#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 4.00 -2.10 1.61 4.81 -0.26 -4.72 118.16 121.49 1l8y n LYS 2 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 1l8y n LYS 2 Cb 0.00 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.08 1l8y n LYS 2 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 1l8y n LEU 3 N 0.00 0.97 0.00 3.14 -0.00 -1.26 -4.78 117.00 115.07 1l8y n LEU 3 Ca 0.00 -2.50 0.00 0.00 -0.00 0.00 0.00 56.01 53.51 1l8y n LEU 3 Cb 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 43.42 43.63 1l8y n LEU 3 CO 0.00 0.86 0.00 -0.81 -0.00 0.00 0.00 177.39 177.44 1l8y n PRO 4 N -0.12 0.00 -1.34 1.47 -0.04 -1.26 -5.04 135.00 128.68 1l8y n PRO 4 Ca 0.03 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.58 1l8y n PRO 4 Cb 0.96 -0.02 -0.05 0.00 -0.04 0.00 0.00 33.50 34.35 1l8y n PRO 4 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1l8y n GLU 5 N 0.00 -2.88 0.15 0.54 2.13 0.88 -5.05 120.64 116.41 1l8y n GLU 5 Ca 0.00 2.32 0.00 0.00 0.66 0.00 0.00 57.16 60.14 1l8y n GLU 5 Cb 0.00 -3.27 0.00 0.00 0.27 0.00 0.00 31.44 28.44 1l8y n GLU 5 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1l8y n SER 6 N -3.59 -2.74 -3.50 4.31 2.88 -1.26 -4.99 113.62 104.73 1l8y n SER 6 Ca -0.05 0.75 -0.25 0.00 -1.33 0.00 0.00 58.87 57.98 1l8y n SER 6 Cb 0.50 2.71 0.23 0.00 -0.75 0.00 0.00 64.21 66.90 1l8y n SER 6 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1l8y n PRO 7 N -3.26 -3.63 -1.53 -1.46 -0.02 -1.26 -5.00 135.00 118.84 1l8y n PRO 7 Ca 0.00 -1.07 -0.05 0.00 -2.02 0.00 0.00 63.50 60.36 1l8y n PRO 7 Cb 0.00 -1.76 -0.01 0.00 -0.02 0.00 0.00 33.50 31.71 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 -4.09 0.40 0.00 -0.52 4.76 -1.13 -4.98 118.16 112.61 1l8y n LYS 8 Ca 0.09 -1.22 0.00 0.00 -2.87 0.00 0.00 58.31 54.31 1l8y n LYS 8 Cb 0.50 0.37 0.00 0.00 -1.84 0.00 0.00 35.03 34.06 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 -0.37 0.00 0.00 1.97 5.12 0.28 -3.59 116.66 120.07 1l8y n ARG 9 Ca -0.21 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.71 1l8y n ARG 9 Cb 0.79 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.09 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 5.98 -0.01 0.19 7.54 0.00 -0.47 -2.64 120.51 131.10 1l8y n ALA 10 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 1l8y n ALA 10 Cb 0.00 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.21 1l8y n ALA 10 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1l8y h GLU 11 N 0.00 0.00 0.06 0.00 4.81 -1.61 -2.76 114.58 115.09 1l8y h GLU 11 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1l8y h GLU 11 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1l8y h GLU 11 CO 0.00 0.00 -0.03 1.49 -0.73 0.00 0.00 179.01 179.74 1l8y h GLU 12 N 0.00 -0.08 -0.26 1.92 4.22 0.62 -2.36 114.58 118.64 1l8y h GLU 12 Ca 0.12 0.01 0.06 0.00 0.08 0.00 0.00 59.36 59.63 1l8y h GLU 12 Cb 0.96 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.16 1l8y h GLU 12 CO -0.00 -0.05 -0.26 0.97 -2.18 0.00 0.00 179.01 177.48 1l8y h ILE 13 N -0.68 0.35 0.33 2.32 6.09 -0.63 -2.73 117.51 122.56 1l8y h ILE 13 Ca -0.01 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.47 1l8y h ILE 13 Cb 0.06 0.35 0.00 0.00 0.47 0.00 0.00 36.82 37.71 1l8y h ILE 13 CO 0.01 0.00 -0.16 -0.25 -3.07 0.00 0.00 178.15 174.69 1l8y h TRP 14 N -0.26 -0.41 -0.18 2.19 7.01 -1.68 -2.19 115.95 120.43 1l8y h TRP 14 Ca 0.14 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.15 1l8y h TRP 14 Cb 0.48 0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.65 1l8y h TRP 14 CO -0.42 -0.10 -0.19 0.37 -2.79 0.00 0.00 178.44 175.31 1l8y h GLN 15 N -1.00 -0.09 -0.48 2.65 4.15 -1.44 0.63 115.11 119.53 1l8y h GLN 15 Ca -0.04 0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.52 1l8y h GLN 15 Cb 0.49 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.18 1l8y h GLN 15 CO 0.07 -0.06 0.40 1.96 -1.93 0.00 0.00 178.83 179.27 1l8y h GLN 16 N -0.10 0.00 -0.18 1.69 1.08 -1.64 1.01 115.11 116.97 1l8y h GLN 16 Ca 0.03 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.13 1l8y h GLN 16 Cb 0.18 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1l8y h GLN 16 CO -0.23 0.00 -0.28 0.77 -0.95 0.00 0.00 178.83 178.14 1l8y h SER 17 N 0.00 0.55 0.00 1.46 0.02 0.68 -3.35 113.55 112.91 1l8y h SER 17 Ca 0.23 -0.53 -0.43 0.00 -0.84 0.00 0.00 61.79 60.22 1l8y h SER 17 Cb 1.02 -0.16 -0.07 0.00 0.14 0.00 0.00 62.40 63.34 1l8y h SER 17 CO -0.00 0.97 -2.47 1.33 -1.14 0.00 0.00 176.83 175.53 1l8y n VAL 18 N -4.38 1.45 -0.41 2.27 0.24 0.14 -4.51 118.33 113.13 1l8y n VAL 18 Ca -0.06 -0.41 0.37 0.00 -2.04 0.00 0.00 64.34 62.20 1l8y n VAL 18 Cb 0.46 -1.76 0.64 0.00 -1.47 0.00 0.00 33.84 31.71 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 -3.98 -0.32 -0.12 1.34 3.06 0.34 0.10 119.36 119.78 1l8y n ILE 19 Ca -0.50 1.89 -0.09 0.00 -2.50 0.00 0.00 62.75 61.54 1l8y n ILE 19 Cb 0.89 -3.08 -0.01 0.00 0.54 0.00 0.00 39.64 37.98 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 0.57 2.00 4.50 0.00 -1.71 0.95 103.07 109.38 1l8y h GLY 20 Ca 0.86 -0.31 -0.17 0.00 0.00 0.00 0.00 47.33 47.71 1l8y h GLY 20 CO -0.59 0.29 -0.82 -1.80 0.00 0.00 0.00 176.54 173.62 1l8y h ASP 21 N 0.43 0.00 -0.11 0.19 3.58 0.44 -0.62 116.42 120.33 1l8y h ASP 21 Ca 0.12 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.51 1l8y h ASP 21 Cb 0.18 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.23 1l8y h ASP 21 CO -0.01 0.82 -0.16 1.88 -2.88 0.00 0.00 179.24 178.89 1l8y h TYR 22 N 0.00 0.38 0.00 0.28 -1.99 0.73 -1.54 116.97 114.83 1l8y h TYR 22 Ca -0.01 -0.13 -0.10 0.00 2.00 0.00 0.00 58.73 60.50 1l8y h TYR 22 Cb 1.46 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 40.10 1l8y h TYR 22 CO 0.00 0.76 -0.46 -0.07 -0.00 0.00 0.00 178.16 178.40 1l8y h LEU 23 N -0.11 0.00 0.11 3.88 3.38 0.89 -3.24 115.31 120.22 1l8y h LEU 23 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1l8y h LEU 23 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1l8y h LEU 23 CO 0.04 0.46 -0.05 0.00 0.09 0.00 0.00 178.44 178.97 1l8y h ALA 24 N 1.54 -0.14 -1.32 1.53 0.00 -1.02 0.73 119.26 120.58 1l8y h ALA 24 Ca -0.00 -0.19 0.41 0.00 0.00 0.00 0.00 54.91 55.12 1l8y h ALA 24 Cb 0.95 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.69 1l8y h ALA 24 CO 0.06 -0.38 0.88 0.07 0.00 0.00 0.00 179.25 179.87 1l8y h ARG 25 N -0.54 0.12 0.00 0.00 0.11 -1.30 -0.99 114.38 111.79 1l8y h ARG 25 Ca -0.01 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1l8y h ARG 25 Cb 0.43 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.49 1l8y h ARG 25 CO 0.02 0.08 0.00 0.34 0.10 0.00 0.00 179.97 180.51 1l8y n PHE 26 N -4.55 0.00 -3.96 4.08 7.35 -1.22 -5.01 117.46 114.16 1l8y n PHE 26 Ca 0.35 -0.31 -0.26 0.00 -0.76 0.00 0.00 57.45 56.46 1l8y n PHE 26 Cb 1.37 -0.03 -0.02 0.00 0.35 0.00 0.00 39.48 41.15 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 -0.31 -3.41 0.00 -4.13 0.00 0.23 -4.21 118.16 106.31 1l8y n LYS 27 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 58.31 58.73 1l8y n LYS 27 Cb 0.34 -4.62 0.00 0.00 0.00 0.00 0.00 35.03 30.74 1l8y n LYS 27 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1l8y n ASN 28 N -2.96 0.00 0.00 3.14 2.04 0.50 -5.00 115.26 112.97 1l8y n ASN 28 Ca -0.28 0.00 0.10 0.00 -0.44 0.00 0.00 54.58 53.96 1l8y n ASN 28 Cb 0.67 0.00 0.50 0.00 -2.53 0.00 0.00 39.78 38.42 1l8y n ASN 28 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 1l8y n ASP 29 N 0.00 0.00 -0.00 0.53 2.03 -1.23 -4.32 116.55 113.56 1l8y n ASP 29 Ca 0.00 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1l8y n ASP 29 Cb 0.00 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 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 -1.29 -0.00 -0.24 -0.67 0.00 -1.26 0.25 116.66 113.44 1l8y n ARG 30 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.95 1l8y n ARG 30 Cb 0.16 -0.01 0.07 0.00 0.00 0.00 0.00 32.46 32.69 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 0.27 0.00 5.15 2.07 -1.98 0.72 116.25 122.48 1l8y h VAL 31 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 1l8y h VAL 31 Cb 0.00 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1l8y h VAL 31 CO -0.00 0.00 -0.78 0.11 0.02 0.00 0.00 177.57 176.91 1l8y h LYS 32 N -0.02 0.00 0.23 1.57 1.57 0.29 -3.33 116.57 116.88 1l8y h LYS 32 Ca 0.33 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.10 1l8y h LYS 32 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1l8y h LYS 32 CO -0.73 0.17 -0.11 0.00 -0.57 0.00 0.00 179.45 178.22 1l8y h ALA 33 N 1.75 -0.30 -0.94 3.86 0.00 0.16 0.16 119.26 123.95 1l8y h ALA 33 Ca -0.04 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.80 1l8y h ALA 33 Cb 1.22 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.05 1l8y h ALA 33 CO 0.02 -0.44 0.60 1.25 0.00 0.00 0.00 179.25 180.68 1l8y h LEU 34 N -0.77 0.78 0.00 0.00 6.46 0.14 -0.46 115.31 121.47 1l8y h LEU 34 Ca -0.03 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1l8y h LEU 34 Cb 0.50 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.32 1l8y h LEU 34 CO 0.05 0.40 -0.02 0.11 -0.62 0.00 0.00 178.44 178.36 1l8y h LYS 35 N 0.83 0.00 -0.58 1.25 1.79 -1.66 0.96 116.57 119.17 1l8y h LYS 35 Ca 0.47 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 59.10 1l8y h LYS 35 Cb 0.61 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.23 1l8y h LYS 35 CO -0.23 0.86 0.57 0.00 -1.08 0.00 0.00 179.45 179.57 1l8y h ALA 36 N -0.15 2.35 0.02 3.86 0.00 -0.48 0.59 119.26 125.46 1l8y h ALA 36 Ca -0.01 -0.02 -0.38 0.00 0.00 0.00 0.00 54.91 54.50 1l8y h ALA 36 Cb 0.86 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 1l8y h ALA 36 CO -0.00 -0.87 -2.13 -0.12 0.00 0.00 0.00 179.25 176.12 1l8y n MET 37 N -3.77 0.62 0.05 0.00 0.00 -0.20 -3.91 117.12 109.91 1l8y n MET 37 Ca 0.11 0.32 -0.02 0.00 -0.00 0.00 0.00 57.70 58.12 1l8y n MET 37 Cb 0.79 -1.59 -0.01 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 -0.67 -0.13 0.05 2.12 4.81 0.20 -1.88 114.58 119.08 1l8y h GLU 38 Ca -0.56 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 58.70 1l8y h GLU 38 Cb 1.64 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 31.00 1l8y h GLU 38 CO -0.24 -0.09 -0.50 0.52 -0.73 0.00 0.00 179.01 177.97 1l8y h MET 39 N -0.15 -0.64 -0.54 1.92 2.86 -1.12 0.62 114.93 117.89 1l8y h MET 39 Ca -0.01 0.04 0.16 0.00 -2.06 0.00 0.00 59.70 57.83 1l8y h MET 39 Cb 0.10 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1l8y h MET 39 CO 0.02 -0.43 0.69 1.15 1.06 0.00 0.00 176.91 179.41 1l8y h THR 40 N -0.66 0.20 0.06 2.22 2.02 -1.67 0.80 112.91 115.88 1l8y h THR 40 Ca 0.00 0.00 -0.23 0.00 0.77 0.00 0.00 66.41 66.95 1l8y h THR 40 Cb 0.69 0.43 0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1l8y h THR 40 CO -0.31 0.00 -0.95 -0.25 0.37 0.00 0.00 175.52 174.39 1l8y h TRP 41 N 0.00 0.83 0.00 3.16 2.91 -0.02 -3.21 115.95 119.62 1l8y h TRP 41 Ca 0.25 -0.50 -0.19 0.00 1.13 0.00 0.00 58.89 59.59 1l8y h TRP 41 Cb 1.64 -0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 30.18 1l8y h TRP 41 CO 0.00 1.34 -1.10 -0.91 -1.03 0.00 0.00 178.44 176.74 1l8y h ASN 42 N 0.09 0.00 0.35 2.65 2.35 0.13 -3.21 115.58 117.94 1l8y h ASN 42 Ca -0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 1l8y h ASN 42 Cb 1.65 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.02 1l8y h ASN 42 CO 0.18 0.79 0.00 0.59 -1.65 0.00 0.00 177.43 177.34 1l8y n ASN 43 N -3.16 0.00 -0.10 5.81 3.02 0.24 -2.06 115.26 119.01 1l8y n ASN 43 Ca -0.05 0.17 0.07 0.00 -0.03 0.00 0.00 54.58 54.75 1l8y n ASN 43 Cb 0.89 -0.34 -0.06 0.00 -0.61 0.00 0.00 39.78 39.66 1l8y n ASN 43 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1l8y n MET 44 N -1.34 1.92 0.00 3.52 1.56 -1.21 -5.03 117.12 116.54 1l8y n MET 44 Ca 0.06 -0.23 0.00 0.00 -0.27 0.00 0.00 57.70 57.27 1l8y n MET 44 Cb 0.14 -1.23 0.00 0.00 2.15 0.00 0.00 33.22 34.28 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 -1.01 0.00 0.11 2.12 1.02 -0.87 -3.22 120.64 118.79 1l8y n GLU 45 Ca 0.04 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.27 1l8y n GLU 45 Cb 0.26 0.00 0.43 0.00 -0.02 0.00 0.00 31.44 32.11 1l8y n GLU 45 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1l8y n LYS 46 N 3.77 0.11 0.00 3.49 4.81 -1.26 -3.29 118.16 125.79 1l8y n LYS 46 Ca 0.00 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 1l8y n LYS 46 Cb 0.00 -1.81 0.00 0.00 0.02 0.00 0.00 35.03 33.24 1l8y n LYS 46 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1l8y n LYS 47 N -2.04 0.00 0.00 1.64 0.00 -1.20 -2.77 118.16 113.79 1l8y n LYS 47 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 58.31 58.74 1l8y n LYS 47 Cb 0.08 -1.34 0.00 0.00 0.00 0.00 0.00 35.03 33.77 1l8y n LYS 47 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1l8y n GLU 48 N -1.77 0.00 0.00 1.64 -0.58 -1.23 -2.24 120.64 116.45 1l8y n GLU 48 Ca 0.00 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 1l8y n GLU 48 Cb 0.00 -1.25 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 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 -1.38 0.00 0.23 3.49 5.02 -1.21 -0.17 118.16 124.14 1l8y n LYS 49 Ca 0.00 0.59 -0.18 0.00 -2.02 0.00 0.00 58.31 56.71 1l8y n LYS 49 Cb 0.00 -0.95 -0.10 0.00 -0.02 0.00 0.00 35.03 33.97 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 -2.03 -0.35 7.12 -1.68 -2.52 115.31 114.39 1l8y h LEU 50 Ca 0.00 0.13 0.10 0.00 0.13 0.00 0.00 57.88 58.24 1l8y h LEU 50 Cb 0.00 0.50 -0.01 0.00 -0.53 0.00 0.00 40.66 40.62 1l8y h LEU 50 CO 0.00 -0.63 0.25 0.24 -0.13 0.00 0.00 178.44 178.17 1l8y h MET 51 N -0.92 0.00 -0.21 1.25 2.86 -1.17 0.26 114.93 117.00 1l8y h MET 51 Ca -0.04 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 1l8y h MET 51 Cb 0.83 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 1l8y h MET 51 CO -0.14 0.00 -0.21 -1.49 1.06 0.00 0.00 176.91 176.13 1l8y h TRP 52 N 0.00 0.41 -0.01 -0.22 4.06 -0.15 -2.79 115.95 117.24 1l8y h TRP 52 Ca 0.16 -0.07 0.01 0.00 2.06 0.00 0.00 58.89 61.05 1l8y h TRP 52 Cb 0.65 -0.11 -0.03 0.00 -1.00 0.00 0.00 29.16 28.68 1l8y h TRP 52 CO 0.00 0.56 -0.30 0.82 -3.56 0.00 0.00 178.44 175.96 1l8y h ILE 53 N 0.34 0.00 -0.78 1.49 2.04 -0.16 -0.95 117.51 119.49 1l8y h ILE 53 Ca 0.06 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.14 1l8y h ILE 53 Cb 0.56 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1l8y h ILE 53 CO 0.04 0.00 0.56 0.50 0.00 0.00 0.00 178.15 179.24 1l8y h LYS 54 N -0.36 0.03 0.29 2.37 1.63 -1.51 2.22 116.57 121.23 1l8y h LYS 54 Ca 0.01 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1l8y h LYS 54 Cb 0.39 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.02 1l8y h LYS 54 CO -0.20 0.02 -0.18 -0.22 -3.45 0.00 0.00 179.45 175.41 1l8y h LYS 55 N 0.03 -0.42 0.00 1.90 3.11 -0.91 2.20 116.57 122.47 1l8y h LYS 55 Ca 0.37 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.24 1l8y h LYS 55 Cb 1.44 0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.77 1l8y h LYS 55 CO -0.02 -0.28 0.00 0.00 -2.81 0.00 0.00 179.45 176.34 1l8y n ALA 56 N -2.33 1.99 0.09 5.00 0.00 -0.86 -1.84 120.51 122.55 1l8y n ALA 56 Ca -0.05 0.01 -0.08 0.00 0.00 0.00 0.00 53.44 53.31 1l8y n ALA 56 Cb 0.18 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.18 1l8y n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l8y h ALA 57 N 2.48 0.46 0.00 0.00 0.00 0.41 1.19 119.26 123.80 1l8y h ALA 57 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1l8y h ALA 57 Cb 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1l8y h ALA 57 CO 0.00 1.00 0.00 -1.91 0.00 0.00 0.00 179.25 178.34 1l8y n GLU 58 N -3.58 0.25 -0.09 0.00 2.13 0.74 -3.58 120.64 116.52 1l8y n GLU 58 Ca -0.03 0.28 -0.23 0.00 0.66 0.00 0.00 57.16 57.83 1l8y n GLU 58 Cb 0.85 -1.83 -0.12 0.00 0.27 0.00 0.00 31.44 30.61 1l8y n GLU 58 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1l8y n ASP 59 N -2.28 1.94 -0.26 4.31 2.03 -0.70 -4.35 116.55 117.23 1l8y n ASP 59 Ca 0.05 0.32 0.33 0.00 0.52 0.00 0.00 54.79 56.00 1l8y n ASP 59 Cb 0.38 -0.87 0.66 0.00 -0.72 0.00 0.00 41.12 40.56 1l8y n ASP 59 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 1l8y h GLN 60 N -0.71 0.00 -1.07 -0.67 -0.00 0.14 -1.69 115.11 111.10 1l8y h GLN 60 Ca -0.46 0.00 0.40 0.00 -0.00 0.00 0.00 58.65 58.59 1l8y h GLN 60 Cb 1.56 0.00 -0.16 0.00 -0.00 0.00 0.00 27.48 28.88 1l8y h GLN 60 CO -0.19 0.00 0.61 1.57 -0.00 0.00 0.00 178.83 180.82 1l8y h LYS 61 N 0.00 0.09 0.00 0.06 2.10 -1.76 1.92 116.57 118.97 1l8y h LYS 61 Ca 0.52 -0.01 -0.13 0.00 -2.00 0.00 0.00 60.65 59.03 1l8y h LYS 61 Cb 2.51 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 33.80 1l8y h LYS 61 CO -0.01 0.06 -0.64 -0.09 -2.00 0.00 0.00 179.45 176.77 1l8y h ARG 62 N 0.09 0.00 0.00 0.07 9.65 -1.63 -2.43 114.38 120.13 1l8y h ARG 62 Ca 0.82 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.70 1l8y h ARG 62 Cb 2.20 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.78 1l8y h ARG 62 CO -0.66 0.64 -1.22 0.66 2.80 0.00 0.00 179.97 182.19 1l8y n TYR 63 N -3.42 0.00 0.97 2.20 4.01 0.38 -4.23 117.16 117.06 1l8y n TYR 63 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.84 1l8y n TYR 63 Cb 0.72 -0.12 -0.08 0.00 -0.31 0.00 0.00 39.34 39.55 1l8y n TYR 63 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1l8y n GLU 64 N -1.67 0.52 0.03 -0.72 4.71 0.56 -0.09 120.64 123.98 1l8y n GLU 64 Ca 0.02 -0.29 -0.12 0.00 -0.01 0.00 0.00 57.16 56.76 1l8y n GLU 64 Cb 0.38 -1.47 -0.14 0.00 -1.01 0.00 0.00 31.44 29.21 1l8y n GLU 64 CO 0.00 0.00 0.00 0.07 0.09 0.00 0.00 177.13 177.29 1l8y h ARG 65 N 0.71 0.11 0.41 3.49 0.11 -1.61 -3.27 114.38 114.33 1l8y h ARG 65 Ca 0.00 -0.19 -0.01 0.00 0.10 0.00 0.00 59.98 59.88 1l8y h ARG 65 Cb 0.56 0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.69 1l8y h ARG 65 CO 0.00 0.89 -0.38 0.93 0.10 0.00 0.00 179.97 181.51 1l8y h GLU 66 N 0.03 -0.77 0.89 0.08 3.07 -1.74 0.64 114.58 116.77 1l8y h GLU 66 Ca -0.21 0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.66 1l8y h GLU 66 Cb 1.96 0.18 0.01 0.00 -0.84 0.00 0.00 28.75 30.05 1l8y h GLU 66 CO 0.12 -0.52 -0.43 1.37 -1.40 0.00 0.00 179.01 178.16 1l8y h LEU 67 N -0.80 -1.01 -2.25 1.33 8.10 -1.78 -2.69 115.31 116.20 1l8y h LEU 67 Ca -0.03 0.03 0.04 0.00 0.11 0.00 0.00 57.88 58.03 1l8y h LEU 67 Cb 0.71 0.26 -0.01 0.00 -0.44 0.00 0.00 40.66 41.19 1l8y h LEU 67 CO -0.05 -0.70 0.14 -1.28 -4.11 0.00 0.00 178.44 172.44 1l8y h SER 68 N -1.23 0.00 0.05 0.17 0.87 -1.60 0.12 113.55 111.92 1l8y h SER 68 Ca -0.12 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1l8y h SER 68 Cb 0.92 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1l8y h SER 68 CO 0.20 0.00 -0.00 -0.33 -0.53 0.00 0.00 176.83 176.17 1l8y h GLU 69 N 0.00 0.00 0.01 2.24 4.39 0.66 -1.16 114.58 120.72 1l8y h GLU 69 Ca 0.06 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.48 1l8y h GLU 69 Cb 0.34 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.95 1l8y h GLU 69 CO -0.00 0.00 -1.61 1.98 -1.16 0.00 0.00 179.01 178.22 1l8y h MET 70 N 0.00 0.02 -1.06 2.33 4.05 -0.86 -3.36 114.93 116.05 1l8y h MET 70 Ca -0.00 -0.03 -0.67 0.00 -0.28 0.00 0.00 59.70 58.72 1l8y h MET 70 Cb 0.03 0.01 -0.31 0.00 -0.80 0.00 0.00 31.60 30.53 1l8y h MET 70 CO 0.00 0.61 0.65 -2.13 0.23 0.00 0.00 176.91 176.27 1l8y n ARG 71 N -3.12 2.83 -0.09 0.39 0.63 -0.46 -4.55 116.66 112.28 1l8y n ARG 71 Ca -0.15 -3.44 -0.23 0.00 -0.92 0.00 0.00 57.85 53.11 1l8y n ARG 71 Cb 1.04 -2.29 -0.12 0.00 0.45 0.00 0.00 32.46 31.54 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 -0.86 1.01 -0.28 5.13 0.00 -1.07 -4.05 120.51 120.39 1l8y n ALA 72 Ca 0.59 -0.76 0.11 0.00 0.00 0.00 0.00 53.44 53.38 1l8y n ALA 72 Cb 0.67 -0.34 0.26 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.60 0.24 -1.81 0.00 0.11 -1.88 0.11 132.00 128.18 1l8y h PRO 73 Ca -0.49 -0.01 -0.70 0.00 0.11 0.00 0.00 66.00 64.90 1l8y h PRO 73 Cb 1.65 -0.05 -0.26 0.00 0.11 0.00 0.00 31.00 32.45 1l8y h PRO 73 CO -0.18 0.16 0.92 -0.35 -0.21 0.00 0.00 178.00 178.34 1l8y n PRO 74 N -5.19 2.66 -3.00 1.05 -0.04 -1.26 -4.61 135.00 124.61 1l8y n PRO 74 Ca 0.19 -3.25 -0.19 0.00 -0.04 0.00 0.00 63.50 60.20 1l8y n PRO 74 Cb 0.61 -2.23 -0.02 0.00 -0.04 0.00 0.00 33.50 31.81 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 -0.38 3.10 -1.45 0.55 0.00 0.38 -4.61 120.51 118.09 1l8y n ALA 75 Ca 0.54 -3.75 0.07 0.00 0.00 0.00 0.00 53.44 50.31 1l8y n ALA 75 Cb 0.36 -0.85 0.14 0.00 0.00 0.00 0.00 19.45 19.10 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 0.04 2.75 0.00 0.00 0.00 -1.26 -4.66 120.51 117.38 1l8y n ALA 76 Ca 0.25 -2.70 0.00 0.00 0.00 0.00 0.00 53.44 50.99 1l8y n ALA 76 Cb 0.62 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 -1.05 0.00 0.10 0.00 -2.24 -1.26 -4.96 114.28 104.88 1l8y n THR 77 Ca 0.15 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.99 1l8y n THR 77 Cb 0.70 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 1l8y n THR 77 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1l8y h ASN 78 N 0.00 0.00 0.00 3.42 -1.07 -1.88 -3.18 115.58 112.87 1l8y h ASN 78 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 56.30 55.77 1l8y h ASN 78 Cb 0.00 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 36.27 1l8y h ASN 78 CO 0.00 0.29 2.68 -0.24 0.07 0.00 0.00 177.43 180.23 1l8y n SER 79 N -2.91 3.87 -3.82 6.14 2.88 -1.26 -4.31 113.62 114.20 1l8y n SER 79 Ca -0.02 -2.62 -0.29 0.00 -1.33 0.00 0.00 58.87 54.60 1l8y n SER 79 Cb 0.68 -1.26 0.03 0.00 -0.75 0.00 0.00 64.21 62.91 1l8y n SER 79 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1l8y n SER 80 N 6.10 -4.91 -4.93 -3.46 2.88 -1.26 -4.97 113.62 103.07 1l8y n SER 80 Ca 0.51 -0.72 -0.20 0.00 -1.33 0.00 0.00 58.87 57.14 1l8y n SER 80 Cb 0.32 -3.92 -0.02 0.00 -0.75 0.00 0.00 64.21 59.84 1l8y n SER 80 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1l8y s LYS 81 N -6.53 2.99 -0.18 -1.46 -0.14 -1.20 -5.10 119.74 108.12 1l8y s LYS 81 Ca 0.63 -1.09 -0.01 0.00 -1.36 0.00 0.00 55.97 54.13 1l8y s LYS 81 Cb -0.31 -2.69 0.05 0.00 -1.68 0.00 0.00 37.83 33.20 1l8y s LYS 81 CO 0.78 0.12 -0.01 0.15 -0.76 0.00 0.00 175.35 175.63 1l8y s LYS 82 N -4.07 1.07 0.19 1.68 -0.14 -1.26 -4.85 119.74 112.36 1l8y s LYS 82 Ca 0.42 -0.53 -0.31 0.00 -1.36 0.00 0.00 55.97 54.19 1l8y s LYS 82 Cb -0.08 -2.09 -0.09 0.00 -1.68 0.00 0.00 37.83 33.88 1l8y s LYS 82 CO 0.29 -0.55 1.45 -0.51 -0.76 0.00 0.00 175.35 175.28 1l8y s LEU 83 N 1.71 4.38 0.00 3.17 1.43 -1.26 -5.15 118.68 122.95 1l8y s LEU 83 Ca -0.01 2.55 0.21 0.00 -1.03 0.00 0.00 54.13 55.85 1l8y s LEU 83 Cb -0.17 -3.60 0.17 0.00 0.03 0.00 0.00 46.19 42.62 1l8y s LEU 83 CO -0.07 -0.71 1.17 1.21 0.23 0.00 0.00 176.35 178.18