#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 -3.20 0.16 1.61 0.00 -1.26 -5.01 118.16 110.45 1l8y n LYS 2 Ca 0.00 2.50 0.00 0.00 0.00 0.00 0.00 58.31 60.81 1l8y n LYS 2 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 35.03 31.80 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 2.07 -2.32 0.00 3.14 4.77 -1.26 -5.02 117.00 118.37 1l8y n LEU 3 Ca -0.23 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1l8y n LEU 3 Cb 0.35 2.29 0.00 0.00 -2.33 0.00 0.00 43.42 43.74 1l8y n LEU 3 CO 0.21 -0.13 0.47 -2.65 -1.33 0.00 0.00 177.39 173.96 1l8y n PRO 4 N -3.23 0.00 -2.40 3.23 -0.02 -1.26 -4.79 135.00 126.52 1l8y n PRO 4 Ca 0.00 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1l8y n PRO 4 Cb 0.00 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 1l8y n PRO 4 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1l8y n GLU 5 N -1.85 -0.50 -0.36 -0.52 2.13 -1.22 -4.76 120.64 113.57 1l8y n GLU 5 Ca 0.00 -0.25 -0.00 0.00 0.66 0.00 0.00 57.16 57.57 1l8y n GLU 5 Cb 0.00 0.45 0.15 0.00 0.27 0.00 0.00 31.44 32.31 1l8y n GLU 5 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1l8y h SER 6 N 1.74 1.08 -1.42 4.31 0.87 -1.87 -3.45 113.55 114.82 1l8y h SER 6 Ca 0.00 -0.02 -0.39 0.00 -1.23 0.00 0.00 61.79 60.15 1l8y h SER 6 Cb 0.00 -0.26 0.21 0.00 -0.44 0.00 0.00 62.40 61.91 1l8y h SER 6 CO 0.00 0.76 -1.75 -0.81 -0.53 0.00 0.00 176.83 174.50 1l8y n PRO 7 N -4.42 -0.65 -0.76 2.24 -0.04 -1.26 -4.98 135.00 125.12 1l8y n PRO 7 Ca 0.13 -0.19 -0.03 0.00 -0.04 0.00 0.00 63.50 63.37 1l8y n PRO 7 Cb 0.07 -1.23 -0.03 0.00 -0.04 0.00 0.00 33.50 32.27 1l8y n PRO 7 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1l8y n LYS 8 N 0.84 0.00 0.00 0.54 3.00 -1.19 -4.99 118.16 116.36 1l8y n LYS 8 Ca -0.00 -0.53 0.00 0.00 -0.00 0.00 0.00 58.31 57.77 1l8y n LYS 8 Cb 0.59 0.24 0.00 0.00 0.00 0.00 0.00 35.03 35.86 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 0.01 0.00 0.00 1.64 5.12 0.67 -3.05 116.66 121.04 1l8y n ARG 9 Ca -0.14 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.78 1l8y n ARG 9 Cb 0.61 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.91 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 5.55 -0.06 0.29 7.54 0.00 -0.21 -2.73 120.51 130.89 1l8y n ALA 10 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1l8y n ALA 10 Cb 0.00 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.13 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 -1.55 -2.18 114.58 115.24 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 -1.91 -1.16 0.00 0.00 179.01 175.94 1l8y n GLU 12 N -2.94 0.00 -0.16 2.33 0.00 0.93 -2.17 120.64 118.64 1l8y n GLU 12 Ca -0.00 0.48 -0.03 0.00 0.00 0.00 0.00 57.16 57.61 1l8y n GLU 12 Cb 0.53 -0.99 0.04 0.00 0.00 0.00 0.00 31.44 31.02 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 0.52 0.05 6.31 6.09 -1.02 -2.80 117.51 126.66 1l8y h ILE 13 Ca 0.00 -0.01 -0.00 0.00 -1.37 0.00 0.00 64.86 63.48 1l8y h ILE 13 Cb 0.00 0.50 0.00 0.00 0.47 0.00 0.00 36.82 37.79 1l8y h ILE 13 CO 0.00 0.00 -0.02 -0.25 -3.07 0.00 0.00 178.15 174.81 1l8y h TRP 14 N 0.02 -0.06 -0.07 2.19 7.01 -1.59 -2.33 115.95 121.12 1l8y h TRP 14 Ca 0.24 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.25 1l8y h TRP 14 Cb 0.37 0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.43 1l8y h TRP 14 CO -0.40 0.52 -0.16 0.37 -2.79 0.00 0.00 178.44 175.98 1l8y h GLN 15 N -0.71 -0.14 -0.87 2.65 4.15 -1.35 0.40 115.11 119.24 1l8y h GLN 15 Ca -0.01 0.01 0.23 0.00 0.77 0.00 0.00 58.65 59.66 1l8y h GLN 15 Cb 0.60 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.28 1l8y h GLN 15 CO 0.01 -0.10 0.61 1.96 -1.93 0.00 0.00 178.83 179.38 1l8y h GLN 16 N -0.15 0.14 0.01 1.69 1.08 -1.65 0.96 115.11 117.20 1l8y h GLN 16 Ca 0.01 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1l8y h GLN 16 Cb 0.19 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1l8y h GLN 16 CO -0.14 0.09 -0.01 0.77 -0.95 0.00 0.00 178.83 178.59 1l8y h SER 17 N 0.15 -0.02 0.00 1.46 0.02 0.04 -3.31 113.55 111.89 1l8y h SER 17 Ca 0.43 -0.22 -0.36 0.00 -0.84 0.00 0.00 61.79 60.80 1l8y h SER 17 Cb 1.47 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.96 1l8y h SER 17 CO -0.07 0.21 -1.94 1.33 -1.14 0.00 0.00 176.83 175.22 1l8y n VAL 18 N -4.99 1.54 -0.38 2.27 0.24 0.11 -4.40 118.33 112.71 1l8y n VAL 18 Ca -0.08 -0.23 0.32 0.00 -2.04 0.00 0.00 64.34 62.32 1l8y n VAL 18 Cb 0.14 -1.95 0.55 0.00 -1.47 0.00 0.00 33.84 31.11 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 -4.31 -0.21 -0.09 1.34 3.06 0.32 0.18 119.36 119.66 1l8y n ILE 19 Ca -0.44 1.47 -0.11 0.00 -2.50 0.00 0.00 62.75 61.17 1l8y n ILE 19 Cb 0.80 -2.40 -0.04 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 0.50 2.00 4.50 0.00 -1.72 1.11 103.07 109.46 1l8y h GLY 20 Ca 0.71 -0.35 -0.16 0.00 0.00 0.00 0.00 47.33 47.53 1l8y h GLY 20 CO -0.38 0.32 -0.75 -1.80 0.00 0.00 0.00 176.54 173.93 1l8y h ASP 21 N 0.26 0.00 -0.10 0.19 3.58 0.17 -0.25 116.42 120.27 1l8y h ASP 21 Ca 0.08 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.36 1l8y h ASP 21 Cb 0.38 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.44 1l8y h ASP 21 CO 0.01 0.75 -0.60 1.88 -2.88 0.00 0.00 179.24 178.40 1l8y h TYR 22 N 0.00 0.80 0.00 0.28 -1.99 0.82 -2.20 116.97 114.67 1l8y h TYR 22 Ca -0.01 -0.36 -0.15 0.00 2.00 0.00 0.00 58.73 60.22 1l8y h TYR 22 Cb 1.49 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 40.07 1l8y h TYR 22 CO 0.00 1.16 -0.69 -0.07 -0.00 0.00 0.00 178.16 178.55 1l8y h LEU 23 N 0.21 0.00 0.16 3.88 3.38 0.13 -3.25 115.31 119.81 1l8y h LEU 23 Ca -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1l8y h LEU 23 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1l8y h LEU 23 CO 0.12 0.69 -0.07 0.00 0.09 0.00 0.00 178.44 179.27 1l8y h ALA 24 N 1.31 -0.21 -1.56 1.53 0.00 -0.98 1.24 119.26 120.58 1l8y h ALA 24 Ca -0.01 -0.10 0.45 0.00 0.00 0.00 0.00 54.91 55.26 1l8y h ALA 24 Cb 1.23 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 1l8y h ALA 24 CO 0.09 -0.56 1.12 0.07 0.00 0.00 0.00 179.25 179.98 1l8y h ARG 25 N -0.33 0.00 -0.04 0.00 0.11 -1.43 -0.38 114.38 112.31 1l8y h ARG 25 Ca -0.02 -0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.88 1l8y h ARG 25 Cb 0.26 -0.00 -0.38 0.00 1.11 0.00 0.00 29.97 30.96 1l8y h ARG 25 CO 0.04 0.00 -1.03 0.34 0.10 0.00 0.00 179.97 179.42 1l8y n PHE 26 N -4.07 0.12 -2.05 4.08 7.35 -1.10 -4.98 117.46 116.81 1l8y n PHE 26 Ca 0.35 -0.69 -0.02 0.00 -0.76 0.00 0.00 57.45 56.33 1l8y n PHE 26 Cb 1.61 -0.16 -0.00 0.00 0.35 0.00 0.00 39.48 41.28 1l8y n PHE 26 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 1l8y n LYS 27 N 0.35 -2.33 0.00 -4.13 -0.00 0.37 -3.38 118.16 109.03 1l8y n LYS 27 Ca 0.07 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 1l8y n LYS 27 Cb 1.10 -3.24 0.00 0.00 -0.00 0.00 0.00 35.03 32.89 1l8y n LYS 27 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1l8y n ASN 28 N -1.11 0.00 -0.09 -5.58 4.13 0.21 -4.94 115.26 107.89 1l8y n ASN 28 Ca 0.01 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.27 1l8y n ASN 28 Cb 0.36 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.60 1l8y n ASN 28 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1l8y n ASP 29 N 0.00 0.10 -0.01 6.41 2.03 -1.20 -4.49 116.55 119.39 1l8y n ASP 29 Ca 0.00 -1.09 -0.00 0.00 0.52 0.00 0.00 54.79 54.21 1l8y n ASP 29 Cb 0.00 -0.05 -0.00 0.00 -0.72 0.00 0.00 41.12 40.35 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 -0.37 -0.01 -0.31 -0.67 3.00 -1.26 0.24 116.66 117.28 1l8y n ARG 30 Ca 0.00 0.13 0.15 0.00 -0.00 0.00 0.00 57.85 58.12 1l8y n ARG 30 Cb 0.02 -0.19 0.31 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 h VAL 31 N 0.00 0.22 0.00 5.15 2.07 -1.99 0.96 116.25 122.67 1l8y h VAL 31 Ca 0.00 -0.05 -0.14 0.00 0.82 0.00 0.00 66.70 67.33 1l8y h VAL 31 Cb 0.01 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.82 1l8y h VAL 31 CO -0.02 0.03 -0.87 0.11 0.02 0.00 0.00 177.57 176.84 1l8y h LYS 32 N 0.14 0.00 0.00 1.57 1.79 0.28 -3.11 116.57 117.24 1l8y h LYS 32 Ca 0.58 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.05 1l8y h LYS 32 Cb 1.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1l8y h LYS 32 CO -0.73 0.51 0.00 0.00 -1.08 0.00 0.00 179.45 178.15 1l8y n ALA 33 N -2.30 -0.09 -0.29 3.86 0.00 0.40 -0.86 120.51 121.23 1l8y n ALA 33 Ca -0.02 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.67 1l8y n ALA 33 Cb 0.80 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.83 1l8y n ALA 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1l8y h LEU 34 N 0.00 0.31 0.24 0.00 6.46 -0.41 -1.17 115.31 120.74 1l8y h LEU 34 Ca 0.00 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 1l8y h LEU 34 Cb 0.00 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1l8y h LEU 34 CO 0.00 0.08 -0.12 0.50 -0.62 0.00 0.00 178.44 178.28 1l8y h LYS 35 N 0.28 -0.31 -0.80 1.25 1.63 -1.63 -2.86 116.57 114.12 1l8y h LYS 35 Ca 0.54 0.02 0.19 0.00 -0.85 0.00 0.00 60.65 60.55 1l8y h LYS 35 Cb 1.58 0.07 -0.14 0.00 -0.60 0.00 0.00 32.23 33.14 1l8y h LYS 35 CO -0.18 -0.06 0.03 0.00 -3.45 0.00 0.00 179.45 175.79 1l8y h ALA 36 N -0.82 0.89 -0.06 5.00 0.00 -0.34 0.18 119.26 124.11 1l8y h ALA 36 Ca -0.03 0.25 0.04 0.00 0.00 0.00 0.00 54.91 55.17 1l8y h ALA 36 Cb 0.40 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1l8y h ALA 36 CO 0.05 -0.44 -0.27 1.98 0.00 0.00 0.00 179.25 180.57 1l8y h MET 37 N 0.11 -0.36 0.83 0.00 1.85 -1.32 1.06 114.93 117.10 1l8y h MET 37 Ca 0.45 0.02 -0.04 0.00 -0.61 0.00 0.00 59.70 59.53 1l8y h MET 37 Cb 0.83 0.08 0.00 0.00 0.43 0.00 0.00 31.60 32.95 1l8y h MET 37 CO -0.70 -0.24 -0.44 1.49 -0.40 0.00 0.00 176.91 176.62 1l8y h GLU 38 N -0.38 -1.12 -0.99 0.39 4.81 -0.52 0.20 114.58 116.96 1l8y h GLU 38 Ca 0.08 0.08 0.11 0.00 -0.13 0.00 0.00 59.36 59.50 1l8y h GLU 38 Cb 0.49 0.26 -0.08 0.00 0.63 0.00 0.00 28.75 30.05 1l8y h GLU 38 CO -0.28 -0.75 0.63 0.52 -0.73 0.00 0.00 179.01 178.40 1l8y h MET 39 N -1.17 0.97 -0.00 1.92 2.86 -0.75 0.30 114.93 119.07 1l8y h MET 39 Ca -0.11 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1l8y h MET 39 Cb 0.91 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.35 1l8y h MET 39 CO 0.16 0.64 -0.00 2.41 1.06 0.00 0.00 176.91 181.18 1l8y n THR 40 N -4.59 0.00 -0.13 2.22 -1.04 0.37 -2.14 114.28 108.96 1l8y n THR 40 Ca 0.18 -0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.95 1l8y n THR 40 Cb 0.34 -0.48 -0.11 0.00 -1.82 0.00 0.00 70.33 68.25 1l8y n THR 40 CO 0.00 0.00 0.00 1.87 -0.64 0.00 0.00 175.07 176.30 1l8y n TRP 41 N -1.06 0.00 0.12 -1.42 -0.00 0.94 -4.44 117.44 111.57 1l8y n TRP 41 Ca 0.21 0.00 -0.20 0.00 -0.00 0.00 0.00 57.50 57.51 1l8y n TRP 41 Cb 0.15 -0.99 -0.15 0.00 -0.00 0.00 0.00 31.31 30.32 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 -0.47 0.62 -0.60 5.87 2.35 -1.26 -3.22 115.58 118.87 1l8y h ASN 42 Ca -0.64 -0.70 0.17 0.00 -0.55 0.00 0.00 56.30 54.59 1l8y h ASN 42 Cb 1.76 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.90 1l8y h ASN 42 CO -0.25 1.56 0.53 -0.55 -1.65 0.00 0.00 177.43 177.07 1l8y h ASN 43 N 0.11 0.00 0.00 5.81 -0.00 -1.65 -3.30 115.58 116.54 1l8y h ASN 43 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.08 1l8y h ASN 43 Cb 2.08 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 40.40 1l8y h ASN 43 CO 0.23 0.00 0.00 0.80 -0.00 0.00 0.00 177.43 178.46 1l8y n MET 44 N -3.96 0.00 -3.74 4.14 1.56 -1.22 -5.10 117.12 108.81 1l8y n MET 44 Ca 0.12 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.55 1l8y n MET 44 Cb 0.76 0.00 0.00 0.00 2.15 0.00 0.00 33.22 36.13 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 -0.03 0.26 2.12 2.13 -1.25 -4.94 120.64 118.93 1l8y n GLU 45 Ca 0.00 0.00 0.17 0.00 0.66 0.00 0.00 57.16 57.99 1l8y n GLU 45 Cb 0.00 0.00 0.80 0.00 0.27 0.00 0.00 31.44 32.51 1l8y n GLU 45 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1l8y h LYS 46 N 0.00 0.00 0.16 5.31 3.11 -1.94 -2.78 116.57 120.43 1l8y h LYS 46 Ca 0.00 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.83 1l8y h LYS 46 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 1l8y h LYS 46 CO 0.00 0.00 -0.15 -0.22 -2.81 0.00 0.00 179.45 176.27 1l8y h LYS 47 N 0.00 -0.29 0.00 1.90 1.63 -1.96 -2.96 116.57 114.89 1l8y h LYS 47 Ca 0.06 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1l8y h LYS 47 Cb 0.77 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.47 1l8y h LYS 47 CO -0.00 -0.20 0.00 0.39 -3.45 0.00 0.00 179.45 176.19 1l8y n GLU 48 N -3.20 0.00 0.00 1.90 -0.58 -1.06 -2.94 120.64 114.76 1l8y n GLU 48 Ca -0.04 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1l8y n GLU 48 Cb 0.14 -0.81 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 -0.71 0.00 0.19 3.49 5.02 -1.14 -0.29 118.16 124.71 1l8y n LYS 49 Ca 0.00 0.26 -0.17 0.00 -2.02 0.00 0.00 58.31 56.38 1l8y n LYS 49 Cb 0.00 -0.41 -0.10 0.00 -0.02 0.00 0.00 35.03 34.50 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 -1.46 -1.96 -0.35 7.12 -1.72 -1.93 115.31 115.01 1l8y h LEU 50 Ca 0.00 0.14 0.20 0.00 0.13 0.00 0.00 57.88 58.34 1l8y h LEU 50 Cb 0.00 0.51 -0.03 0.00 -0.53 0.00 0.00 40.66 40.62 1l8y h LEU 50 CO 0.00 -0.59 0.56 0.24 -0.13 0.00 0.00 178.44 178.52 1l8y h MET 51 N -0.85 0.00 -0.25 1.25 2.86 -1.09 0.76 114.93 117.61 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 0.79 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 1l8y h MET 51 CO -0.18 0.00 -0.30 -1.49 1.06 0.00 0.00 176.91 176.00 1l8y h TRP 52 N 0.00 0.60 0.26 -0.22 4.06 0.14 -2.73 115.95 118.05 1l8y h TRP 52 Ca 0.32 -0.14 0.01 0.00 2.06 0.00 0.00 58.89 61.13 1l8y h TRP 52 Cb 1.43 -0.14 -0.03 0.00 -1.00 0.00 0.00 29.16 29.42 1l8y h TRP 52 CO 0.00 0.77 -0.39 0.82 -3.56 0.00 0.00 178.44 176.08 1l8y h ILE 53 N 0.45 0.21 -0.18 1.49 2.04 0.86 -2.24 117.51 120.15 1l8y h ILE 53 Ca 0.06 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.96 1l8y h ILE 53 Cb 0.76 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1l8y h ILE 53 CO 0.06 0.00 0.13 0.50 0.00 0.00 0.00 178.15 178.84 1l8y h LYS 54 N -0.71 0.05 0.12 2.37 3.64 -1.41 2.03 116.57 122.66 1l8y h LYS 54 Ca -0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1l8y h LYS 54 Cb 0.68 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1l8y h LYS 54 CO -0.14 0.04 -0.06 -0.22 -2.27 0.00 0.00 179.45 176.80 1l8y h LYS 55 N 0.05 -0.15 0.00 1.90 3.11 -1.10 1.14 116.57 121.52 1l8y h LYS 55 Ca 0.08 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.93 1l8y h LYS 55 Cb 0.27 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.53 1l8y h LYS 55 CO -0.01 0.03 -0.66 0.00 -2.81 0.00 0.00 179.45 176.00 1l8y h ALA 56 N 0.55 0.65 0.03 5.00 0.00 -1.22 -2.34 119.26 121.94 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 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1l8y h ALA 56 CO 0.03 0.00 -0.97 0.00 0.00 0.00 0.00 179.25 178.31 1l8y h ALA 57 N 2.10 0.41 -0.02 0.00 0.00 0.34 1.44 119.26 123.53 1l8y h ALA 57 Ca 0.00 -0.78 -0.15 0.00 0.00 0.00 0.00 54.91 53.97 1l8y h ALA 57 Cb 0.95 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1l8y h ALA 57 CO 0.00 0.98 -0.71 1.49 0.00 0.00 0.00 179.25 181.01 1l8y h GLU 58 N 0.09 0.09 -0.00 0.00 4.57 0.13 -2.17 114.58 117.29 1l8y h GLU 58 Ca -0.06 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1l8y h GLU 58 Cb 1.64 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 30.24 1l8y h GLU 58 CO 0.15 0.76 -0.22 -0.25 -1.18 0.00 0.00 179.01 178.26 1l8y n ASP 59 N -3.74 0.46 0.00 1.04 8.00 -0.88 -3.58 116.55 117.85 1l8y n ASP 59 Ca -0.02 -0.31 0.13 0.00 0.71 0.00 0.00 54.79 55.30 1l8y n ASP 59 Cb 0.69 -0.04 0.58 0.00 -0.02 0.00 0.00 41.12 42.33 1l8y n ASP 59 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1l8y n GLN 60 N -1.18 0.01 0.22 -1.24 7.27 0.49 -3.32 117.38 119.63 1l8y n GLN 60 Ca 0.10 0.04 0.07 0.00 0.07 0.00 0.00 57.00 57.28 1l8y n GLN 60 Cb 0.32 -1.51 0.51 0.00 2.41 0.00 0.00 30.24 31.97 1l8y n GLN 60 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1l8y h LYS 61 N 0.00 0.00 0.00 3.69 1.57 -1.64 0.23 116.57 120.42 1l8y h LYS 61 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1l8y h LYS 61 Cb 0.48 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1l8y h LYS 61 CO 0.00 0.25 -0.65 -0.09 -0.57 0.00 0.00 179.45 178.38 1l8y h ARG 62 N 0.00 0.00 0.00 3.15 1.12 -1.83 -3.01 114.38 113.80 1l8y h ARG 62 Ca -0.00 0.00 -0.25 0.00 -1.11 0.00 0.00 59.98 58.62 1l8y h ARG 62 Cb 0.52 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 30.43 1l8y h ARG 62 CO 0.03 0.65 -2.25 0.66 -3.11 0.00 0.00 179.97 175.95 1l8y n TYR 63 N -3.73 0.00 0.28 2.20 4.01 -1.05 -4.13 117.16 114.75 1l8y n TYR 63 Ca -0.01 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.89 1l8y n TYR 63 Cb 0.65 -0.83 0.80 0.00 -0.31 0.00 0.00 39.34 39.65 1l8y n TYR 63 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 1l8y h GLU 64 N 0.00 0.00 0.00 -0.72 4.81 -0.60 -0.74 114.58 117.33 1l8y h GLU 64 Ca -0.37 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.82 1l8y h GLU 64 Cb 1.84 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.21 1l8y h GLU 64 CO 0.02 0.07 -0.21 0.07 -0.73 0.00 0.00 179.01 178.23 1l8y h ARG 65 N 0.00 0.00 0.00 1.92 0.11 -1.68 -2.47 114.38 112.26 1l8y h ARG 65 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1l8y h ARG 65 Cb 0.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.42 1l8y h ARG 65 CO 0.01 0.21 0.00 0.39 0.10 0.00 0.00 179.97 180.68 1l8y n GLU 66 N -3.39 0.00 0.18 0.08 -0.58 -0.29 -1.29 120.64 115.35 1l8y n GLU 66 Ca -0.00 0.23 -0.15 0.00 -0.42 0.00 0.00 57.16 56.81 1l8y n GLU 66 Cb 0.41 -1.18 -0.08 0.00 -0.57 0.00 0.00 31.44 30.02 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 -1.16 -1.87 -4.62 -0.00 -1.67 -1.79 115.31 104.19 1l8y h LEU 67 Ca 0.00 0.11 0.29 0.00 -0.00 0.00 0.00 57.88 58.28 1l8y h LEU 67 Cb 0.00 0.41 -0.04 0.00 -0.00 0.00 0.00 40.66 41.03 1l8y h LEU 67 CO 0.00 -0.52 0.81 -1.28 -0.00 0.00 0.00 178.44 177.45 1l8y h SER 68 N -0.74 0.00 -0.00 0.17 0.87 -1.57 1.01 113.55 113.29 1l8y h SER 68 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1l8y h SER 68 Cb 0.71 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1l8y h SER 68 CO -0.15 0.00 0.00 -1.84 -0.53 0.00 0.00 176.83 174.31 1l8y n GLU 69 N -3.93 1.11 -0.09 2.24 0.28 -0.41 -2.10 120.64 117.74 1l8y n GLU 69 Ca 0.21 -0.16 -0.23 0.00 -0.16 0.00 0.00 57.16 56.82 1l8y n GLU 69 Cb 1.14 -1.49 -0.12 0.00 1.43 0.00 0.00 31.44 32.41 1l8y n GLU 69 CO 0.00 0.00 0.00 -0.12 -0.16 0.00 0.00 177.13 176.85 1l8y n MET 70 N -0.80 0.63 -0.50 3.44 1.56 0.35 -4.41 117.12 117.40 1l8y n MET 70 Ca 0.23 0.38 0.08 0.00 -0.27 0.00 0.00 57.70 58.13 1l8y n MET 70 Cb 0.15 -1.66 0.30 0.00 2.15 0.00 0.00 33.22 34.15 1l8y n MET 70 CO 0.00 0.00 0.00 2.89 -0.73 0.00 0.00 175.97 178.13 1l8y n ARG 71 N -4.02 3.43 -3.83 2.12 1.85 -1.22 -4.99 116.66 110.00 1l8y n ARG 71 Ca -0.38 -2.72 -0.20 0.00 -1.00 0.00 0.00 57.85 53.55 1l8y n ARG 71 Cb 0.85 -1.77 0.00 0.00 -1.05 0.00 0.00 32.46 30.50 1l8y n ARG 71 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1l8y n ALA 72 N 0.62 -1.68 -0.13 2.89 0.00 -0.89 -4.80 120.51 116.52 1l8y n ALA 72 Ca 0.22 -0.26 -0.05 0.00 0.00 0.00 0.00 53.44 53.36 1l8y n ALA 72 Cb 0.81 -1.03 0.04 0.00 0.00 0.00 0.00 19.45 19.26 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 0.53 0.28 -0.96 0.00 0.11 -1.94 -1.42 132.00 128.60 1l8y h PRO 73 Ca -0.31 -0.02 -0.31 0.00 0.11 0.00 0.00 66.00 65.47 1l8y h PRO 73 Cb 0.61 -0.06 -0.19 0.00 0.11 0.00 0.00 31.00 31.47 1l8y h PRO 73 CO 0.23 0.18 0.39 -0.35 -0.21 0.00 0.00 178.00 178.25 1l8y n PRO 74 N -5.03 2.15 -2.91 1.05 -0.04 -1.26 -4.35 135.00 124.60 1l8y n PRO 74 Ca 0.03 -2.12 -0.15 0.00 -0.04 0.00 0.00 63.50 61.22 1l8y n PRO 74 Cb 0.17 -1.86 -0.00 0.00 -0.04 0.00 0.00 33.50 31.77 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 -0.50 2.89 -3.22 0.55 0.00 -0.53 -4.43 120.51 115.28 1l8y n ALA 75 Ca 0.39 -3.37 -0.23 0.00 0.00 0.00 0.00 53.44 50.22 1l8y n ALA 75 Cb 1.27 -0.91 -0.07 0.00 0.00 0.00 0.00 19.45 19.74 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 0.07 2.23 -2.00 0.00 0.00 -1.26 -4.87 120.51 114.68 1l8y n ALA 76 Ca 0.19 -3.12 -0.05 0.00 0.00 0.00 0.00 53.44 50.45 1l8y n ALA 76 Cb 0.72 -0.84 -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 0.25 0.00 0.00 0.00 177.50 177.75 1l8y n THR 77 N 1.93 -0.21 -2.43 0.00 -2.24 -1.26 -4.91 114.28 105.15 1l8y n THR 77 Ca 0.23 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.98 1l8y n THR 77 Cb 0.52 -1.07 0.03 0.00 -2.10 0.00 0.00 70.33 67.71 1l8y n THR 77 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1l8y n ASN 78 N 1.06 -0.57 -0.03 3.42 2.85 -1.26 -4.80 115.26 115.93 1l8y n ASN 78 Ca -0.06 -2.09 -0.06 0.00 -0.11 0.00 0.00 54.58 52.27 1l8y n ASN 78 Cb 0.51 0.26 -0.02 0.00 1.24 0.00 0.00 39.78 41.77 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 -0.60 1.22 -0.05 1.20 7.64 -1.26 -4.79 113.62 116.97 1l8y n SER 79 Ca -0.15 0.05 -0.06 0.00 1.01 0.00 0.00 58.87 59.72 1l8y n SER 79 Cb 0.84 -0.15 -0.08 0.00 -1.01 0.00 0.00 64.21 63.81 1l8y n SER 79 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1l8y n SER 80 N -3.11 2.48 -4.61 6.43 3.41 -1.26 -4.93 113.62 112.03 1l8y n SER 80 Ca -0.11 -0.01 -0.43 0.00 -0.26 0.00 0.00 58.87 58.06 1l8y n SER 80 Cb 0.59 0.60 -0.02 0.00 -0.26 0.00 0.00 64.21 65.12 1l8y n SER 80 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1l8y s LYS 81 N -2.26 3.63 -0.34 4.33 3.01 -1.26 -4.88 119.74 121.97 1l8y s LYS 81 Ca -0.07 0.98 0.08 0.00 -1.01 0.00 0.00 55.97 55.94 1l8y s LYS 81 Cb 0.03 -4.00 0.45 0.00 -1.01 0.00 0.00 37.83 33.30 1l8y s LYS 81 CO 0.41 -1.49 1.15 1.17 0.51 0.00 0.00 175.35 177.10 1l8y n LYS 82 N 7.95 3.32 -3.17 1.68 3.00 -1.26 -4.67 118.16 125.00 1l8y n LYS 82 Ca 0.16 -4.21 -0.39 0.00 -0.00 0.00 0.00 58.31 53.87 1l8y n LYS 82 Cb 0.48 -2.18 -0.05 0.00 0.00 0.00 0.00 35.03 33.28 1l8y n LYS 82 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1l8y s LEU 83 N -3.57 4.28 0.00 3.14 2.34 -1.26 -5.24 118.68 118.37 1l8y s LEU 83 Ca 0.47 0.99 0.00 0.00 0.06 0.00 0.00 54.13 55.65 1l8y s LEU 83 Cb 0.40 -2.90 0.00 0.00 -0.56 0.00 0.00 46.19 43.14 1l8y s LEU 83 CO -0.05 -0.08 0.21 -1.84 -1.06 0.00 0.00 176.35 173.54