#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 3.08 -3.42 1.61 4.81 0.42 -4.74 118.16 119.92 1l8y n LYS 2 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 1l8y n LYS 2 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 1l8y n LYS 2 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 1l8y s LEU 3 N 0.00 6.24 -0.46 3.14 2.34 -1.26 -4.47 118.68 124.21 1l8y s LEU 3 Ca 0.00 -3.31 -0.28 0.00 0.06 0.00 0.00 54.13 50.60 1l8y s LEU 3 Cb 0.00 -2.13 -0.01 0.00 -0.56 0.00 0.00 46.19 43.49 1l8y s LEU 3 CO 0.00 -0.35 1.71 -2.16 -1.06 0.00 0.00 176.35 174.48 1l8y s PRO 4 N -0.79 3.15 0.38 1.48 0.04 -1.26 -4.85 135.00 133.15 1l8y s PRO 4 Ca 0.25 0.98 0.20 0.00 0.04 0.00 0.00 61.00 62.48 1l8y s PRO 4 Cb -0.10 -4.22 0.52 0.00 0.04 0.00 0.00 34.50 30.73 1l8y s PRO 4 CO -0.09 -2.09 1.65 1.49 0.04 0.00 0.00 177.00 178.01 1l8y h GLU 5 N 12.95 0.00 -6.19 4.56 4.57 -1.94 -3.49 114.58 125.04 1l8y h GLU 5 Ca -0.29 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.59 1l8y h GLU 5 Cb 1.15 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.74 1l8y h GLU 5 CO 1.12 0.32 -0.67 0.43 -1.18 0.00 0.00 179.01 179.02 1l8y n SER 6 N -3.30 -6.00 -2.36 1.04 7.64 -1.26 -4.99 113.62 104.39 1l8y n SER 6 Ca 0.01 -0.63 0.00 0.00 1.01 0.00 0.00 58.87 59.26 1l8y n SER 6 Cb 0.56 -3.17 0.00 0.00 -1.01 0.00 0.00 64.21 60.59 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 -2.43 2.50 -1.61 1.43 -0.02 -1.26 -5.02 135.00 128.59 1l8y n PRO 7 Ca -0.18 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.26 1l8y n PRO 7 Cb 0.61 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 34.11 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 0.51 0.00 -0.52 0.00 -1.20 -4.97 118.16 111.98 1l8y n LYS 8 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 58.31 57.40 1l8y n LYS 8 Cb 0.00 0.44 0.00 0.00 0.00 0.00 0.00 35.03 35.47 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 -0.58 0.00 0.00 1.64 5.12 0.66 -3.32 116.66 120.19 1l8y n ARG 9 Ca -0.20 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.72 1l8y n ARG 9 Cb 0.71 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.01 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 5.03 0.00 0.16 7.54 0.00 -0.63 -2.66 120.51 129.95 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 0.65 0.00 0.00 0.00 0.00 19.45 20.10 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 -1.69 -1.65 114.58 115.64 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 -0.01 1.49 -1.16 0.00 0.00 179.01 179.33 1l8y h GLU 12 N 0.00 0.00 -0.28 2.33 4.57 -0.83 -2.16 114.58 118.21 1l8y h GLU 12 Ca 0.14 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.38 1l8y h GLU 12 Cb 1.28 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.81 1l8y h GLU 12 CO -0.00 0.00 -0.10 0.97 -1.18 0.00 0.00 179.01 178.70 1l8y h ILE 13 N -0.33 0.65 0.01 2.32 6.09 0.45 -2.26 117.51 124.44 1l8y h ILE 13 Ca 0.00 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1l8y h ILE 13 Cb 0.01 0.65 0.00 0.00 0.47 0.00 0.00 36.82 37.95 1l8y h ILE 13 CO 0.00 0.00 -0.01 -0.25 -3.07 0.00 0.00 178.15 174.82 1l8y h TRP 14 N -0.05 -0.01 0.15 2.19 7.01 -1.50 -2.15 115.95 121.59 1l8y h TRP 14 Ca 0.14 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.15 1l8y h TRP 14 Cb 0.26 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.29 1l8y h TRP 14 CO -0.30 0.66 -0.48 0.37 -2.79 0.00 0.00 178.44 175.89 1l8y h GLN 15 N -0.98 -0.69 -0.79 2.65 4.15 -1.45 0.30 115.11 118.31 1l8y h GLN 15 Ca -0.00 0.05 0.19 0.00 0.77 0.00 0.00 58.65 59.65 1l8y h GLN 15 Cb 0.68 0.16 -0.05 0.00 0.21 0.00 0.00 27.48 28.48 1l8y h GLN 15 CO 0.00 -0.46 0.54 0.37 -1.93 0.00 0.00 178.83 177.35 1l8y h GLN 16 N -0.72 0.26 -0.19 1.69 4.15 -1.45 1.19 115.11 120.04 1l8y h GLN 16 Ca -0.01 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.29 1l8y h GLN 16 Cb 0.71 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.34 1l8y h GLN 16 CO -0.24 0.17 -0.28 1.03 -1.93 0.00 0.00 178.83 177.58 1l8y h SER 17 N 0.27 0.57 0.03 -0.69 0.87 -0.19 -3.36 113.55 111.04 1l8y h SER 17 Ca 0.39 -0.52 -0.38 0.00 -1.23 0.00 0.00 61.79 60.05 1l8y h SER 17 Cb 1.13 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.88 1l8y h SER 17 CO -0.10 0.98 -2.15 1.33 -0.53 0.00 0.00 176.83 176.36 1l8y n VAL 18 N -4.37 1.57 -0.47 2.23 0.24 0.81 -4.38 118.33 113.97 1l8y n VAL 18 Ca -0.06 -0.42 0.38 0.00 -2.04 0.00 0.00 64.34 62.20 1l8y n VAL 18 Cb 0.46 -1.75 0.62 0.00 -1.47 0.00 0.00 33.84 31.70 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 -3.85 -0.16 -0.12 1.34 3.06 0.40 0.21 119.36 120.25 1l8y n ILE 19 Ca -0.43 1.49 -0.03 0.00 -2.50 0.00 0.00 62.75 61.28 1l8y n ILE 19 Cb 0.91 -2.45 0.19 0.00 0.54 0.00 0.00 39.64 38.84 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 0.87 1.15 4.50 0.00 -1.74 0.97 103.07 108.81 1l8y h GLY 20 Ca 0.78 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 47.54 1l8y h GLY 20 CO -0.29 0.47 -1.03 -1.80 0.00 0.00 0.00 176.54 173.90 1l8y h ASP 21 N 0.78 0.00 0.54 0.19 1.82 0.23 -2.72 116.42 117.25 1l8y h ASP 21 Ca 0.17 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.52 1l8y h ASP 21 Cb 0.31 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.31 1l8y h ASP 21 CO 0.00 0.24 -1.42 1.88 -1.61 0.00 0.00 179.24 178.32 1l8y h TYR 22 N 0.00 0.42 0.00 0.28 0.05 -0.70 -2.95 116.97 114.07 1l8y h TYR 22 Ca -0.06 -0.31 -0.08 0.00 0.05 0.00 0.00 58.73 58.34 1l8y h TYR 22 Cb 1.23 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.94 1l8y h TYR 22 CO 0.00 1.32 -0.38 -0.07 -1.05 0.00 0.00 178.16 177.98 1l8y h LEU 23 N 0.06 0.00 -0.27 3.88 3.38 0.85 -3.27 115.31 119.95 1l8y h LEU 23 Ca -0.20 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.57 1l8y h LEU 23 Cb 1.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.74 1l8y h LEU 23 CO 0.17 0.38 -0.71 0.00 0.09 0.00 0.00 178.44 178.37 1l8y h ALA 24 N 1.62 0.43 -0.30 1.53 0.00 -1.52 0.95 119.26 121.97 1l8y h ALA 24 Ca -0.00 -0.58 0.07 0.00 0.00 0.00 0.00 54.91 54.39 1l8y h ALA 24 Cb 1.23 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 1l8y h ALA 24 CO 0.05 0.70 -0.16 0.07 0.00 0.00 0.00 179.25 179.91 1l8y h ARG 25 N 0.50 -0.12 0.00 0.00 0.11 -1.56 -3.11 114.38 110.20 1l8y h ARG 25 Ca -0.03 0.01 -0.17 0.00 0.10 0.00 0.00 59.98 59.88 1l8y h ARG 25 Cb 1.32 0.03 -0.03 0.00 1.11 0.00 0.00 29.97 32.39 1l8y h ARG 25 CO 0.14 -0.08 -2.03 0.34 0.10 0.00 0.00 179.97 178.44 1l8y n PHE 26 N -5.33 0.19 -1.71 4.08 -0.00 -1.25 -5.04 117.46 108.40 1l8y n PHE 26 Ca 0.00 0.06 -0.00 0.00 -0.00 0.00 0.00 57.45 57.51 1l8y n PHE 26 Cb 0.25 -0.81 0.00 0.00 -0.00 0.00 0.00 39.48 38.92 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 -2.57 -0.19 -0.44 -4.13 0.00 0.28 -4.68 118.16 106.43 1l8y n LYS 27 Ca -0.16 0.58 0.00 0.00 0.00 0.00 0.00 58.31 58.73 1l8y n LYS 27 Cb 0.85 -2.08 0.00 0.00 0.00 0.00 0.00 35.03 33.80 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 -1.17 -0.34 -1.59 3.14 5.15 -0.91 -5.02 115.26 114.52 1l8y n ASN 28 Ca -0.00 0.00 0.02 0.00 -0.60 0.00 0.00 54.58 53.99 1l8y n ASN 28 Cb 0.50 -0.09 0.07 0.00 -0.53 0.00 0.00 39.78 39.73 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 0.29 1.55 -0.12 1.20 2.03 -1.26 -4.92 116.55 115.32 1l8y n ASP 29 Ca 0.00 -2.55 0.15 0.00 0.52 0.00 0.00 54.79 52.91 1l8y n ASP 29 Cb 0.09 -0.39 0.23 0.00 -0.72 0.00 0.00 41.12 40.33 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 -0.14 0.01 -0.32 -0.67 0.00 -1.26 -2.01 116.66 112.26 1l8y n ARG 30 Ca 0.12 0.53 0.28 0.00 -0.00 0.00 0.00 57.85 58.78 1l8y n ARG 30 Cb 0.97 -1.31 0.49 0.00 0.00 0.00 0.00 32.46 32.61 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 -2.31 -0.23 -0.07 5.15 0.31 -1.26 0.36 118.33 120.28 1l8y n VAL 31 Ca 0.12 1.42 -0.14 0.00 -0.01 0.00 0.00 64.34 65.73 1l8y n VAL 31 Cb 0.80 -2.32 -0.06 0.00 -0.91 0.00 0.00 33.84 31.36 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 0.59 -0.99 5.55 1.79 -1.73 -3.13 116.57 118.66 1l8y h LYS 32 Ca 0.66 -0.34 0.09 0.00 -2.18 0.00 0.00 60.65 58.87 1l8y h LYS 32 Cb 1.99 0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 32.59 1l8y h LYS 32 CO -0.43 0.95 0.63 0.00 -1.08 0.00 0.00 179.45 179.52 1l8y h ALA 33 N 0.64 1.49 0.05 3.86 0.00 0.60 0.44 119.26 126.33 1l8y h ALA 33 Ca 0.02 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1l8y h ALA 33 Cb 0.88 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1l8y h ALA 33 CO 0.07 0.32 -0.43 1.25 0.00 0.00 0.00 179.25 180.46 1l8y h LEU 34 N 1.06 -1.29 0.07 0.00 6.46 -1.21 0.23 115.31 120.63 1l8y h LEU 34 Ca 0.46 0.15 -0.11 0.00 -0.12 0.00 0.00 57.88 58.25 1l8y h LEU 34 Cb 0.33 0.49 0.01 0.00 -0.73 0.00 0.00 40.66 40.77 1l8y h LEU 34 CO -0.21 -0.48 -0.48 0.11 -0.62 0.00 0.00 178.44 176.77 1l8y h LYS 35 N -0.62 0.20 -0.38 1.25 1.79 -1.56 0.85 116.57 118.10 1l8y h LYS 35 Ca 0.03 -0.31 0.11 0.00 -2.18 0.00 0.00 60.65 58.31 1l8y h LYS 35 Cb 0.67 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.42 1l8y h LYS 35 CO -0.29 1.12 0.46 0.00 -1.08 0.00 0.00 179.45 179.66 1l8y h ALA 36 N 0.10 2.05 0.00 3.86 0.00 -0.12 0.14 119.26 125.30 1l8y h ALA 36 Ca -0.08 -0.01 -0.44 0.00 0.00 0.00 0.00 54.91 54.38 1l8y h ALA 36 Cb 1.34 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.09 1l8y h ALA 36 CO 0.09 -0.66 -2.52 -0.12 0.00 0.00 0.00 179.25 176.05 1l8y n MET 37 N -3.59 0.61 0.14 0.00 0.00 0.80 -4.12 117.12 110.96 1l8y n MET 37 Ca 0.07 0.22 -0.06 0.00 -0.00 0.00 0.00 57.70 57.93 1l8y n MET 37 Cb 0.62 -1.49 -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 -0.64 -0.36 -0.30 2.12 4.81 0.14 -2.13 114.58 118.22 1l8y h GLU 38 Ca -0.66 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 58.69 1l8y h GLU 38 Cb 1.71 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 31.16 1l8y h GLU 38 CO -0.30 -0.24 0.43 0.52 -0.73 0.00 0.00 179.01 178.68 1l8y h MET 39 N -0.47 0.00 0.00 1.92 2.86 -0.93 0.28 114.93 118.60 1l8y h MET 39 Ca -0.04 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 1l8y h MET 39 Cb 0.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1l8y h MET 39 CO 0.06 0.00 -0.48 1.15 1.06 0.00 0.00 176.91 178.70 1l8y h THR 40 N 0.00 0.42 0.13 2.22 2.02 -1.55 -2.79 112.91 113.35 1l8y h THR 40 Ca 0.14 -1.62 -0.31 0.00 0.77 0.00 0.00 66.41 65.40 1l8y h THR 40 Cb 1.00 2.12 -0.00 0.00 -1.74 0.00 0.00 68.15 69.53 1l8y h THR 40 CO -0.00 0.24 -1.59 -0.25 0.37 0.00 0.00 175.52 174.28 1l8y h TRP 41 N 0.00 0.51 0.09 3.16 2.91 0.25 -3.34 115.95 119.54 1l8y h TRP 41 Ca -0.02 -0.37 -0.20 0.00 1.13 0.00 0.00 58.89 59.43 1l8y h TRP 41 Cb 1.22 -0.02 0.02 0.00 -0.51 0.00 0.00 29.16 29.87 1l8y h TRP 41 CO 0.00 1.62 -0.84 -0.91 -1.03 0.00 0.00 178.44 177.29 1l8y h ASN 42 N -0.16 0.57 -0.03 2.65 2.35 -1.57 -3.23 115.58 116.17 1l8y h ASN 42 Ca -0.34 -0.87 0.01 0.00 -0.55 0.00 0.00 56.30 54.56 1l8y h ASN 42 Cb 1.88 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 40.07 1l8y h ASN 42 CO 0.09 1.38 0.08 -0.55 -1.65 0.00 0.00 177.43 176.78 1l8y h ASN 43 N -0.16 0.00 -0.07 5.81 -0.00 -1.70 0.22 115.58 119.68 1l8y h ASN 43 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.17 1l8y h ASN 43 Cb 1.60 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.92 1l8y h ASN 43 CO 0.16 0.00 0.00 0.80 -0.00 0.00 0.00 177.43 178.39 1l8y n MET 44 N -3.37 1.90 0.00 4.14 1.56 -1.22 -5.05 117.12 115.08 1l8y n MET 44 Ca -0.02 -1.31 0.00 0.00 -0.27 0.00 0.00 57.70 56.10 1l8y n MET 44 Cb 0.16 -1.46 0.00 0.00 2.15 0.00 0.00 33.22 34.07 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 0.58 0.00 -0.51 2.12 1.02 0.75 -2.63 120.64 121.97 1l8y n GLU 45 Ca 0.17 0.00 0.42 0.00 -0.02 0.00 0.00 57.16 57.73 1l8y n GLU 45 Cb 0.43 0.00 0.71 0.00 -0.02 0.00 0.00 31.44 32.56 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 0.05 -0.44 3.49 3.64 -1.87 -1.44 116.57 119.99 1l8y h LYS 46 Ca 0.00 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1l8y h LYS 46 Cb 0.00 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 31.72 1l8y h LYS 46 CO 0.00 0.03 -0.46 -0.22 -2.27 0.00 0.00 179.45 176.54 1l8y h LYS 47 N 0.05 -0.31 0.00 1.90 3.64 -1.86 -2.47 116.57 117.52 1l8y h LYS 47 Ca 0.84 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 60.24 1l8y h LYS 47 Cb 2.92 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 34.81 1l8y h LYS 47 CO -0.26 -0.21 -0.05 0.93 -2.27 0.00 0.00 179.45 177.59 1l8y h GLU 48 N -0.32 0.00 0.00 1.90 3.07 -1.33 -3.34 114.58 114.56 1l8y h GLU 48 Ca 0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1l8y h GLU 48 Cb 0.58 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 1l8y h GLU 48 CO -0.60 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 178.64 1l8y n LYS 49 N -3.04 0.00 -0.36 2.33 5.02 -1.00 0.74 118.16 121.84 1l8y n LYS 49 Ca -0.01 0.49 0.31 0.00 -2.02 0.00 0.00 58.31 57.09 1l8y n LYS 49 Cb 0.02 -0.93 0.58 0.00 -0.02 0.00 0.00 35.03 34.68 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 0.35 0.05 -0.35 -0.00 -1.67 -1.12 115.31 112.57 1l8y h LEU 50 Ca 0.00 0.20 -0.00 0.00 -0.00 0.00 0.00 57.88 58.08 1l8y h LEU 50 Cb 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 40.66 40.84 1l8y h LEU 50 CO 0.00 -0.27 -0.02 0.24 -0.00 0.00 0.00 178.44 178.39 1l8y h MET 51 N 0.12 -0.06 -0.81 1.13 2.86 -1.14 -3.26 114.93 113.78 1l8y h MET 51 Ca 0.81 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 58.60 1l8y h MET 51 Cb 2.19 0.01 -0.15 0.00 0.06 0.00 0.00 31.60 33.72 1l8y h MET 51 CO -0.61 0.58 -0.29 -1.49 1.06 0.00 0.00 176.91 176.15 1l8y h TRP 52 N -0.82 -0.76 -0.26 -0.22 4.06 0.16 0.41 115.95 118.52 1l8y h TRP 52 Ca -0.01 0.08 0.06 0.00 2.06 0.00 0.00 58.89 61.09 1l8y h TRP 52 Cb 0.66 0.45 -0.07 0.00 -1.00 0.00 0.00 29.16 29.20 1l8y h TRP 52 CO 0.16 -0.38 -0.26 -0.84 -3.56 0.00 0.00 178.44 173.55 1l8y h ILE 53 N -0.05 0.35 -0.26 1.49 3.07 -1.58 -0.79 117.51 119.74 1l8y h ILE 53 Ca 0.34 0.00 0.06 0.00 1.55 0.00 0.00 64.86 66.81 1l8y h ILE 53 Cb 0.59 0.35 -0.01 0.00 -0.27 0.00 0.00 36.82 37.48 1l8y h ILE 53 CO -0.84 0.00 0.18 0.50 -1.05 0.00 0.00 178.15 176.94 1l8y h LYS 54 N -0.26 0.08 0.16 0.16 3.64 -0.99 2.50 116.57 121.85 1l8y h LYS 54 Ca 0.14 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1l8y h LYS 54 Cb 0.48 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1l8y h LYS 54 CO -0.41 0.05 -0.08 -0.22 -2.27 0.00 0.00 179.45 176.52 1l8y h LYS 55 N 0.08 -0.20 0.00 1.90 3.64 -0.11 1.71 116.57 123.59 1l8y h LYS 55 Ca 0.12 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1l8y h LYS 55 Cb 0.38 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1l8y h LYS 55 CO -0.01 -0.13 -0.42 0.00 -2.27 0.00 0.00 179.45 176.61 1l8y h ALA 56 N 0.64 0.73 0.01 5.00 0.00 -1.15 -2.24 119.26 122.25 1l8y h ALA 56 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 1l8y h ALA 56 Cb 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1l8y h ALA 56 CO 0.03 0.00 -0.99 0.00 0.00 0.00 0.00 179.25 178.30 1l8y h ALA 57 N 2.41 0.38 0.00 0.00 0.00 0.48 2.14 119.26 124.68 1l8y h ALA 57 Ca 0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 54.91 53.92 1l8y h ALA 57 Cb 0.79 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1l8y h ALA 57 CO 0.00 1.16 -0.58 1.49 0.00 0.00 0.00 179.25 181.32 1l8y h GLU 58 N 0.01 0.00 0.10 0.00 4.81 0.26 -2.66 114.58 117.10 1l8y h GLU 58 Ca -0.02 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.00 1l8y h GLU 58 Cb 1.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.10 1l8y h GLU 58 CO 0.13 0.58 -1.01 -0.44 -0.73 0.00 0.00 179.01 177.55 1l8y h ASP 59 N 0.00 0.34 -0.08 1.04 3.32 -1.10 -3.31 116.42 116.62 1l8y h ASP 59 Ca -0.01 -0.88 0.02 0.00 0.02 0.00 0.00 57.03 56.19 1l8y h ASP 59 Cb 1.39 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.82 1l8y h ASP 59 CO 0.08 1.45 0.07 0.06 -1.72 0.00 0.00 179.24 179.17 1l8y h GLN 60 N -0.47 0.00 -0.95 3.56 -0.00 0.35 0.40 115.11 117.99 1l8y h GLN 60 Ca -0.21 0.00 0.23 0.00 -0.00 0.00 0.00 58.65 58.67 1l8y h GLN 60 Cb 1.59 0.00 -0.07 0.00 -0.00 0.00 0.00 27.48 29.00 1l8y h GLN 60 CO 0.06 0.00 0.63 -0.22 -0.00 0.00 0.00 178.83 179.31 1l8y h LYS 61 N 0.00 0.33 -0.16 0.06 3.64 -1.56 0.56 116.57 119.44 1l8y h LYS 61 Ca 0.04 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.21 1l8y h LYS 61 Cb 0.17 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1l8y h LYS 61 CO -0.00 0.22 -0.69 -0.09 -2.27 0.00 0.00 179.45 176.63 1l8y h ARG 62 N 0.34 0.65 -0.52 1.90 9.65 -1.08 -3.14 114.38 122.17 1l8y h ARG 62 Ca 0.50 -0.48 -0.01 0.00 -1.10 0.00 0.00 59.98 58.89 1l8y h ARG 62 Cb 1.36 0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 30.01 1l8y h ARG 62 CO -0.18 1.10 0.28 0.10 2.80 0.00 0.00 179.97 184.07 1l8y h TYR 63 N 0.46 0.73 -0.88 2.20 -0.00 0.05 -2.06 116.97 117.47 1l8y h TYR 63 Ca -0.02 -0.02 0.15 0.00 0.00 0.00 0.00 58.73 58.83 1l8y h TYR 63 Cb 1.28 -0.23 -0.07 0.00 0.00 0.00 0.00 36.73 37.71 1l8y h TYR 63 CO 0.06 0.55 0.57 1.49 -0.00 0.00 0.00 178.16 180.83 1l8y h GLU 64 N 0.70 0.64 0.00 0.10 4.57 -1.09 0.54 114.58 120.03 1l8y h GLU 64 Ca 0.18 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.31 1l8y h GLU 64 Cb 0.07 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1l8y h GLU 64 CO -0.03 0.42 -0.06 -0.09 -1.18 0.00 0.00 179.01 178.07 1l8y h ARG 65 N 0.65 0.00 0.00 1.92 9.65 -1.33 -2.04 114.38 123.24 1l8y h ARG 65 Ca 0.44 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.32 1l8y h ARG 65 Cb 0.75 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.33 1l8y h ARG 65 CO -0.20 0.06 0.00 0.39 2.80 0.00 0.00 179.97 183.02 1l8y n GLU 66 N -3.24 0.00 -0.25 0.20 -0.58 0.19 -3.27 120.64 113.68 1l8y n GLU 66 Ca -0.01 0.09 0.04 0.00 -0.42 0.00 0.00 57.16 56.86 1l8y n GLU 66 Cb 0.27 -0.88 0.14 0.00 -0.57 0.00 0.00 31.44 30.40 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 -0.40 -0.80 -4.62 8.10 -1.64 1.28 115.31 117.23 1l8y h LEU 67 Ca 0.00 0.20 0.33 0.00 0.11 0.00 0.00 57.88 58.52 1l8y h LEU 67 Cb 0.00 0.36 -0.14 0.00 -0.44 0.00 0.00 40.66 40.43 1l8y h LEU 67 CO 0.00 -0.19 0.42 -1.20 -4.11 0.00 0.00 178.44 173.36 1l8y n SER 68 N -5.37 0.27 0.04 0.17 7.64 -0.77 0.13 113.62 115.74 1l8y n SER 68 Ca 0.13 1.33 0.22 0.00 1.01 0.00 0.00 58.87 61.56 1l8y n SER 68 Cb 0.45 -0.65 0.70 0.00 -1.01 0.00 0.00 64.21 63.70 1l8y n SER 68 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1l8y h GLU 69 N 0.00 0.00 -0.65 1.43 4.39 -0.92 -1.18 114.58 117.65 1l8y h GLU 69 Ca 0.68 0.00 0.11 0.00 0.34 0.00 0.00 59.36 60.49 1l8y h GLU 69 Cb 1.78 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 30.35 1l8y h GLU 69 CO -0.62 0.00 0.23 1.98 -1.16 0.00 0.00 179.01 179.44 1l8y h MET 70 N 0.00 0.38 -1.79 2.33 4.05 0.87 -3.24 114.93 117.54 1l8y h MET 70 Ca 0.24 -0.02 -0.48 0.00 -0.28 0.00 0.00 59.70 59.16 1l8y h MET 70 Cb 1.40 -0.09 -0.40 0.00 -0.80 0.00 0.00 31.60 31.71 1l8y h MET 70 CO -0.00 0.25 -1.07 0.54 0.23 0.00 0.00 176.91 176.86 1l8y n ARG 71 N -5.02 1.59 -2.70 0.39 1.74 -0.46 -4.86 116.66 107.33 1l8y n ARG 71 Ca 0.10 -3.69 -0.07 0.00 -0.77 0.00 0.00 57.85 53.42 1l8y n ARG 71 Cb 0.32 -1.74 0.11 0.00 -1.02 0.00 0.00 32.46 30.14 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 0.05 1.47 -0.10 7.54 0.00 -1.10 -4.99 120.51 123.38 1l8y n ALA 72 Ca 0.23 -1.51 -0.06 0.00 0.00 0.00 0.00 53.44 52.10 1l8y n ALA 72 Cb 0.65 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 19.12 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 2.13 0.25 -1.25 0.00 0.11 -1.88 -2.15 132.00 129.20 1l8y h PRO 73 Ca -0.26 -0.01 -0.42 0.00 0.11 0.00 0.00 66.00 65.42 1l8y h PRO 73 Cb 1.28 -0.06 -0.19 0.00 0.11 0.00 0.00 31.00 32.14 1l8y h PRO 73 CO 0.00 0.16 0.54 -0.35 -0.21 0.00 0.00 178.00 178.14 1l8y n PRO 74 N -5.03 2.03 -1.11 1.05 -0.04 -1.26 -4.54 135.00 126.10 1l8y n PRO 74 Ca 0.01 -2.11 -0.25 0.00 -0.04 0.00 0.00 63.50 61.11 1l8y n PRO 74 Cb 0.13 -1.83 0.09 0.00 -0.04 0.00 0.00 33.50 31.85 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 -0.22 5.61 -3.77 0.55 0.00 -0.81 -4.03 120.51 117.85 1l8y n ALA 75 Ca 0.41 -2.64 -0.28 0.00 0.00 0.00 0.00 53.44 50.93 1l8y n ALA 75 Cb 0.79 -1.55 -0.11 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.54 3.39 -2.02 0.00 0.00 -1.26 -4.75 120.51 115.33 1l8y n ALA 76 Ca 0.49 -4.33 -0.02 0.00 0.00 0.00 0.00 53.44 49.58 1l8y n ALA 76 Cb 0.86 -0.97 -0.00 0.00 0.00 0.00 0.00 19.45 19.33 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 1.96 -0.08 -2.13 0.00 -1.04 -1.26 -4.91 114.28 106.82 1l8y n THR 77 Ca 0.22 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.18 1l8y n THR 77 Cb 0.38 -0.71 -0.04 0.00 -1.82 0.00 0.00 70.33 68.14 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 1.67 -0.86 0.01 8.00 2.85 -1.26 -4.92 115.26 120.76 1l8y n ASN 78 Ca -0.02 -2.02 0.00 0.00 -0.11 0.00 0.00 54.58 52.42 1l8y n ASN 78 Cb 0.51 0.28 0.00 0.00 1.24 0.00 0.00 39.78 41.82 1l8y n ASN 78 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1l8y n SER 79 N -0.14 -0.14 0.00 1.20 7.64 -1.26 -4.77 113.62 116.16 1l8y n SER 79 Ca -0.24 0.05 0.14 0.00 1.01 0.00 0.00 58.87 59.83 1l8y n SER 79 Cb 0.76 0.30 0.73 0.00 -1.01 0.00 0.00 64.21 64.99 1l8y n SER 79 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1l8y n SER 80 N -2.58 0.00 0.00 6.43 2.88 -1.26 -4.92 113.62 114.17 1l8y n SER 80 Ca 0.00 -0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.27 1l8y n SER 80 Cb 0.00 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 1l8y n SER 80 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1l8y n LYS 81 N -1.23 0.00 -2.34 -1.46 4.01 -1.26 -4.71 118.16 111.16 1l8y n LYS 81 Ca 0.15 0.00 -0.14 0.00 -0.51 0.00 0.00 58.31 57.81 1l8y n LYS 81 Cb 0.20 0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 34.71 1l8y n LYS 81 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1l8y n LYS 82 N 0.00 -2.05 -2.92 1.97 4.76 -1.26 -4.91 118.16 113.75 1l8y n LYS 82 Ca 0.00 0.70 -0.36 0.00 -2.87 0.00 0.00 58.31 55.78 1l8y n LYS 82 Cb 0.00 -5.28 -0.06 0.00 -1.84 0.00 0.00 35.03 27.85 1l8y n LYS 82 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1l8y s LEU 83 N -5.54 4.24 0.00 -0.35 1.43 -1.26 -5.23 118.68 111.97 1l8y s LEU 83 Ca 0.00 1.62 0.00 0.00 -1.03 0.00 0.00 54.13 54.72 1l8y s LEU 83 Cb 0.00 -3.98 0.00 0.00 0.03 0.00 0.00 46.19 42.24 1l8y s LEU 83 CO 0.00 -0.10 0.31 -1.84 0.23 0.00 0.00 176.35 174.95