#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 -3.79 1.61 5.02 0.76 -4.87 118.16 116.89 1l8y n LYS 2 Ca 0.00 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 1l8y n LYS 2 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 34.88 1l8y n LYS 2 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1l8y s LEU 3 N 0.00 4.13 -0.59 -0.35 2.34 -1.26 -4.41 118.68 118.53 1l8y s LEU 3 Ca 0.00 -1.10 -0.28 0.00 0.06 0.00 0.00 54.13 52.81 1l8y s LEU 3 Cb 0.00 -1.83 0.03 0.00 -0.56 0.00 0.00 46.19 43.83 1l8y s LEU 3 CO 0.00 -0.29 1.24 -2.16 -1.06 0.00 0.00 176.35 174.09 1l8y s PRO 4 N 1.38 3.44 -0.00 1.48 0.04 -1.26 -4.78 135.00 135.30 1l8y s PRO 4 Ca -0.02 0.24 -0.25 0.00 0.04 0.00 0.00 61.00 61.01 1l8y s PRO 4 Cb -0.19 -4.05 -0.19 0.00 0.04 0.00 0.00 34.50 30.11 1l8y s PRO 4 CO 0.02 -1.78 1.31 1.49 0.04 0.00 0.00 177.00 178.07 1l8y h GLU 5 N 9.88 0.07 -2.72 4.56 4.81 -1.92 -3.48 114.58 125.78 1l8y h GLU 5 Ca -0.26 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1l8y h GLU 5 Cb 1.06 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1l8y h GLU 5 CO 1.20 0.51 0.00 0.43 -0.73 0.00 0.00 179.01 180.41 1l8y n SER 6 N -4.81 -1.81 -3.36 1.04 7.64 -1.26 -5.08 113.62 105.98 1l8y n SER 6 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1l8y n SER 6 Cb 0.26 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 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 -0.62 1.17 -1.02 1.43 -0.02 -1.26 -5.00 135.00 129.67 1l8y n PRO 7 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1l8y n PRO 7 Cb 0.17 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.64 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 -0.24 0.00 0.00 -0.52 3.00 -1.18 -5.01 118.16 114.21 1l8y n LYS 8 Ca 0.00 -1.28 0.00 0.00 -0.00 0.00 0.00 58.31 57.03 1l8y n LYS 8 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 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 0.20 0.00 0.00 1.64 5.12 0.72 -3.15 116.66 121.20 1l8y n ARG 9 Ca -0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 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 4.96 -0.04 0.08 7.54 0.00 -0.69 -2.67 120.51 129.70 1l8y n ALA 10 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.64 1l8y n ALA 10 Cb 0.00 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.12 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 4.39 -1.65 -1.85 114.58 115.47 1l8y h GLU 11 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1l8y h GLU 11 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1l8y h GLU 11 CO 0.00 0.00 -0.00 1.49 -1.16 0.00 0.00 179.01 179.34 1l8y h GLU 12 N 0.00 -0.00 -0.52 2.33 4.22 0.19 -2.18 114.58 118.62 1l8y h GLU 12 Ca 0.21 0.00 0.10 0.00 0.08 0.00 0.00 59.36 59.76 1l8y h GLU 12 Cb 1.39 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.54 1l8y h GLU 12 CO -0.00 -0.00 -0.14 0.97 -2.18 0.00 0.00 179.01 177.66 1l8y h ILE 13 N -0.00 0.46 0.33 2.32 6.09 -0.06 -2.38 117.51 124.27 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 0.46 0.00 0.00 0.47 0.00 0.00 36.82 37.75 1l8y h ILE 13 CO 0.00 0.00 -0.16 -0.25 -3.07 0.00 0.00 178.15 174.67 1l8y h TRP 14 N -0.01 -0.41 -0.25 2.19 7.01 -1.52 -1.87 115.95 121.07 1l8y h TRP 14 Ca 0.25 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.27 1l8y h TRP 14 Cb 0.40 0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 27.55 1l8y h TRP 14 CO -0.45 -0.26 -0.25 0.37 -2.79 0.00 0.00 178.44 175.07 1l8y h GLN 15 N -1.07 -0.12 -0.75 2.65 4.15 -1.39 0.84 115.11 119.42 1l8y h GLN 15 Ca -0.05 0.01 0.22 0.00 0.77 0.00 0.00 58.65 59.60 1l8y h GLN 15 Cb 0.34 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.03 1l8y h GLN 15 CO 0.07 -0.08 0.57 0.37 -1.93 0.00 0.00 178.83 177.84 1l8y h GLN 16 N -0.12 0.00 -0.06 1.69 4.15 -1.56 0.97 115.11 120.18 1l8y h GLN 16 Ca 0.04 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.23 1l8y h GLN 16 Cb 0.24 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.94 1l8y h GLN 16 CO -0.30 0.00 -0.86 1.03 -1.93 0.00 0.00 178.83 176.76 1l8y h SER 17 N 0.00 0.86 0.00 -0.69 0.87 0.12 -3.36 113.55 111.35 1l8y h SER 17 Ca 0.36 -0.70 -0.20 0.00 -1.23 0.00 0.00 61.79 60.02 1l8y h SER 17 Cb 1.50 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 63.17 1l8y h SER 17 CO -0.00 1.43 -1.35 1.33 -0.53 0.00 0.00 176.83 177.71 1l8y n VAL 18 N -3.96 1.50 -0.28 2.23 0.24 0.19 -4.41 118.33 113.85 1l8y n VAL 18 Ca -0.10 -0.03 0.25 0.00 -2.04 0.00 0.00 64.34 62.42 1l8y n VAL 18 Cb 0.79 -2.13 0.43 0.00 -1.47 0.00 0.00 33.84 31.46 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 -4.44 -0.21 -0.25 1.34 3.06 0.32 0.15 119.36 119.33 1l8y n ILE 19 Ca -0.29 1.24 -0.03 0.00 -2.50 0.00 0.00 62.75 61.17 1l8y n ILE 19 Cb 0.61 -2.03 0.08 0.00 0.54 0.00 0.00 39.64 38.85 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 1.02 1.79 4.50 0.00 -1.75 0.95 103.07 109.58 1l8y h GLY 20 Ca 0.57 -0.32 -0.15 0.00 0.00 0.00 0.00 47.33 47.43 1l8y h GLY 20 CO -0.38 0.26 -0.82 -1.80 0.00 0.00 0.00 176.54 173.81 1l8y h ASP 21 N 0.84 0.00 0.40 0.19 1.82 0.11 -2.33 116.42 117.46 1l8y h ASP 21 Ca 0.29 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.70 1l8y h ASP 21 Cb 0.05 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.06 1l8y h ASP 21 CO -0.12 0.64 -1.00 1.88 -1.61 0.00 0.00 179.24 179.03 1l8y h TYR 22 N 0.00 0.57 0.00 0.28 0.05 -0.72 -2.81 116.97 114.35 1l8y h TYR 22 Ca -0.04 -0.33 -0.04 0.00 0.05 0.00 0.00 58.73 58.37 1l8y h TYR 22 Cb 1.53 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 39.21 1l8y h TYR 22 CO 0.00 1.17 -0.19 -0.07 -1.05 0.00 0.00 178.16 178.02 1l8y h LEU 23 N 0.19 0.00 -0.21 3.88 3.38 0.86 -3.21 115.31 120.21 1l8y h LEU 23 Ca -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 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 0.17 0.19 -0.08 0.00 0.09 0.00 0.00 178.44 178.81 1l8y h ALA 24 N 1.81 0.95 0.16 1.53 0.00 -1.33 -1.48 119.26 120.91 1l8y h ALA 24 Ca -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1l8y h ALA 24 Cb 1.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1l8y h ALA 24 CO 0.02 0.10 -0.08 0.07 0.00 0.00 0.00 179.25 179.37 1l8y h ARG 25 N 0.00 -0.21 0.00 0.00 0.11 -1.50 -3.35 114.38 109.43 1l8y h ARG 25 Ca -0.00 0.01 -0.14 0.00 0.10 0.00 0.00 59.98 59.95 1l8y h ARG 25 Cb 0.99 0.05 -0.03 0.00 1.11 0.00 0.00 29.97 32.09 1l8y h ARG 25 CO 0.01 0.22 -1.45 0.34 0.10 0.00 0.00 179.97 179.19 1l8y n PHE 26 N -4.94 0.86 -1.43 4.08 -0.00 -1.26 -5.03 117.46 109.74 1l8y n PHE 26 Ca -0.08 0.28 0.00 0.00 -0.00 0.00 0.00 57.45 57.65 1l8y n PHE 26 Cb 0.27 -1.02 0.00 0.00 -0.00 0.00 0.00 39.48 38.72 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 -2.80 0.00 -1.58 -4.13 0.00 -0.60 -4.68 118.16 104.36 1l8y n LYS 27 Ca -0.09 0.48 0.00 0.00 0.00 0.00 0.00 58.31 58.70 1l8y n LYS 27 Cb 0.80 -1.43 0.00 0.00 0.00 0.00 0.00 35.03 34.39 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 -0.82 -1.22 -0.10 3.14 2.85 -0.93 -4.99 115.26 113.19 1l8y n ASN 28 Ca 0.00 0.00 0.06 0.00 -0.11 0.00 0.00 54.58 54.53 1l8y n ASN 28 Cb 0.34 -0.32 0.10 0.00 1.24 0.00 0.00 39.78 41.13 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 1.00 2.31 0.00 1.20 2.03 -1.26 -4.87 116.55 116.96 1l8y n ASP 29 Ca 0.00 -2.66 0.00 0.00 0.52 0.00 0.00 54.79 52.65 1l8y n ASP 29 Cb 0.32 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 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 -1.01 0.00 -0.30 -0.67 3.00 -1.26 -1.18 116.66 115.24 1l8y n ARG 30 Ca 0.10 0.00 0.27 0.00 -0.00 0.00 0.00 57.85 58.23 1l8y n ARG 30 Cb 0.50 0.00 0.48 0.00 0.00 0.00 0.00 32.46 33.44 1l8y n ARG 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1l8y n VAL 31 N -2.59 -0.25 0.06 5.15 0.31 -1.26 0.37 118.33 120.10 1l8y n VAL 31 Ca 0.00 1.44 -0.14 0.00 -0.01 0.00 0.00 64.34 65.63 1l8y n VAL 31 Cb 0.00 -2.35 -0.14 0.00 -0.91 0.00 0.00 33.84 30.44 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 0.19 0.27 5.55 1.57 -1.53 -3.33 116.57 119.29 1l8y h LYS 32 Ca 0.65 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1l8y h LYS 32 Cb 1.92 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 34.32 1l8y h LYS 32 CO -0.46 1.04 -0.37 0.00 -0.57 0.00 0.00 179.45 179.08 1l8y h ALA 33 N 0.62 -0.99 -1.03 3.86 0.00 0.63 0.78 119.26 123.14 1l8y h ALA 33 Ca -0.21 -0.12 0.27 0.00 0.00 0.00 0.00 54.91 54.85 1l8y h ALA 33 Cb 1.98 0.65 -0.08 0.00 0.00 0.00 0.00 17.79 20.34 1l8y h ALA 33 CO 0.15 -1.03 0.69 1.25 0.00 0.00 0.00 179.25 180.31 1l8y h LEU 34 N -0.66 0.32 0.02 0.00 6.46 -1.44 0.13 115.31 120.14 1l8y h LEU 34 Ca -0.03 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1l8y h LEU 34 Cb 0.60 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.53 1l8y h LEU 34 CO -0.10 0.07 -0.01 0.11 -0.62 0.00 0.00 178.44 177.90 1l8y h LYS 35 N 0.29 -0.03 -0.71 1.25 6.56 -1.49 1.11 116.57 123.55 1l8y h LYS 35 Ca 0.56 0.00 0.21 0.00 -1.06 0.00 0.00 60.65 60.35 1l8y h LYS 35 Cb 1.62 0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 33.26 1l8y h LYS 35 CO -0.20 0.56 0.59 0.00 -2.06 0.00 0.00 179.45 178.34 1l8y h ALA 36 N -0.36 2.57 0.04 3.86 0.00 0.13 0.36 119.26 125.86 1l8y h ALA 36 Ca -0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.58 1l8y h ALA 36 Cb 0.60 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1l8y h ALA 36 CO 0.00 -0.95 -1.64 -0.12 0.00 0.00 0.00 179.25 176.54 1l8y n MET 37 N -4.01 0.63 0.41 0.00 0.00 0.39 -3.36 117.12 111.19 1l8y n MET 37 Ca 0.14 0.44 -0.16 0.00 -0.00 0.00 0.00 57.70 58.12 1l8y n MET 37 Cb 0.85 -1.71 -0.08 0.00 0.00 0.00 0.00 33.22 32.29 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 -0.63 -1.01 0.04 2.12 4.57 0.27 0.12 114.58 120.07 1l8y h GLU 38 Ca -0.41 0.07 0.03 0.00 -1.18 0.00 0.00 59.36 57.87 1l8y h GLU 38 Cb 1.58 0.23 -0.04 0.00 -0.16 0.00 0.00 28.75 30.36 1l8y h GLU 38 CO -0.13 -0.67 -0.30 0.52 -1.18 0.00 0.00 179.01 177.24 1l8y h MET 39 N -1.05 -0.46 0.00 1.92 2.86 -0.56 0.89 114.93 118.53 1l8y h MET 39 Ca -0.11 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1l8y h MET 39 Cb 0.80 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.57 1l8y h MET 39 CO 0.18 -0.30 0.00 2.41 1.06 0.00 0.00 176.91 180.25 1l8y n THR 40 N -5.40 1.76 -0.03 2.22 -1.04 -1.21 0.12 114.28 110.70 1l8y n THR 40 Ca -0.05 0.55 -0.21 0.00 -2.04 0.00 0.00 64.05 62.29 1l8y n THR 40 Cb 0.31 -1.54 -0.13 0.00 -1.82 0.00 0.00 70.33 67.15 1l8y n THR 40 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 1l8y h TRP 41 N 0.00 0.30 0.02 -1.42 2.91 0.13 -3.34 115.95 114.55 1l8y h TRP 41 Ca 0.00 -0.22 -0.25 0.00 1.13 0.00 0.00 58.89 59.55 1l8y h TRP 41 Cb 0.01 -0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 28.61 1l8y h TRP 41 CO 0.00 1.54 -1.29 -0.91 -1.03 0.00 0.00 178.44 176.74 1l8y h ASN 42 N -0.48 0.07 0.00 2.65 2.35 -0.53 -3.19 115.58 116.45 1l8y h ASN 42 Ca -0.31 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 1l8y h ASN 42 Cb 1.63 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.98 1l8y h ASN 42 CO -0.01 1.08 0.15 0.78 -1.65 0.00 0.00 177.43 177.77 1l8y h ASN 43 N 0.01 0.00 0.00 5.81 2.35 0.81 -3.32 115.58 121.23 1l8y h ASN 43 Ca -0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1l8y h ASN 43 Cb 1.88 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.25 1l8y h ASN 43 CO 0.12 0.00 0.00 0.80 -1.65 0.00 0.00 177.43 176.70 1l8y n MET 44 N -2.98 0.00 -3.89 0.81 1.56 -1.20 -5.04 117.12 106.37 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 0.21 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.58 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 0.00 -0.15 0.24 2.12 4.07 -1.25 -4.92 120.64 120.74 1l8y n GLU 45 Ca 0.00 0.00 0.17 0.00 -0.06 0.00 0.00 57.16 57.27 1l8y n GLU 45 Cb 0.00 0.00 0.74 0.00 -0.06 0.00 0.00 31.44 32.12 1l8y n GLU 45 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1l8y h LYS 46 N 0.00 0.00 0.20 5.31 3.64 -1.95 -2.57 116.57 121.21 1l8y h LYS 46 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 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 -0.14 -0.22 -2.27 0.00 0.00 179.45 176.82 1l8y h LYS 47 N 0.00 -0.31 0.00 1.90 3.64 -1.96 -2.92 116.57 116.93 1l8y h LYS 47 Ca 0.08 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1l8y h LYS 47 Cb 0.95 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1l8y h LYS 47 CO -0.00 -0.21 0.00 0.39 -2.27 0.00 0.00 179.45 177.36 1l8y n GLU 48 N -3.10 0.00 0.00 1.90 4.71 -0.98 -2.70 120.64 120.47 1l8y n GLU 48 Ca -0.04 0.08 0.00 0.00 -0.01 0.00 0.00 57.16 57.19 1l8y n GLU 48 Cb 0.14 -0.88 0.00 0.00 -1.01 0.00 0.00 31.44 29.69 1l8y n GLU 48 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1l8y n LYS 49 N -0.74 0.00 0.20 3.49 5.02 -1.13 -0.19 118.16 124.80 1l8y n LYS 49 Ca 0.00 0.42 -0.15 0.00 -2.02 0.00 0.00 58.31 56.57 1l8y n LYS 49 Cb 0.00 -0.64 -0.08 0.00 -0.02 0.00 0.00 35.03 34.28 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 -1.22 -1.98 -0.35 7.12 -1.70 -2.27 115.31 114.91 1l8y h LEU 50 Ca 0.00 0.11 0.24 0.00 0.13 0.00 0.00 57.88 58.36 1l8y h LEU 50 Cb 0.00 0.42 -0.04 0.00 -0.53 0.00 0.00 40.66 40.52 1l8y h LEU 50 CO 0.00 -0.53 0.60 0.24 -0.13 0.00 0.00 178.44 178.62 1l8y h MET 51 N -0.78 0.02 -0.32 1.25 2.86 -1.10 0.86 114.93 117.72 1l8y h MET 51 Ca -0.04 -0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 1l8y h MET 51 Cb 0.70 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 1l8y h MET 51 CO -0.12 0.01 -0.07 -1.49 1.06 0.00 0.00 176.91 176.31 1l8y h TRP 52 N 0.02 0.54 0.26 -0.22 4.06 0.00 -2.75 115.95 117.86 1l8y h TRP 52 Ca 0.40 -0.07 -0.00 0.00 2.06 0.00 0.00 58.89 61.28 1l8y h TRP 52 Cb 1.58 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 29.57 1l8y h TRP 52 CO -0.00 0.58 -0.38 0.82 -3.56 0.00 0.00 178.44 175.90 1l8y h ILE 53 N 0.48 0.00 -0.70 1.49 2.04 0.11 -2.26 117.51 118.68 1l8y h ILE 53 Ca 0.10 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.16 1l8y h ILE 53 Cb 0.42 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 1l8y h ILE 53 CO 0.02 0.00 0.52 0.50 0.00 0.00 0.00 178.15 179.19 1l8y h LYS 54 N -0.67 0.00 0.56 2.37 1.63 -1.42 2.64 116.57 121.68 1l8y h LYS 54 Ca -0.03 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.74 1l8y h LYS 54 Cb 0.61 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.24 1l8y h LYS 54 CO -0.11 0.00 -0.27 -0.22 -3.45 0.00 0.00 179.45 175.40 1l8y h LYS 55 N 0.00 -0.72 0.00 1.90 3.64 -1.13 1.57 116.57 121.84 1l8y h LYS 55 Ca 0.33 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 1l8y h LYS 55 Cb 1.36 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.34 1l8y h LYS 55 CO -0.00 -0.42 -0.13 0.00 -2.27 0.00 0.00 179.45 176.63 1l8y h ALA 56 N -0.57 0.93 -0.01 5.00 0.00 -1.15 -2.53 119.26 120.93 1l8y h ALA 56 Ca -0.08 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.62 1l8y h ALA 56 Cb 0.63 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1l8y h ALA 56 CO 0.13 0.00 -0.89 0.00 0.00 0.00 0.00 179.25 178.49 1l8y h ALA 57 N 2.08 0.44 -0.04 0.00 0.00 0.47 2.55 119.26 124.76 1l8y h ALA 57 Ca 0.00 -0.69 -0.06 0.00 0.00 0.00 0.00 54.91 54.15 1l8y h ALA 57 Cb 0.96 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1l8y h ALA 57 CO 0.00 0.83 -0.27 1.49 0.00 0.00 0.00 179.25 181.30 1l8y h GLU 58 N 0.21 0.07 0.10 0.00 4.57 0.24 -0.58 114.58 119.19 1l8y h GLU 58 Ca -0.06 -0.02 -0.27 0.00 -1.18 0.00 0.00 59.36 57.83 1l8y h GLU 58 Cb 1.51 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 30.10 1l8y h GLU 58 CO 0.15 0.34 -1.17 0.22 -1.18 0.00 0.00 179.01 177.37 1l8y h ASP 59 N 0.07 0.50 -0.19 1.04 1.82 -0.88 -3.17 116.42 115.61 1l8y h ASP 59 Ca 0.01 -0.49 0.06 0.00 -0.39 0.00 0.00 57.03 56.21 1l8y h ASP 59 Cb 0.52 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.36 1l8y h ASP 59 CO 0.04 1.35 0.17 -0.61 -1.61 0.00 0.00 179.24 178.58 1l8y h GLN 60 N 0.13 0.00 -0.66 0.28 -0.00 0.59 0.15 115.11 115.61 1l8y h GLN 60 Ca -0.13 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.49 1l8y h GLN 60 Cb 1.87 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 29.32 1l8y h GLN 60 CO 0.20 0.00 0.30 -0.22 0.00 0.00 0.00 178.83 179.11 1l8y h LYS 61 N 0.00 0.94 0.00 1.69 3.11 -1.30 0.37 116.57 121.37 1l8y h LYS 61 Ca 0.09 -0.13 -0.05 0.00 -2.81 0.00 0.00 60.65 57.75 1l8y h LYS 61 Cb 0.43 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 31.48 1l8y h LYS 61 CO -0.00 0.73 -0.25 -0.09 -2.81 0.00 0.00 179.45 177.04 1l8y h ARG 62 N 0.93 0.00 0.17 1.90 2.43 -0.84 -2.12 114.38 116.85 1l8y h ARG 62 Ca 0.23 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 59.12 1l8y h ARG 62 Cb 0.12 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1l8y h ARG 62 CO -0.03 0.25 -1.34 0.10 -1.51 0.00 0.00 179.97 177.44 1l8y h TYR 63 N 0.00 0.65 -0.65 2.20 -0.00 -1.20 -3.00 116.97 114.96 1l8y h TYR 63 Ca -0.00 -0.47 0.08 0.00 0.00 0.00 0.00 58.73 58.34 1l8y h TYR 63 Cb 0.47 -0.03 -0.07 0.00 0.00 0.00 0.00 36.73 37.11 1l8y h TYR 63 CO 0.00 1.52 0.31 1.49 -0.00 0.00 0.00 178.16 181.48 1l8y h GLU 64 N -0.14 0.53 0.00 0.10 4.57 -0.79 0.14 114.58 118.98 1l8y h GLU 64 Ca -0.26 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 57.83 1l8y h GLU 64 Cb 1.89 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 30.35 1l8y h GLU 64 CO 0.15 0.35 -0.28 0.07 -1.18 0.00 0.00 179.01 178.13 1l8y h ARG 65 N 0.54 0.00 0.18 1.92 0.11 -1.50 -1.20 114.38 114.43 1l8y h ARG 65 Ca 0.32 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.39 1l8y h ARG 65 Cb 0.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.41 1l8y h ARG 65 CO -0.26 0.28 -0.08 0.93 0.10 0.00 0.00 179.97 180.93 1l8y h GLU 66 N 0.00 -0.23 -0.53 0.08 3.07 -0.58 -2.71 114.58 113.68 1l8y h GLU 66 Ca -0.00 0.02 0.09 0.00 -0.50 0.00 0.00 59.36 58.96 1l8y h GLU 66 Cb 0.63 0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 28.52 1l8y h GLU 66 CO 0.04 -0.15 0.12 1.37 -1.40 0.00 0.00 179.01 178.99 1l8y h LEU 67 N -0.24 0.03 -0.70 1.33 8.10 -1.49 0.24 115.31 122.59 1l8y h LEU 67 Ca -0.02 0.09 0.26 0.00 0.11 0.00 0.00 57.88 58.32 1l8y h LEU 67 Cb 0.18 0.12 -0.13 0.00 -0.44 0.00 0.00 40.66 40.39 1l8y h LEU 67 CO 0.04 0.04 0.27 -0.24 -4.11 0.00 0.00 178.44 174.44 1l8y n SER 68 N -5.10 0.15 -0.22 0.17 2.88 -0.45 0.12 113.62 111.17 1l8y n SER 68 Ca 0.07 1.17 0.01 0.00 -1.33 0.00 0.00 58.87 58.78 1l8y n SER 68 Cb 0.26 -0.53 0.13 0.00 -0.75 0.00 0.00 64.21 63.32 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 0.43 -0.20 -1.46 4.39 -0.97 -0.89 114.58 115.88 1l8y h GLU 69 Ca 0.54 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 60.16 1l8y h GLU 69 Cb 1.37 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 1l8y h GLU 69 CO -0.57 0.28 -0.14 1.98 -1.16 0.00 0.00 179.01 179.40 1l8y h MET 70 N 0.44 0.33 -0.91 2.33 4.05 0.74 -2.56 114.93 119.35 1l8y h MET 70 Ca 0.33 -0.09 -0.10 0.00 -0.28 0.00 0.00 59.70 59.56 1l8y h MET 70 Cb 0.43 -0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 31.12 1l8y h MET 70 CO -0.32 0.48 0.13 -2.13 0.23 0.00 0.00 176.91 175.29 1l8y n ARG 71 N -4.23 2.10 -2.68 0.39 3.00 -0.35 -4.18 116.66 110.70 1l8y n ARG 71 Ca -0.00 -1.28 -0.05 0.00 -0.00 0.00 0.00 57.85 56.52 1l8y n ARG 71 Cb 0.30 -1.66 0.06 0.00 0.00 0.00 0.00 32.46 31.15 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 0.05 -1.13 -0.06 5.13 0.00 -0.97 -5.02 120.51 118.51 1l8y n ALA 72 Ca 0.18 -0.81 -0.08 0.00 0.00 0.00 0.00 53.44 52.72 1l8y n ALA 72 Cb 0.81 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.93 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 0.17 -1.11 0.00 0.11 -1.71 -2.47 132.00 128.74 1l8y h PRO 73 Ca -0.40 -0.01 -0.42 0.00 0.11 0.00 0.00 66.00 65.28 1l8y h PRO 73 Cb 1.24 -0.04 -0.22 0.00 0.11 0.00 0.00 31.00 32.10 1l8y h PRO 73 CO -0.10 0.11 0.54 -0.35 -0.21 0.00 0.00 178.00 177.99 1l8y n PRO 74 N -5.06 2.03 -2.31 1.05 -0.04 -1.26 -4.48 135.00 124.93 1l8y n PRO 74 Ca -0.02 -2.26 -0.28 0.00 -0.04 0.00 0.00 63.50 60.90 1l8y n PRO 74 Cb 0.10 -1.89 0.01 0.00 -0.04 0.00 0.00 33.50 31.68 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 -0.53 5.28 -3.37 0.55 0.00 -0.93 -3.56 120.51 117.95 1l8y n ALA 75 Ca 0.44 -4.20 -0.15 0.00 0.00 0.00 0.00 53.44 49.53 1l8y n ALA 75 Cb 1.07 -0.72 -0.08 0.00 0.00 0.00 0.00 19.45 19.72 1l8y n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l8y s ALA 76 N -3.62 -0.67 0.00 0.00 0.00 -1.26 -4.84 121.76 111.37 1l8y s ALA 76 Ca 0.49 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.19 1l8y s ALA 76 Cb 0.41 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.61 1l8y s ALA 76 CO -0.18 -1.79 0.00 -2.37 0.00 0.00 0.00 175.76 171.42 1l8y n THR 77 N 5.17 0.00 0.00 0.00 5.66 -1.26 -4.86 114.28 118.99 1l8y n THR 77 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1l8y n THR 77 Cb 0.47 -0.47 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 1.88 0.00 0.01 1.09 3.02 -1.26 -4.79 115.26 115.21 1l8y n ASN 78 Ca 0.00 0.00 0.22 0.00 -0.03 0.00 0.00 54.58 54.77 1l8y n ASN 78 Cb 0.00 0.04 0.73 0.00 -0.61 0.00 0.00 39.78 39.94 1l8y n ASN 78 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1l8y h SER 79 N 0.00 0.00 -0.24 6.41 4.64 -1.89 -3.38 113.55 119.09 1l8y h SER 79 Ca 0.00 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.51 1l8y h SER 79 Cb 0.00 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 61.91 1l8y h SER 79 CO 0.00 0.00 -0.04 -0.94 -0.87 0.00 0.00 176.83 174.98 1l8y s SER 80 N -5.54 -0.38 0.60 4.97 1.04 -1.26 -5.07 113.70 108.06 1l8y s SER 80 Ca -0.05 -0.02 -0.01 0.00 0.48 0.00 0.00 55.95 56.35 1l8y s SER 80 Cb 0.18 1.01 0.04 0.00 0.10 0.00 0.00 66.02 67.35 1l8y s SER 80 CO 0.63 -0.06 0.84 -1.59 0.98 0.00 0.00 173.24 174.05 1l8y s LYS 81 N 2.66 2.44 -0.28 4.02 0.00 -1.26 -4.40 119.74 122.92 1l8y s LYS 81 Ca 0.24 -0.63 0.01 0.00 0.00 0.00 0.00 55.97 55.59 1l8y s LYS 81 Cb -0.00 -2.40 0.16 0.00 0.00 0.00 0.00 37.83 35.60 1l8y s LYS 81 CO -0.20 -0.87 0.47 0.15 0.00 0.00 0.00 175.35 174.89 1l8y s LYS 82 N -4.90 0.45 -0.55 1.78 3.01 -1.26 -5.03 119.74 113.24 1l8y s LYS 82 Ca 0.58 0.48 0.01 0.00 -1.01 0.00 0.00 55.97 56.03 1l8y s LYS 82 Cb -0.10 -0.10 0.45 0.00 -1.01 0.00 0.00 37.83 37.06 1l8y s LYS 82 CO 0.40 -0.85 1.76 1.47 0.51 0.00 0.00 175.35 178.64 1l8y n LEU 83 N 5.38 6.81 -0.93 3.17 -0.00 -1.26 -5.15 117.00 125.02 1l8y n LEU 83 Ca -0.00 -4.44 0.12 0.00 -0.00 0.00 0.00 56.01 51.68 1l8y n LEU 83 Cb 0.51 -0.77 0.10 0.00 -0.00 0.00 0.00 43.42 43.25 1l8y n LEU 83 CO 0.01 1.68 0.62 1.21 -0.00 0.00 0.00 177.39 180.90