#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 -4.97 0.07 1.61 3.00 -1.26 -5.07 118.16 111.54 1l8y n LYS 2 Ca 0.00 3.57 0.00 0.00 -0.00 0.00 0.00 58.31 61.88 1l8y n LYS 2 Cb 0.00 -3.83 0.00 0.00 0.00 0.00 0.00 35.03 31.20 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 1.37 -1.22 0.00 3.14 4.77 -1.26 -5.04 117.00 118.76 1l8y n LEU 3 Ca 0.00 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1l8y n LEU 3 Cb 0.00 1.42 0.00 0.00 -2.33 0.00 0.00 43.42 42.51 1l8y n LEU 3 CO 0.00 -0.16 0.43 -0.81 -1.33 0.00 0.00 177.39 175.51 1l8y n PRO 4 N -2.67 0.00 -0.60 3.23 -0.04 -1.26 -5.02 135.00 128.63 1l8y n PRO 4 Ca 0.00 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 1l8y n PRO 4 Cb 0.00 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 1l8y n PRO 4 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1l8y n GLU 5 N -1.58 0.00 0.00 0.54 1.02 -1.26 -5.14 120.64 114.22 1l8y n GLU 5 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1l8y n GLU 5 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1l8y n GLU 5 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1l8y n SER 6 N -0.38 0.00 -2.13 1.62 2.88 -1.26 -4.44 113.62 109.92 1l8y n SER 6 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1l8y n SER 6 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 2.70 -1.14 -1.46 -0.02 -1.26 -5.03 135.00 128.78 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 -0.04 0.00 -0.02 0.00 0.00 33.50 33.44 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 0.00 0.16 0.00 -0.52 4.76 -1.21 -4.96 118.16 116.39 1l8y n LYS 8 Ca 0.00 -0.87 0.00 0.00 -2.87 0.00 0.00 58.31 54.57 1l8y n LYS 8 Cb 0.00 0.48 0.00 0.00 -1.84 0.00 0.00 35.03 33.67 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 -0.19 0.00 0.00 1.97 5.12 1.06 -3.22 116.66 121.40 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 0.66 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.96 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 5.78 -0.03 0.13 7.54 0.00 -0.30 -2.66 120.51 130.97 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 0.59 0.00 0.00 0.00 0.00 19.45 20.04 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 5.08 -1.69 -1.62 114.58 116.35 1l8y h GLU 11 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1l8y h GLU 11 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1l8y h GLU 11 CO 0.00 0.00 -0.00 1.49 -1.00 0.00 0.00 179.01 179.50 1l8y h GLU 12 N 0.00 0.00 -0.36 2.33 4.57 -1.32 -2.55 114.58 117.25 1l8y h GLU 12 Ca 0.18 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.43 1l8y h GLU 12 Cb 1.50 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 30.01 1l8y h GLU 12 CO -0.00 0.00 -0.15 0.97 -1.18 0.00 0.00 179.01 178.65 1l8y h ILE 13 N -0.05 0.53 0.02 2.32 6.09 -0.61 -2.79 117.51 123.01 1l8y h ILE 13 Ca 0.00 0.00 -0.14 0.00 -1.37 0.00 0.00 64.86 63.35 1l8y h ILE 13 Cb 0.00 0.53 0.01 0.00 0.47 0.00 0.00 36.82 37.83 1l8y h ILE 13 CO 0.00 0.00 -0.55 -0.25 -3.07 0.00 0.00 178.15 174.28 1l8y h TRP 14 N -0.08 0.51 0.11 2.19 7.01 -1.50 -2.61 115.95 121.59 1l8y h TRP 14 Ca 0.18 -0.30 0.00 0.00 2.11 0.00 0.00 58.89 60.89 1l8y h TRP 14 Cb 0.35 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.34 1l8y h TRP 14 CO -0.37 1.13 -0.28 0.37 -2.79 0.00 0.00 178.44 176.50 1l8y h GLN 15 N -0.26 -0.42 -0.90 2.65 4.15 -1.40 0.21 115.11 119.14 1l8y h GLN 15 Ca -0.08 0.03 0.21 0.00 0.77 0.00 0.00 58.65 59.58 1l8y h GLN 15 Cb 1.30 0.10 -0.07 0.00 0.21 0.00 0.00 27.48 29.02 1l8y h GLN 15 CO 0.11 -0.28 0.60 1.96 -1.93 0.00 0.00 178.83 179.29 1l8y h GLN 16 N -0.44 0.38 -0.64 1.69 1.08 -1.66 1.38 115.11 116.91 1l8y h GLN 16 Ca -0.01 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 1l8y h GLN 16 Cb 0.42 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.74 1l8y h GLN 16 CO -0.13 0.25 0.31 0.77 -0.95 0.00 0.00 178.83 179.08 1l8y h SER 17 N 0.39 0.83 0.00 1.46 0.02 -0.65 -3.36 113.55 112.24 1l8y h SER 17 Ca 0.47 -0.13 -0.24 0.00 -0.84 0.00 0.00 61.79 61.05 1l8y h SER 17 Cb 1.20 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 63.49 1l8y h SER 17 CO -0.17 0.73 -1.80 1.33 -1.14 0.00 0.00 176.83 175.78 1l8y n VAL 18 N -4.49 0.81 -0.16 2.27 0.24 0.57 -4.68 118.33 112.90 1l8y n VAL 18 Ca 0.04 -0.20 0.15 0.00 -2.04 0.00 0.00 64.34 62.30 1l8y n VAL 18 Cb 0.13 -1.70 0.28 0.00 -1.47 0.00 0.00 33.84 31.07 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 -3.66 -0.21 -0.01 1.34 3.06 0.46 0.19 119.36 120.53 1l8y n ILE 19 Ca -0.29 1.00 -0.11 0.00 -2.50 0.00 0.00 62.75 60.86 1l8y n ILE 19 Cb 0.70 -1.62 -0.05 0.00 0.54 0.00 0.00 39.64 39.21 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 0.16 2.00 4.50 0.00 -1.71 1.40 103.07 109.41 1l8y h GLY 20 Ca 0.41 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.59 1l8y h GLY 20 CO -0.38 0.06 -0.42 -1.80 0.00 0.00 0.00 176.54 174.00 1l8y h ASP 21 N 0.12 0.00 0.75 0.19 1.82 0.18 0.21 116.42 119.69 1l8y h ASP 21 Ca 0.04 0.00 -0.19 0.00 -0.39 0.00 0.00 57.03 56.49 1l8y h ASP 21 Cb 0.02 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.01 1l8y h ASP 21 CO -0.01 0.42 -0.88 1.88 -1.61 0.00 0.00 179.24 179.04 1l8y h TYR 22 N 0.00 0.12 0.00 0.28 -1.99 0.16 -2.43 116.97 113.11 1l8y h TYR 22 Ca -0.00 -0.07 -0.27 0.00 2.00 0.00 0.00 58.73 60.39 1l8y h TYR 22 Cb 1.21 -0.01 -0.05 0.00 2.00 0.00 0.00 36.73 39.88 1l8y h TYR 22 CO 0.00 0.91 -1.63 -0.07 -0.00 0.00 0.00 178.16 177.37 1l8y h LEU 23 N 0.04 0.00 -1.21 3.88 3.38 0.20 -3.34 115.31 118.25 1l8y h LEU 23 Ca -0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1l8y h LEU 23 Cb 1.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 1l8y h LEU 23 CO 0.12 0.92 -0.30 0.00 0.09 0.00 0.00 178.44 179.27 1l8y h ALA 24 N 1.08 1.11 0.39 1.53 0.00 -0.59 -1.90 119.26 120.88 1l8y h ALA 24 Ca -0.25 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1l8y h ALA 24 Cb 1.92 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1l8y h ALA 24 CO 0.07 0.37 -0.19 0.07 0.00 0.00 0.00 179.25 179.58 1l8y h ARG 25 N 0.00 -0.50 0.00 0.00 0.11 -1.55 -3.41 114.38 109.03 1l8y h ARG 25 Ca -0.00 0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.11 1l8y h ARG 25 Cb 0.72 0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.92 1l8y h ARG 25 CO 0.04 -0.33 0.00 0.34 0.10 0.00 0.00 179.97 180.11 1l8y n PHE 26 N -5.31 0.00 0.00 4.08 -0.00 -1.24 -5.03 117.46 109.95 1l8y n PHE 26 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.34 1l8y n PHE 26 Cb 0.22 -0.08 0.00 0.00 -0.00 0.00 0.00 39.48 39.62 1l8y n PHE 26 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.76 177.12 1l8y n LYS 27 N -1.86 0.00 0.00 -4.13 0.00 -1.13 -4.93 118.16 106.11 1l8y n LYS 27 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1l8y n LYS 27 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 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 0.00 0.00 -0.00 -5.58 5.15 -0.73 -4.98 115.26 109.11 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 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 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 0.00 0.00 1.20 2.03 -1.24 -4.41 116.55 114.13 1l8y n ASP 29 Ca 0.00 -0.49 0.00 0.00 0.52 0.00 0.00 54.79 54.82 1l8y n ASP 29 Cb 0.00 -0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -0.49 0.00 0.04 -0.67 3.00 -1.26 0.18 116.66 117.46 1l8y n ARG 30 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.70 1l8y n ARG 30 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.37 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 0.02 0.00 5.15 2.07 -1.97 0.40 116.25 121.92 1l8y h VAL 31 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 1l8y h VAL 31 Cb 0.00 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.79 1l8y h VAL 31 CO 0.00 0.00 -0.22 0.11 0.02 0.00 0.00 177.57 177.48 1l8y h LYS 32 N -0.65 0.00 0.00 1.57 1.79 0.15 -2.99 116.57 116.45 1l8y h LYS 32 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1l8y h LYS 32 Cb 0.71 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1l8y h LYS 32 CO -0.37 0.22 0.00 0.00 -1.08 0.00 0.00 179.45 178.22 1l8y n ALA 33 N -2.18 -0.28 0.06 3.86 0.00 0.10 -1.36 120.51 120.71 1l8y n ALA 33 Ca 0.01 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.67 1l8y n ALA 33 Cb 0.51 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.68 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 0.00 0.11 0.00 6.46 -0.40 -2.31 115.31 119.17 1l8y h LEU 34 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 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 0.00 -0.05 0.11 -0.62 0.00 0.00 178.44 177.88 1l8y h LYS 35 N 0.00 -0.14 -1.35 1.25 1.79 -1.52 -2.16 116.57 114.43 1l8y h LYS 35 Ca 0.22 0.01 0.41 0.00 -2.18 0.00 0.00 60.65 59.11 1l8y h LYS 35 Cb 1.24 0.03 -0.10 0.00 -1.58 0.00 0.00 32.23 31.82 1l8y h LYS 35 CO -0.00 -0.10 0.91 0.00 -1.08 0.00 0.00 179.45 179.18 1l8y h ALA 36 N -1.56 2.89 -0.27 3.86 0.00 -0.92 1.18 119.26 124.45 1l8y h ALA 36 Ca -0.02 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1l8y h ALA 36 Cb 0.12 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1l8y h ALA 36 CO 0.03 -1.42 -0.17 1.98 0.00 0.00 0.00 179.25 179.67 1l8y h MET 37 N 0.11 0.59 -0.33 0.00 1.85 -1.49 0.16 114.93 115.83 1l8y h MET 37 Ca 0.75 -0.28 -0.04 0.00 -0.61 0.00 0.00 59.70 59.52 1l8y h MET 37 Cb 2.51 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 34.52 1l8y h MET 37 CO -0.25 0.86 0.04 1.49 -0.40 0.00 0.00 176.91 178.64 1l8y h GLU 38 N 0.32 0.56 -0.16 0.39 4.81 0.20 -2.67 114.58 118.04 1l8y h GLU 38 Ca 0.06 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 59.06 1l8y h GLU 38 Cb 0.70 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 1l8y h GLU 38 CO 0.05 0.66 -0.18 0.52 -0.73 0.00 0.00 179.01 179.33 1l8y h MET 39 N 0.39 0.40 -0.33 1.92 2.86 -1.03 -1.98 114.93 117.16 1l8y h MET 39 Ca 0.10 -0.22 0.10 0.00 -2.06 0.00 0.00 59.70 57.62 1l8y h MET 39 Cb 0.38 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1l8y h MET 39 CO 0.01 0.78 0.28 1.15 1.06 0.00 0.00 176.91 180.19 1l8y h THR 40 N 0.04 0.64 0.12 2.22 2.02 -0.66 0.85 112.91 118.13 1l8y h THR 40 Ca 0.02 0.00 -0.33 0.00 0.77 0.00 0.00 66.41 66.88 1l8y h THR 40 Cb 0.72 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1l8y h THR 40 CO 0.04 0.00 -1.75 -0.25 0.37 0.00 0.00 175.52 173.93 1l8y h TRP 41 N 0.00 0.44 0.17 3.16 2.91 -1.39 -3.35 115.95 117.89 1l8y h TRP 41 Ca 0.16 -0.32 -0.29 0.00 1.13 0.00 0.00 58.89 59.56 1l8y h TRP 41 Cb 0.72 -0.02 0.03 0.00 -0.51 0.00 0.00 29.16 29.38 1l8y h TRP 41 CO 0.00 1.69 -1.25 -0.91 -1.03 0.00 0.00 178.44 176.94 1l8y h ASN 42 N -0.15 0.81 -0.01 2.65 2.35 -0.87 -3.16 115.58 117.20 1l8y h ASN 42 Ca -0.38 -0.87 0.00 0.00 -0.55 0.00 0.00 56.30 54.50 1l8y h ASN 42 Cb 1.89 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 40.00 1l8y h ASN 42 CO 0.05 1.61 0.05 -0.55 -1.65 0.00 0.00 177.43 176.95 1l8y h ASN 43 N 0.14 0.00 -0.19 5.81 -0.00 0.50 0.86 115.58 122.70 1l8y h ASN 43 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.10 1l8y h ASN 43 Cb 1.95 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 40.27 1l8y h ASN 43 CO 0.24 0.00 0.00 0.80 -0.00 0.00 0.00 177.43 178.47 1l8y n MET 44 N -3.24 2.31 0.00 4.14 1.56 -1.22 -5.07 117.12 115.61 1l8y n MET 44 Ca -0.03 -1.95 0.00 0.00 -0.27 0.00 0.00 57.70 55.46 1l8y n MET 44 Cb 0.13 -1.48 0.00 0.00 2.15 0.00 0.00 33.22 34.02 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 1.25 0.00 -0.60 2.12 -0.58 0.29 -2.73 120.64 120.40 1l8y n GLU 45 Ca 0.17 0.00 0.48 0.00 -0.42 0.00 0.00 57.16 57.39 1l8y n GLU 45 Cb 0.56 0.00 0.79 0.00 -0.57 0.00 0.00 31.44 32.22 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 0.00 0.16 3.49 3.64 -1.88 -1.90 116.57 120.08 1l8y h LYS 46 Ca 0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1l8y h LYS 46 Cb 0.00 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 1l8y h LYS 46 CO 0.00 0.00 -0.53 -0.22 -2.27 0.00 0.00 179.45 176.43 1l8y h LYS 47 N 0.00 -0.75 0.04 1.90 1.63 -1.86 -2.63 116.57 114.89 1l8y h LYS 47 Ca 0.83 0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 60.68 1l8y h LYS 47 Cb 3.42 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 35.22 1l8y h LYS 47 CO -0.01 -0.50 -0.02 0.93 -3.45 0.00 0.00 179.45 176.40 1l8y h GLU 48 N -0.78 -0.05 0.00 1.90 4.39 -1.45 -3.33 114.58 115.26 1l8y h GLU 48 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1l8y h GLU 48 Cb 0.77 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1l8y h GLU 48 CO -0.27 0.12 0.00 1.63 -1.16 0.00 0.00 179.01 179.34 1l8y n LYS 49 N -4.79 0.00 -0.34 2.33 5.02 -1.02 -0.32 118.16 119.05 1l8y n LYS 49 Ca -0.02 0.59 0.30 0.00 -2.02 0.00 0.00 58.31 57.17 1l8y n LYS 49 Cb 0.09 -1.12 0.57 0.00 -0.02 0.00 0.00 35.03 34.55 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 0.37 0.05 -0.35 -0.00 -1.70 -0.31 115.31 113.36 1l8y h LEU 50 Ca 0.00 0.23 -0.00 0.00 -0.00 0.00 0.00 57.88 58.11 1l8y h LEU 50 Cb 0.00 0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.88 1l8y h LEU 50 CO 0.00 -0.34 -0.02 0.24 -0.00 0.00 0.00 178.44 178.32 1l8y h MET 51 N 0.09 -0.06 -0.61 1.13 2.86 -1.40 -3.10 114.93 113.83 1l8y h MET 51 Ca 0.82 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 58.56 1l8y h MET 51 Cb 2.13 0.01 -0.11 0.00 0.06 0.00 0.00 31.60 33.70 1l8y h MET 51 CO -0.70 0.44 -0.40 -1.49 1.06 0.00 0.00 176.91 175.82 1l8y h TRP 52 N -0.59 -1.16 -0.46 -0.22 4.06 0.11 -0.10 115.95 117.60 1l8y h TRP 52 Ca -0.01 0.08 0.09 0.00 2.06 0.00 0.00 58.89 61.11 1l8y h TRP 52 Cb 0.52 0.60 -0.08 0.00 -1.00 0.00 0.00 29.16 29.20 1l8y h TRP 52 CO 0.10 -0.41 -0.05 -0.84 -3.56 0.00 0.00 178.44 173.68 1l8y h ILE 53 N -0.19 0.60 -0.16 1.49 3.07 -1.59 -1.14 117.51 119.58 1l8y h ILE 53 Ca 0.21 -0.02 -0.01 0.00 1.55 0.00 0.00 64.86 66.59 1l8y h ILE 53 Cb 0.56 0.53 -0.01 0.00 -0.27 0.00 0.00 36.82 37.64 1l8y h ILE 53 CO -0.71 0.01 0.06 0.50 -1.05 0.00 0.00 178.15 176.96 1l8y h LYS 54 N 0.06 0.22 -0.04 0.16 3.64 -1.00 2.25 116.57 121.86 1l8y h LYS 54 Ca 0.23 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1l8y h LYS 54 Cb 0.34 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1l8y h LYS 54 CO -0.42 0.19 0.02 -0.22 -2.27 0.00 0.00 179.45 176.75 1l8y h LYS 55 N 0.23 0.05 0.00 1.90 1.63 0.12 1.36 116.57 121.87 1l8y h LYS 55 Ca 0.06 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.83 1l8y h LYS 55 Cb 0.06 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1l8y h LYS 55 CO -0.01 0.13 -0.59 0.00 -3.45 0.00 0.00 179.45 175.54 1l8y h ALA 56 N 0.92 0.72 0.01 5.00 0.00 -1.26 -2.01 119.26 122.65 1l8y h ALA 56 Ca 0.01 -0.08 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 1l8y h ALA 56 Cb 0.09 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1l8y h ALA 56 CO -0.00 0.09 -0.94 0.00 0.00 0.00 0.00 179.25 178.40 1l8y h ALA 57 N 1.93 0.40 0.00 0.00 0.00 0.40 1.34 119.26 123.34 1l8y h ALA 57 Ca -0.01 -0.73 -0.14 0.00 0.00 0.00 0.00 54.91 54.04 1l8y h ALA 57 Cb 1.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1l8y h ALA 57 CO 0.01 0.87 -0.64 1.49 0.00 0.00 0.00 179.25 180.97 1l8y h GLU 58 N 0.17 0.00 0.00 0.00 4.57 0.18 -2.62 114.58 116.88 1l8y h GLU 58 Ca -0.07 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.08 1l8y h GLU 58 Cb 1.58 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.17 1l8y h GLU 58 CO 0.15 0.64 -0.37 -0.44 -1.18 0.00 0.00 179.01 177.82 1l8y h ASP 59 N 0.00 0.00 0.48 1.04 3.32 -0.90 -3.22 116.42 117.13 1l8y h ASP 59 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1l8y h ASP 59 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1l8y h ASP 59 CO 0.08 0.15 0.00 1.67 -1.72 0.00 0.00 179.24 179.43 1l8y n GLN 60 N -3.05 0.05 -0.20 3.56 0.00 0.46 -2.84 117.38 115.36 1l8y n GLN 60 Ca 0.02 0.21 -0.08 0.00 -0.00 0.00 0.00 57.00 57.15 1l8y n GLN 60 Cb 0.60 -1.50 0.02 0.00 0.00 0.00 0.00 30.24 29.36 1l8y n GLN 60 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 1l8y h LYS 61 N 0.00 0.86 0.00 3.69 3.11 -1.62 -2.12 116.57 120.49 1l8y h LYS 61 Ca 0.00 -0.19 0.00 0.00 -2.81 0.00 0.00 60.65 57.65 1l8y h LYS 61 Cb 0.24 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.35 1l8y h LYS 61 CO 0.00 0.79 0.00 0.54 -2.81 0.00 0.00 179.45 177.97 1l8y n ARG 62 N -4.44 0.00 -0.25 1.90 1.74 -1.13 -0.15 116.66 114.33 1l8y n ARG 62 Ca 0.02 0.45 0.32 0.00 -0.77 0.00 0.00 57.85 57.88 1l8y n ARG 62 Cb 0.20 -1.42 0.66 0.00 -1.02 0.00 0.00 32.46 30.88 1l8y n ARG 62 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1l8y h TYR 63 N 0.00 0.00 0.03 -1.55 0.05 -1.71 -0.52 116.97 113.26 1l8y h TYR 63 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 1l8y h TYR 63 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1l8y h TYR 63 CO 0.19 0.00 -0.01 1.49 -1.05 0.00 0.00 178.16 178.78 1l8y h GLU 64 N 0.00 -0.04 -0.91 4.88 4.81 -1.15 -3.30 114.58 118.87 1l8y h GLU 64 Ca 0.51 0.00 0.26 0.00 -0.13 0.00 0.00 59.36 60.01 1l8y h GLU 64 Cb 2.46 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 31.81 1l8y h GLU 64 CO -0.01 0.08 0.77 0.07 -0.73 0.00 0.00 179.01 179.19 1l8y h ARG 65 N -1.01 0.00 0.01 1.92 0.11 0.97 -0.37 114.38 116.02 1l8y h ARG 65 Ca -0.00 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.09 1l8y h ARG 65 Cb 0.13 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.18 1l8y h ARG 65 CO 0.01 0.00 -0.31 0.93 0.10 0.00 0.00 179.97 180.70 1l8y h GLU 66 N 0.00 -0.38 0.01 0.08 4.39 -1.31 0.59 114.58 117.95 1l8y h GLU 66 Ca 0.43 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.16 1l8y h GLU 66 Cb 1.96 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.70 1l8y h GLU 66 CO -0.00 -0.25 -0.00 1.37 -1.16 0.00 0.00 179.01 178.96 1l8y h LEU 67 N -0.39 -0.01 -1.97 1.33 -0.00 -1.43 -3.26 115.31 109.57 1l8y h LEU 67 Ca 0.00 -0.78 0.14 0.00 -0.00 0.00 0.00 57.88 57.24 1l8y h LEU 67 Cb 0.42 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.06 1l8y h LEU 67 CO -0.20 0.80 0.46 -1.28 -0.00 0.00 0.00 178.44 178.22 1l8y h SER 68 N -0.83 0.00 -0.32 0.17 0.87 -1.14 0.21 113.55 112.51 1l8y h SER 68 Ca -0.00 0.00 0.09 0.00 -1.23 0.00 0.00 61.79 60.65 1l8y h SER 68 Cb 0.79 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 1l8y h SER 68 CO 0.00 0.00 0.39 -0.33 -0.53 0.00 0.00 176.83 176.37 1l8y h GLU 69 N 0.00 0.00 0.00 2.24 4.39 0.15 0.72 114.58 122.08 1l8y h GLU 69 Ca 0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1l8y h GLU 69 Cb 1.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1l8y h GLU 69 CO -0.00 0.00 0.00 -1.33 -1.16 0.00 0.00 179.01 176.52 1l8y n MET 70 N -3.61 0.00 -0.21 2.33 2.81 0.06 -4.17 117.12 114.33 1l8y n MET 70 Ca 0.05 0.20 0.09 0.00 -1.81 0.00 0.00 57.70 56.24 1l8y n MET 70 Cb 0.55 -0.98 0.18 0.00 -0.71 0.00 0.00 33.22 32.26 1l8y n MET 70 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1l8y n ARG 71 N -0.68 1.87 -4.18 0.03 3.00 -1.19 -5.00 116.66 110.51 1l8y n ARG 71 Ca 0.00 -2.68 -0.38 0.00 -0.01 0.00 0.00 57.85 54.78 1l8y n ARG 71 Cb 0.00 -1.63 -0.04 0.00 0.00 0.00 0.00 32.46 30.79 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 -1.11 -2.29 -0.18 7.54 0.00 0.25 -4.84 120.51 119.89 1l8y n ALA 72 Ca 0.18 -0.48 -0.02 0.00 0.00 0.00 0.00 53.44 53.12 1l8y n ALA 72 Cb 0.73 -1.72 0.08 0.00 0.00 0.00 0.00 19.45 18.55 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 -2.17 0.35 -0.99 0.00 0.11 -1.95 -0.83 132.00 126.52 1l8y h PRO 73 Ca -0.68 -0.02 -0.33 0.00 0.11 0.00 0.00 66.00 65.08 1l8y h PRO 73 Cb 1.40 -0.08 -0.19 0.00 0.11 0.00 0.00 31.00 32.24 1l8y h PRO 73 CO 0.62 0.23 0.41 -0.35 -0.21 0.00 0.00 178.00 178.70 1l8y n PRO 74 N -5.01 1.92 -2.70 1.05 -0.04 -1.26 -4.40 135.00 124.56 1l8y n PRO 74 Ca 0.07 -2.00 -0.22 0.00 -0.04 0.00 0.00 63.50 61.31 1l8y n PRO 74 Cb 0.23 -1.79 -0.01 0.00 -0.04 0.00 0.00 33.50 31.89 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 -0.54 4.31 -1.52 0.55 0.00 -0.32 -4.89 120.51 118.09 1l8y n ALA 75 Ca 0.39 -4.06 -0.36 0.00 0.00 0.00 0.00 53.44 49.40 1l8y n ALA 75 Cb 1.26 -0.71 -0.10 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.26 0.55 -2.63 0.00 0.00 -1.26 -0.06 120.51 116.85 1l8y n ALA 76 Ca 0.29 -0.65 -0.20 0.00 0.00 0.00 0.00 53.44 52.88 1l8y n ALA 76 Cb 0.63 -2.74 0.00 0.00 0.00 0.00 0.00 19.45 17.35 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 7.67 -1.23 -1.18 0.00 -1.04 -1.26 -0.42 114.28 116.82 1l8y n THR 77 Ca 0.53 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.47 1l8y n THR 77 Cb 0.28 -2.91 -0.03 0.00 -1.82 0.00 0.00 70.33 65.86 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 -2.15 -4.15 -4.05 8.00 4.05 0.92 -0.83 115.26 117.05 1l8y n ASN 78 Ca -0.19 0.16 -0.31 0.00 0.45 0.00 0.00 54.58 54.69 1l8y n ASN 78 Cb 0.65 -2.20 -0.01 0.00 1.23 0.00 0.00 39.78 39.45 1l8y n ASN 78 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1l8y n SER 79 N 0.25 -2.72 0.00 1.20 2.88 0.44 -4.43 113.62 111.24 1l8y n SER 79 Ca -0.06 -0.94 0.00 0.00 -1.33 0.00 0.00 58.87 56.53 1l8y n SER 79 Cb 0.27 -3.18 0.00 0.00 -0.75 0.00 0.00 64.21 60.55 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 -2.81 0.00 -0.46 -3.46 2.88 -1.21 -5.07 113.62 103.48 1l8y n SER 80 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1l8y n SER 80 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 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 -0.34 -1.29 -2.62 -1.46 5.02 -0.01 -4.73 118.16 112.72 1l8y n LYS 81 Ca 0.00 0.97 -0.43 0.00 -2.02 0.00 0.00 58.31 56.83 1l8y n LYS 81 Cb 0.00 -1.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1l8y n LYS 81 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1l8y n LYS 82 N -1.20 3.60 -3.74 1.97 5.02 -1.26 -4.56 118.16 117.99 1l8y n LYS 82 Ca 0.00 -3.74 -0.28 0.00 -2.02 0.00 0.00 58.31 52.27 1l8y n LYS 82 Cb 0.04 -2.92 0.03 0.00 -0.02 0.00 0.00 35.03 32.16 1l8y n LYS 82 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1l8y n LEU 83 N 4.22 -2.61 0.00 -0.35 7.94 -1.26 -5.27 117.00 119.67 1l8y n LEU 83 Ca 0.37 -0.66 0.00 0.00 -1.11 0.00 0.00 56.01 54.61 1l8y n LEU 83 Cb 0.38 -2.63 0.00 0.00 0.53 0.00 0.00 43.42 41.70 1l8y n LEU 83 CO 0.73 0.45 0.00 1.21 -1.11 0.00 0.00 177.39 178.68