#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 1.59 -2.93 1.61 4.76 -0.41 -4.92 118.16 117.86 1l8y n LYS 2 Ca 0.00 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 1l8y n LYS 2 Cb 0.00 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.23 1l8y n LYS 2 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1l8y n LEU 3 N 0.00 -0.96 0.00 -0.35 4.32 -1.26 -4.82 117.00 113.93 1l8y n LEU 3 Ca 0.00 -4.27 0.00 0.00 -0.02 0.00 0.00 56.01 51.72 1l8y n LEU 3 Cb 0.00 0.84 0.00 0.00 -1.62 0.00 0.00 43.42 42.64 1l8y n LEU 3 CO 0.00 2.17 0.00 -0.81 -1.22 0.00 0.00 177.39 177.53 1l8y n PRO 4 N 0.32 0.00 0.00 3.23 -0.04 -1.26 -5.01 135.00 132.24 1l8y n PRO 4 Ca 0.14 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 1l8y n PRO 4 Cb 0.68 -0.61 0.00 0.00 -0.04 0.00 0.00 33.50 33.53 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 -1.34 0.00 -2.19 0.54 2.13 -1.26 -5.11 120.64 113.41 1l8y n GLU 5 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 1l8y n GLU 5 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1l8y n GLU 5 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1l8y n SER 6 N -2.36 -4.81 -3.05 4.31 7.64 -1.26 -5.04 113.62 109.04 1l8y n SER 6 Ca 0.00 0.12 -0.04 0.00 1.01 0.00 0.00 58.87 59.96 1l8y n SER 6 Cb 0.00 -3.09 0.04 0.00 -1.01 0.00 0.00 64.21 60.15 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 -0.86 -1.48 -1.93 1.43 -0.02 -1.26 -5.01 135.00 125.87 1l8y n PRO 7 Ca 0.03 -0.18 -0.02 0.00 -2.02 0.00 0.00 63.50 61.31 1l8y n PRO 7 Cb 0.35 -0.27 0.03 0.00 -0.02 0.00 0.00 33.50 33.59 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 -1.93 0.72 0.00 -0.52 3.00 -1.19 -4.98 118.16 113.26 1l8y n LYS 8 Ca 0.02 -1.73 0.00 0.00 -0.00 0.00 0.00 58.31 56.60 1l8y n LYS 8 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 35.03 35.09 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 -0.46 0.00 0.00 1.64 5.12 0.23 -3.40 116.66 119.79 1l8y n ARG 9 Ca -0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 1l8y n ARG 9 Cb 0.86 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.16 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 5.37 0.00 0.25 7.54 0.00 -0.86 -2.67 120.51 130.14 1l8y n ALA 10 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1l8y n ALA 10 Cb 0.00 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.13 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 0.01 0.00 3.07 -1.66 -2.50 114.58 113.50 1l8y h GLU 11 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1l8y h GLU 11 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1l8y h GLU 11 CO 0.00 0.00 -0.00 1.49 -1.40 0.00 0.00 179.01 179.10 1l8y h GLU 12 N 0.00 -0.01 -0.30 2.33 4.57 0.66 -2.45 114.58 119.38 1l8y h GLU 12 Ca 0.07 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.32 1l8y h GLU 12 Cb 1.04 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.56 1l8y h GLU 12 CO -0.00 -0.01 -0.24 0.97 -1.18 0.00 0.00 179.01 178.55 1l8y h ILE 13 N -0.24 0.38 -0.01 2.32 6.09 0.16 -2.73 117.51 123.47 1l8y h ILE 13 Ca -0.00 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.46 1l8y h ILE 13 Cb 0.01 0.38 0.00 0.00 0.47 0.00 0.00 36.82 37.68 1l8y h ILE 13 CO 0.00 0.00 -0.09 -0.25 -3.07 0.00 0.00 178.15 174.74 1l8y h TRP 14 N -0.22 0.12 0.02 2.19 7.01 -1.65 -2.46 115.95 120.95 1l8y h TRP 14 Ca 0.16 -0.06 0.01 0.00 2.11 0.00 0.00 58.89 61.11 1l8y h TRP 14 Cb 0.46 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.48 1l8y h TRP 14 CO -0.42 0.78 -0.22 0.37 -2.79 0.00 0.00 178.44 176.16 1l8y h GLN 15 N -0.57 -0.27 -0.90 2.65 4.15 -1.41 0.27 115.11 119.02 1l8y h GLN 15 Ca -0.01 0.02 0.23 0.00 0.77 0.00 0.00 58.65 59.66 1l8y h GLN 15 Cb 0.79 0.06 -0.06 0.00 0.21 0.00 0.00 27.48 28.49 1l8y h GLN 15 CO 0.02 -0.18 0.62 1.96 -1.93 0.00 0.00 178.83 179.32 1l8y h GLN 16 N -0.28 0.22 -0.25 1.69 1.08 -1.64 1.42 115.11 117.34 1l8y h GLN 16 Ca 0.00 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1l8y h GLN 16 Cb 0.30 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1l8y h GLN 16 CO -0.13 0.14 0.08 0.77 -0.95 0.00 0.00 178.83 178.74 1l8y h SER 17 N 0.22 0.36 0.00 1.46 0.02 -0.40 -3.36 113.55 111.85 1l8y h SER 17 Ca 0.46 -0.20 -0.33 0.00 -0.84 0.00 0.00 61.79 60.88 1l8y h SER 17 Cb 1.43 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.82 1l8y h SER 17 CO -0.11 0.46 -2.14 1.33 -1.14 0.00 0.00 176.83 175.23 1l8y n VAL 18 N -4.75 1.13 -0.36 2.27 0.24 0.71 -4.58 118.33 112.97 1l8y n VAL 18 Ca -0.03 -0.34 0.30 0.00 -2.04 0.00 0.00 64.34 62.24 1l8y n VAL 18 Cb 0.15 -1.56 0.51 0.00 -1.47 0.00 0.00 33.84 31.47 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 -3.61 -0.17 -0.10 1.34 3.06 0.47 0.25 119.36 120.60 1l8y n ILE 19 Ca -0.38 1.31 -0.01 0.00 -2.50 0.00 0.00 62.75 61.16 1l8y n ILE 19 Cb 0.82 -2.14 0.25 0.00 0.54 0.00 0.00 39.64 39.10 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 0.80 0.98 4.50 0.00 -1.71 0.96 103.07 108.59 1l8y h GLY 20 Ca 0.65 -0.42 -0.18 0.00 0.00 0.00 0.00 47.33 47.38 1l8y h GLY 20 CO -0.31 0.40 -1.45 1.34 0.00 0.00 0.00 176.54 176.51 1l8y n ASP 21 N -4.32 0.86 0.09 0.19 2.03 0.69 -2.74 116.55 113.35 1l8y n ASP 21 Ca 0.04 0.38 -0.16 0.00 0.52 0.00 0.00 54.79 55.56 1l8y n ASP 21 Cb 0.18 0.15 -0.10 0.00 -0.72 0.00 0.00 41.12 40.63 1l8y n ASP 21 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 1l8y h TYR 22 N 0.00 0.66 0.00 -0.67 0.05 -0.75 -2.60 116.97 113.65 1l8y h TYR 22 Ca -0.18 -0.42 -0.10 0.00 0.05 0.00 0.00 58.73 58.09 1l8y h TYR 22 Cb 1.63 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 39.31 1l8y h TYR 22 CO 0.00 1.27 -0.46 -0.07 -1.05 0.00 0.00 178.16 177.86 1l8y h LEU 23 N 0.18 0.00 -0.06 3.88 3.38 0.82 -3.29 115.31 120.21 1l8y h LEU 23 Ca -0.13 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1l8y h LEU 23 Cb 1.81 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.56 1l8y h LEU 23 CO 0.20 0.46 -0.10 0.00 0.09 0.00 0.00 178.44 179.08 1l8y h ALA 24 N 1.54 0.10 -0.92 1.53 0.00 -1.47 0.10 119.26 120.14 1l8y h ALA 24 Ca -0.00 -0.32 0.19 0.00 0.00 0.00 0.00 54.91 54.78 1l8y h ALA 24 Cb 1.17 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 18.77 1l8y h ALA 24 CO 0.06 -0.05 -0.21 0.07 0.00 0.00 0.00 179.25 179.12 1l8y h ARG 25 N -0.30 0.00 0.00 0.00 0.11 -1.53 -1.99 114.38 110.67 1l8y h ARG 25 Ca 0.01 -0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.88 1l8y h ARG 25 Cb 0.66 -0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.70 1l8y h ARG 25 CO 0.02 0.00 -2.16 0.34 0.10 0.00 0.00 179.97 178.27 1l8y n PHE 26 N -5.58 0.07 -1.64 4.08 -0.00 -1.25 -5.04 117.46 108.09 1l8y n PHE 26 Ca 0.15 0.02 -0.00 0.00 -0.00 0.00 0.00 57.45 57.62 1l8y n PHE 26 Cb 0.48 -0.81 0.00 0.00 -0.00 0.00 0.00 39.48 39.15 1l8y n PHE 26 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 1l8y n LYS 27 N -2.56 -0.14 -0.91 -4.13 0.00 0.27 -4.67 118.16 106.01 1l8y n LYS 27 Ca -0.20 0.60 0.00 0.00 0.00 0.00 0.00 58.31 58.72 1l8y n LYS 27 Cb 0.90 -1.90 0.00 0.00 0.00 0.00 0.00 35.03 34.03 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 -0.98 -0.68 -0.74 3.14 2.85 -0.72 -5.01 115.26 113.12 1l8y n ASN 28 Ca 0.00 0.00 0.05 0.00 -0.11 0.00 0.00 54.58 54.52 1l8y n ASN 28 Cb 0.43 -0.19 0.11 0.00 1.24 0.00 0.00 39.78 41.37 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 0.61 1.35 0.00 1.20 -0.08 -1.26 -4.92 116.55 113.45 1l8y n ASP 29 Ca 0.00 -2.89 0.00 0.00 -1.51 0.00 0.00 54.79 50.39 1l8y n ASP 29 Cb 0.19 -0.39 0.00 0.00 2.34 0.00 0.00 41.12 43.26 1l8y n ASP 29 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1l8y n ARG 30 N -0.53 0.00 -0.17 -0.67 -4.01 -1.26 -1.19 116.66 108.83 1l8y n ARG 30 Ca 0.12 0.00 0.17 0.00 -1.04 0.00 0.00 57.85 57.10 1l8y n ARG 30 Cb 0.81 0.00 0.31 0.00 -3.04 0.00 0.00 32.46 30.55 1l8y n ARG 30 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 1l8y n VAL 31 N -2.91 -0.21 -0.01 8.89 0.31 -1.26 0.41 118.33 123.54 1l8y n VAL 31 Ca 0.00 1.04 -0.10 0.00 -0.01 0.00 0.00 64.34 65.27 1l8y n VAL 31 Cb 0.00 -1.69 -0.04 0.00 -0.91 0.00 0.00 33.84 31.20 1l8y n VAL 31 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1l8y h LYS 32 N 0.00 0.12 -0.33 5.55 1.57 -1.47 -1.80 116.57 120.20 1l8y h LYS 32 Ca 0.44 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.18 1l8y h LYS 32 Cb 1.20 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 1l8y h LYS 32 CO -0.38 0.08 0.07 0.00 -0.57 0.00 0.00 179.45 178.65 1l8y h ALA 33 N 1.07 1.50 -0.91 3.86 0.00 0.78 0.12 119.26 125.69 1l8y h ALA 33 Ca 0.05 -0.14 0.25 0.00 0.00 0.00 0.00 54.91 55.07 1l8y h ALA 33 Cb 0.02 -0.14 -0.14 0.00 0.00 0.00 0.00 17.79 17.53 1l8y h ALA 33 CO -0.05 0.37 0.32 1.25 0.00 0.00 0.00 179.25 181.14 1l8y h LEU 34 N 0.48 0.14 0.00 0.00 6.46 -0.33 0.64 115.31 122.70 1l8y h LEU 34 Ca 0.11 0.19 -0.44 0.00 -0.12 0.00 0.00 57.88 57.63 1l8y h LEU 34 Cb 0.20 0.23 -0.07 0.00 -0.73 0.00 0.00 40.66 40.29 1l8y h LEU 34 CO -0.00 -0.13 -2.51 0.29 -0.62 0.00 0.00 178.44 175.46 1l8y n LYS 35 N -5.17 0.60 -0.09 1.25 4.76 -1.04 -2.29 118.16 116.19 1l8y n LYS 35 Ca 0.23 0.22 0.26 0.00 -2.87 0.00 0.00 58.31 56.15 1l8y n LYS 35 Cb 0.74 -1.49 0.71 0.00 -1.84 0.00 0.00 35.03 33.15 1l8y n LYS 35 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1l8y h ALA 36 N -0.64 2.59 0.00 7.82 0.00 -0.62 0.95 119.26 129.37 1l8y h ALA 36 Ca -0.66 -0.03 -0.34 0.00 0.00 0.00 0.00 54.91 53.89 1l8y h ALA 36 Cb 1.71 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.50 1l8y h ALA 36 CO -0.31 -1.01 -1.86 -0.12 0.00 0.00 0.00 179.25 175.96 1l8y n MET 37 N -3.96 0.58 0.29 0.00 0.00 0.22 -3.62 117.12 110.63 1l8y n MET 37 Ca 0.15 0.43 -0.16 0.00 -0.00 0.00 0.00 57.70 58.12 1l8y n MET 37 Cb 0.89 -1.63 -0.08 0.00 0.00 0.00 0.00 33.22 32.40 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 -0.94 -0.68 -0.38 2.12 4.81 -0.87 -2.39 114.58 116.26 1l8y h GLU 38 Ca -0.51 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 58.82 1l8y h GLU 38 Cb 1.48 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.97 1l8y h GLU 38 CO -0.29 -0.41 0.12 0.52 -0.73 0.00 0.00 179.01 178.23 1l8y h MET 39 N -0.83 0.26 -0.14 1.92 2.86 0.68 0.13 114.93 119.81 1l8y h MET 39 Ca -0.07 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1l8y h MET 39 Cb 0.59 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1l8y h MET 39 CO 0.12 0.17 0.17 1.15 1.06 0.00 0.00 176.91 179.59 1l8y h THR 40 N 0.27 0.42 0.09 2.22 2.02 -1.59 0.88 112.91 117.22 1l8y h THR 40 Ca 0.17 0.00 -0.33 0.00 0.77 0.00 0.00 66.41 67.03 1l8y h THR 40 Cb 0.16 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1l8y h THR 40 CO -0.19 0.00 -1.79 1.87 0.37 0.00 0.00 175.52 175.79 1l8y n TRP 41 N -3.71 1.18 0.09 3.16 -0.00 -0.33 -4.06 117.44 113.76 1l8y n TRP 41 Ca 0.01 0.32 -0.22 0.00 -0.00 0.00 0.00 57.50 57.60 1l8y n TRP 41 Cb 0.28 -1.14 -0.13 0.00 -0.00 0.00 0.00 31.31 30.32 1l8y n TRP 41 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 177.69 176.72 1l8y h ASN 42 N -0.26 0.89 -0.01 5.87 -0.73 -0.28 -3.19 115.58 117.88 1l8y h ASN 42 Ca -0.41 -0.81 0.00 0.00 1.87 0.00 0.00 56.30 56.96 1l8y h ASN 42 Cb 1.82 -0.28 -0.00 0.00 0.27 0.00 0.00 38.32 40.12 1l8y h ASN 42 CO -0.01 1.61 0.03 -0.55 -0.37 0.00 0.00 177.43 178.14 1l8y h ASN 43 N 0.30 0.00 0.25 1.15 -0.00 0.56 0.59 115.58 118.43 1l8y h ASN 43 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.12 1l8y h ASN 43 Cb 1.89 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 40.21 1l8y h ASN 43 CO 0.24 0.00 -0.43 0.80 -0.00 0.00 0.00 177.43 178.03 1l8y n MET 44 N -3.44 0.57 0.00 4.14 1.56 -1.21 -5.06 117.12 113.68 1l8y n MET 44 Ca -0.03 -0.37 0.00 0.00 -0.27 0.00 0.00 57.70 57.03 1l8y n MET 44 Cb 0.10 -1.49 0.00 0.00 2.15 0.00 0.00 33.22 33.98 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 -0.89 0.00 0.24 2.12 2.13 0.20 -3.04 120.64 121.40 1l8y n GLU 45 Ca 0.09 0.00 0.11 0.00 0.66 0.00 0.00 57.16 58.03 1l8y n GLU 45 Cb 0.36 0.00 0.44 0.00 0.27 0.00 0.00 31.44 32.51 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 0.00 5.31 3.64 -1.88 -2.85 116.57 120.79 1l8y h LYS 46 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1l8y h LYS 46 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1l8y h LYS 46 CO 0.00 0.00 0.00 1.17 -2.27 0.00 0.00 179.45 178.35 1l8y n LYS 47 N -2.87 0.00 0.16 1.90 0.00 -1.17 -2.97 118.16 113.21 1l8y n LYS 47 Ca 0.03 0.40 -0.07 0.00 0.00 0.00 0.00 58.31 58.68 1l8y n LYS 47 Cb 0.79 -1.37 -0.03 0.00 0.00 0.00 0.00 35.03 34.42 1l8y n LYS 47 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1l8y h GLU 48 N 0.00 -0.41 0.00 1.64 4.39 -1.66 -3.01 114.58 115.53 1l8y h GLU 48 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1l8y h GLU 48 Cb 0.00 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1l8y h GLU 48 CO 0.00 -0.27 0.00 1.63 -1.16 0.00 0.00 179.01 179.21 1l8y n LYS 49 N -3.30 0.00 -0.30 2.33 5.02 -1.11 0.59 118.16 121.39 1l8y n LYS 49 Ca -0.05 0.45 0.10 0.00 -2.02 0.00 0.00 58.31 56.79 1l8y n LYS 49 Cb 0.17 -0.75 0.26 0.00 -0.02 0.00 0.00 35.03 34.69 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 0.45 -0.92 -0.35 -0.00 -1.69 -1.05 115.31 111.76 1l8y h LEU 50 Ca 0.00 0.12 -0.10 0.00 -0.00 0.00 0.00 57.88 57.90 1l8y h LEU 50 Cb 0.00 0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 40.71 1l8y h LEU 50 CO 0.00 0.13 -0.48 0.24 -0.00 0.00 0.00 178.44 178.33 1l8y h MET 51 N 0.53 0.00 -0.55 1.13 2.86 -0.64 -2.87 114.93 115.40 1l8y h MET 51 Ca 0.51 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 58.09 1l8y h MET 51 Cb 0.84 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.47 1l8y h MET 51 CO -0.43 0.48 0.10 -1.49 1.06 0.00 0.00 176.91 176.63 1l8y h TRP 52 N 0.00 0.89 0.46 -0.22 4.06 0.15 -2.36 115.95 118.94 1l8y h TRP 52 Ca -0.00 -0.10 -0.02 0.00 2.06 0.00 0.00 58.89 60.83 1l8y h TRP 52 Cb 0.95 -0.26 -0.00 0.00 -1.00 0.00 0.00 29.16 28.85 1l8y h TRP 52 CO 0.00 0.77 -0.28 0.82 -3.56 0.00 0.00 178.44 176.18 1l8y h ILE 53 N 0.82 0.00 -0.84 1.49 2.04 -1.28 -2.83 117.51 116.91 1l8y h ILE 53 Ca 0.17 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.28 1l8y h ILE 53 Cb 0.35 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 1l8y h ILE 53 CO 0.00 0.00 0.64 0.50 0.00 0.00 0.00 178.15 179.29 1l8y h LYS 54 N -0.69 0.00 0.22 2.37 3.64 -1.44 2.31 116.57 122.98 1l8y h LYS 54 Ca -0.06 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1l8y h LYS 54 Cb 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1l8y h LYS 54 CO 0.06 0.00 -0.10 -0.22 -2.27 0.00 0.00 179.45 176.92 1l8y h LYS 55 N 0.00 -0.28 0.00 1.90 3.64 -1.17 1.68 116.57 122.34 1l8y h LYS 55 Ca 0.40 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1l8y h LYS 55 Cb 1.67 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.55 1l8y h LYS 55 CO -0.00 -0.13 -0.53 0.00 -2.27 0.00 0.00 179.45 176.52 1l8y h ALA 56 N 0.41 0.66 0.05 5.00 0.00 -1.04 -2.63 119.26 121.70 1l8y h ALA 56 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.64 1l8y h ALA 56 Cb 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1l8y h ALA 56 CO 0.05 0.00 -1.04 0.00 0.00 0.00 0.00 179.25 178.26 1l8y h ALA 57 N 2.43 0.30 -0.07 0.00 0.00 0.41 2.75 119.26 125.08 1l8y h ALA 57 Ca 0.00 -0.78 -0.12 0.00 0.00 0.00 0.00 54.91 54.00 1l8y h ALA 57 Cb 0.78 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1l8y h ALA 57 CO 0.00 0.90 -0.52 1.49 0.00 0.00 0.00 179.25 181.13 1l8y h GLU 58 N 0.14 0.19 0.06 0.00 4.81 0.25 -2.33 114.58 117.70 1l8y h GLU 58 Ca -0.09 -0.11 -0.24 0.00 -0.13 0.00 0.00 59.36 58.79 1l8y h GLU 58 Cb 1.71 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.09 1l8y h GLU 58 CO 0.17 0.67 -1.08 -0.44 -0.73 0.00 0.00 179.01 177.60 1l8y h ASP 59 N 0.15 0.24 -0.03 1.04 3.32 -1.11 -3.17 116.42 116.86 1l8y h ASP 59 Ca 0.00 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 56.82 1l8y h ASP 59 Cb 0.97 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.44 1l8y h ASP 59 CO 0.08 1.16 0.10 -0.61 -1.72 0.00 0.00 179.24 178.25 1l8y h GLN 60 N 0.06 0.00 -0.42 3.56 -0.00 0.54 -0.63 115.11 118.22 1l8y h GLN 60 Ca -0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.53 1l8y h GLN 60 Cb 1.80 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 29.27 1l8y h GLN 60 CO 0.16 0.00 0.06 -0.22 0.00 0.00 0.00 178.83 178.84 1l8y h LYS 61 N 0.00 0.71 -0.02 1.69 1.63 -1.48 -2.81 116.57 116.29 1l8y h LYS 61 Ca 0.02 -0.19 0.02 0.00 -0.85 0.00 0.00 60.65 59.64 1l8y h LYS 61 Cb 0.22 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 1l8y h LYS 61 CO -0.00 0.75 -0.09 -0.09 -3.45 0.00 0.00 179.45 176.57 1l8y h ARG 62 N 0.56 -0.14 -0.69 1.90 9.65 -1.29 -2.52 114.38 121.86 1l8y h ARG 62 Ca 0.13 0.01 0.14 0.00 -1.10 0.00 0.00 59.98 59.15 1l8y h ARG 62 Cb 0.39 0.03 -0.10 0.00 -1.39 0.00 0.00 29.97 28.90 1l8y h ARG 62 CO 0.01 -0.09 0.19 0.10 2.80 0.00 0.00 179.97 182.98 1l8y h TYR 63 N -0.14 0.31 -0.37 2.20 -0.00 -1.52 -1.06 116.97 116.38 1l8y h TYR 63 Ca 0.04 0.04 0.07 0.00 0.00 0.00 0.00 58.73 58.88 1l8y h TYR 63 Cb 0.19 -0.03 -0.09 0.00 0.00 0.00 0.00 36.73 36.80 1l8y h TYR 63 CO -0.16 -0.03 -0.38 1.49 -0.00 0.00 0.00 178.16 179.09 1l8y h GLU 64 N 0.31 -0.30 0.00 0.10 4.81 -1.19 1.08 114.58 119.39 1l8y h GLU 64 Ca 0.38 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1l8y h GLU 64 Cb 0.60 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1l8y h GLU 64 CO -0.44 -0.20 0.00 0.54 -0.73 0.00 0.00 179.01 178.18 1l8y n ARG 65 N -5.42 0.73 -0.13 1.92 3.00 -0.70 -1.52 116.66 114.55 1l8y n ARG 65 Ca -0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.85 57.67 1l8y n ARG 65 Cb 0.35 -1.45 -0.12 0.00 0.00 0.00 0.00 32.46 31.23 1l8y n ARG 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1l8y n GLU 66 N -0.95 0.65 0.00 5.56 4.71 0.26 -4.10 120.64 126.76 1l8y n GLU 66 Ca 0.16 0.14 0.00 0.00 -0.01 0.00 0.00 57.16 57.45 1l8y n GLU 66 Cb 0.07 -1.51 0.00 0.00 -1.01 0.00 0.00 31.44 28.99 1l8y n GLU 66 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1l8y n LEU 67 N -3.21 0.17 -0.35 -4.62 4.32 0.30 -4.04 117.00 109.57 1l8y n LEU 67 Ca -0.44 0.24 0.16 0.00 -0.02 0.00 0.00 56.01 55.95 1l8y n LEU 67 Cb 0.99 -0.45 0.36 0.00 -1.62 0.00 0.00 43.42 42.71 1l8y n LEU 67 CO 0.27 -0.45 1.16 -1.28 -1.22 0.00 0.00 177.39 175.87 1l8y h SER 68 N 0.00 0.69 -0.65 -1.43 0.87 -1.47 1.66 113.55 113.22 1l8y h SER 68 Ca 0.00 0.13 0.19 0.00 -1.23 0.00 0.00 61.79 60.87 1l8y h SER 68 Cb 0.00 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 1l8y h SER 68 CO 0.00 0.15 0.58 1.05 -0.53 0.00 0.00 176.83 178.08 1l8y h GLU 69 N 0.63 0.00 -0.04 2.24 4.11 -1.70 1.32 114.58 121.13 1l8y h GLU 69 Ca 0.62 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.05 1l8y h GLU 69 Cb 1.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1l8y h GLU 69 CO -0.45 0.00 -0.03 1.98 0.07 0.00 0.00 179.01 180.58 1l8y h MET 70 N 0.00 -0.01 0.00 1.06 4.05 0.23 -3.34 114.93 116.92 1l8y h MET 70 Ca 0.31 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.73 1l8y h MET 70 Cb 1.47 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.27 1l8y h MET 70 CO -0.00 -0.00 -0.14 0.54 0.23 0.00 0.00 176.91 177.53 1l8y n ARG 71 N -3.05 0.72 -4.17 0.39 1.74 -1.02 -5.02 116.66 106.25 1l8y n ARG 71 Ca 0.00 -1.09 -0.32 0.00 -0.77 0.00 0.00 57.85 55.67 1l8y n ARG 71 Cb 0.01 -0.72 -0.07 0.00 -1.02 0.00 0.00 32.46 30.67 1l8y n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1l8y n ALA 72 N -0.27 -2.06 0.02 7.54 0.00 0.45 -4.85 120.51 121.33 1l8y n ALA 72 Ca 0.02 -0.43 -0.11 0.00 0.00 0.00 0.00 53.44 52.92 1l8y n ALA 72 Cb 0.53 -1.09 -0.05 0.00 0.00 0.00 0.00 19.45 18.84 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 -1.75 -0.03 -1.00 0.00 0.11 -1.95 -2.58 132.00 124.80 1l8y h PRO 73 Ca -0.63 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.05 1l8y h PRO 73 Cb 1.31 0.01 -0.26 0.00 0.11 0.00 0.00 31.00 32.17 1l8y h PRO 73 CO 0.62 -0.02 0.55 -0.35 -0.21 0.00 0.00 178.00 178.60 1l8y n PRO 74 N -5.15 2.04 -3.12 1.05 -0.04 -1.26 -4.48 135.00 124.04 1l8y n PRO 74 Ca -0.05 -2.51 -0.18 0.00 -0.04 0.00 0.00 63.50 60.72 1l8y n PRO 74 Cb 0.08 -1.98 -0.03 0.00 -0.04 0.00 0.00 33.50 31.53 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 -0.87 2.34 -1.90 0.55 0.00 -0.97 -3.46 120.51 116.20 1l8y n ALA 75 Ca 0.50 -3.49 -0.04 0.00 0.00 0.00 0.00 53.44 50.42 1l8y n ALA 75 Cb 1.47 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 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 0.21 1.63 0.00 0.00 0.00 -1.26 -4.76 120.51 116.33 1l8y n ALA 76 Ca 0.24 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1l8y n ALA 76 Cb 0.65 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.76 1l8y n ALA 76 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1l8y n THR 77 N -0.11 0.00 0.00 0.00 5.66 -1.26 -4.97 114.28 113.60 1l8y n THR 77 Ca -0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1l8y n THR 77 Cb 0.55 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.33 1l8y n THR 77 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1l8y n ASN 78 N 0.00 0.00 -0.07 1.09 4.13 -1.26 -2.30 115.26 116.86 1l8y n ASN 78 Ca 0.00 0.19 -0.07 0.00 1.68 0.00 0.00 54.58 56.38 1l8y n ASN 78 Cb 0.00 -0.38 -0.01 0.00 -1.54 0.00 0.00 39.78 37.85 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 -0.54 0.00 6.41 0.87 -1.94 -3.20 113.55 115.14 1l8y h SER 79 Ca 0.00 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1l8y h SER 79 Cb 0.00 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1l8y h SER 79 CO 0.00 -0.20 0.00 -0.24 -0.53 0.00 0.00 176.83 175.86 1l8y n SER 80 N -5.33 0.00 -3.64 6.23 2.88 -1.26 -4.96 113.62 107.53 1l8y n SER 80 Ca -0.00 0.91 -0.06 0.00 -1.33 0.00 0.00 58.87 58.39 1l8y n SER 80 Cb 0.25 -0.41 -0.07 0.00 -0.75 0.00 0.00 64.21 63.22 1l8y n SER 80 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1l8y s LYS 81 N -2.65 0.27 -0.42 -1.46 2.47 -1.21 -4.99 119.74 111.75 1l8y s LYS 81 Ca 0.00 0.31 0.04 0.00 -1.56 0.00 0.00 55.97 54.77 1l8y s LYS 81 Cb 0.00 0.13 0.45 0.00 -1.46 0.00 0.00 37.83 36.95 1l8y s LYS 81 CO 0.00 -0.03 1.40 1.17 0.16 0.00 0.00 175.35 178.05 1l8y n LYS 82 N 1.86 3.35 -3.67 4.03 4.81 -0.97 -4.28 118.16 123.29 1l8y n LYS 82 Ca -0.11 -3.99 -0.10 0.00 -0.87 0.00 0.00 58.31 53.23 1l8y n LYS 82 Cb 0.56 -2.28 -0.11 0.00 0.02 0.00 0.00 35.03 33.23 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 -3.66 -0.42 0.00 3.14 0.20 -1.26 -5.11 118.68 111.57 1l8y s LEU 83 Ca 0.54 0.85 0.12 0.00 0.69 0.00 0.00 54.13 56.32 1l8y s LEU 83 Cb 0.43 1.14 0.72 0.00 -0.43 0.00 0.00 46.19 48.05 1l8y s LEU 83 CO -0.02 -0.23 1.15 1.21 -0.29 0.00 0.00 176.35 178.17