#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 2.52 -3.11 1.61 5.02 -0.57 -4.92 118.16 118.71 1l8y n LYS 2 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 1l8y n LYS 2 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1l8y n LYS 2 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1l8y n LEU 3 N 0.00 1.68 0.00 -0.35 -0.00 -1.26 -4.82 117.00 112.25 1l8y n LEU 3 Ca 0.00 -5.11 0.00 0.00 -0.00 0.00 0.00 56.01 50.90 1l8y n LEU 3 Cb 0.00 0.42 0.00 0.00 -0.00 0.00 0.00 43.42 43.84 1l8y n LEU 3 CO 0.00 2.28 0.00 -0.81 -0.00 0.00 0.00 177.39 178.86 1l8y n PRO 4 N 0.14 0.00 -0.07 1.47 -0.04 -1.26 -4.92 135.00 130.32 1l8y n PRO 4 Ca 0.26 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.61 1l8y n PRO 4 Cb 0.61 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 34.00 1l8y n PRO 4 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1l8y n GLU 5 N 0.00 0.35 -3.71 0.54 4.07 -1.26 -5.06 120.64 115.58 1l8y n GLU 5 Ca 0.00 0.09 -0.28 0.00 -0.06 0.00 0.00 57.16 56.91 1l8y n GLU 5 Cb 0.00 -1.26 0.02 0.00 -0.06 0.00 0.00 31.44 30.14 1l8y n GLU 5 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1l8y n SER 6 N -3.01 -5.31 -3.06 4.31 7.64 -1.26 -4.95 113.62 107.98 1l8y n SER 6 Ca -0.26 -0.92 0.00 0.00 1.01 0.00 0.00 58.87 58.70 1l8y n SER 6 Cb 0.76 -2.74 0.00 0.00 -1.01 0.00 0.00 64.21 61.23 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 -3.47 -0.21 -1.55 1.43 -0.02 -1.26 -5.01 135.00 124.91 1l8y n PRO 7 Ca -0.16 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.29 1l8y n PRO 7 Cb 0.61 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 34.08 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 -1.08 0.38 0.00 -0.52 4.76 -1.19 -4.99 118.16 115.52 1l8y n LYS 8 Ca 0.00 -1.46 0.00 0.00 -2.87 0.00 0.00 58.31 53.98 1l8y n LYS 8 Cb 0.00 0.21 0.00 0.00 -1.84 0.00 0.00 35.03 33.40 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 -0.21 0.00 0.00 1.97 5.12 0.17 -3.48 116.66 120.23 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 6.07 0.00 -0.06 7.54 0.00 -0.96 -2.69 120.51 130.40 1l8y n ALA 10 Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.69 1l8y n ALA 10 Cb 0.00 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.08 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 0.04 0.00 4.57 -1.69 -2.24 114.58 115.26 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 -0.02 1.49 -1.18 0.00 0.00 179.01 179.30 1l8y h GLU 12 N 0.00 -0.06 0.12 1.92 4.22 -0.40 -2.08 114.58 118.30 1l8y h GLU 12 Ca 0.34 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.81 1l8y h GLU 12 Cb 1.92 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 31.14 1l8y h GLU 12 CO -0.00 -0.04 -0.29 0.97 -2.18 0.00 0.00 179.01 177.47 1l8y h ILE 13 N -0.84 0.38 0.20 2.32 6.09 0.27 -2.62 117.51 123.31 1l8y h ILE 13 Ca -0.01 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.47 1l8y h ILE 13 Cb 0.04 0.38 0.00 0.00 0.47 0.00 0.00 36.82 37.71 1l8y h ILE 13 CO 0.01 0.00 -0.09 -0.25 -3.07 0.00 0.00 178.15 174.75 1l8y h TRP 14 N -0.50 -0.24 -0.13 2.19 7.01 -1.61 -2.47 115.95 120.20 1l8y h TRP 14 Ca 0.03 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.05 1l8y h TRP 14 Cb 0.53 0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 27.62 1l8y h TRP 14 CO -0.26 0.14 -0.45 0.37 -2.79 0.00 0.00 178.44 175.44 1l8y h GLN 15 N -0.92 -0.46 -0.87 2.65 5.75 -1.45 0.69 115.11 120.50 1l8y h GLN 15 Ca -0.03 0.03 0.24 0.00 -0.15 0.00 0.00 58.65 58.74 1l8y h GLN 15 Cb 0.49 0.10 -0.04 0.00 1.07 0.00 0.00 27.48 29.10 1l8y h GLN 15 CO 0.04 -0.31 0.61 1.96 -2.65 0.00 0.00 178.83 178.49 1l8y h GLN 16 N -0.48 0.09 -0.13 1.69 1.08 -1.56 1.27 115.11 117.07 1l8y h GLN 16 Ca 0.03 -0.01 -0.14 0.00 -1.45 0.00 0.00 58.65 57.08 1l8y h GLN 16 Cb 0.56 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 27.98 1l8y h GLN 16 CO -0.37 0.06 -0.48 0.77 -0.95 0.00 0.00 178.83 177.86 1l8y h SER 17 N 0.10 0.65 0.00 1.46 0.02 0.38 -3.37 113.55 112.78 1l8y h SER 17 Ca 0.43 -0.62 -0.40 0.00 -0.84 0.00 0.00 61.79 60.36 1l8y h SER 17 Cb 1.53 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 63.83 1l8y h SER 17 CO -0.05 1.16 -2.21 1.33 -1.14 0.00 0.00 176.83 175.91 1l8y n VAL 18 N -4.23 1.53 -0.61 2.27 0.24 0.19 -4.47 118.33 113.26 1l8y n VAL 18 Ca -0.07 -0.29 0.46 0.00 -2.04 0.00 0.00 64.34 62.40 1l8y n VAL 18 Cb 0.59 -1.94 0.72 0.00 -1.47 0.00 0.00 33.84 31.74 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 -4.30 -0.05 -0.05 1.34 3.06 0.42 0.16 119.36 119.94 1l8y n ILE 19 Ca -0.48 1.41 -0.09 0.00 -2.50 0.00 0.00 62.75 61.09 1l8y n ILE 19 Cb 0.82 -2.35 0.06 0.00 0.54 0.00 0.00 39.64 38.71 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 0.76 1.60 4.50 0.00 -1.72 1.06 103.07 109.27 1l8y h GLY 20 Ca 0.85 -0.77 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1l8y h GLY 20 CO -0.09 0.70 -0.47 -1.80 0.00 0.00 0.00 176.54 174.87 1l8y h ASP 21 N 0.57 0.00 0.12 0.19 3.58 0.13 -1.84 116.42 119.17 1l8y h ASP 21 Ca 0.05 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.21 1l8y h ASP 21 Cb 0.94 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.98 1l8y h ASP 21 CO 0.09 0.07 -1.46 1.88 -2.88 0.00 0.00 179.24 176.94 1l8y h TYR 22 N 0.00 0.46 -0.00 0.28 0.05 -0.93 -3.14 116.97 113.69 1l8y h TYR 22 Ca -0.01 -0.33 -0.12 0.00 0.05 0.00 0.00 58.73 58.32 1l8y h TYR 22 Cb 1.06 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.77 1l8y h TYR 22 CO 0.00 1.57 -0.57 -0.07 -1.05 0.00 0.00 178.16 178.04 1l8y h LEU 23 N -0.27 0.01 0.07 3.88 3.38 0.11 -3.21 115.31 119.27 1l8y h LEU 23 Ca -0.31 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1l8y h LEU 23 Cb 1.79 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.54 1l8y h LEU 23 CO 0.06 0.58 -0.03 0.00 0.09 0.00 0.00 178.44 179.14 1l8y h ALA 24 N 1.42 -0.09 -1.53 1.53 0.00 -1.45 1.45 119.26 120.59 1l8y h ALA 24 Ca -0.01 -0.10 0.44 0.00 0.00 0.00 0.00 54.91 55.25 1l8y h ALA 24 Cb 1.01 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 1l8y h ALA 24 CO 0.07 -0.47 1.09 0.07 0.00 0.00 0.00 179.25 180.02 1l8y h ARG 25 N -0.26 0.01 -0.09 0.00 0.11 -1.55 -1.24 114.38 111.36 1l8y h ARG 25 Ca -0.01 -0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.88 1l8y h ARG 25 Cb 0.23 -0.00 -0.36 0.00 1.11 0.00 0.00 29.97 30.94 1l8y h ARG 25 CO 0.02 0.01 -0.97 0.34 0.10 0.00 0.00 179.97 179.46 1l8y n PHE 26 N -4.11 0.22 -1.94 4.08 7.35 -1.12 -4.99 117.46 116.95 1l8y n PHE 26 Ca 0.34 -0.90 0.00 0.00 -0.76 0.00 0.00 57.45 56.13 1l8y n PHE 26 Cb 1.58 -0.06 0.00 0.00 0.35 0.00 0.00 39.48 41.35 1l8y n PHE 26 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 1l8y n LYS 27 N 0.15 -2.43 0.00 -4.13 -0.00 0.44 -3.55 118.16 108.64 1l8y n LYS 27 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 1l8y n LYS 27 Cb 1.03 -3.28 0.00 0.00 -0.00 0.00 0.00 35.03 32.77 1l8y n LYS 27 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1l8y n ASN 28 N -1.07 0.00 -0.52 -5.58 4.13 0.19 -4.94 115.26 107.47 1l8y n ASN 28 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1l8y n ASN 28 Cb 0.36 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.60 1l8y n ASN 28 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1l8y n ASP 29 N 0.00 0.97 -0.37 6.41 2.03 -1.21 -4.38 116.55 120.00 1l8y n ASP 29 Ca 0.00 -1.77 0.02 0.00 0.52 0.00 0.00 54.79 53.56 1l8y n ASP 29 Cb 0.00 -0.44 0.08 0.00 -0.72 0.00 0.00 41.12 40.03 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 0.08 -0.18 -0.36 -0.67 0.00 -1.26 0.19 116.66 114.46 1l8y n ARG 30 Ca 0.00 1.52 0.29 0.00 -0.00 0.00 0.00 57.85 59.66 1l8y n ARG 30 Cb 0.23 -2.26 0.58 0.00 0.00 0.00 0.00 32.46 31.01 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 0.39 0.01 5.15 2.07 -1.98 0.81 116.25 122.71 1l8y h VAL 31 Ca 0.39 -0.09 -0.30 0.00 0.82 0.00 0.00 66.70 67.53 1l8y h VAL 31 Cb 0.64 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 1l8y h VAL 31 CO -0.99 0.05 -1.72 0.29 0.02 0.00 0.00 177.57 175.21 1l8y n LYS 32 N -4.58 0.64 -0.11 1.57 5.02 0.51 -4.02 118.16 117.19 1l8y n LYS 32 Ca 0.29 0.30 -0.05 0.00 -2.02 0.00 0.00 58.31 56.83 1l8y n LYS 32 Cb 1.09 -1.79 0.14 0.00 -0.02 0.00 0.00 35.03 34.45 1l8y n LYS 32 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1l8y h ALA 33 N 0.92 1.04 0.40 7.82 0.00 0.66 0.14 119.26 130.23 1l8y h ALA 33 Ca -0.29 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 1l8y h ALA 33 Cb 2.01 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1l8y h ALA 33 CO 0.08 0.59 -0.19 1.25 0.00 0.00 0.00 179.25 180.98 1l8y h LEU 34 N 0.75 -0.45 -0.12 0.00 6.46 0.05 -1.58 115.31 120.41 1l8y h LEU 34 Ca 0.14 0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.81 1l8y h LEU 34 Cb 0.51 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.56 1l8y h LEU 34 CO 0.03 -0.31 -0.31 0.11 -0.62 0.00 0.00 178.44 177.33 1l8y h LYS 35 N -0.55 0.42 -0.43 1.25 1.79 -1.68 0.81 116.57 118.18 1l8y h LYS 35 Ca -0.05 -0.29 0.12 0.00 -2.18 0.00 0.00 60.65 58.25 1l8y h LYS 35 Cb 0.42 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.10 1l8y h LYS 35 CO 0.09 0.91 0.45 0.00 -1.08 0.00 0.00 179.45 179.82 1l8y h ALA 36 N 0.51 2.15 0.02 3.86 0.00 -0.74 0.76 119.26 125.82 1l8y h ALA 36 Ca -0.01 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.52 1l8y h ALA 36 Cb 0.93 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1l8y h ALA 36 CO 0.07 -0.67 -2.05 -0.12 0.00 0.00 0.00 179.25 176.48 1l8y n MET 37 N -3.74 0.61 0.17 0.00 0.00 -0.60 -3.64 117.12 109.92 1l8y n MET 37 Ca 0.08 0.35 0.05 0.00 -0.00 0.00 0.00 57.70 58.18 1l8y n MET 37 Cb 0.63 -1.61 0.50 0.00 0.00 0.00 0.00 33.22 32.74 1l8y n MET 37 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 1l8y h GLU 38 N -0.72 0.15 0.00 2.12 4.57 0.15 -1.35 114.58 119.50 1l8y h GLU 38 Ca -0.54 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 57.54 1l8y h GLU 38 Cb 1.61 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 30.16 1l8y h GLU 38 CO -0.24 0.21 -0.39 0.52 -1.18 0.00 0.00 179.01 177.93 1l8y h MET 39 N 0.15 0.00 0.00 1.92 2.86 0.31 -2.57 114.93 117.60 1l8y h MET 39 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1l8y h MET 39 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1l8y h MET 39 CO 0.01 0.39 -0.37 1.15 1.06 0.00 0.00 176.91 179.15 1l8y h THR 40 N 0.00 0.00 0.00 2.22 2.02 -1.34 -3.04 112.91 112.77 1l8y h THR 40 Ca -0.00 -0.54 -0.42 0.00 0.77 0.00 0.00 66.41 66.21 1l8y h THR 40 Cb 1.25 1.30 -0.07 0.00 -1.74 0.00 0.00 68.15 68.89 1l8y h THR 40 CO 0.05 0.00 -2.48 1.87 0.37 0.00 0.00 175.52 175.33 1l8y n TRP 41 N -2.26 0.05 0.03 3.16 -0.00 -0.83 -4.46 117.44 113.13 1l8y n TRP 41 Ca 0.04 0.01 -0.19 0.00 -0.00 0.00 0.00 57.50 57.36 1l8y n TRP 41 Cb 0.45 -1.01 -0.11 0.00 -0.00 0.00 0.00 31.31 30.64 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 -0.50 0.71 -0.62 5.87 2.35 -1.63 -3.15 115.58 118.61 1l8y h ASN 42 Ca -0.63 -0.76 0.18 0.00 -0.55 0.00 0.00 56.30 54.54 1l8y h ASN 42 Cb 1.76 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 39.88 1l8y h ASN 42 CO -0.25 1.38 0.58 -0.55 -1.65 0.00 0.00 177.43 176.94 1l8y h ASN 43 N 0.12 0.00 0.00 5.81 -0.00 -1.74 -3.32 115.58 116.45 1l8y h ASN 43 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.19 1l8y h ASN 43 Cb 1.52 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.84 1l8y h ASN 43 CO 0.16 0.00 0.00 0.80 -0.00 0.00 0.00 177.43 178.39 1l8y n MET 44 N -3.84 0.00 -4.00 4.14 1.56 -1.19 -5.10 117.12 108.68 1l8y n MET 44 Ca 0.12 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.55 1l8y n MET 44 Cb 0.81 0.00 0.00 0.00 2.15 0.00 0.00 33.22 36.18 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 0.00 -0.36 -0.25 2.12 1.02 -1.23 -4.92 120.64 117.02 1l8y n GLU 45 Ca 0.00 0.00 0.32 0.00 -0.02 0.00 0.00 57.16 57.46 1l8y n GLU 45 Cb 0.00 0.00 0.67 0.00 -0.02 0.00 0.00 31.44 32.09 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 0.00 -0.82 3.49 3.11 -1.95 0.44 116.57 120.83 1l8y h LYS 46 Ca 0.00 0.00 0.06 0.00 -2.81 0.00 0.00 60.65 57.90 1l8y h LYS 46 Cb 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 31.17 1l8y h LYS 46 CO 0.00 0.00 0.51 0.87 -2.81 0.00 0.00 179.45 178.02 1l8y h LYS 47 N 0.00 0.90 0.00 1.90 1.57 -1.95 -3.14 116.57 115.85 1l8y h LYS 47 Ca 0.51 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1l8y h LYS 47 Cb 2.42 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 34.52 1l8y h LYS 47 CO -0.01 0.60 -0.51 0.39 -0.57 0.00 0.00 179.45 179.35 1l8y n GLU 48 N -4.64 0.27 0.00 3.15 -0.58 0.14 -4.29 120.64 114.69 1l8y n GLU 48 Ca 0.11 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.96 1l8y n GLU 48 Cb 0.17 -0.97 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 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 -3.50 0.00 -0.33 3.49 5.02 -0.25 0.45 118.16 123.04 1l8y n LYS 49 Ca -0.07 0.45 0.17 0.00 -2.02 0.00 0.00 58.31 56.83 1l8y n LYS 49 Cb 0.27 -0.83 0.37 0.00 -0.02 0.00 0.00 35.03 34.82 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 0.51 -0.98 -0.35 -0.00 -1.74 0.30 115.31 113.05 1l8y h LEU 50 Ca 0.00 0.15 -0.11 0.00 -0.00 0.00 0.00 57.88 57.93 1l8y h LEU 50 Cb 0.00 0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 40.73 1l8y h LEU 50 CO 0.00 0.02 -0.50 0.24 -0.00 0.00 0.00 178.44 178.20 1l8y h MET 51 N 0.47 0.02 -0.67 1.13 2.86 -1.08 -2.74 114.93 114.92 1l8y h MET 51 Ca 0.63 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 58.22 1l8y h MET 51 Cb 1.23 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.86 1l8y h MET 51 CO -0.52 0.51 0.27 -1.49 1.06 0.00 0.00 176.91 176.75 1l8y h TRP 52 N 0.01 0.99 0.62 -0.22 4.06 0.22 -1.05 115.95 120.58 1l8y h TRP 52 Ca -0.00 -0.06 -0.03 0.00 2.06 0.00 0.00 58.89 60.86 1l8y h TRP 52 Cb 0.89 -0.30 0.00 0.00 -1.00 0.00 0.00 29.16 28.75 1l8y h TRP 52 CO 0.00 0.75 -0.35 0.82 -3.56 0.00 0.00 178.44 176.11 1l8y h ILE 53 N 0.96 0.00 -0.31 1.49 2.04 -1.29 -2.81 117.51 117.59 1l8y h ILE 53 Ca 0.23 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.18 1l8y h ILE 53 Cb 0.18 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 1l8y h ILE 53 CO -0.02 0.00 0.32 0.50 0.00 0.00 0.00 178.15 178.95 1l8y h LYS 54 N -0.90 0.00 0.79 2.37 1.63 -1.34 1.25 116.57 120.36 1l8y h LYS 54 Ca -0.08 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.68 1l8y h LYS 54 Cb 0.70 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.34 1l8y h LYS 54 CO 0.11 0.00 -0.38 -0.22 -3.45 0.00 0.00 179.45 175.51 1l8y h LYS 55 N 0.00 -1.02 0.00 1.90 3.64 -0.93 1.73 116.57 121.90 1l8y h LYS 55 Ca 0.15 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1l8y h LYS 55 Cb 0.78 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1l8y h LYS 55 CO -0.00 -0.66 -0.14 0.00 -2.27 0.00 0.00 179.45 176.38 1l8y h ALA 56 N -1.04 0.92 0.04 5.00 0.00 -1.21 -2.42 119.26 120.55 1l8y h ALA 56 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.57 1l8y h ALA 56 Cb 0.82 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1l8y h ALA 56 CO 0.18 0.00 -1.02 0.00 0.00 0.00 0.00 179.25 178.41 1l8y h ALA 57 N 2.31 0.33 0.00 0.00 0.00 0.17 2.52 119.26 124.59 1l8y h ALA 57 Ca 0.00 -0.77 -0.07 0.00 0.00 0.00 0.00 54.91 54.07 1l8y h ALA 57 Cb 0.85 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1l8y h ALA 57 CO 0.00 0.90 -0.34 1.49 0.00 0.00 0.00 179.25 181.30 1l8y h GLU 58 N 0.14 0.00 0.03 0.00 4.57 0.27 -1.46 114.58 118.13 1l8y h GLU 58 Ca -0.08 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 57.85 1l8y h GLU 58 Cb 1.68 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.25 1l8y h GLU 58 CO 0.17 0.34 -1.25 0.22 -1.18 0.00 0.00 179.01 177.31 1l8y h ASP 59 N 0.00 0.10 -0.07 1.04 1.82 -0.89 -3.26 116.42 115.16 1l8y h ASP 59 Ca -0.00 -0.13 0.02 0.00 -0.39 0.00 0.00 57.03 56.53 1l8y h ASP 59 Cb 0.64 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.62 1l8y h ASP 59 CO 0.04 1.10 0.13 -0.61 -1.61 0.00 0.00 179.24 178.29 1l8y h GLN 60 N 0.02 0.00 -0.60 0.28 4.15 0.54 -0.37 115.11 119.13 1l8y h GLN 60 Ca -0.11 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.29 1l8y h GLN 60 Cb 1.88 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 29.54 1l8y h GLN 60 CO 0.13 0.00 0.30 -0.22 -1.93 0.00 0.00 178.83 177.11 1l8y h LYS 61 N 0.00 0.86 0.00 1.69 1.63 -1.55 -1.38 116.57 117.82 1l8y h LYS 61 Ca 0.03 -0.12 -0.04 0.00 -0.85 0.00 0.00 60.65 59.68 1l8y h LYS 61 Cb 0.29 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 1l8y h LYS 61 CO -0.00 0.68 -0.17 0.00 -3.45 0.00 0.00 179.45 176.52 1l8y h ARG 62 N 0.82 0.00 0.12 1.90 2.47 -1.27 -2.74 114.38 115.68 1l8y h ARG 62 Ca 0.21 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.92 1l8y h ARG 62 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 1l8y h ARG 62 CO -0.03 0.17 -0.06 0.10 0.56 0.00 0.00 179.97 180.71 1l8y h TYR 63 N 0.00 -0.15 -0.40 3.04 -0.00 -1.26 -2.90 116.97 115.30 1l8y h TYR 63 Ca -0.00 -0.00 0.08 0.00 0.00 0.00 0.00 58.73 58.81 1l8y h TYR 63 Cb 0.41 0.05 -0.09 0.00 0.00 0.00 0.00 36.73 37.10 1l8y h TYR 63 CO 0.00 0.29 -0.27 1.49 -0.00 0.00 0.00 178.16 179.66 1l8y h GLU 64 N -0.93 -0.19 0.00 0.10 4.81 -1.22 0.87 114.58 118.01 1l8y h GLU 64 Ca -0.02 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1l8y h GLU 64 Cb 0.50 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1l8y h GLU 64 CO 0.03 -0.13 0.00 0.00 -0.73 0.00 0.00 179.01 178.18 1l8y h ARG 65 N -0.20 0.00 0.09 1.92 -0.00 -1.61 -1.87 114.38 112.71 1l8y h ARG 65 Ca 0.19 0.00 -0.35 0.00 -0.50 0.00 0.00 59.98 59.32 1l8y h ARG 65 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.44 1l8y h ARG 65 CO -0.52 0.00 -1.94 0.39 0.00 0.00 0.00 179.97 177.90 1l8y n GLU 66 N -2.94 0.73 0.00 0.04 4.71 0.24 0.12 120.64 123.53 1l8y n GLU 66 Ca -0.03 0.27 0.00 0.00 -0.01 0.00 0.00 57.16 57.39 1l8y n GLU 66 Cb 0.07 -1.73 0.00 0.00 -1.01 0.00 0.00 31.44 28.78 1l8y n GLU 66 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1l8y n LEU 67 N -3.37 0.23 -0.03 -4.62 7.94 0.24 -2.81 117.00 114.58 1l8y n LEU 67 Ca -0.28 0.72 -0.13 0.00 -1.11 0.00 0.00 56.01 55.20 1l8y n LEU 67 Cb 1.05 -0.33 -0.14 0.00 0.53 0.00 0.00 43.42 44.53 1l8y n LEU 67 CO 0.43 -0.33 -0.72 -0.24 -1.11 0.00 0.00 177.39 175.42 1l8y n SER 68 N -1.49 1.24 0.18 1.96 2.88 -1.02 -1.51 113.62 115.86 1l8y n SER 68 Ca 0.00 0.28 0.07 0.00 -1.33 0.00 0.00 58.87 57.89 1l8y n SER 68 Cb 0.00 -0.23 0.23 0.00 -0.75 0.00 0.00 64.21 63.45 1l8y n SER 68 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1l8y h GLU 69 N 0.02 0.00 0.00 -1.46 4.39 -1.51 0.58 114.58 116.61 1l8y h GLU 69 Ca -0.37 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.21 1l8y h GLU 69 Cb 2.04 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.67 1l8y h GLU 69 CO 0.07 0.33 -0.55 1.98 -1.16 0.00 0.00 179.01 179.68 1l8y h MET 70 N 0.00 0.00 0.00 2.33 4.05 -0.15 -3.32 114.93 117.83 1l8y h MET 70 Ca -0.00 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.37 1l8y h MET 70 Cb 1.07 0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 31.77 1l8y h MET 70 CO 0.04 0.55 -0.57 -2.13 0.23 0.00 0.00 176.91 175.04 1l8y n ARG 71 N -3.39 0.30 -2.65 0.39 0.00 -1.21 -4.91 116.66 105.18 1l8y n ARG 71 Ca 0.01 -1.65 -0.02 0.00 -0.00 0.00 0.00 57.85 56.19 1l8y n ARG 71 Cb 0.68 -0.60 0.06 0.00 0.00 0.00 0.00 32.46 32.61 1l8y n ARG 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1l8y n ALA 72 N -0.16 -3.31 0.15 5.13 0.00 0.20 -5.00 120.51 117.53 1l8y n ALA 72 Ca 0.05 -0.25 -0.14 0.00 0.00 0.00 0.00 53.44 53.10 1l8y n ALA 72 Cb 0.81 -2.57 -0.07 0.00 0.00 0.00 0.00 19.45 17.61 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 1.65 -0.32 -1.00 0.00 0.11 -1.62 -2.88 132.00 127.93 1l8y h PRO 73 Ca -0.46 0.02 -0.53 0.00 0.11 0.00 0.00 66.00 65.14 1l8y h PRO 73 Cb 1.24 0.07 -0.30 0.00 0.11 0.00 0.00 31.00 32.12 1l8y h PRO 73 CO -0.10 -0.22 0.68 -0.35 -0.21 0.00 0.00 178.00 177.80 1l8y n PRO 74 N -5.25 2.29 -3.04 1.05 -0.04 -1.26 -4.56 135.00 124.19 1l8y n PRO 74 Ca -0.09 -2.99 -0.16 0.00 -0.04 0.00 0.00 63.50 60.22 1l8y n PRO 74 Cb 0.17 -2.17 -0.00 0.00 -0.04 0.00 0.00 33.50 31.45 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 -1.09 1.09 -1.69 0.55 0.00 -1.09 -4.78 120.51 113.51 1l8y n ALA 75 Ca 0.59 -2.74 0.04 0.00 0.00 0.00 0.00 53.44 51.33 1l8y n ALA 75 Cb 1.52 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 20.02 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 0.75 2.13 0.00 0.00 0.00 -1.26 -4.83 120.51 117.31 1l8y n ALA 76 Ca 0.18 -1.64 0.00 0.00 0.00 0.00 0.00 53.44 51.98 1l8y n ALA 76 Cb 0.63 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.49 0.00 -1.56 0.00 -2.24 -1.26 -5.01 114.28 103.72 1l8y n THR 77 Ca 0.06 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.44 1l8y n THR 77 Cb 0.69 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.91 1l8y n THR 77 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1l8y n ASN 78 N 0.00 7.80 -1.13 3.42 2.85 -1.26 -4.14 115.26 122.80 1l8y n ASN 78 Ca 0.00 -2.75 0.03 0.00 -0.11 0.00 0.00 54.58 51.75 1l8y n ASN 78 Cb 0.00 -1.53 0.02 0.00 1.24 0.00 0.00 39.78 39.51 1l8y n ASN 78 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1l8y n SER 79 N 3.54 0.72 -3.62 1.20 7.64 -1.26 -4.85 113.62 116.98 1l8y n SER 79 Ca 0.70 -2.07 -0.26 0.00 1.01 0.00 0.00 58.87 58.25 1l8y n SER 79 Cb 0.26 -0.28 0.06 0.00 -1.01 0.00 0.00 64.21 63.24 1l8y n SER 79 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1l8y n SER 80 N 0.26 -5.85 -4.64 6.43 7.64 -1.26 -4.86 113.62 111.34 1l8y n SER 80 Ca 0.05 -0.58 -0.44 0.00 1.01 0.00 0.00 58.87 58.91 1l8y n SER 80 Cb 0.98 -4.63 -0.03 0.00 -1.01 0.00 0.00 64.21 59.51 1l8y n SER 80 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1l8y n LYS 81 N -4.78 2.49 -1.03 1.43 5.02 -1.26 -4.86 118.16 115.17 1l8y n LYS 81 Ca 0.01 0.86 -0.13 0.00 -2.02 0.00 0.00 58.31 57.03 1l8y n LYS 81 Cb 0.56 -3.00 0.18 0.00 -0.02 0.00 0.00 35.03 32.74 1l8y n LYS 81 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1l8y n LYS 82 N 7.75 2.09 -3.65 1.97 2.85 -1.26 -4.91 118.16 122.99 1l8y n LYS 82 Ca 0.24 -3.20 -0.05 0.00 -1.05 0.00 0.00 58.31 54.25 1l8y n LYS 82 Cb 0.40 -1.97 -0.07 0.00 -0.65 0.00 0.00 35.03 32.73 1l8y n LYS 82 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1l8y s LEU 83 N -3.32 -0.87 0.00 -5.58 2.96 -1.26 -5.33 118.68 105.28 1l8y s LEU 83 Ca 0.50 1.29 0.00 0.00 -0.22 0.00 0.00 54.13 55.70 1l8y s LEU 83 Cb 0.44 1.85 0.00 0.00 0.50 0.00 0.00 46.19 48.97 1l8y s LEU 83 CO 0.03 -0.23 0.09 1.21 -1.32 0.00 0.00 176.35 176.14