#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 -2.66 -3.48 1.61 3.00 0.99 -4.82 118.16 112.80 1l8y n LYS 2 Ca 0.00 1.88 -0.21 0.00 -0.00 0.00 0.00 58.31 59.98 1l8y n LYS 2 Cb 0.00 -3.24 0.06 0.00 0.00 0.00 0.00 35.03 31.85 1l8y n LYS 2 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1l8y n LEU 3 N -3.91 -4.22 -4.59 3.14 -0.00 -1.26 -4.54 117.00 101.62 1l8y n LEU 3 Ca -0.01 -0.82 -0.42 0.00 -0.00 0.00 0.00 56.01 54.76 1l8y n LEU 3 Cb 0.66 -2.86 -0.03 0.00 -0.00 0.00 0.00 43.42 41.19 1l8y n LEU 3 CO 0.02 0.29 1.40 -2.84 -0.00 0.00 0.00 177.39 176.26 1l8y s PRO 4 N -5.23 3.30 0.03 1.47 0.02 -1.26 -4.86 135.00 128.46 1l8y s PRO 4 Ca 0.35 0.98 -0.17 0.00 0.02 0.00 0.00 61.00 62.18 1l8y s PRO 4 Cb -0.08 -4.16 -0.24 0.00 0.02 0.00 0.00 34.50 30.04 1l8y s PRO 4 CO 0.79 -1.91 1.13 1.49 -0.33 0.00 0.00 177.00 178.17 1l8y h GLU 5 N 12.19 0.53 -4.76 5.54 4.81 -1.89 -3.49 114.58 127.50 1l8y h GLU 5 Ca -0.29 -0.59 0.01 0.00 -0.13 0.00 0.00 59.36 58.35 1l8y h GLU 5 Cb 1.13 0.17 -0.10 0.00 0.63 0.00 0.00 28.75 30.58 1l8y h GLU 5 CO 1.10 1.21 -1.39 0.43 -0.73 0.00 0.00 179.01 179.64 1l8y n SER 6 N -4.05 -1.83 -2.76 1.04 7.64 -1.26 -5.02 113.62 107.38 1l8y n SER 6 Ca -0.11 1.32 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1l8y n SER 6 Cb 0.78 -4.91 0.00 0.00 -1.01 0.00 0.00 64.21 59.07 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 1.59 2.20 -0.88 1.43 -0.02 -1.26 -5.00 135.00 133.06 1l8y n PRO 7 Ca -0.33 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.14 1l8y n PRO 7 Cb 0.51 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.98 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 0.00 0.00 0.00 -0.52 4.76 -0.68 -5.00 118.16 116.72 1l8y n LYS 8 Ca 0.00 -1.03 0.00 0.00 -2.87 0.00 0.00 58.31 54.41 1l8y n LYS 8 Cb 0.00 -0.02 0.00 0.00 -1.84 0.00 0.00 35.03 33.17 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 0.13 0.00 0.00 1.97 5.12 0.33 -3.60 116.66 120.62 1l8y n ARG 9 Ca -0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 1l8y n ARG 9 Cb 0.77 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.07 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 4.23 -0.03 0.28 7.54 0.00 -1.20 -2.38 120.51 128.95 1l8y n ALA 10 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1l8y n ALA 10 Cb 0.00 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.16 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 -1.70 -2.22 114.58 115.73 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 0.00 -0.17 2.33 4.22 0.39 -2.26 114.58 119.09 1l8y h GLU 12 Ca 0.00 0.00 0.05 0.00 0.08 0.00 0.00 59.36 59.49 1l8y h GLU 12 Cb 0.58 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.77 1l8y h GLU 12 CO 0.00 0.00 -0.20 0.97 -2.18 0.00 0.00 179.01 177.60 1l8y h ILE 13 N -0.54 0.48 0.62 2.32 6.09 -0.53 -2.70 117.51 123.25 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 0.48 0.01 0.00 0.47 0.00 0.00 36.82 37.79 1l8y h ILE 13 CO 0.00 0.00 -0.30 -0.25 -3.07 0.00 0.00 178.15 174.53 1l8y h TRP 14 N -0.24 -0.77 -0.26 2.19 7.01 -1.60 -1.94 115.95 120.34 1l8y h TRP 14 Ca 0.11 -0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.12 1l8y h TRP 14 Cb 0.41 0.26 -0.04 0.00 -2.10 0.00 0.00 29.16 27.68 1l8y h TRP 14 CO -0.33 -0.48 -0.26 0.37 -2.79 0.00 0.00 178.44 174.95 1l8y h GLN 15 N -1.22 -0.13 -0.47 2.65 4.15 -1.43 1.07 115.11 119.73 1l8y h GLN 15 Ca -0.09 0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.48 1l8y h GLN 15 Cb 0.64 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.34 1l8y h GLN 15 CO 0.14 -0.09 0.48 1.96 -1.93 0.00 0.00 178.83 179.39 1l8y h GLN 16 N -0.14 0.00 0.05 1.69 1.08 -1.61 0.96 115.11 117.14 1l8y h GLN 16 Ca 0.04 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.04 1l8y h GLN 16 Cb 0.25 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.70 1l8y h GLN 16 CO -0.31 0.00 -0.83 0.77 -0.95 0.00 0.00 178.83 177.51 1l8y h SER 17 N 0.00 0.65 0.00 1.46 0.02 0.16 -3.36 113.55 112.48 1l8y h SER 17 Ca 0.22 -0.80 -0.19 0.00 -0.84 0.00 0.00 61.79 60.18 1l8y h SER 17 Cb 1.19 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.50 1l8y h SER 17 CO -0.00 1.38 -1.39 1.33 -1.14 0.00 0.00 176.83 177.00 1l8y n VAL 18 N -4.07 1.50 -0.53 2.27 0.24 0.25 -4.41 118.33 113.57 1l8y n VAL 18 Ca -0.12 -0.03 0.42 0.00 -2.04 0.00 0.00 64.34 62.57 1l8y n VAL 18 Cb 0.79 -2.15 0.67 0.00 -1.47 0.00 0.00 33.84 31.68 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 -4.43 -0.11 -0.21 1.34 3.06 0.31 0.16 119.36 119.49 1l8y n ILE 19 Ca -0.28 1.46 -0.09 0.00 -2.50 0.00 0.00 62.75 61.34 1l8y n ILE 19 Cb 0.60 -2.42 0.04 0.00 0.54 0.00 0.00 39.64 38.41 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 1.14 1.73 4.50 0.00 -1.71 0.84 103.07 109.57 1l8y h GLY 20 Ca 0.81 -0.83 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1l8y h GLY 20 CO -0.20 0.77 -0.33 -1.80 0.00 0.00 0.00 176.54 174.97 1l8y h ASP 21 N 0.97 0.00 0.11 0.19 3.58 0.14 -2.64 116.42 118.76 1l8y h ASP 21 Ca 0.17 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.39 1l8y h ASP 21 Cb 0.56 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.61 1l8y h ASP 21 CO 0.03 0.06 -1.16 1.88 -2.88 0.00 0.00 179.24 177.17 1l8y h TYR 22 N 0.00 0.41 0.00 0.28 0.05 -0.80 -3.04 116.97 113.87 1l8y h TYR 22 Ca -0.01 -0.30 -0.06 0.00 0.05 0.00 0.00 58.73 58.41 1l8y h TYR 22 Cb 1.05 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.77 1l8y h TYR 22 CO 0.00 1.45 -0.29 -0.07 -1.05 0.00 0.00 178.16 178.20 1l8y h LEU 23 N -0.41 0.00 0.13 3.88 3.38 0.60 -3.19 115.31 119.69 1l8y h LEU 23 Ca -0.25 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1l8y h LEU 23 Cb 1.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.40 1l8y h LEU 23 CO 0.06 0.29 -0.06 0.00 0.09 0.00 0.00 178.44 178.82 1l8y h ALA 24 N 1.71 -0.17 -1.21 1.53 0.00 -1.57 0.35 119.26 119.90 1l8y h ALA 24 Ca -0.00 -0.23 0.43 0.00 0.00 0.00 0.00 54.91 55.10 1l8y h ALA 24 Cb 0.65 0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.36 1l8y h ALA 24 CO 0.04 -0.33 0.75 0.07 0.00 0.00 0.00 179.25 179.78 1l8y h ARG 25 N -0.71 0.08 0.00 0.00 0.11 -1.51 0.34 114.38 112.68 1l8y h ARG 25 Ca -0.02 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1l8y h ARG 25 Cb 0.52 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.59 1l8y h ARG 25 CO 0.03 0.05 -0.08 0.34 0.10 0.00 0.00 179.97 180.41 1l8y n PHE 26 N -4.89 0.00 -4.06 4.08 7.35 -1.24 -5.01 117.46 113.70 1l8y n PHE 26 Ca 0.37 -0.63 -0.35 0.00 -0.76 0.00 0.00 57.45 56.09 1l8y n PHE 26 Cb 1.37 -0.10 -0.02 0.00 0.35 0.00 0.00 39.48 41.08 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 -0.85 -1.33 0.00 -4.13 0.00 0.11 -4.05 118.16 107.92 1l8y n LYS 27 Ca 0.08 0.21 0.00 0.00 0.00 0.00 0.00 58.31 58.60 1l8y n LYS 27 Cb 0.53 -3.56 0.00 0.00 0.00 0.00 0.00 35.03 32.00 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 -2.66 0.00 0.00 3.14 2.85 0.10 -5.01 115.26 113.69 1l8y n ASN 28 Ca -0.22 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.34 1l8y n ASN 28 Cb 0.64 0.00 0.48 0.00 1.24 0.00 0.00 39.78 42.14 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 0.00 0.00 0.00 1.20 2.03 -1.20 -4.32 116.55 114.26 1l8y n ASP 29 Ca 0.00 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1l8y n ASP 29 Cb 0.00 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 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 -1.27 0.00 -0.22 -0.67 0.00 -1.26 0.22 116.66 113.46 1l8y n ARG 30 Ca 0.09 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.91 1l8y n ARG 30 Cb 0.15 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.63 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 0.19 0.00 5.15 2.07 -1.98 0.51 116.25 122.19 1l8y h VAL 31 Ca 0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 1l8y h VAL 31 Cb 0.00 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 1l8y h VAL 31 CO 0.00 0.00 -0.85 0.11 0.02 0.00 0.00 177.57 176.85 1l8y h LYS 32 N -0.12 0.00 0.31 1.57 1.79 0.24 -3.33 116.57 117.02 1l8y h LYS 32 Ca 0.26 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.71 1l8y h LYS 32 Cb 0.55 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 1l8y h LYS 32 CO -0.70 0.45 -0.15 0.00 -1.08 0.00 0.00 179.45 177.97 1l8y h ALA 33 N 1.45 -0.41 -0.55 3.86 0.00 0.18 0.35 119.26 124.13 1l8y h ALA 33 Ca -0.06 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.82 1l8y h ALA 33 Cb 1.47 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 19.35 1l8y h ALA 33 CO 0.06 -0.70 0.16 1.25 0.00 0.00 0.00 179.25 180.03 1l8y h LEU 34 N -0.49 0.12 -0.22 0.00 6.46 -0.24 -1.88 115.31 119.05 1l8y h LEU 34 Ca -0.04 0.08 -0.10 0.00 -0.12 0.00 0.00 57.88 57.70 1l8y h LEU 34 Cb 0.37 0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.38 1l8y h LEU 34 CO 0.07 0.08 -0.24 0.11 -0.62 0.00 0.00 178.44 177.84 1l8y h LYS 35 N 0.32 0.56 -0.53 1.25 1.79 -1.64 1.03 116.57 119.35 1l8y h LYS 35 Ca 0.28 -0.30 0.15 0.00 -2.18 0.00 0.00 60.65 58.60 1l8y h LYS 35 Cb 0.35 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.00 1l8y h LYS 35 CO -0.31 0.89 0.53 0.00 -1.08 0.00 0.00 179.45 179.48 1l8y h ALA 36 N 0.66 2.30 0.00 3.86 0.00 0.24 -0.94 119.26 125.37 1l8y h ALA 36 Ca 0.03 -0.02 -0.39 0.00 0.00 0.00 0.00 54.91 54.53 1l8y h ALA 36 Cb 0.80 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 1l8y h ALA 36 CO 0.06 -0.80 -2.47 -0.12 0.00 0.00 0.00 179.25 175.92 1l8y n MET 37 N -3.78 0.64 0.15 0.00 0.00 -0.76 -3.91 117.12 109.46 1l8y n MET 37 Ca 0.10 0.15 -0.06 0.00 -0.00 0.00 0.00 57.70 57.90 1l8y n MET 37 Cb 0.73 -1.51 -0.03 0.00 0.00 0.00 0.00 33.22 32.41 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 -0.05 -0.37 -0.93 2.12 4.81 0.22 -1.70 114.58 118.66 1l8y h GLU 38 Ca -0.58 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 58.72 1l8y h GLU 38 Cb 1.88 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 31.28 1l8y h GLU 38 CO -0.11 -0.25 0.60 0.52 -0.73 0.00 0.00 179.01 179.04 1l8y h MET 39 N -0.39 1.08 0.00 1.92 2.86 -1.45 0.40 114.93 119.35 1l8y h MET 39 Ca -0.04 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1l8y h MET 39 Cb 0.30 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 1l8y h MET 39 CO 0.06 0.72 -0.00 1.15 1.06 0.00 0.00 176.91 179.90 1l8y h THR 40 N 1.12 0.04 0.00 2.22 2.02 -1.64 -2.23 112.91 114.43 1l8y h THR 40 Ca 0.39 -0.07 -0.46 0.00 0.77 0.00 0.00 66.41 67.05 1l8y h THR 40 Cb 0.10 1.06 -0.07 0.00 -1.74 0.00 0.00 68.15 67.50 1l8y h THR 40 CO -0.15 0.00 -2.51 1.87 0.37 0.00 0.00 175.52 175.10 1l8y n TRP 41 N -3.13 0.00 0.09 3.16 -0.00 -0.25 -4.43 117.44 112.88 1l8y n TRP 41 Ca -0.03 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.53 1l8y n TRP 41 Cb 0.10 -0.97 0.28 0.00 -0.00 0.00 0.00 31.31 30.72 1l8y n TRP 41 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 1l8y n ASN 42 N -4.21 0.27 0.07 5.87 2.85 0.12 -0.62 115.26 119.61 1l8y n ASN 42 Ca -0.53 0.56 0.06 0.00 -0.11 0.00 0.00 54.58 54.56 1l8y n ASN 42 Cb 0.88 -0.57 -0.04 0.00 1.24 0.00 0.00 39.78 41.28 1l8y n ASN 42 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1l8y h ASN 43 N 0.00 0.00 0.74 1.20 7.08 -1.62 -3.36 115.58 119.63 1l8y h ASN 43 Ca 0.00 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.18 1l8y h ASN 43 Cb 0.22 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.45 1l8y h ASN 43 CO 0.00 0.29 -1.29 0.80 -2.08 0.00 0.00 177.43 175.14 1l8y n MET 44 N -2.79 0.62 0.00 4.14 1.56 0.20 -5.05 117.12 115.81 1l8y n MET 44 Ca -0.05 0.08 0.00 0.00 -0.27 0.00 0.00 57.70 57.47 1l8y n MET 44 Cb 0.69 -1.76 0.00 0.00 2.15 0.00 0.00 33.22 34.30 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 -2.65 0.00 -0.10 2.12 2.13 -1.09 -2.50 120.64 118.55 1l8y n GLU 45 Ca -0.03 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.87 1l8y n GLU 45 Cb 0.62 0.00 0.14 0.00 0.27 0.00 0.00 31.44 32.48 1l8y n GLU 45 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1l8y n LYS 46 N 0.00 -0.01 0.06 5.31 0.00 -1.26 -1.21 118.16 121.05 1l8y n LYS 46 Ca 0.00 0.27 -0.03 0.00 0.00 0.00 0.00 58.31 58.55 1l8y n LYS 46 Cb 0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 35.03 34.48 1l8y n LYS 46 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1l8y h LYS 47 N 0.00 -0.19 0.04 1.64 3.11 -1.90 -3.16 116.57 116.11 1l8y h LYS 47 Ca 0.19 0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 58.04 1l8y h LYS 47 Cb 0.60 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.88 1l8y h LYS 47 CO -0.10 -0.13 -0.02 0.93 -2.81 0.00 0.00 179.45 177.32 1l8y h GLU 48 N -0.20 -0.05 -0.41 1.90 3.07 -1.29 -3.35 114.58 114.26 1l8y h GLU 48 Ca -0.01 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.91 1l8y h GLU 48 Cb 0.17 0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 28.02 1l8y h GLU 48 CO -0.01 -0.03 -0.17 1.63 -1.40 0.00 0.00 179.01 179.03 1l8y n LYS 49 N -2.34 -0.10 -0.13 2.33 4.01 -1.16 0.94 118.16 121.70 1l8y n LYS 49 Ca -0.01 0.64 -0.04 0.00 -0.51 0.00 0.00 58.31 58.39 1l8y n LYS 49 Cb 0.02 -0.95 0.04 0.00 -0.51 0.00 0.00 35.03 33.63 1l8y n LYS 49 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1l8y h LEU 50 N 0.00 0.04 -0.66 -0.35 -0.00 -1.72 -1.20 115.31 111.42 1l8y h LEU 50 Ca 0.14 0.07 -0.14 0.00 -0.00 0.00 0.00 57.88 57.95 1l8y h LEU 50 Cb 0.24 0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.98 1l8y h LEU 50 CO -0.41 0.06 -0.47 0.24 -0.00 0.00 0.00 178.44 177.86 1l8y h MET 51 N 0.24 0.48 -0.24 1.13 0.00 0.44 -2.74 114.93 114.24 1l8y h MET 51 Ca 0.21 -0.27 -0.04 0.00 0.00 0.00 0.00 59.70 59.60 1l8y h MET 51 Cb 0.24 0.02 -0.01 0.00 0.00 0.00 0.00 31.60 31.85 1l8y h MET 51 CO -0.26 0.85 -0.02 -1.49 0.00 0.00 0.00 176.91 175.99 1l8y h TRP 52 N 0.39 0.37 0.38 -0.22 4.06 -0.78 -2.38 115.95 117.77 1l8y h TRP 52 Ca 0.02 -0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 1l8y h TRP 52 Cb 0.97 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 29.00 1l8y h TRP 52 CO 0.03 0.39 -0.36 0.82 -3.56 0.00 0.00 178.44 175.77 1l8y h ILE 53 N 0.35 0.00 -0.30 1.49 2.04 -0.92 -1.52 117.51 118.65 1l8y h ILE 53 Ca 0.08 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.03 1l8y h ILE 53 Cb 0.27 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1l8y h ILE 53 CO 0.01 0.00 0.42 0.50 0.00 0.00 0.00 178.15 179.07 1l8y h LYS 54 N -0.73 0.00 0.67 2.37 1.63 -1.43 1.89 116.57 120.97 1l8y h LYS 54 Ca -0.05 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 1l8y h LYS 54 Cb 0.62 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.26 1l8y h LYS 54 CO -0.03 0.00 -0.32 -0.22 -3.45 0.00 0.00 179.45 175.43 1l8y h LYS 55 N 0.00 -0.87 0.00 1.90 3.11 -0.77 1.26 116.57 121.20 1l8y h LYS 55 Ca 0.14 0.06 0.00 0.00 -2.81 0.00 0.00 60.65 58.04 1l8y h LYS 55 Cb 0.97 0.20 0.00 0.00 -1.00 0.00 0.00 32.23 32.40 1l8y h LYS 55 CO -0.00 -0.58 0.00 0.00 -2.81 0.00 0.00 179.45 176.06 1l8y h ALA 56 N -1.35 1.00 0.02 5.00 0.00 -0.94 -2.17 119.26 120.83 1l8y h ALA 56 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.60 1l8y h ALA 56 Cb 0.69 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1l8y h ALA 56 CO 0.15 0.00 -0.97 0.00 0.00 0.00 0.00 179.25 178.43 1l8y h ALA 57 N 2.10 0.38 0.00 0.00 0.00 0.30 2.18 119.26 124.22 1l8y h ALA 57 Ca 0.00 -0.75 -0.05 0.00 0.00 0.00 0.00 54.91 54.12 1l8y h ALA 57 Cb 0.86 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1l8y h ALA 57 CO 0.00 0.89 -0.22 1.49 0.00 0.00 0.00 179.25 181.40 1l8y h GLU 58 N 0.16 0.00 0.00 0.00 4.57 0.18 -1.87 114.58 117.61 1l8y h GLU 58 Ca -0.07 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 57.95 1l8y h GLU 58 Cb 1.62 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.18 1l8y h GLU 58 CO 0.16 0.22 -1.35 -0.44 -1.18 0.00 0.00 179.01 176.43 1l8y h ASP 59 N 0.00 0.00 -0.39 1.04 5.19 -0.72 -3.36 116.42 118.19 1l8y h ASP 59 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1l8y h ASP 59 Cb 0.67 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.16 1l8y h ASP 59 CO 0.03 0.56 0.26 -0.61 -3.12 0.00 0.00 179.24 176.36 1l8y h GLN 60 N 0.00 0.51 -0.91 3.56 4.15 0.44 -2.74 115.11 120.13 1l8y h GLN 60 Ca -0.15 -0.03 0.25 0.00 0.77 0.00 0.00 58.65 59.49 1l8y h GLN 60 Cb 1.56 -0.12 -0.15 0.00 0.21 0.00 0.00 27.48 28.99 1l8y h GLN 60 CO 0.05 0.34 0.25 1.57 -1.93 0.00 0.00 178.83 179.10 1l8y h LYS 61 N 0.53 0.18 -0.62 1.69 2.10 -1.70 0.16 116.57 118.91 1l8y h LYS 61 Ca 0.14 -0.01 0.13 0.00 -2.00 0.00 0.00 60.65 58.91 1l8y h LYS 61 Cb -0.06 -0.04 -0.10 0.00 -0.90 0.00 0.00 32.23 31.13 1l8y h LYS 61 CO -0.03 0.12 0.04 -0.09 -2.00 0.00 0.00 179.45 177.49 1l8y h ARG 62 N 0.18 0.15 -0.66 0.07 2.43 -1.77 -0.18 114.38 114.61 1l8y h ARG 62 Ca 0.59 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.77 1l8y h ARG 62 Cb 1.22 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.70 1l8y h ARG 62 CO -0.69 0.10 0.42 0.10 -1.51 0.00 0.00 179.97 178.40 1l8y h TYR 63 N 0.16 0.80 -0.78 2.20 -0.00 -0.85 -1.59 116.97 116.91 1l8y h TYR 63 Ca 0.33 0.02 0.23 0.00 0.00 0.00 0.00 58.73 59.30 1l8y h TYR 63 Cb 0.52 -0.26 -0.03 0.00 0.00 0.00 0.00 36.73 36.96 1l8y h TYR 63 CO -0.33 0.47 0.70 1.49 -0.00 0.00 0.00 178.16 180.49 1l8y h GLU 64 N 0.84 0.00 0.00 0.10 4.81 -0.75 0.97 114.58 120.55 1l8y h GLU 64 Ca 0.26 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.46 1l8y h GLU 64 Cb -0.03 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 1l8y h GLU 64 CO -0.09 0.00 -0.12 -0.09 -0.73 0.00 0.00 179.01 177.98 1l8y h ARG 65 N 0.00 0.00 0.00 1.92 2.43 -1.14 -2.18 114.38 115.41 1l8y h ARG 65 Ca 0.37 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 1l8y h ARG 65 Cb 1.76 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.31 1l8y h ARG 65 CO -0.00 0.12 0.00 0.39 -1.51 0.00 0.00 179.97 178.97 1l8y n GLU 66 N -3.28 0.00 -0.19 0.20 -0.58 0.34 -3.35 120.64 113.77 1l8y n GLU 66 Ca 0.00 0.26 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 1l8y n GLU 66 Cb 0.36 -1.11 0.11 0.00 -0.57 0.00 0.00 31.44 30.23 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 0.04 -0.99 -4.62 8.10 -1.67 0.31 115.31 116.49 1l8y h LEU 67 Ca 0.00 0.10 0.34 0.00 0.11 0.00 0.00 57.88 58.44 1l8y h LEU 67 Cb 0.00 0.13 -0.10 0.00 -0.44 0.00 0.00 40.66 40.25 1l8y h LEU 67 CO 0.00 0.03 0.63 -0.24 -4.11 0.00 0.00 178.44 174.75 1l8y n SER 68 N -5.10 0.16 -0.45 0.17 2.88 -0.82 0.75 113.62 111.22 1l8y n SER 68 Ca 0.09 1.01 0.41 0.00 -1.33 0.00 0.00 58.87 59.05 1l8y n SER 68 Cb 0.31 -0.50 0.78 0.00 -0.75 0.00 0.00 64.21 64.05 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 0.00 0.00 -0.08 -1.46 5.08 -1.27 0.33 114.58 117.18 1l8y h GLU 69 Ca 0.64 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.96 1l8y h GLU 69 Cb 2.04 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.28 1l8y h GLU 69 CO -0.35 0.00 -0.09 1.98 -1.00 0.00 0.00 179.01 179.55 1l8y h MET 70 N 0.00 0.21 -1.03 2.33 4.05 0.11 -3.22 114.93 117.39 1l8y h MET 70 Ca 0.68 -0.11 -0.64 0.00 -0.28 0.00 0.00 59.70 59.35 1l8y h MET 70 Cb 2.75 0.01 -0.28 0.00 -0.80 0.00 0.00 31.60 33.27 1l8y h MET 70 CO -0.01 0.64 0.82 -2.13 0.23 0.00 0.00 176.91 176.47 1l8y n ARG 71 N -4.67 2.58 -2.80 0.39 0.63 0.11 -4.48 116.66 108.41 1l8y n ARG 71 Ca -0.07 -3.15 -0.11 0.00 -0.92 0.00 0.00 57.85 53.59 1l8y n ARG 71 Cb 0.32 -2.24 0.02 0.00 0.45 0.00 0.00 32.46 31.01 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 -0.88 2.95 -0.18 5.13 0.00 -0.56 -4.95 120.51 122.02 1l8y n ALA 72 Ca 0.61 -3.14 -0.02 0.00 0.00 0.00 0.00 53.44 50.88 1l8y n ALA 72 Cb 0.79 -0.94 0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 2.98 0.40 -0.96 0.00 0.11 -1.78 -1.27 132.00 131.47 1l8y h PRO 73 Ca -0.05 -0.02 -0.28 0.00 0.11 0.00 0.00 66.00 65.76 1l8y h PRO 73 Cb 1.13 -0.09 -0.17 0.00 0.11 0.00 0.00 31.00 31.98 1l8y h PRO 73 CO 0.48 0.27 0.35 -0.35 -0.21 0.00 0.00 178.00 178.54 1l8y n PRO 74 N -4.97 2.02 -1.55 1.05 -0.04 -1.26 -4.15 135.00 126.10 1l8y n PRO 74 Ca 0.06 -1.89 -0.06 0.00 -0.04 0.00 0.00 63.50 61.56 1l8y n PRO 74 Cb 0.21 -1.77 0.09 0.00 -0.04 0.00 0.00 33.50 31.99 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 -0.40 3.88 -1.00 0.55 0.00 -0.48 -4.79 120.51 118.27 1l8y n ALA 75 Ca 0.35 -3.30 0.00 0.00 0.00 0.00 0.00 53.44 50.49 1l8y n ALA 75 Cb 1.18 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 20.18 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 -0.69 0.00 0.90 0.00 0.00 -1.26 -4.75 120.51 114.71 1l8y n ALA 76 Ca 0.25 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.78 1l8y n ALA 76 Cb 0.87 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.77 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 0.00 0.30 -0.06 0.00 5.66 -1.26 -2.88 114.28 116.03 1l8y n THR 77 Ca 0.00 0.07 -0.06 0.00 -3.05 0.00 0.00 64.05 61.01 1l8y n THR 77 Cb 0.00 -0.80 0.13 0.00 -1.55 0.00 0.00 70.33 68.10 1l8y n THR 77 CO 0.00 0.00 0.00 -1.13 -3.05 0.00 0.00 175.07 170.89 1l8y h ASN 78 N 0.00 0.70 -0.68 1.09 -0.73 -1.92 0.09 115.58 114.13 1l8y h ASN 78 Ca 0.00 -0.23 0.01 0.00 1.87 0.00 0.00 56.30 57.95 1l8y h ASN 78 Cb 0.09 -0.19 -0.04 0.00 0.27 0.00 0.00 38.32 38.45 1l8y h ASN 78 CO 0.00 0.89 0.45 0.28 -0.37 0.00 0.00 177.43 178.68 1l8y h SER 79 N 0.62 0.77 -0.61 1.15 0.02 -1.82 -2.36 113.55 111.31 1l8y h SER 79 Ca 0.09 -0.02 -0.20 0.00 -0.84 0.00 0.00 61.79 60.83 1l8y h SER 79 Cb 0.67 -0.19 -0.12 0.00 0.14 0.00 0.00 62.40 62.90 1l8y h SER 79 CO 0.05 0.55 0.20 -0.24 -1.14 0.00 0.00 176.83 176.25 1l8y n SER 80 N -4.62 4.15 -0.07 3.07 2.88 -1.13 -2.98 113.62 114.91 1l8y n SER 80 Ca 0.06 -3.33 -0.13 0.00 -1.33 0.00 0.00 58.87 54.15 1l8y n SER 80 Cb 0.03 -0.70 -0.10 0.00 -0.75 0.00 0.00 64.21 62.68 1l8y n SER 80 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1l8y h LYS 81 N 2.06 0.00 -0.00 -1.46 1.79 -0.41 -3.42 116.57 115.13 1l8y h LYS 81 Ca 0.25 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.55 1l8y h LYS 81 Cb 2.12 0.00 -0.37 0.00 -1.58 0.00 0.00 32.23 32.40 1l8y h LYS 81 CO 0.62 0.82 -1.01 0.36 -1.08 0.00 0.00 179.45 179.17 1l8y n LYS 82 N -4.61 0.10 -2.80 3.15 2.85 -1.26 -5.05 118.16 110.53 1l8y n LYS 82 Ca -0.12 -2.08 -0.05 0.00 -1.05 0.00 0.00 58.31 55.02 1l8y n LYS 82 Cb 0.43 -0.10 0.01 0.00 -0.65 0.00 0.00 35.03 34.72 1l8y n LYS 82 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1l8y n LEU 83 N 0.40 -7.88 0.00 -5.58 4.32 -1.25 -5.16 117.00 101.84 1l8y n LEU 83 Ca 0.07 0.95 0.15 0.00 -0.02 0.00 0.00 56.01 57.15 1l8y n LEU 83 Cb 1.12 -3.34 0.87 0.00 -1.62 0.00 0.00 43.42 40.45 1l8y n LEU 83 CO -0.04 -2.73 1.04 1.21 -1.22 0.00 0.00 177.39 175.65