU 83 N 0.52 -6.11 0.00 -5.58 7.94 -1.26 -5.26 117.00 107.25 1l8y n LEU 83 Ca 0.31 2.71 0.00 0.00 -1.11 0.00 0.00 56.01 57.92 1l8y n LEU 83 Cb 0.39 -3.03 0.00 0.00 0.53 0.00 0.00 43.42 41.30 1l8y n LEU 83 CO 0.43 -2.39 0.00 -0.62 -1.11 0.00 0.00 177.39 173.70