#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 -5.28 0.21 1.61 0.00 -1.26 -5.05 118.16 108.39 1l8y n LYS 2 Ca 0.00 3.82 0.00 0.00 0.00 0.00 0.00 58.31 62.13 1l8y n LYS 2 Cb 0.00 -4.77 0.00 0.00 0.00 0.00 0.00 35.03 30.26 1l8y n LYS 2 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1l8y n LEU 3 N 1.87 -3.41 0.03 3.14 4.77 -1.26 -5.03 117.00 117.11 1l8y n LEU 3 Ca 0.00 0.78 -0.01 0.00 -0.03 0.00 0.00 56.01 56.75 1l8y n LEU 3 Cb 0.00 3.23 -0.01 0.00 -2.33 0.00 0.00 43.42 44.31 1l8y n LEU 3 CO 0.00 0.11 0.48 -0.65 -1.33 0.00 0.00 177.39 175.99 1l8y h PRO 4 N 0.00 -0.08 0.00 3.23 0.11 -1.91 -3.48 132.00 129.86 1l8y h PRO 4 Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1l8y h PRO 4 Cb 0.00 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.13 1l8y h PRO 4 CO 0.00 -0.05 0.00 0.39 -0.21 0.00 0.00 178.00 178.13 1l8y n GLU 5 N -2.22 0.52 0.00 1.05 4.71 -1.26 -5.08 120.64 118.36 1l8y n GLU 5 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 1l8y n GLU 5 Cb 0.03 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.46 1l8y n GLU 5 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1l8y n SER 6 N -2.24 0.00 -2.95 1.62 7.64 -1.26 -4.84 113.62 111.60 1l8y n SER 6 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1l8y n SER 6 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 1.95 -1.66 1.43 -0.02 -1.26 -5.01 135.00 130.43 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 0.01 0.00 -0.02 0.00 0.00 33.50 33.49 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 0.53 0.00 -0.52 3.00 -1.22 -4.97 118.16 114.98 1l8y n LYS 8 Ca 0.00 -1.13 0.00 0.00 -0.00 0.00 0.00 58.31 57.18 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 0.36 -3.33 116.66 119.88 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 0.78 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.08 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 4.99 -0.00 -0.16 7.54 0.00 -1.12 -2.73 120.51 129.03 1l8y n ALA 10 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.73 1l8y n ALA 10 Cb 0.00 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.14 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 0.05 0.00 3.07 -1.72 -2.67 114.58 113.30 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 -0.02 1.49 -1.40 0.00 0.00 179.01 179.08 1l8y h GLU 12 N 0.00 -0.06 -0.26 2.33 4.57 -1.01 -2.35 114.58 117.81 1l8y h GLU 12 Ca 0.43 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.67 1l8y h GLU 12 Cb 2.01 0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 30.54 1l8y h GLU 12 CO -0.00 -0.04 -0.42 0.97 -1.18 0.00 0.00 179.01 178.34 1l8y h ILE 13 N -0.30 0.14 0.30 2.32 6.09 1.11 -2.38 117.51 124.80 1l8y h ILE 13 Ca -0.01 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.47 1l8y h ILE 13 Cb 0.05 0.14 0.00 0.00 0.47 0.00 0.00 36.82 37.48 1l8y h ILE 13 CO 0.01 0.00 -0.15 -0.25 -3.07 0.00 0.00 178.15 174.69 1l8y h TRP 14 N -0.41 -0.38 -0.01 2.19 7.01 -1.67 -2.34 115.95 120.34 1l8y h TRP 14 Ca 0.11 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.10 1l8y h TRP 14 Cb 0.60 0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.77 1l8y h TRP 14 CO -0.54 -0.03 -0.13 0.37 -2.79 0.00 0.00 178.44 175.32 1l8y h GLN 15 N -0.86 -0.15 -0.98 2.65 4.15 -1.40 1.07 115.11 119.58 1l8y h GLN 15 Ca -0.04 0.01 0.29 0.00 0.77 0.00 0.00 58.65 59.67 1l8y h GLN 15 Cb 0.52 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.20 1l8y h GLN 15 CO 0.07 -0.10 0.76 1.96 -1.93 0.00 0.00 178.83 179.59 1l8y h GLN 16 N -0.15 0.00 0.10 1.69 1.08 -1.57 1.79 115.11 118.05 1l8y h GLN 16 Ca 0.00 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.91 1l8y h GLN 16 Cb 0.17 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.62 1l8y h GLN 16 CO -0.09 0.00 -1.21 1.03 -0.95 0.00 0.00 178.83 177.61 1l8y h SER 17 N 0.00 0.82 0.00 1.46 0.87 -0.12 -3.40 113.55 113.18 1l8y h SER 17 Ca 0.47 -0.75 -0.19 0.00 -1.23 0.00 0.00 61.79 60.08 1l8y h SER 17 Cb 1.98 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 63.65 1l8y h SER 17 CO -0.00 1.56 -1.69 1.33 -0.53 0.00 0.00 176.83 177.49 1l8y n VAL 18 N -3.77 0.68 -0.46 2.23 0.24 0.34 -4.60 118.33 112.99 1l8y n VAL 18 Ca -0.13 -0.22 0.37 0.00 -2.04 0.00 0.00 64.34 62.33 1l8y n VAL 18 Cb 0.97 -1.29 0.60 0.00 -1.47 0.00 0.00 33.84 32.65 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 -3.21 -0.13 0.08 1.34 3.06 0.58 0.28 119.36 121.36 1l8y n ILE 19 Ca -0.23 1.39 -0.06 0.00 -2.50 0.00 0.00 62.75 61.35 1l8y n ILE 19 Cb 0.70 -2.28 -0.05 0.00 0.54 0.00 0.00 39.64 38.54 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 0.00 0.99 4.50 0.00 -1.78 0.71 103.07 107.50 1l8y h GLY 20 Ca 0.74 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.07 1l8y h GLY 20 CO -0.25 0.00 -0.53 1.34 0.00 0.00 0.00 176.54 177.10 1l8y n ASP 21 N -3.46 0.52 -0.14 0.19 2.03 0.80 -2.57 116.55 113.92 1l8y n ASP 21 Ca -0.00 -0.23 -0.29 0.00 0.52 0.00 0.00 54.79 54.78 1l8y n ASP 21 Cb 0.86 0.27 -0.10 0.00 -0.72 0.00 0.00 41.12 41.43 1l8y n ASP 21 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1l8y n TYR 22 N -1.56 0.00 -0.14 -0.67 4.01 0.11 -3.89 117.16 115.01 1l8y n TYR 22 Ca 0.05 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.75 1l8y n TYR 22 Cb 0.35 -0.99 0.15 0.00 -0.31 0.00 0.00 39.34 38.53 1l8y n TYR 22 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1l8y h LEU 23 N -0.97 0.83 0.90 7.72 7.12 0.29 -3.25 115.31 127.95 1l8y h LEU 23 Ca -0.70 -0.18 -0.04 0.00 0.13 0.00 0.00 57.88 57.08 1l8y h LEU 23 Cb 1.62 -0.22 0.01 0.00 -0.53 0.00 0.00 40.66 41.54 1l8y h LEU 23 CO -0.42 0.85 -0.43 0.00 -0.13 0.00 0.00 178.44 178.31 1l8y h ALA 24 N 1.25 -1.20 -0.31 1.25 0.00 -1.64 -0.97 119.26 117.63 1l8y h ALA 24 Ca 0.17 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1l8y h ALA 24 Cb 0.40 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 1l8y h ALA 24 CO 0.01 -1.16 -0.04 2.89 0.00 0.00 0.00 179.25 180.95 1l8y n ARG 25 N -5.60 -0.03 -0.08 0.00 1.85 -1.22 0.17 116.66 111.75 1l8y n ARG 25 Ca -0.16 0.48 -0.12 0.00 -1.00 0.00 0.00 57.85 57.06 1l8y n ARG 25 Cb 0.48 -0.74 -0.15 0.00 -1.05 0.00 0.00 32.46 31.00 1l8y n ARG 25 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1l8y n PHE 26 N -4.37 0.34 -1.35 2.89 -0.00 -1.23 -5.05 117.46 108.69 1l8y n PHE 26 Ca 0.06 0.11 0.00 0.00 -0.00 0.00 0.00 57.45 57.62 1l8y n PHE 26 Cb 0.20 -1.06 0.00 0.00 -0.00 0.00 0.00 39.48 38.62 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 -2.95 0.00 -0.04 -4.13 0.00 0.45 -4.60 118.16 106.88 1l8y n LYS 27 Ca -0.31 0.45 0.00 0.00 0.00 0.00 0.00 58.31 58.45 1l8y n LYS 27 Cb 1.10 -1.35 0.00 0.00 0.00 0.00 0.00 35.03 34.78 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 -0.67 0.00 -1.63 3.14 5.15 -1.08 -4.94 115.26 115.22 1l8y n ASN 28 Ca 0.00 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1l8y n ASN 28 Cb 0.22 0.00 0.26 0.00 -0.53 0.00 0.00 39.78 39.74 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 4.30 0.00 1.20 -0.08 -1.26 -4.75 116.55 115.97 1l8y n ASP 29 Ca 0.00 -2.81 0.00 0.00 -1.51 0.00 0.00 54.79 50.47 1l8y n ASP 29 Cb 0.00 -0.67 0.00 0.00 2.34 0.00 0.00 41.12 42.79 1l8y n ASP 29 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1l8y n ARG 30 N 0.18 0.00 -0.17 -0.67 0.63 -1.26 -2.43 116.66 112.94 1l8y n ARG 30 Ca 0.26 0.00 0.17 0.00 -0.92 0.00 0.00 57.85 57.36 1l8y n ARG 30 Cb 1.06 0.00 0.30 0.00 0.45 0.00 0.00 32.46 34.27 1l8y n ARG 30 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1l8y n VAL 31 N -1.96 -0.20 0.23 5.15 0.31 -1.26 0.25 118.33 120.85 1l8y n VAL 31 Ca 0.00 1.01 -0.13 0.00 -0.01 0.00 0.00 64.34 65.21 1l8y n VAL 31 Cb 0.00 -1.64 -0.07 0.00 -0.91 0.00 0.00 33.84 31.22 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 -0.60 -1.13 5.55 1.57 -1.80 -3.06 116.57 117.10 1l8y h LYS 32 Ca 0.43 0.04 0.32 0.00 -1.87 0.00 0.00 60.65 59.57 1l8y h LYS 32 Cb 1.17 0.14 -0.09 0.00 0.08 0.00 0.00 32.23 33.53 1l8y h LYS 32 CO -0.37 -0.30 0.76 0.00 -0.57 0.00 0.00 179.45 178.97 1l8y h ALA 33 N -0.77 2.58 -0.11 3.86 0.00 0.31 0.88 119.26 126.01 1l8y h ALA 33 Ca -0.06 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1l8y h ALA 33 Cb 0.57 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1l8y h ALA 33 CO 0.10 -1.00 -0.03 1.25 0.00 0.00 0.00 179.25 179.57 1l8y h LEU 34 N 0.23 -0.12 0.09 0.00 6.46 -1.08 -2.30 115.31 118.60 1l8y h LEU 34 Ca 0.62 0.04 -0.34 0.00 -0.12 0.00 0.00 57.88 58.07 1l8y h LEU 34 Cb 1.90 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 41.88 1l8y h LEU 34 CO -0.23 -0.05 -1.90 0.11 -0.62 0.00 0.00 178.44 175.75 1l8y h LYS 35 N -0.01 0.20 -0.24 1.25 1.79 -0.99 -2.23 116.57 116.35 1l8y h LYS 35 Ca 0.05 -0.34 0.07 0.00 -2.18 0.00 0.00 60.65 58.25 1l8y h LYS 35 Cb 0.09 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 1l8y h LYS 35 CO -0.12 1.03 0.39 0.00 -1.08 0.00 0.00 179.45 179.67 1l8y h ALA 36 N 0.33 1.80 0.00 3.86 0.00 0.66 0.29 119.26 126.19 1l8y h ALA 36 Ca -0.38 -0.01 -0.43 0.00 0.00 0.00 0.00 54.91 54.09 1l8y h ALA 36 Cb 2.03 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.78 1l8y h ALA 36 CO 0.09 -0.51 -2.43 -0.12 0.00 0.00 0.00 179.25 176.27 1l8y n MET 37 N -3.39 0.58 0.19 0.00 0.00 -0.87 -4.04 117.12 109.60 1l8y n MET 37 Ca 0.03 0.25 -0.08 0.00 -0.00 0.00 0.00 57.70 57.91 1l8y n MET 37 Cb 0.51 -1.48 -0.04 0.00 0.00 0.00 0.00 33.22 32.22 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 -0.99 -0.49 -0.14 2.12 4.81 -0.91 -1.99 114.58 116.99 1l8y h GLU 38 Ca -0.65 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 58.65 1l8y h GLU 38 Cb 1.57 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 31.06 1l8y h GLU 38 CO -0.40 -0.33 0.23 0.52 -0.73 0.00 0.00 179.01 178.31 1l8y h MET 39 N -0.71 0.00 0.00 1.92 2.86 -0.66 0.81 114.93 119.15 1l8y h MET 39 Ca -0.05 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1l8y h MET 39 Cb 0.39 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 1l8y h MET 39 CO 0.09 0.00 -0.52 1.15 1.06 0.00 0.00 176.91 178.68 1l8y h THR 40 N 0.00 0.05 0.03 2.22 2.02 -1.47 -2.66 112.91 113.10 1l8y h THR 40 Ca 0.07 -1.08 -0.36 0.00 0.77 0.00 0.00 66.41 65.81 1l8y h THR 40 Cb 0.53 1.79 -0.05 0.00 -1.74 0.00 0.00 68.15 68.68 1l8y h THR 40 CO -0.00 0.03 -2.16 1.87 0.37 0.00 0.00 175.52 175.62 1l8y n TRP 41 N -2.91 0.54 0.04 3.16 -0.00 0.12 -4.24 117.44 114.16 1l8y n TRP 41 Ca 0.02 0.15 -0.20 0.00 -0.00 0.00 0.00 57.50 57.47 1l8y n TRP 41 Cb 0.56 -1.08 -0.14 0.00 -0.00 0.00 0.00 31.31 30.64 1l8y n TRP 41 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1l8y h ASN 42 N 0.02 0.44 -0.03 5.87 2.35 -1.25 -3.22 115.58 119.75 1l8y h ASN 42 Ca -0.47 -0.95 0.01 0.00 -0.55 0.00 0.00 56.30 54.34 1l8y h ASN 42 Cb 2.05 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 40.27 1l8y h ASN 42 CO 0.02 1.39 0.18 -0.55 -1.65 0.00 0.00 177.43 176.82 1l8y h ASN 43 N -0.40 0.00 -0.28 5.81 -0.00 -1.68 0.36 115.58 119.38 1l8y h ASN 43 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.15 1l8y h ASN 43 Cb 1.62 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.94 1l8y h ASN 43 CO 0.14 0.00 0.00 0.80 -0.00 0.00 0.00 177.43 178.37 1l8y n MET 44 N -3.09 2.31 0.00 4.14 1.56 -1.23 -5.06 117.12 115.74 1l8y n MET 44 Ca -0.02 -1.96 0.00 0.00 -0.27 0.00 0.00 57.70 55.45 1l8y n MET 44 Cb 0.25 -1.48 0.00 0.00 2.15 0.00 0.00 33.22 34.13 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 1.20 0.00 -0.54 2.12 -0.58 0.13 -2.48 120.64 120.49 1l8y n GLU 45 Ca 0.18 0.00 0.44 0.00 -0.42 0.00 0.00 57.16 57.36 1l8y n GLU 45 Cb 0.54 0.00 0.76 0.00 -0.57 0.00 0.00 31.44 32.18 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 0.00 0.03 -0.22 3.49 3.64 -1.87 -1.95 116.57 119.68 1l8y h LYS 46 Ca 0.00 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1l8y h LYS 46 Cb 0.00 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.74 1l8y h LYS 46 CO 0.00 0.02 -0.50 -0.22 -2.27 0.00 0.00 179.45 176.48 1l8y h LYS 47 N 0.03 -0.48 0.00 1.90 1.63 -1.84 -2.75 116.57 115.06 1l8y h LYS 47 Ca 0.80 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.63 1l8y h LYS 47 Cb 3.05 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 34.79 1l8y h LYS 47 CO -0.09 -0.32 -0.01 1.49 -3.45 0.00 0.00 179.45 177.08 1l8y h GLU 48 N -0.50 0.00 0.00 1.90 4.57 -1.41 -3.37 114.58 115.77 1l8y h GLU 48 Ca 0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1l8y h GLU 48 Cb 0.64 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 1l8y h GLU 48 CO -0.47 0.00 0.00 1.63 -1.18 0.00 0.00 179.01 178.99 1l8y n LYS 49 N -4.16 0.00 -0.30 1.92 5.02 -1.08 -0.67 118.16 118.89 1l8y n LYS 49 Ca -0.00 0.53 0.26 0.00 -2.02 0.00 0.00 58.31 57.08 1l8y n LYS 49 Cb 0.00 -1.04 0.45 0.00 -0.02 0.00 0.00 35.03 34.42 1l8y n LYS 49 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1l8y n LEU 50 N -1.15 0.17 0.02 -0.35 7.99 -1.04 0.61 117.00 123.24 1l8y n LEU 50 Ca 0.00 1.00 -0.19 0.00 -0.01 0.00 0.00 56.01 56.81 1l8y n LEU 50 Cb 0.00 -0.49 -0.14 0.00 -0.11 0.00 0.00 43.42 42.68 1l8y n LEU 50 CO 0.00 -1.09 0.06 0.24 -1.51 0.00 0.00 177.39 175.09 1l8y h MET 51 N 0.00 0.23 -0.75 3.23 2.86 -1.41 -3.32 114.93 115.76 1l8y h MET 51 Ca 0.60 -0.39 0.16 0.00 -2.06 0.00 0.00 59.70 58.01 1l8y h MET 51 Cb 1.86 0.15 -0.14 0.00 0.06 0.00 0.00 31.60 33.52 1l8y h MET 51 CO -0.37 1.19 -0.13 -1.49 1.06 0.00 0.00 176.91 177.17 1l8y h TRP 52 N -0.51 -0.29 -0.07 -0.22 4.06 0.25 -0.21 115.95 118.96 1l8y h TRP 52 Ca -0.13 0.06 0.01 0.00 2.06 0.00 0.00 58.89 60.90 1l8y h TRP 52 Cb 1.52 0.25 -0.03 0.00 -1.00 0.00 0.00 29.16 29.89 1l8y h TRP 52 CO 0.21 -0.30 -0.26 -0.84 -3.56 0.00 0.00 178.44 173.68 1l8y h ILE 53 N 0.03 0.00 -0.53 1.49 -2.65 -1.62 -0.60 117.51 113.62 1l8y h ILE 53 Ca 0.38 0.00 0.15 0.00 1.03 0.00 0.00 64.86 66.42 1l8y h ILE 53 Cb 0.61 0.00 -0.02 0.00 -2.05 0.00 0.00 36.82 35.36 1l8y h ILE 53 CO -0.74 0.00 0.51 0.50 0.03 0.00 0.00 178.15 178.45 1l8y h LYS 54 N -0.28 0.00 0.09 0.16 3.64 -1.34 1.55 116.57 120.39 1l8y h LYS 54 Ca 0.02 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1l8y h LYS 54 Cb 0.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1l8y h LYS 54 CO -0.21 0.00 -0.04 -0.22 -2.27 0.00 0.00 179.45 176.70 1l8y h LYS 55 N 0.00 -0.12 0.00 1.90 3.64 0.55 1.69 116.57 124.22 1l8y h LYS 55 Ca 0.25 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1l8y h LYS 55 Cb 1.27 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1l8y h LYS 55 CO -0.00 -0.00 -0.69 0.00 -2.27 0.00 0.00 179.45 176.49 1l8y h ALA 56 N 0.69 0.61 0.00 5.00 0.00 -0.91 -2.49 119.26 122.16 1l8y h ALA 56 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 1l8y h ALA 56 Cb 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1l8y h ALA 56 CO 0.02 0.00 -0.89 0.00 0.00 0.00 0.00 179.25 178.38 1l8y h ALA 57 N 2.25 0.50 -0.00 0.00 0.00 0.24 1.84 119.26 124.09 1l8y h ALA 57 Ca 0.00 -0.73 -0.18 0.00 0.00 0.00 0.00 54.91 54.00 1l8y h ALA 57 Cb 0.88 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1l8y h ALA 57 CO 0.00 0.91 -0.83 1.49 0.00 0.00 0.00 179.25 180.82 1l8y h GLU 58 N 0.12 0.14 0.05 0.00 4.57 0.25 -3.05 114.58 116.66 1l8y h GLU 58 Ca -0.05 -0.15 -0.23 0.00 -1.18 0.00 0.00 59.36 57.75 1l8y h GLU 58 Cb 1.52 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 30.14 1l8y h GLU 58 CO 0.14 0.89 -1.04 -0.44 -1.18 0.00 0.00 179.01 177.38 1l8y h ASP 59 N 0.08 0.30 -0.28 1.04 5.19 -1.11 -3.16 116.42 118.50 1l8y h ASP 59 Ca -0.03 -0.29 0.08 0.00 -0.62 0.00 0.00 57.03 56.17 1l8y h ASP 59 Cb 1.44 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.84 1l8y h ASP 59 CO 0.12 1.16 0.39 -0.61 -3.12 0.00 0.00 179.24 177.18 1l8y h GLN 60 N 0.09 0.00 -0.74 3.56 4.15 0.30 0.51 115.11 122.98 1l8y h GLN 60 Ca -0.07 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1l8y h GLN 60 Cb 1.73 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 29.38 1l8y h GLN 60 CO 0.16 0.00 0.48 -0.22 -1.93 0.00 0.00 178.83 177.32 1l8y h LYS 61 N 0.00 0.98 -0.27 1.69 3.64 -1.60 0.80 116.57 121.81 1l8y h LYS 61 Ca 0.13 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1l8y h LYS 61 Cb 0.92 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 1l8y h LYS 61 CO -0.00 0.66 0.17 0.00 -2.27 0.00 0.00 179.45 178.01 1l8y h ARG 62 N 1.00 0.34 0.10 1.90 3.08 -0.16 -0.33 114.38 120.30 1l8y h ARG 62 Ca 0.27 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.29 1l8y h ARG 62 Cb -0.10 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.88 1l8y h ARG 62 CO -0.06 0.22 -0.05 0.10 -1.07 0.00 0.00 179.97 179.12 1l8y h TYR 63 N 0.35 -0.12 -0.57 3.04 -0.00 -1.39 -2.17 116.97 116.11 1l8y h TYR 63 Ca 0.10 -0.00 0.12 0.00 0.00 0.00 0.00 58.73 58.95 1l8y h TYR 63 Cb -0.02 0.04 -0.11 0.00 0.00 0.00 0.00 36.73 36.64 1l8y h TYR 63 CO -0.07 0.10 -0.11 1.49 -0.00 0.00 0.00 178.16 179.58 1l8y h GLU 64 N -0.33 0.03 0.00 0.10 4.81 -0.63 0.87 114.58 119.42 1l8y h GLU 64 Ca -0.01 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1l8y h GLU 64 Cb 0.28 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 1l8y h GLU 64 CO 0.02 0.02 -0.04 -0.09 -0.73 0.00 0.00 179.01 178.19 1l8y h ARG 65 N 0.03 0.00 0.00 1.92 9.65 -0.95 -1.73 114.38 123.30 1l8y h ARG 65 Ca 0.28 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.16 1l8y h ARG 65 Cb 0.44 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.02 1l8y h ARG 65 CO -0.57 0.04 0.00 0.39 2.80 0.00 0.00 179.97 182.63 1l8y n GLU 66 N -3.52 0.00 0.43 0.20 4.71 0.30 -2.77 120.64 119.98 1l8y n GLU 66 Ca -0.02 0.26 -0.17 0.00 -0.01 0.00 0.00 57.16 57.22 1l8y n GLU 66 Cb 0.15 -1.03 -0.08 0.00 -1.01 0.00 0.00 31.44 29.47 1l8y n GLU 66 CO 0.00 0.00 0.00 1.37 0.09 0.00 0.00 177.13 178.59 1l8y h LEU 67 N 0.00 -0.92 -1.56 -4.62 -0.00 -1.44 -2.89 115.31 103.88 1l8y h LEU 67 Ca 0.00 0.03 0.13 0.00 -0.00 0.00 0.00 57.88 58.04 1l8y h LEU 67 Cb 0.00 0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.88 1l8y h LEU 67 CO 0.00 -0.64 0.67 -1.28 -0.00 0.00 0.00 178.44 177.18 1l8y h SER 68 N -1.12 0.00 -0.38 0.17 0.87 -1.53 0.68 113.55 112.24 1l8y h SER 68 Ca -0.11 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.56 1l8y h SER 68 Cb 0.83 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.78 1l8y h SER 68 CO 0.18 0.00 0.40 -0.33 -0.53 0.00 0.00 176.83 176.55 1l8y h GLU 69 N 0.00 0.00 -0.17 2.24 4.39 -1.32 0.22 114.58 119.94 1l8y h GLU 69 Ca 0.20 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.77 1l8y h GLU 69 Cb 1.53 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.17 1l8y h GLU 69 CO -0.00 0.00 -0.46 1.98 -1.16 0.00 0.00 179.01 179.37 1l8y h MET 70 N 0.00 0.41 -1.04 2.33 4.05 -1.03 -3.11 114.93 116.53 1l8y h MET 70 Ca 0.18 -0.22 -0.66 0.00 -0.28 0.00 0.00 59.70 58.72 1l8y h MET 70 Cb 0.97 0.01 -0.32 0.00 -0.80 0.00 0.00 31.60 31.46 1l8y h MET 70 CO -0.00 0.79 0.48 -2.13 0.23 0.00 0.00 176.91 176.28 1l8y n ARG 71 N -3.99 2.92 -2.89 0.39 3.00 0.76 -4.59 116.66 112.26 1l8y n ARG 71 Ca -0.02 -3.53 -0.13 0.00 -0.00 0.00 0.00 57.85 54.17 1l8y n ARG 71 Cb 0.53 -2.29 0.02 0.00 0.00 0.00 0.00 32.46 30.72 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 -0.83 2.40 -0.18 5.13 0.00 -1.13 -4.96 120.51 120.94 1l8y n ALA 72 Ca 0.57 -3.00 -0.02 0.00 0.00 0.00 0.00 53.44 51.00 1l8y n ALA 72 Cb 0.69 -0.95 0.08 0.00 0.00 0.00 0.00 19.45 19.27 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 2.93 0.40 -0.97 0.00 0.11 -1.81 -0.93 132.00 131.73 1l8y h PRO 73 Ca -0.03 -0.02 -0.28 0.00 0.11 0.00 0.00 66.00 65.78 1l8y h PRO 73 Cb 1.10 -0.09 -0.17 0.00 0.11 0.00 0.00 31.00 31.95 1l8y h PRO 73 CO 0.43 0.27 0.35 -0.35 -0.21 0.00 0.00 178.00 178.49 1l8y n PRO 74 N -4.97 1.97 -0.58 1.05 -0.04 -1.26 -3.93 135.00 127.24 1l8y n PRO 74 Ca 0.07 -1.86 0.05 0.00 -0.04 0.00 0.00 63.50 61.72 1l8y n PRO 74 Cb 0.22 -1.75 0.08 0.00 -0.04 0.00 0.00 33.50 32.00 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 2.39 -1.97 0.55 0.00 -0.35 -4.50 120.51 116.23 1l8y n ALA 75 Ca 0.34 -2.07 -0.05 0.00 0.00 0.00 0.00 53.44 51.66 1l8y n ALA 75 Cb 1.18 -0.49 -0.05 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.49 3.19 0.00 0.00 0.00 -1.24 -4.96 120.51 117.01 1l8y n ALA 76 Ca 0.09 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1l8y n ALA 76 Cb 0.77 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 0.00 0.00 -0.91 0.00 -1.04 -1.26 -4.95 114.28 106.12 1l8y n THR 77 Ca -0.22 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.59 1l8y n THR 77 Cb 0.64 0.00 0.15 0.00 -1.82 0.00 0.00 70.33 69.30 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 -1.08 3.79 -0.09 8.00 5.15 -1.26 -3.89 115.26 125.89 1l8y n ASN 78 Ca 0.00 -3.38 -0.12 0.00 -0.60 0.00 0.00 54.58 50.48 1l8y n ASN 78 Cb 0.00 -0.80 -0.04 0.00 -0.53 0.00 0.00 39.78 38.41 1l8y n ASN 78 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1l8y n SER 79 N -0.89 1.88 -0.05 1.20 2.88 -1.26 -4.91 113.62 112.46 1l8y n SER 79 Ca 0.51 0.32 -0.10 0.00 -1.33 0.00 0.00 58.87 58.27 1l8y n SER 79 Cb 1.47 -0.72 -0.03 0.00 -0.75 0.00 0.00 64.21 64.17 1l8y n SER 79 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1l8y n SER 80 N -4.35 1.05 0.03 -3.46 7.64 -1.26 -5.08 113.62 108.20 1l8y n SER 80 Ca -0.21 0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1l8y n SER 80 Cb 0.56 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 1l8y n SER 80 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1l8y n LYS 81 N -3.67 0.00 -2.99 1.43 2.85 -1.25 -5.11 118.16 109.42 1l8y n LYS 81 Ca -0.19 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.07 1l8y n LYS 81 Cb 0.54 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.91 1l8y n LYS 81 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1l8y n LYS 82 N -2.92 -1.69 -4.66 -1.58 4.76 -1.26 -4.75 118.16 106.05 1l8y n LYS 82 Ca 0.00 1.64 -0.30 0.00 -2.87 0.00 0.00 58.31 56.78 1l8y n LYS 82 Cb 0.00 -2.59 -0.09 0.00 -1.84 0.00 0.00 35.03 30.51 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 -1.05 2.45 0.00 -0.35 1.02 -1.26 -4.99 118.68 114.50 1l8y s LEU 83 Ca -0.02 -1.54 0.00 0.00 0.02 0.00 0.00 54.13 52.59 1l8y s LEU 83 Cb 0.00 -0.70 0.00 0.00 0.02 0.00 0.00 46.19 45.52 1l8y s LEU 83 CO 0.30 -0.71 0.00 1.21 0.02 0.00 0.00 176.35 177.17