#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 -2.91 1.61 5.02 0.19 -4.13 118.16 117.94 1l8y n LYS 2 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 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 3.89 0.00 -0.35 -0.00 -1.26 -4.26 117.00 115.02 1l8y n LEU 3 Ca 0.00 -5.48 0.00 0.00 -0.00 0.00 0.00 56.01 50.53 1l8y n LEU 3 Cb 0.00 -0.33 0.00 0.00 -0.00 0.00 0.00 43.42 43.09 1l8y n LEU 3 CO 0.00 2.31 0.00 -0.81 -0.00 0.00 0.00 177.39 178.89 1l8y n PRO 4 N -0.19 0.00 0.00 1.47 -0.04 -1.26 -5.05 135.00 129.93 1l8y n PRO 4 Ca 0.30 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 1l8y n PRO 4 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 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 0.00 0.00 0.54 4.07 -1.26 -5.08 120.64 118.91 1l8y n GLU 5 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1l8y n GLU 5 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1l8y n GLU 5 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1l8y n SER 6 N 0.00 0.00 -1.21 4.31 2.88 -1.26 -4.55 113.62 113.79 1l8y n SER 6 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1l8y n SER 6 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.01 3.07 -1.31 -1.46 -0.02 -1.26 -5.04 135.00 128.97 1l8y n PRO 7 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.43 1l8y n PRO 7 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.46 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 0.28 0.00 -0.52 3.00 -1.04 -4.97 118.16 114.90 1l8y n LYS 8 Ca 0.00 -0.93 0.00 0.00 -0.00 0.00 0.00 58.31 57.38 1l8y n LYS 8 Cb 0.00 0.47 0.00 0.00 0.00 0.00 0.00 35.03 35.50 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 -0.31 0.00 0.00 1.64 5.12 0.19 -3.29 116.66 120.01 1l8y n ARG 9 Ca -0.23 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.69 1l8y n ARG 9 Cb 0.69 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.99 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 4.86 -0.01 0.22 7.54 0.00 -1.15 -2.74 120.51 129.22 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 0.74 0.00 0.00 0.00 0.00 19.45 20.19 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 5.08 -1.69 -2.62 114.58 115.37 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 -0.01 1.49 -1.00 0.00 0.00 179.01 179.49 1l8y h GLU 12 N 0.00 -0.02 -0.50 2.33 4.22 0.22 -2.15 114.58 118.68 1l8y h GLU 12 Ca 0.09 0.00 0.10 0.00 0.08 0.00 0.00 59.36 59.63 1l8y h GLU 12 Cb 0.96 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.11 1l8y h GLU 12 CO -0.00 -0.01 -0.25 0.97 -2.18 0.00 0.00 179.01 177.54 1l8y h ILE 13 N -0.19 0.30 0.36 2.32 6.09 0.17 -2.52 117.51 124.03 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 0.01 0.30 0.00 0.00 0.47 0.00 0.00 36.82 37.61 1l8y h ILE 13 CO 0.00 0.00 -0.17 -0.25 -3.07 0.00 0.00 178.15 174.66 1l8y h TRP 14 N -0.13 -0.44 -0.14 2.19 7.01 -1.65 -2.43 115.95 120.35 1l8y h TRP 14 Ca 0.23 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.23 1l8y h TRP 14 Cb 0.49 0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.68 1l8y h TRP 14 CO -0.52 -0.28 -0.13 0.37 -2.79 0.00 0.00 178.44 175.09 1l8y h GLN 15 N -0.99 -0.06 -1.00 2.65 4.15 -1.38 0.37 115.11 118.85 1l8y h GLN 15 Ca -0.05 0.00 0.27 0.00 0.77 0.00 0.00 58.65 59.64 1l8y h GLN 15 Cb 0.37 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.01 1l8y h GLN 15 CO 0.08 -0.04 0.68 0.37 -1.93 0.00 0.00 178.83 178.00 1l8y h GLN 16 N -0.06 0.21 -0.26 1.69 5.75 -1.59 1.04 115.11 121.90 1l8y h GLN 16 Ca 0.02 -0.01 -0.14 0.00 -0.15 0.00 0.00 58.65 58.37 1l8y h GLN 16 Cb 0.12 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.62 1l8y h GLN 16 CO -0.16 0.14 -0.38 1.03 -2.65 0.00 0.00 178.83 176.81 1l8y h SER 17 N 0.22 0.77 0.03 -0.69 0.87 0.05 -3.29 113.55 111.51 1l8y h SER 17 Ca 0.52 -0.51 -0.31 0.00 -1.23 0.00 0.00 61.79 60.25 1l8y h SER 17 Cb 1.63 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 63.33 1l8y h SER 17 CO -0.14 1.14 -1.73 1.33 -0.53 0.00 0.00 176.83 176.89 1l8y n VAL 18 N -4.21 1.59 -0.42 2.23 0.24 0.93 -4.31 118.33 114.39 1l8y n VAL 18 Ca -0.05 -0.27 0.37 0.00 -2.04 0.00 0.00 64.34 62.35 1l8y n VAL 18 Cb 0.53 -1.90 0.64 0.00 -1.47 0.00 0.00 33.84 31.63 1l8y n VAL 18 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 1l8y h ILE 19 N -0.69 0.02 -0.56 1.34 2.10 0.88 0.94 117.51 121.54 1l8y h ILE 19 Ca -0.44 -0.01 0.03 0.00 1.08 0.00 0.00 64.86 65.52 1l8y h ILE 19 Cb 1.57 0.00 -0.04 0.00 -1.09 0.00 0.00 36.82 37.26 1l8y h ILE 19 CO -0.17 0.00 0.34 1.23 -1.08 0.00 0.00 178.15 178.47 1l8y h GLY 20 N 0.01 0.79 1.71 8.18 0.00 -1.75 1.29 103.07 113.31 1l8y h GLY 20 Ca 0.87 -0.25 -0.11 0.00 0.00 0.00 0.00 47.33 47.83 1l8y h GLY 20 CO -0.58 0.21 -0.72 -1.80 0.00 0.00 0.00 176.54 173.66 1l8y h ASP 21 N 0.67 0.00 0.05 0.19 1.82 0.40 -2.38 116.42 117.17 1l8y h ASP 21 Ca 0.22 0.00 -0.25 0.00 -0.39 0.00 0.00 57.03 56.61 1l8y h ASP 21 Cb 0.02 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.05 1l8y h ASP 21 CO -0.10 0.48 -0.99 1.88 -1.61 0.00 0.00 179.24 178.90 1l8y h TYR 22 N 0.00 0.97 0.00 0.28 -1.99 0.56 -2.33 116.97 114.45 1l8y h TYR 22 Ca -0.04 -0.51 -0.14 0.00 2.00 0.00 0.00 58.73 60.03 1l8y h TYR 22 Cb 1.40 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 39.99 1l8y h TYR 22 CO 0.00 1.34 -0.69 -0.07 -0.00 0.00 0.00 178.16 178.74 1l8y h LEU 23 N 0.39 0.00 0.29 3.88 3.38 0.16 -3.28 115.31 120.12 1l8y h LEU 23 Ca -0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1l8y h LEU 23 Cb 1.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.38 1l8y h LEU 23 CO 0.19 0.69 -0.14 0.00 0.09 0.00 0.00 178.44 179.27 1l8y h ALA 24 N 1.31 -0.39 -1.13 1.53 0.00 -1.36 0.78 119.26 119.99 1l8y h ALA 24 Ca -0.01 -0.15 0.41 0.00 0.00 0.00 0.00 54.91 55.16 1l8y h ALA 24 Cb 1.24 0.15 -0.15 0.00 0.00 0.00 0.00 17.79 19.02 1l8y h ALA 24 CO 0.09 -0.61 0.67 0.07 0.00 0.00 0.00 179.25 179.47 1l8y h ARG 25 N -0.60 0.10 0.00 0.00 0.11 -1.48 0.53 114.38 113.05 1l8y h ARG 25 Ca -0.04 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.03 1l8y h ARG 25 Cb 0.43 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.49 1l8y h ARG 25 CO 0.07 0.07 -0.03 0.34 0.10 0.00 0.00 179.97 180.51 1l8y n PHE 26 N -4.99 0.00 -4.23 4.08 7.35 -1.20 -4.99 117.46 113.48 1l8y n PHE 26 Ca 0.36 -0.57 -0.33 0.00 -0.76 0.00 0.00 57.45 56.15 1l8y n PHE 26 Cb 1.28 -0.08 -0.05 0.00 0.35 0.00 0.00 39.48 40.98 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 -0.72 -2.24 0.00 -4.13 0.00 0.23 -4.13 118.16 107.18 1l8y n LYS 27 Ca 0.05 0.27 0.00 0.00 0.00 0.00 0.00 58.31 58.63 1l8y n LYS 27 Cb 0.43 -4.50 0.00 0.00 0.00 0.00 0.00 35.03 30.96 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 -2.77 0.00 0.00 3.14 5.15 0.90 -4.99 115.26 116.68 1l8y n ASN 28 Ca -0.13 0.00 0.15 0.00 -0.60 0.00 0.00 54.58 54.00 1l8y n ASN 28 Cb 0.59 0.00 0.85 0.00 -0.53 0.00 0.00 39.78 40.69 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 -1.21 -4.48 116.55 114.09 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 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 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 -1.11 0.00 -0.27 -0.67 3.00 -1.26 0.33 116.66 116.68 1l8y n ARG 30 Ca 0.20 0.00 0.06 0.00 -0.00 0.00 0.00 57.85 58.10 1l8y n ARG 30 Cb 0.15 0.00 0.17 0.00 0.00 0.00 0.00 32.46 32.78 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 0.30 0.00 5.15 2.07 -1.98 0.66 116.25 122.45 1l8y h VAL 31 Ca 0.00 -0.03 -0.13 0.00 0.82 0.00 0.00 66.70 67.36 1l8y h VAL 31 Cb 0.00 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 1l8y h VAL 31 CO 0.00 0.02 -0.74 0.11 0.02 0.00 0.00 177.57 176.98 1l8y h LYS 32 N 0.09 0.00 -0.37 1.57 1.79 0.51 -3.29 116.57 116.87 1l8y h LYS 32 Ca 0.43 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.78 1l8y h LYS 32 Cb 0.77 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.40 1l8y h LYS 32 CO -0.70 0.53 -0.24 0.00 -1.08 0.00 0.00 179.45 177.96 1l8y h ALA 33 N 1.42 0.88 -0.43 3.86 0.00 0.46 0.33 119.26 125.78 1l8y h ALA 33 Ca -0.04 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1l8y h ALA 33 Cb 1.47 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1l8y h ALA 33 CO 0.07 0.63 0.08 1.25 0.00 0.00 0.00 179.25 181.27 1l8y h LEU 34 N 0.65 0.67 0.04 0.00 6.46 -0.01 -2.33 115.31 120.79 1l8y h LEU 34 Ca 0.09 -0.25 -0.07 0.00 -0.12 0.00 0.00 57.88 57.52 1l8y h LEU 34 Cb 0.75 -0.18 0.01 0.00 -0.73 0.00 0.00 40.66 40.51 1l8y h LEU 34 CO 0.06 0.75 -0.30 0.11 -0.62 0.00 0.00 178.44 178.45 1l8y h LYS 35 N 0.56 0.13 -0.72 1.25 1.79 -1.60 0.95 116.57 118.93 1l8y h LYS 35 Ca 0.13 -0.19 0.21 0.00 -2.18 0.00 0.00 60.65 58.62 1l8y h LYS 35 Cb 0.36 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.05 1l8y h LYS 35 CO 0.01 1.04 0.63 0.00 -1.08 0.00 0.00 179.45 180.05 1l8y h ALA 36 N 0.10 2.57 0.02 3.86 0.00 -0.40 0.42 119.26 125.83 1l8y h ALA 36 Ca -0.05 -0.03 -0.39 0.00 0.00 0.00 0.00 54.91 54.44 1l8y h ALA 36 Cb 1.18 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 1l8y h ALA 36 CO 0.06 -1.00 -2.35 -0.12 0.00 0.00 0.00 179.25 175.84 1l8y n MET 37 N -3.93 0.65 0.29 0.00 0.00 -0.88 -3.75 117.12 109.52 1l8y n MET 37 Ca 0.15 0.21 -0.12 0.00 -0.00 0.00 0.00 57.70 57.94 1l8y n MET 37 Cb 0.89 -1.56 -0.06 0.00 0.00 0.00 0.00 33.22 32.50 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 -0.22 -0.74 -0.01 2.12 4.81 0.23 -1.00 114.58 119.78 1l8y h GLU 38 Ca -0.56 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 58.74 1l8y h GLU 38 Cb 1.84 0.17 -0.04 0.00 0.63 0.00 0.00 28.75 31.36 1l8y h GLU 38 CO -0.13 -0.49 -0.18 0.52 -0.73 0.00 0.00 179.01 178.00 1l8y h MET 39 N -0.96 -0.28 0.00 1.92 2.86 -0.42 0.12 114.93 118.18 1l8y h MET 39 Ca -0.08 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1l8y h MET 39 Cb 0.59 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1l8y h MET 39 CO 0.13 -0.18 0.06 1.15 1.06 0.00 0.00 176.91 179.13 1l8y h THR 40 N -0.29 0.00 0.10 2.22 2.02 -1.63 0.45 112.91 115.78 1l8y h THR 40 Ca 0.06 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 67.04 1l8y h THR 40 Cb 0.36 0.78 0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1l8y h THR 40 CO -0.18 0.00 -0.82 -0.25 0.37 0.00 0.00 175.52 174.64 1l8y h TRP 41 N 0.00 0.64 0.00 3.16 2.91 0.43 -3.28 115.95 119.81 1l8y h TRP 41 Ca 0.00 -0.42 -0.10 0.00 1.13 0.00 0.00 58.89 59.50 1l8y h TRP 41 Cb 0.13 -0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 28.72 1l8y h TRP 41 CO 0.00 1.29 -0.61 -0.91 -1.03 0.00 0.00 178.44 177.18 1l8y h ASN 42 N -0.19 0.00 0.28 2.65 2.35 -0.74 -3.12 115.58 116.81 1l8y h ASN 42 Ca -0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1l8y h ASN 42 Cb 1.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.96 1l8y h ASN 42 CO 0.16 0.46 0.00 0.78 -1.65 0.00 0.00 177.43 177.18 1l8y h ASN 43 N 0.00 0.00 0.00 5.81 2.35 -0.24 -3.34 115.58 120.16 1l8y h ASN 43 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1l8y h ASN 43 Cb 1.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.74 1l8y h ASN 43 CO 0.06 0.00 0.00 0.80 -1.65 0.00 0.00 177.43 176.64 1l8y n MET 44 N -2.53 0.00 -3.57 0.81 1.56 -1.18 -5.06 117.12 107.16 1l8y n MET 44 Ca -0.01 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.42 1l8y n MET 44 Cb 0.12 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.49 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 -0.99 0.10 2.12 -0.58 -1.25 -4.91 120.64 115.13 1l8y n GLU 45 Ca 0.00 0.00 0.19 0.00 -0.42 0.00 0.00 57.16 56.93 1l8y n GLU 45 Cb 0.00 0.00 0.65 0.00 -0.57 0.00 0.00 31.44 31.52 1l8y n GLU 45 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1l8y h LYS 46 N 0.48 0.00 0.11 3.49 3.64 -1.95 -2.24 116.57 120.10 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 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1l8y h LYS 46 CO 0.00 0.00 -0.11 -0.22 -2.27 0.00 0.00 179.45 176.85 1l8y h LYS 47 N 0.00 -0.21 0.00 1.90 3.11 -1.96 -2.55 116.57 116.86 1l8y h LYS 47 Ca 0.20 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.05 1l8y h LYS 47 Cb 1.43 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.71 1l8y h LYS 47 CO -0.00 -0.14 0.00 0.39 -2.81 0.00 0.00 179.45 176.89 1l8y n GLU 48 N -2.98 0.00 0.00 1.90 1.02 -0.86 -2.39 120.64 117.34 1l8y n GLU 48 Ca -0.03 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1l8y n GLU 48 Cb 0.10 -0.98 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 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 -0.82 0.00 0.18 3.49 5.02 -1.11 0.64 118.16 125.56 1l8y n LYS 49 Ca 0.00 0.33 -0.16 0.00 -2.02 0.00 0.00 58.31 56.46 1l8y n LYS 49 Cb 0.00 -0.56 -0.08 0.00 -0.02 0.00 0.00 35.03 34.37 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 -1.25 -2.19 -0.35 7.12 -1.64 -2.37 115.31 114.63 1l8y h LEU 50 Ca 0.00 0.12 0.03 0.00 0.13 0.00 0.00 57.88 58.16 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 -0.54 0.09 0.24 -0.13 0.00 0.00 178.44 178.10 1l8y h MET 51 N -0.77 0.00 -0.39 1.25 2.86 -1.02 0.98 114.93 117.85 1l8y h MET 51 Ca -0.01 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.56 1l8y h MET 51 Cb 0.73 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 1l8y h MET 51 CO -0.17 0.00 -0.05 -1.49 1.06 0.00 0.00 176.91 176.26 1l8y h TRP 52 N 0.00 0.69 -0.07 -0.22 4.06 0.72 -2.69 115.95 118.43 1l8y h TRP 52 Ca 0.05 -0.10 0.01 0.00 2.06 0.00 0.00 58.89 60.92 1l8y h TRP 52 Cb 0.24 -0.19 -0.03 0.00 -1.00 0.00 0.00 29.16 28.18 1l8y h TRP 52 CO 0.00 0.69 -0.23 0.82 -3.56 0.00 0.00 178.44 176.16 1l8y h ILE 53 N 0.60 0.00 -0.61 1.49 2.04 -0.51 -0.71 117.51 119.81 1l8y h ILE 53 Ca 0.12 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.15 1l8y h ILE 53 Cb 0.46 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 1l8y h ILE 53 CO 0.02 0.00 0.47 0.50 0.00 0.00 0.00 178.15 179.14 1l8y h LYS 54 N -0.24 0.00 0.41 2.37 3.64 -1.54 1.38 116.57 122.59 1l8y h LYS 54 Ca 0.01 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1l8y h LYS 54 Cb 0.28 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1l8y h LYS 54 CO -0.19 0.00 -0.24 -0.22 -2.27 0.00 0.00 179.45 176.53 1l8y h LYS 55 N 0.00 -0.60 0.00 1.90 3.64 -0.80 2.60 116.57 123.31 1l8y h LYS 55 Ca 0.29 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1l8y h LYS 55 Cb 1.22 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1l8y h LYS 55 CO -0.00 -0.40 -0.23 0.00 -2.27 0.00 0.00 179.45 176.55 1l8y h ALA 56 N -0.06 0.87 0.01 5.00 0.00 -0.94 -1.91 119.26 122.23 1l8y h ALA 56 Ca -0.05 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 1l8y h ALA 56 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1l8y h ALA 56 CO 0.06 0.00 -0.89 0.00 0.00 0.00 0.00 179.25 178.42 1l8y h ALA 57 N 2.25 0.53 0.00 0.00 0.00 0.23 1.38 119.26 123.66 1l8y h ALA 57 Ca 0.00 -0.77 -0.03 0.00 0.00 0.00 0.00 54.91 54.11 1l8y h ALA 57 Cb 0.87 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1l8y h ALA 57 CO 0.00 1.02 -0.14 1.49 0.00 0.00 0.00 179.25 181.63 1l8y h GLU 58 N 0.04 0.00 0.00 0.00 4.81 0.46 -2.95 114.58 116.94 1l8y h GLU 58 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1l8y h GLU 58 Cb 1.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.93 1l8y h GLU 58 CO 0.12 0.14 -1.07 -0.25 -0.73 0.00 0.00 179.01 177.22 1l8y n ASP 59 N -3.14 0.60 0.05 1.04 9.92 -0.73 -4.18 116.55 120.12 1l8y n ASP 59 Ca 0.03 -0.12 -0.13 0.00 -0.53 0.00 0.00 54.79 54.05 1l8y n ASP 59 Cb 0.57 0.81 -0.02 0.00 -0.64 0.00 0.00 41.12 41.84 1l8y n ASP 59 CO 0.00 0.00 0.00 -0.61 0.13 0.00 0.00 177.20 176.72 1l8y h GLN 60 N 0.00 0.44 -0.97 -1.24 -0.00 0.20 -3.28 115.11 110.26 1l8y h GLN 60 Ca 0.00 -0.43 0.38 0.00 -0.00 0.00 0.00 58.65 58.60 1l8y h GLN 60 Cb 0.78 0.11 -0.18 0.00 0.00 0.00 0.00 27.48 28.20 1l8y h GLN 60 CO 0.00 1.08 0.42 0.36 0.00 0.00 0.00 178.83 180.69 1l8y n LYS 61 N -3.79 -0.06 0.50 1.69 2.85 -1.21 -0.33 118.16 117.80 1l8y n LYS 61 Ca -0.06 1.37 -0.19 0.00 -1.05 0.00 0.00 58.31 58.37 1l8y n LYS 61 Cb 0.79 -2.39 -0.09 0.00 -0.65 0.00 0.00 35.03 32.68 1l8y n LYS 61 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1l8y h ARG 62 N 0.00 -1.22 -0.00 -1.58 2.47 -1.84 0.34 114.38 112.55 1l8y h ARG 62 Ca 0.78 0.08 0.00 0.00 -1.26 0.00 0.00 59.98 59.58 1l8y h ARG 62 Cb 1.99 0.28 -0.00 0.00 -1.65 0.00 0.00 29.97 30.58 1l8y h ARG 62 CO -0.78 -0.81 0.00 1.88 0.56 0.00 0.00 179.97 180.81 1l8y h TYR 63 N -1.34 0.00 0.16 3.04 0.05 -0.92 -1.59 116.97 116.38 1l8y h TYR 63 Ca -0.13 0.00 -0.33 0.00 0.05 0.00 0.00 58.73 58.32 1l8y h TYR 63 Cb 0.97 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.72 1l8y h TYR 63 CO -0.00 0.00 -1.66 1.49 -1.05 0.00 0.00 178.16 176.94 1l8y h GLU 64 N 0.00 0.35 0.00 4.88 4.81 -0.21 -3.24 114.58 121.17 1l8y h GLU 64 Ca 0.00 -0.59 0.00 0.00 -0.13 0.00 0.00 59.36 58.64 1l8y h GLU 64 Cb 0.00 0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1l8y h GLU 64 CO -0.00 1.24 0.00 -0.09 -0.73 0.00 0.00 179.01 179.43 1l8y h ARG 65 N 0.09 0.00 0.01 1.92 9.65 0.61 -2.12 114.38 124.54 1l8y h ARG 65 Ca -0.30 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.58 1l8y h ARG 65 Cb 2.07 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.65 1l8y h ARG 65 CO 0.18 0.00 -0.01 0.93 2.80 0.00 0.00 179.97 183.87 1l8y h GLU 66 N 0.00 -0.01 -0.82 0.20 5.08 -1.39 -3.23 114.58 114.40 1l8y h GLU 66 Ca 0.00 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.47 1l8y h GLU 66 Cb 0.34 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.51 1l8y h GLU 66 CO 0.00 -0.01 0.45 1.37 -1.00 0.00 0.00 179.01 179.82 1l8y h LEU 67 N -0.05 0.61 -1.06 1.33 -0.00 -1.61 0.58 115.31 115.11 1l8y h LEU 67 Ca -0.00 0.06 0.43 0.00 -0.00 0.00 0.00 57.88 58.37 1l8y h LEU 67 Cb 0.01 -0.05 -0.17 0.00 -0.00 0.00 0.00 40.66 40.45 1l8y h LEU 67 CO 0.00 0.32 0.59 -1.20 -0.00 0.00 0.00 178.44 178.15 1l8y n SER 68 N -4.80 0.33 0.24 0.17 7.64 -0.80 0.11 113.62 116.52 1l8y n SER 68 Ca 0.14 1.62 0.18 0.00 1.01 0.00 0.00 58.87 61.82 1l8y n SER 68 Cb 0.33 -0.79 0.86 0.00 -1.01 0.00 0.00 64.21 63.60 1l8y n SER 68 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1l8y h GLU 69 N 0.00 0.00 0.00 1.43 4.11 -1.26 0.19 114.58 119.05 1l8y h GLU 69 Ca 0.85 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 60.25 1l8y h GLU 69 Cb 2.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.58 1l8y h GLU 69 CO -0.72 0.00 -1.53 -0.12 0.07 0.00 0.00 179.01 176.70 1l8y n MET 70 N -3.39 0.63 -1.10 1.06 1.56 0.31 -4.20 117.12 111.99 1l8y n MET 70 Ca 0.01 -0.01 -0.25 0.00 -0.27 0.00 0.00 57.70 57.18 1l8y n MET 70 Cb 0.37 -1.68 0.09 0.00 2.15 0.00 0.00 33.22 34.15 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 -2.52 2.23 -2.73 2.12 0.63 0.67 -4.34 116.66 112.72 1l8y n ARG 71 Ca -0.04 -2.53 -0.09 0.00 -0.92 0.00 0.00 57.85 54.27 1l8y n ARG 71 Cb 0.61 -1.99 0.08 0.00 0.45 0.00 0.00 32.46 31.62 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 -0.52 1.37 -0.20 5.13 0.00 -1.19 -4.98 120.51 120.11 1l8y n ALA 72 Ca 0.49 -1.86 -0.01 0.00 0.00 0.00 0.00 53.44 52.07 1l8y n ALA 72 Cb 0.86 -1.01 0.10 0.00 0.00 0.00 0.00 19.45 19.40 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 2.47 0.44 -0.98 0.00 0.11 -1.85 -0.92 132.00 131.26 1l8y h PRO 73 Ca -0.18 -0.03 -0.29 0.00 0.11 0.00 0.00 66.00 65.61 1l8y h PRO 73 Cb 1.21 -0.10 -0.17 0.00 0.11 0.00 0.00 31.00 32.05 1l8y h PRO 73 CO 0.13 0.29 0.37 -0.35 -0.21 0.00 0.00 178.00 178.23 1l8y n PRO 74 N -4.96 1.84 -0.90 1.05 -0.04 -1.26 -4.22 135.00 126.52 1l8y n PRO 74 Ca 0.08 -1.80 -0.07 0.00 -0.04 0.00 0.00 63.50 61.67 1l8y n PRO 74 Cb 0.25 -1.72 0.19 0.00 -0.04 0.00 0.00 33.50 32.18 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 -0.43 4.53 -2.02 0.55 0.00 -0.35 -3.64 120.51 119.15 1l8y n ALA 75 Ca 0.35 -3.16 -0.05 0.00 0.00 0.00 0.00 53.44 50.58 1l8y n ALA 75 Cb 1.18 -0.82 -0.05 0.00 0.00 0.00 0.00 19.45 19.76 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 -1.12 3.35 0.00 0.00 0.00 -1.26 -4.95 120.51 116.53 1l8y n ALA 76 Ca 0.37 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1l8y n ALA 76 Cb 1.10 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 20.26 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 0.02 0.00 -1.28 0.00 5.66 -1.26 -4.96 114.28 112.46 1l8y n THR 77 Ca -0.21 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.56 1l8y n THR 77 Cb 0.68 0.00 0.17 0.00 -1.55 0.00 0.00 70.33 69.63 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 4.10 0.00 1.09 4.13 -1.24 -4.14 115.26 119.19 1l8y n ASN 78 Ca 0.00 -3.66 0.00 0.00 1.68 0.00 0.00 54.58 52.60 1l8y n ASN 78 Cb 0.00 -0.83 0.00 0.00 -1.54 0.00 0.00 39.78 37.41 1l8y n ASN 78 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1l8y n SER 79 N -1.11 0.44 -2.70 6.41 7.64 -1.24 -4.86 113.62 118.19 1l8y n SER 79 Ca 0.57 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 60.40 1l8y n SER 79 Cb 1.46 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 64.71 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 -2.79 -2.08 -4.81 6.43 7.64 -1.26 -5.12 113.62 111.63 1l8y n SER 80 Ca 0.00 -2.08 -0.33 0.00 1.01 0.00 0.00 58.87 57.48 1l8y n SER 80 Cb 0.38 1.15 -0.00 0.00 -1.01 0.00 0.00 64.21 64.73 1l8y n SER 80 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1l8y s LYS 81 N 0.62 3.46 -0.43 1.43 -2.85 -1.26 -4.95 119.74 115.76 1l8y s LYS 81 Ca 0.27 1.20 0.02 0.00 -1.00 0.00 0.00 55.97 56.47 1l8y s LYS 81 Cb 0.15 -2.05 0.19 0.00 -2.06 0.00 0.00 37.83 34.06 1l8y s LYS 81 CO -0.12 -0.69 0.82 0.15 0.10 0.00 0.00 175.35 175.61 1l8y s LYS 82 N -3.94 0.73 0.05 1.78 -0.14 -1.26 -5.16 119.74 111.80 1l8y s LYS 82 Ca 0.64 -0.58 -0.11 0.00 -1.36 0.00 0.00 55.97 54.56 1l8y s LYS 82 Cb -0.15 0.00 0.01 0.00 -1.68 0.00 0.00 37.83 36.00 1l8y s LYS 82 CO 0.34 -0.94 0.23 -0.51 -0.76 0.00 0.00 175.35 173.70 1l8y s LEU 83 N 1.24 1.22 0.00 3.17 1.02 -1.26 -5.28 118.68 118.79 1l8y s LEU 83 Ca 0.24 -0.37 0.15 0.00 0.02 0.00 0.00 54.13 54.17 1l8y s LEU 83 Cb 0.02 1.10 0.87 0.00 0.02 0.00 0.00 46.19 48.20 1l8y s LEU 83 CO -0.08 -0.61 1.29 -1.84 0.02 0.00 0.00 176.35 175.13