#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 -4.12 0.12 1.61 4.76 -1.26 -5.04 118.16 114.24 1l8y n LYS 2 Ca 0.00 3.16 0.00 0.00 -2.87 0.00 0.00 58.31 58.60 1l8y n LYS 2 Cb 0.00 -4.91 0.00 0.00 -1.84 0.00 0.00 35.03 28.28 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 1.49 -1.48 0.06 -0.35 4.77 -1.26 -5.01 117.00 115.22 1l8y n LEU 3 Ca -0.29 0.46 -0.04 0.00 -0.03 0.00 0.00 56.01 56.11 1l8y n LEU 3 Cb 0.46 1.54 -0.02 0.00 -2.33 0.00 0.00 43.42 43.07 1l8y n LEU 3 CO 0.39 -0.32 0.51 -0.65 -1.33 0.00 0.00 177.39 175.99 1l8y h PRO 4 N 0.00 -0.21 -0.13 3.23 0.11 -1.93 -3.49 132.00 129.57 1l8y h PRO 4 Ca 0.00 0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.14 1l8y h PRO 4 Cb 0.00 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 1l8y h PRO 4 CO 0.00 -0.14 -0.04 -1.91 -0.21 0.00 0.00 178.00 175.70 1l8y n GLU 5 N -2.95 -0.12 0.00 1.05 4.07 -1.26 -5.08 120.64 116.35 1l8y n GLU 5 Ca -0.03 0.09 0.00 0.00 -0.06 0.00 0.00 57.16 57.17 1l8y n GLU 5 Cb 0.10 -0.14 0.00 0.00 -0.06 0.00 0.00 31.44 31.33 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 -2.39 0.00 -4.27 4.31 2.88 -1.26 -4.79 113.62 108.10 1l8y n SER 6 Ca -0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 1l8y n SER 6 Cb 0.03 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.65 1l8y n SER 6 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1l8y s PRO 7 N 0.00 0.90 0.00 -1.46 0.04 -1.26 -5.03 135.00 128.19 1l8y s PRO 7 Ca 0.00 -0.59 0.00 0.00 0.04 0.00 0.00 61.00 60.45 1l8y s PRO 7 Cb 0.00 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1l8y s PRO 7 CO 0.00 -2.18 0.71 1.63 0.04 0.00 0.00 177.00 177.20 1l8y n LYS 8 N -3.54 0.00 0.00 4.56 4.76 -1.14 -4.98 118.16 117.82 1l8y n LYS 8 Ca 0.15 -0.56 0.00 0.00 -2.87 0.00 0.00 58.31 55.03 1l8y n LYS 8 Cb 0.60 0.33 0.00 0.00 -1.84 0.00 0.00 35.03 34.12 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 0.00 0.00 0.00 1.97 5.12 -0.13 -3.39 116.66 120.23 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 0.56 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.86 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 6.73 -0.06 0.22 7.54 0.00 -1.22 -2.70 120.51 131.02 1l8y n ALA 10 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 1l8y n ALA 10 Cb 0.00 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.15 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 3.07 -1.69 -2.54 114.58 113.42 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 -1.91 -1.40 0.00 0.00 179.01 175.70 1l8y n GLU 12 N -3.15 0.00 -0.19 2.33 0.00 1.25 -2.02 120.64 118.85 1l8y n GLU 12 Ca 0.03 0.45 -0.04 0.00 0.00 0.00 0.00 57.16 57.60 1l8y n GLU 12 Cb 0.58 -0.98 0.02 0.00 0.00 0.00 0.00 31.44 31.06 1l8y n GLU 12 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.13 178.10 1l8y h ILE 13 N 0.00 0.24 0.48 6.31 6.09 0.62 -2.54 117.51 128.71 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 0.00 0.24 0.00 0.00 0.47 0.00 0.00 36.82 37.54 1l8y h ILE 13 CO 0.00 0.00 -0.23 -0.25 -3.07 0.00 0.00 178.15 174.60 1l8y h TRP 14 N -0.12 -0.60 -0.23 2.19 7.01 -1.65 -2.08 115.95 120.47 1l8y h TRP 14 Ca 0.25 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.26 1l8y h TRP 14 Cb 0.52 0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.75 1l8y h TRP 14 CO -0.58 -0.37 -0.20 0.37 -2.79 0.00 0.00 178.44 174.87 1l8y h GLN 15 N -1.08 -0.08 -0.49 2.65 4.15 -1.35 1.05 115.11 119.96 1l8y h GLN 15 Ca -0.07 0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.50 1l8y h GLN 15 Cb 0.49 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.18 1l8y h GLN 15 CO 0.11 -0.05 0.46 1.96 -1.93 0.00 0.00 178.83 179.37 1l8y h GLN 16 N -0.08 0.00 0.05 1.69 1.08 -1.61 0.91 115.11 117.15 1l8y h GLN 16 Ca 0.04 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 56.96 1l8y h GLN 16 Cb 0.18 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.64 1l8y h GLN 16 CO -0.26 0.00 -1.13 0.77 -0.95 0.00 0.00 178.83 177.25 1l8y h SER 17 N 0.00 0.91 0.00 1.46 0.02 0.14 -3.38 113.55 112.70 1l8y h SER 17 Ca 0.23 -0.77 -0.30 0.00 -0.84 0.00 0.00 61.79 60.11 1l8y h SER 17 Cb 1.15 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 63.36 1l8y h SER 17 CO -0.00 1.57 -1.98 1.33 -1.14 0.00 0.00 176.83 176.61 1l8y n VAL 18 N -3.83 1.48 -0.44 2.27 0.24 0.29 -4.53 118.33 113.80 1l8y n VAL 18 Ca -0.12 -0.20 0.36 0.00 -2.04 0.00 0.00 64.34 62.34 1l8y n VAL 18 Cb 0.93 -2.02 0.58 0.00 -1.47 0.00 0.00 33.84 31.86 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 -4.28 -0.14 -0.23 1.34 3.06 0.30 0.17 119.36 119.57 1l8y n ILE 19 Ca -0.40 1.38 -0.07 0.00 -2.50 0.00 0.00 62.75 61.17 1l8y n ILE 19 Cb 0.75 -2.27 0.07 0.00 0.54 0.00 0.00 39.64 38.72 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 1.17 1.73 4.50 0.00 -1.74 0.72 103.07 109.46 1l8y h GLY 20 Ca 0.73 -0.75 -0.06 0.00 0.00 0.00 0.00 47.33 47.25 1l8y h GLY 20 CO -0.27 0.70 -0.51 -1.80 0.00 0.00 0.00 176.54 174.66 1l8y h ASP 21 N 1.03 0.00 0.23 0.19 3.58 0.15 -2.37 116.42 119.22 1l8y h ASP 21 Ca 0.21 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.32 1l8y h ASP 21 Cb 0.40 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.47 1l8y h ASP 21 CO 0.01 0.26 -1.55 1.88 -2.88 0.00 0.00 179.24 176.96 1l8y h TYR 22 N 0.00 0.87 0.00 0.28 0.05 -0.85 -3.13 116.97 114.18 1l8y h TYR 22 Ca -0.02 -0.63 -0.06 0.00 0.05 0.00 0.00 58.73 58.07 1l8y h TYR 22 Cb 1.22 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.91 1l8y h TYR 22 CO 0.00 1.60 -0.27 -0.07 -1.05 0.00 0.00 178.16 178.37 1l8y h LEU 23 N 0.10 0.00 -0.14 3.88 3.38 0.36 -3.13 115.31 119.76 1l8y h LEU 23 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1l8y h LEU 23 Cb 2.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.87 1l8y h LEU 23 CO 0.23 0.27 0.00 0.00 0.09 0.00 0.00 178.44 179.03 1l8y h ALA 24 N 1.73 1.00 -0.03 1.53 0.00 -1.49 0.79 119.26 122.80 1l8y h ALA 24 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1l8y h ALA 24 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1l8y h ALA 24 CO 0.03 0.00 -0.19 0.07 0.00 0.00 0.00 179.25 179.16 1l8y h ARG 25 N 0.00 0.18 -0.29 0.00 0.11 -1.48 -3.34 114.38 109.55 1l8y h ARG 25 Ca 0.00 -0.16 -0.02 0.00 0.10 0.00 0.00 59.98 59.91 1l8y h ARG 25 Cb 0.89 0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.99 1l8y h ARG 25 CO 0.00 0.84 0.00 0.34 0.10 0.00 0.00 179.97 181.25 1l8y n PHE 26 N -4.56 1.04 -3.53 4.08 7.35 -1.26 -4.98 117.46 115.59 1l8y n PHE 26 Ca -0.09 -0.92 -0.20 0.00 -0.76 0.00 0.00 57.45 55.48 1l8y n PHE 26 Cb 0.45 -0.34 0.01 0.00 0.35 0.00 0.00 39.48 39.95 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 -0.50 -1.35 0.00 -4.13 0.00 -1.07 -4.08 118.16 107.03 1l8y n LYS 27 Ca 0.23 0.88 0.00 0.00 0.00 0.00 0.00 58.31 59.42 1l8y n LYS 27 Cb 0.93 -3.97 0.00 0.00 0.00 0.00 0.00 35.03 31.99 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 -2.37 0.00 0.00 3.14 5.15 0.25 -4.98 115.26 116.45 1l8y n ASN 28 Ca -0.14 0.00 0.07 0.00 -0.60 0.00 0.00 54.58 53.90 1l8y n ASN 28 Cb 0.60 0.00 0.40 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 -1.22 -4.38 116.55 114.18 1l8y n ASP 29 Ca 0.00 -0.55 0.00 0.00 0.52 0.00 0.00 54.79 54.76 1l8y n ASP 29 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -0.93 0.00 -0.24 -0.67 3.00 -1.26 0.23 116.66 116.78 1l8y n ARG 30 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 1l8y n ARG 30 Cb 0.05 0.00 0.07 0.00 0.00 0.00 0.00 32.46 32.58 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 0.29 0.00 5.15 2.07 -1.99 0.75 116.25 122.52 1l8y h VAL 31 Ca 0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1l8y h VAL 31 Cb 0.00 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1l8y h VAL 31 CO 0.00 0.00 -1.14 0.11 0.02 0.00 0.00 177.57 176.56 1l8y h LYS 32 N -0.01 0.00 0.12 1.57 1.79 0.24 -3.35 116.57 116.94 1l8y h LYS 32 Ca 0.33 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.80 1l8y h LYS 32 Cb 0.52 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1l8y h LYS 32 CO -0.72 0.12 -0.06 0.00 -1.08 0.00 0.00 179.45 177.71 1l8y h ALA 33 N 1.77 -0.16 -0.79 3.86 0.00 0.12 0.66 119.26 124.71 1l8y h ALA 33 Ca -0.06 -0.23 0.13 0.00 0.00 0.00 0.00 54.91 54.74 1l8y h ALA 33 Cb 1.23 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 1l8y h ALA 33 CO 0.02 -0.32 0.52 1.25 0.00 0.00 0.00 179.25 180.71 1l8y h LEU 34 N -0.70 0.53 0.15 0.00 6.46 0.25 -1.81 115.31 120.19 1l8y h LEU 34 Ca -0.02 0.02 -0.36 0.00 -0.12 0.00 0.00 57.88 57.41 1l8y h LEU 34 Cb 0.52 -0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.37 1l8y h LEU 34 CO 0.03 0.29 -1.85 0.11 -0.62 0.00 0.00 178.44 176.39 1l8y h LYS 35 N 0.57 0.33 -0.47 1.25 1.79 -1.68 -0.79 116.57 117.57 1l8y h LYS 35 Ca 0.38 -0.56 0.14 0.00 -2.18 0.00 0.00 60.65 58.43 1l8y h LYS 35 Cb 0.69 0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 31.53 1l8y h LYS 35 CO -0.14 1.27 0.47 0.00 -1.08 0.00 0.00 179.45 179.97 1l8y h ALA 36 N 0.08 2.22 0.01 3.86 0.00 0.80 0.16 119.26 126.39 1l8y h ALA 36 Ca -0.38 -0.02 -0.41 0.00 0.00 0.00 0.00 54.91 54.10 1l8y h ALA 36 Cb 2.05 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.81 1l8y h ALA 36 CO 0.13 -0.72 -2.43 -0.12 0.00 0.00 0.00 179.25 176.11 1l8y n MET 37 N -3.78 0.63 0.14 0.00 0.00 -0.72 -3.84 117.12 109.54 1l8y n MET 37 Ca 0.09 0.22 -0.05 0.00 -0.00 0.00 0.00 57.70 57.95 1l8y n MET 37 Cb 0.67 -1.53 -0.03 0.00 0.00 0.00 0.00 33.22 32.33 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 -0.42 -0.34 -0.18 2.12 4.57 -0.26 -1.04 114.58 119.04 1l8y h GLU 38 Ca -0.61 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 57.64 1l8y h GLU 38 Cb 1.78 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 30.39 1l8y h GLU 38 CO -0.21 -0.23 -0.18 0.52 -1.18 0.00 0.00 179.01 177.73 1l8y h MET 39 N -0.39 -0.20 0.00 1.92 2.86 -0.95 0.69 114.93 118.87 1l8y h MET 39 Ca -0.04 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1l8y h MET 39 Cb 0.27 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1l8y h MET 39 CO 0.06 -0.13 0.05 1.15 1.06 0.00 0.00 176.91 179.10 1l8y h THR 40 N -0.20 0.00 0.13 2.22 2.02 -1.62 1.06 112.91 116.51 1l8y h THR 40 Ca 0.11 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 67.09 1l8y h THR 40 Cb 0.37 0.69 0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1l8y h THR 40 CO -0.30 0.00 -0.92 -0.25 0.37 0.00 0.00 175.52 174.42 1l8y h TRP 41 N 0.00 0.50 0.00 3.16 2.91 0.52 -3.31 115.95 119.74 1l8y h TRP 41 Ca 0.00 -0.37 -0.17 0.00 1.13 0.00 0.00 58.89 59.48 1l8y h TRP 41 Cb 0.11 -0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 28.71 1l8y h TRP 41 CO 0.00 1.36 -0.98 -0.91 -1.03 0.00 0.00 178.44 176.87 1l8y h ASN 42 N -0.38 0.00 0.00 2.65 2.35 -0.75 -3.16 115.58 116.28 1l8y h ASN 42 Ca -0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1l8y h ASN 42 Cb 1.65 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.02 1l8y h ASN 42 CO 0.12 0.75 0.07 0.78 -1.65 0.00 0.00 177.43 177.50 1l8y h ASN 43 N 0.00 0.00 0.00 5.81 2.35 0.99 -3.33 115.58 121.41 1l8y h ASN 43 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1l8y h ASN 43 Cb 1.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.00 1l8y h ASN 43 CO 0.09 0.00 0.00 0.80 -1.65 0.00 0.00 177.43 176.67 1l8y n MET 44 N -3.00 0.00 -3.83 0.81 1.56 -1.19 -5.05 117.12 106.42 1l8y n MET 44 Ca -0.03 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.40 1l8y n MET 44 Cb 0.14 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.51 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 -0.82 0.11 2.12 1.02 -1.25 -4.94 120.64 116.88 1l8y n GLU 45 Ca 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 57.16 57.34 1l8y n GLU 45 Cb 0.00 0.00 0.72 0.00 -0.02 0.00 0.00 31.44 32.14 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 0.23 3.49 1.63 -1.94 -2.52 116.57 117.45 1l8y h LYS 46 Ca 0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1l8y h LYS 46 Cb 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1l8y h LYS 46 CO 0.00 0.00 -0.24 -0.22 -3.45 0.00 0.00 179.45 175.54 1l8y h LYS 47 N 0.00 -0.46 0.00 1.90 3.64 -1.96 -2.77 116.57 116.92 1l8y h LYS 47 Ca 0.18 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1l8y h LYS 47 Cb 1.19 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1l8y h LYS 47 CO -0.00 -0.31 0.00 0.39 -2.27 0.00 0.00 179.45 177.26 1l8y n GLU 48 N -3.82 0.00 0.00 1.90 -0.58 -0.96 -2.69 120.64 114.48 1l8y n GLU 48 Ca -0.06 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 1l8y n GLU 48 Cb 0.22 -0.89 0.00 0.00 -0.57 0.00 0.00 31.44 30.20 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 -0.76 0.00 0.18 3.49 5.02 -1.14 -0.18 118.16 124.77 1l8y n LYS 49 Ca 0.00 0.37 -0.14 0.00 -2.02 0.00 0.00 58.31 56.52 1l8y n LYS 49 Cb 0.00 -0.57 -0.08 0.00 -0.02 0.00 0.00 35.03 34.36 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 -1.20 -1.92 -0.35 7.12 -1.68 -2.07 115.31 115.21 1l8y h LEU 50 Ca 0.00 0.11 0.21 0.00 0.13 0.00 0.00 57.88 58.33 1l8y h LEU 50 Cb 0.00 0.42 -0.03 0.00 -0.53 0.00 0.00 40.66 40.52 1l8y h LEU 50 CO 0.00 -0.51 0.62 0.24 -0.13 0.00 0.00 178.44 178.66 1l8y h MET 51 N -0.73 0.00 -0.29 1.25 2.86 -1.08 0.83 114.93 117.76 1l8y h MET 51 Ca -0.03 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.50 1l8y h MET 51 Cb 0.67 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 1l8y h MET 51 CO -0.13 0.00 -0.29 -1.49 1.06 0.00 0.00 176.91 176.06 1l8y h TRP 52 N 0.00 0.67 -0.39 -0.22 4.06 0.14 -2.75 115.95 117.47 1l8y h TRP 52 Ca 0.34 -0.16 0.08 0.00 2.06 0.00 0.00 58.89 61.21 1l8y h TRP 52 Cb 1.57 -0.16 -0.09 0.00 -1.00 0.00 0.00 29.16 29.49 1l8y h TRP 52 CO 0.00 0.82 -0.21 0.82 -3.56 0.00 0.00 178.44 176.31 1l8y h ILE 53 N 0.51 0.40 -0.11 1.49 2.04 0.10 -1.15 117.51 120.79 1l8y h ILE 53 Ca 0.06 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.85 1l8y h ILE 53 Cb 0.76 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1l8y h ILE 53 CO 0.06 0.00 -0.28 0.50 0.00 0.00 0.00 178.15 178.43 1l8y h LYS 54 N -0.15 0.19 -0.21 2.37 3.64 -1.48 1.25 116.57 122.19 1l8y h LYS 54 Ca 0.19 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.53 1l8y h LYS 54 Cb 0.44 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 1l8y h LYS 54 CO -0.48 0.47 0.05 -0.22 -2.27 0.00 0.00 179.45 177.00 1l8y h LYS 55 N 0.17 0.13 0.00 1.90 3.64 -0.93 2.12 116.57 123.60 1l8y h LYS 55 Ca 0.03 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1l8y h LYS 55 Cb 0.60 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1l8y h LYS 55 CO 0.04 0.09 -0.57 0.00 -2.27 0.00 0.00 179.45 176.74 1l8y h ALA 56 N 1.15 0.73 0.00 5.00 0.00 -1.25 -2.36 119.26 122.53 1l8y h ALA 56 Ca 0.09 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1l8y h ALA 56 Cb 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1l8y h ALA 56 CO -0.12 0.07 -0.64 0.00 0.00 0.00 0.00 179.25 178.56 1l8y h ALA 57 N 1.95 0.71 0.00 0.00 0.00 0.23 2.13 119.26 124.28 1l8y h ALA 57 Ca -0.01 -0.58 -0.18 0.00 0.00 0.00 0.00 54.91 54.14 1l8y h ALA 57 Cb 1.04 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1l8y h ALA 57 CO 0.01 0.80 -0.85 1.49 0.00 0.00 0.00 179.25 180.70 1l8y h GLU 58 N 0.00 0.00 0.00 0.00 4.81 0.35 -2.62 114.58 117.11 1l8y h GLU 58 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1l8y h GLU 58 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1l8y h GLU 58 CO 0.08 0.85 -0.46 -0.25 -0.73 0.00 0.00 179.01 178.50 1l8y n ASP 59 N -3.50 0.59 0.04 1.04 9.92 -0.84 -3.71 116.55 120.09 1l8y n ASP 59 Ca -0.00 0.12 0.07 0.00 -0.53 0.00 0.00 54.79 54.45 1l8y n ASP 59 Cb 0.82 0.01 0.32 0.00 -0.64 0.00 0.00 41.12 41.62 1l8y n ASP 59 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1l8y n GLN 60 N -1.91 0.05 -0.13 -1.24 0.00 0.72 -2.45 117.38 112.42 1l8y n GLN 60 Ca 0.04 0.36 -0.06 0.00 -0.00 0.00 0.00 57.00 57.35 1l8y n GLN 60 Cb 0.40 -1.62 0.12 0.00 0.00 0.00 0.00 30.24 29.15 1l8y n GLN 60 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 1l8y h LYS 61 N 0.00 0.86 0.26 3.69 3.64 -1.68 -2.75 116.57 120.59 1l8y h LYS 61 Ca 0.00 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.13 1l8y h LYS 61 Cb 0.22 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1l8y h LYS 61 CO 0.00 0.87 -0.32 0.00 -2.27 0.00 0.00 179.45 177.73 1l8y h ARG 62 N 0.79 -0.57 -0.47 1.90 2.47 -1.77 -1.63 114.38 115.10 1l8y h ARG 62 Ca 0.15 0.04 0.09 0.00 -1.26 0.00 0.00 59.98 59.00 1l8y h ARG 62 Cb 0.50 0.13 -0.08 0.00 -1.65 0.00 0.00 29.97 28.87 1l8y h ARG 62 CO 0.02 -0.38 -0.03 0.10 0.56 0.00 0.00 179.97 180.25 1l8y h TYR 63 N -0.60 -0.08 -0.73 3.04 -0.00 -1.75 -1.65 116.97 115.21 1l8y h TYR 63 Ca -0.03 0.04 0.16 0.00 0.00 0.00 0.00 58.73 58.89 1l8y h TYR 63 Cb 0.53 0.11 -0.11 0.00 0.00 0.00 0.00 36.73 37.26 1l8y h TYR 63 CO -0.23 -0.13 0.17 1.49 -0.00 0.00 0.00 178.16 179.46 1l8y h GLU 64 N 0.09 0.25 0.00 0.10 4.81 -1.27 0.37 114.58 118.93 1l8y h GLU 64 Ca 0.24 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 1l8y h GLU 64 Cb 0.35 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 1l8y h GLU 64 CO -0.42 0.17 -0.09 0.00 -0.73 0.00 0.00 179.01 177.94 1l8y h ARG 65 N 0.26 0.00 0.00 1.92 -0.00 -0.33 -0.97 114.38 115.26 1l8y h ARG 65 Ca 0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.89 1l8y h ARG 65 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.66 1l8y h ARG 65 CO -0.51 0.09 0.00 0.39 0.00 0.00 0.00 179.97 179.94 1l8y n GLU 66 N -4.02 0.00 0.20 0.04 -0.58 0.13 -0.26 120.64 116.14 1l8y n GLU 66 Ca -0.02 0.40 -0.15 0.00 -0.42 0.00 0.00 57.16 56.97 1l8y n GLU 66 Cb 0.18 -1.33 -0.07 0.00 -0.57 0.00 0.00 31.44 29.65 1l8y n GLU 66 CO 0.00 0.00 0.00 1.37 -0.48 0.00 0.00 177.13 178.02 1l8y h LEU 67 N 0.00 -0.81 -1.56 -4.62 -0.00 -1.53 -2.36 115.31 104.43 1l8y h LEU 67 Ca 0.00 0.07 0.28 0.00 -0.00 0.00 0.00 57.88 58.23 1l8y h LEU 67 Cb 0.00 0.28 -0.08 0.00 -0.00 0.00 0.00 40.66 40.86 1l8y h LEU 67 CO 0.00 -0.43 0.70 -1.28 -0.00 0.00 0.00 178.44 177.43 1l8y h SER 68 N -0.63 0.31 0.83 0.17 0.87 -1.24 0.74 113.55 114.59 1l8y h SER 68 Ca -0.01 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 1l8y h SER 68 Cb 0.58 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1l8y h SER 68 CO -0.06 0.07 -0.14 -0.33 -0.53 0.00 0.00 176.83 175.84 1l8y h GLU 69 N 0.28 0.00 0.00 2.24 4.39 -0.08 -0.50 114.58 120.91 1l8y h GLU 69 Ca 0.56 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.26 1l8y h GLU 69 Cb 1.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.30 1l8y h GLU 69 CO -0.20 0.14 0.00 -1.33 -1.16 0.00 0.00 179.01 176.46 1l8y n MET 70 N -3.34 0.00 -1.40 2.33 2.81 0.26 -4.22 117.12 113.56 1l8y n MET 70 Ca -0.00 0.14 -0.33 0.00 -1.81 0.00 0.00 57.70 55.70 1l8y n MET 70 Cb 0.35 -0.83 0.08 0.00 -0.71 0.00 0.00 33.22 32.11 1l8y n MET 70 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1l8y n ARG 71 N -0.92 2.76 -2.70 0.03 3.00 -1.20 -4.49 116.66 113.15 1l8y n ARG 71 Ca 0.00 -3.38 -0.06 0.00 -0.01 0.00 0.00 57.85 54.40 1l8y n ARG 71 Cb 0.00 -2.28 0.09 0.00 0.00 0.00 0.00 32.46 30.27 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 -0.91 -0.55 -0.18 7.54 0.00 -0.20 -4.96 120.51 121.26 1l8y n ALA 72 Ca 0.60 -1.07 -0.02 0.00 0.00 0.00 0.00 53.44 52.95 1l8y n ALA 72 Cb 0.76 -1.31 0.08 0.00 0.00 0.00 0.00 19.45 18.98 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 2.14 0.42 -0.96 0.00 0.11 -1.73 -1.39 132.00 130.59 1l8y h PRO 73 Ca -0.29 -0.03 -0.29 0.00 0.11 0.00 0.00 66.00 65.51 1l8y h PRO 73 Cb 1.22 -0.10 -0.17 0.00 0.11 0.00 0.00 31.00 32.07 1l8y h PRO 73 CO -0.03 0.28 0.36 -0.35 -0.21 0.00 0.00 178.00 178.05 1l8y n PRO 74 N -4.95 2.03 -0.72 1.05 -0.04 -1.26 -4.20 135.00 126.91 1l8y n PRO 74 Ca 0.06 -1.93 -0.02 0.00 -0.04 0.00 0.00 63.50 61.58 1l8y n PRO 74 Cb 0.21 -1.78 0.21 0.00 -0.04 0.00 0.00 33.50 32.09 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 -0.42 3.99 -2.63 0.55 0.00 -0.52 -3.56 120.51 117.92 1l8y n ALA 75 Ca 0.35 -2.93 -0.43 0.00 0.00 0.00 0.00 53.44 50.43 1l8y n ALA 75 Cb 1.20 -0.74 0.01 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.00 5.07 -2.90 0.00 0.00 -1.26 -4.57 120.51 115.84 1l8y n ALA 76 Ca 0.31 -4.44 -0.12 0.00 0.00 0.00 0.00 53.44 49.19 1l8y n ALA 76 Cb 1.01 -2.81 0.06 0.00 0.00 0.00 0.00 19.45 17.70 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 2.98 -6.92 -1.89 0.00 -1.04 -1.26 -3.06 114.28 103.10 1l8y n THR 77 Ca 0.35 -0.94 -0.12 0.00 -2.04 0.00 0.00 64.05 61.31 1l8y n THR 77 Cb 0.36 -5.53 -0.02 0.00 -1.82 0.00 0.00 70.33 63.32 1l8y n THR 77 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1l8y n ASN 78 N -2.81 -4.00 -3.35 8.00 5.15 -1.26 0.78 115.26 117.77 1l8y n ASN 78 Ca -0.08 0.10 -0.23 0.00 -0.60 0.00 0.00 54.58 53.77 1l8y n ASN 78 Cb 0.60 -2.96 -0.00 0.00 -0.53 0.00 0.00 39.78 36.89 1l8y n ASN 78 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1l8y n SER 79 N -0.10 -3.75 0.00 1.20 3.41 -1.17 -4.47 113.62 108.74 1l8y n SER 79 Ca -0.13 -0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.10 1l8y n SER 79 Cb 0.52 -3.10 0.00 0.00 -0.26 0.00 0.00 64.21 61.37 1l8y n SER 79 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1l8y n SER 80 N -2.29 0.00 -0.76 4.04 7.64 -1.14 -4.99 113.62 116.13 1l8y n SER 80 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1l8y n SER 80 Cb 0.54 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 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 -1.43 -2.17 -1.63 1.43 5.02 0.23 -4.57 118.16 115.05 1l8y n LYS 81 Ca 0.00 1.62 -0.15 0.00 -2.02 0.00 0.00 58.31 57.76 1l8y n LYS 81 Cb 0.00 -1.83 -0.09 0.00 -0.02 0.00 0.00 35.03 33.09 1l8y n LYS 81 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1l8y s LYS 82 N -4.93 1.46 0.15 1.97 1.02 -1.26 -4.88 119.74 113.27 1l8y s LYS 82 Ca 0.00 -0.04 0.03 0.00 0.02 0.00 0.00 55.97 55.97 1l8y s LYS 82 Cb 0.00 -4.91 0.03 0.00 -0.52 0.00 0.00 37.83 32.43 1l8y s LYS 82 CO 0.00 -4.91 0.21 1.28 -0.92 0.00 0.00 175.35 171.01 1l8y n LEU 83 N 18.85 0.00 0.00 3.17 7.99 -1.26 -5.27 117.00 140.48 1l8y n LEU 83 Ca 0.44 -0.67 0.00 0.00 -0.01 0.00 0.00 56.01 55.77 1l8y n LEU 83 Cb 0.45 -0.11 0.00 0.00 -0.11 0.00 0.00 43.42 43.65 1l8y n LEU 83 CO 0.57 -0.55 0.00 1.21 -1.51 0.00 0.00 177.39 177.12