#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 -2.10 0.11 1.61 3.00 -1.25 -4.95 118.16 114.58 1l8y n LYS 2 Ca 0.00 1.68 0.00 0.00 -0.00 0.00 0.00 58.31 59.99 1l8y n LYS 2 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 35.03 31.67 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 -0.21 -1.27 0.00 3.14 4.32 -1.26 -5.03 117.00 116.69 1l8y n LEU 3 Ca -0.01 0.41 0.00 0.00 -0.02 0.00 0.00 56.01 56.39 1l8y n LEU 3 Cb 0.60 1.35 0.00 0.00 -1.62 0.00 0.00 43.42 43.75 1l8y n LEU 3 CO 0.53 -0.36 0.35 -2.65 -1.22 0.00 0.00 177.39 174.04 1l8y n PRO 4 N -3.07 0.00 -1.43 3.23 -0.02 -1.26 -4.74 135.00 127.71 1l8y n PRO 4 Ca 0.00 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1l8y n PRO 4 Cb 0.00 -1.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 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 -1.32 -0.14 0.07 -0.52 2.13 -0.34 -4.75 120.64 115.78 1l8y n GLU 5 Ca 0.00 -0.07 -0.12 0.00 0.66 0.00 0.00 57.16 57.63 1l8y n GLU 5 Cb 0.00 0.12 -0.05 0.00 0.27 0.00 0.00 31.44 31.78 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 0.79 -0.98 -2.04 4.31 0.87 -1.85 -3.44 113.55 111.21 1l8y h SER 6 Ca 0.00 0.13 -0.41 0.00 -1.23 0.00 0.00 61.79 60.27 1l8y h SER 6 Cb 0.00 0.39 0.22 0.00 -0.44 0.00 0.00 62.40 62.57 1l8y h SER 6 CO 0.00 -0.39 -1.18 -2.65 -0.53 0.00 0.00 176.83 172.08 1l8y n PRO 7 N -5.42 -1.54 -2.14 2.24 -0.02 -1.26 -4.99 135.00 121.87 1l8y n PRO 7 Ca -0.05 -0.44 -0.03 0.00 -2.02 0.00 0.00 63.50 60.96 1l8y n PRO 7 Cb 0.33 -1.55 0.06 0.00 -0.02 0.00 0.00 33.50 32.32 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 -1.38 0.94 0.00 -0.52 3.00 -1.14 -4.95 118.16 114.12 1l8y n LYS 8 Ca 0.01 -1.39 0.00 0.00 -0.00 0.00 0.00 58.31 56.93 1l8y n LYS 8 Cb 0.59 0.25 0.00 0.00 0.00 0.00 0.00 35.03 35.87 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 -0.92 0.00 0.00 1.64 5.12 1.61 -3.39 116.66 120.71 1l8y n ARG 9 Ca -0.18 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.74 1l8y n ARG 9 Cb 0.83 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.13 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 5.47 0.00 0.12 7.54 0.00 0.15 -2.64 120.51 131.15 1l8y n ALA 10 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 1l8y n ALA 10 Cb 0.00 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.12 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 -1.59 -2.57 114.58 115.51 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 -0.32 2.33 4.57 -0.04 -2.46 114.58 118.66 1l8y h GLU 12 Ca 0.18 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.43 1l8y h GLU 12 Cb 1.31 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.82 1l8y h GLU 12 CO -0.00 0.00 -0.28 0.97 -1.18 0.00 0.00 179.01 178.51 1l8y h ILE 13 N -0.44 0.30 0.06 2.32 6.09 -1.04 -2.56 117.51 122.24 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 0.00 0.30 0.00 0.00 0.47 0.00 0.00 36.82 37.60 1l8y h ILE 13 CO 0.00 0.00 -0.03 -0.25 -3.07 0.00 0.00 178.15 174.80 1l8y h TRP 14 N -0.26 -0.08 0.00 2.19 7.01 -1.66 -2.41 115.95 120.75 1l8y h TRP 14 Ca 0.16 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.16 1l8y h TRP 14 Cb 0.51 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.58 1l8y h TRP 14 CO -0.47 0.52 -0.12 0.37 -2.79 0.00 0.00 178.44 175.95 1l8y h GLN 15 N -0.78 -0.15 -1.05 2.65 4.15 -1.43 0.37 115.11 118.86 1l8y h GLN 15 Ca -0.01 0.01 0.29 0.00 0.77 0.00 0.00 58.65 59.71 1l8y h GLN 15 Cb 0.63 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.29 1l8y h GLN 15 CO 0.01 -0.10 0.73 1.96 -1.93 0.00 0.00 178.83 179.50 1l8y h GLN 16 N -0.16 0.15 -0.39 1.69 1.08 -1.61 1.56 115.11 117.44 1l8y h GLN 16 Ca 0.00 -0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.11 1l8y h GLN 16 Cb 0.17 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 1l8y h GLN 16 CO -0.08 0.10 -0.07 0.77 -0.95 0.00 0.00 178.83 178.60 1l8y h SER 17 N 0.16 0.74 0.00 1.46 0.02 -0.36 -3.35 113.55 112.21 1l8y h SER 17 Ca 0.54 -0.35 -0.38 0.00 -0.84 0.00 0.00 61.79 60.76 1l8y h SER 17 Cb 1.82 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 64.10 1l8y h SER 17 CO -0.11 0.92 -2.25 1.33 -1.14 0.00 0.00 176.83 175.58 1l8y n VAL 18 N -4.38 1.28 -0.21 2.27 0.24 0.11 -4.60 118.33 113.04 1l8y n VAL 18 Ca -0.01 -0.31 0.19 0.00 -2.04 0.00 0.00 64.34 62.17 1l8y n VAL 18 Cb 0.34 -1.83 0.35 0.00 -1.47 0.00 0.00 33.84 31.23 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 -4.05 -0.27 -0.09 1.34 3.06 0.51 0.16 119.36 120.01 1l8y n ILE 19 Ca -0.45 1.34 -0.08 0.00 -2.50 0.00 0.00 62.75 61.06 1l8y n ILE 19 Cb 0.81 -2.14 -0.01 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 0.45 1.90 4.50 0.00 -1.71 1.28 103.07 109.48 1l8y h GLY 20 Ca 0.53 -0.15 -0.12 0.00 0.00 0.00 0.00 47.33 47.59 1l8y h GLY 20 CO -0.52 0.13 -0.63 -1.80 0.00 0.00 0.00 176.54 173.72 1l8y h ASP 21 N 0.39 0.00 0.29 0.19 3.58 0.12 -1.68 116.42 119.32 1l8y h ASP 21 Ca 0.13 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.37 1l8y h ASP 21 Cb -0.01 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.04 1l8y h ASP 21 CO -0.06 0.55 -0.85 1.88 -2.88 0.00 0.00 179.24 177.89 1l8y h TYR 22 N 0.00 0.60 0.00 0.28 -1.99 0.50 -2.75 116.97 113.61 1l8y h TYR 22 Ca -0.02 -0.30 -0.09 0.00 2.00 0.00 0.00 58.73 60.33 1l8y h TYR 22 Cb 1.44 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 40.08 1l8y h TYR 22 CO 0.00 1.09 -0.68 -0.07 -0.00 0.00 0.00 178.16 178.51 1l8y h LEU 23 N 0.26 0.00 -0.39 3.88 3.38 0.16 -3.27 115.31 119.33 1l8y h LEU 23 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1l8y h LEU 23 Cb 1.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1l8y h LEU 23 CO 0.15 0.36 0.00 0.00 0.09 0.00 0.00 178.44 179.04 1l8y h ALA 24 N 1.64 1.00 0.01 1.53 0.00 -1.24 -0.38 119.26 121.83 1l8y h ALA 24 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1l8y h ALA 24 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1l8y h ALA 24 CO 0.04 0.00 -0.01 0.07 0.00 0.00 0.00 179.25 179.35 1l8y h ARG 25 N 0.00 -0.02 0.00 0.00 0.11 -1.54 -3.39 114.38 109.54 1l8y h ARG 25 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1l8y h ARG 25 Cb 0.74 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.83 1l8y h ARG 25 CO 0.00 0.73 -0.67 0.34 0.10 0.00 0.00 179.97 180.47 1l8y n PHE 26 N -4.72 0.00 -1.82 4.08 7.35 -1.25 -5.07 117.46 116.02 1l8y n PHE 26 Ca -0.09 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.60 1l8y n PHE 26 Cb 0.37 -0.05 -0.00 0.00 0.35 0.00 0.00 39.48 40.15 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 -1.36 -0.94 -0.59 -4.13 3.00 -0.16 -4.64 118.16 109.33 1l8y n LYS 27 Ca 0.01 1.12 0.00 0.00 -0.00 0.00 0.00 58.31 59.44 1l8y n LYS 27 Cb 0.17 -2.17 0.00 0.00 0.00 0.00 0.00 35.03 33.03 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 0.19 -1.37 0.08 3.14 2.85 -1.15 -4.95 115.26 114.06 1l8y n ASN 28 Ca -0.00 0.00 0.08 0.00 -0.11 0.00 0.00 54.58 54.55 1l8y n ASN 28 Cb 0.00 -0.26 0.37 0.00 1.24 0.00 0.00 39.78 41.14 1l8y n ASN 28 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1l8y n ASP 29 N 1.02 0.35 0.00 1.20 2.03 -1.26 -4.12 116.55 115.77 1l8y n ASP 29 Ca 0.00 0.62 0.00 0.00 0.52 0.00 0.00 54.79 55.93 1l8y n ASP 29 Cb 0.04 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 39.76 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 -1.92 0.00 -0.25 -0.67 3.00 -1.26 0.29 116.66 115.84 1l8y n ARG 30 Ca 0.01 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 57.90 1l8y n ARG 30 Cb 0.11 0.00 0.14 0.00 0.00 0.00 0.00 32.46 32.71 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 0.32 0.00 5.15 2.07 -1.99 1.05 116.25 122.85 1l8y h VAL 31 Ca 0.00 -0.02 -0.21 0.00 0.82 0.00 0.00 66.70 67.28 1l8y h VAL 31 Cb 0.00 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 1l8y h VAL 31 CO 0.00 0.01 -1.03 0.11 0.02 0.00 0.00 177.57 176.69 1l8y h LYS 32 N 0.07 0.00 -0.75 1.57 1.57 0.40 -3.28 116.57 116.14 1l8y h LYS 32 Ca 0.39 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.13 1l8y h LYS 32 Cb 0.67 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 1l8y h LYS 32 CO -0.69 0.97 0.28 0.00 -0.57 0.00 0.00 179.45 179.44 1l8y h ALA 33 N 1.01 0.98 -0.36 3.86 0.00 0.17 -0.43 119.26 124.48 1l8y h ALA 33 Ca -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1l8y h ALA 33 Cb 1.78 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 1l8y h ALA 33 CO 0.13 0.62 0.12 1.25 0.00 0.00 0.00 179.25 181.37 1l8y h LEU 34 N 1.09 0.46 0.03 0.00 6.46 0.85 -1.11 115.31 123.07 1l8y h LEU 34 Ca 0.25 -0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.96 1l8y h LEU 34 Cb 0.24 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 1l8y h LEU 34 CO -0.02 0.43 -0.01 0.11 -0.62 0.00 0.00 178.44 178.33 1l8y h LYS 35 N 0.50 -0.03 -0.84 1.25 1.79 -1.52 1.04 116.57 118.76 1l8y h LYS 35 Ca 0.12 0.00 0.24 0.00 -2.18 0.00 0.00 60.65 58.84 1l8y h LYS 35 Cb 0.14 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.76 1l8y h LYS 35 CO -0.01 0.27 0.71 0.00 -1.08 0.00 0.00 179.45 179.34 1l8y h ALA 36 N -0.70 2.71 0.00 3.86 0.00 -1.09 1.03 119.26 125.08 1l8y h ALA 36 Ca -0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1l8y h ALA 36 Cb 0.32 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1l8y h ALA 36 CO 0.01 -1.14 -0.83 1.98 0.00 0.00 0.00 179.25 179.26 1l8y h MET 37 N 0.00 0.00 0.36 0.00 1.85 -1.23 -3.23 114.93 112.67 1l8y h MET 37 Ca 0.40 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.47 1l8y h MET 37 Cb 1.81 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.84 1l8y h MET 37 CO -0.00 0.77 -0.17 1.49 -0.40 0.00 0.00 176.91 178.59 1l8y h GLU 38 N -1.00 -0.46 0.26 0.39 4.57 0.27 -2.65 114.58 115.95 1l8y h GLU 38 Ca -0.21 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.00 1l8y h GLU 38 Cb 1.04 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.72 1l8y h GLU 38 CO -0.12 -0.19 -0.29 0.52 -1.18 0.00 0.00 179.01 177.75 1l8y h MET 39 N -0.69 -0.53 -1.46 1.92 2.86 0.86 -1.77 114.93 116.11 1l8y h MET 39 Ca -0.05 0.04 0.44 0.00 -2.06 0.00 0.00 59.70 58.06 1l8y h MET 39 Cb 0.49 0.12 -0.09 0.00 0.06 0.00 0.00 31.60 32.18 1l8y h MET 39 CO 0.08 -0.35 1.01 1.15 1.06 0.00 0.00 176.91 179.85 1l8y h THR 40 N -0.55 0.20 -0.15 2.22 2.02 -1.64 1.35 112.91 116.35 1l8y h THR 40 Ca -0.03 -0.02 -0.21 0.00 0.77 0.00 0.00 66.41 66.92 1l8y h THR 40 Cb 0.48 0.12 0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1l8y h THR 40 CO -0.05 0.01 -0.72 -0.25 0.37 0.00 0.00 175.52 174.88 1l8y h TRP 41 N 0.07 1.02 0.00 3.16 2.91 -0.99 -3.14 115.95 118.97 1l8y h TRP 41 Ca 0.77 -0.45 -0.19 0.00 1.13 0.00 0.00 58.89 60.16 1l8y h TRP 41 Cb 2.76 -0.16 -0.03 0.00 -0.51 0.00 0.00 29.16 31.22 1l8y h TRP 41 CO -0.00 1.27 -1.18 -2.95 -1.03 0.00 0.00 178.44 174.55 1l8y h ASN 42 N 0.47 0.00 0.38 2.65 7.08 0.91 -3.09 115.58 123.99 1l8y h ASN 42 Ca -0.05 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.17 1l8y h ASN 42 Cb 1.35 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.59 1l8y h ASN 42 CO 0.15 0.72 0.00 0.59 -2.08 0.00 0.00 177.43 176.81 1l8y n ASN 43 N -3.08 0.00 -0.35 6.14 3.02 0.41 -1.56 115.26 119.84 1l8y n ASN 43 Ca -0.07 0.39 0.06 0.00 -0.03 0.00 0.00 54.58 54.93 1l8y n ASN 43 Cb 0.88 -0.44 0.02 0.00 -0.61 0.00 0.00 39.78 39.62 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 -1.44 1.53 0.00 3.52 1.56 -1.19 -5.03 117.12 116.07 1l8y n MET 44 Ca 0.04 -0.86 0.00 0.00 -0.27 0.00 0.00 57.70 56.60 1l8y n MET 44 Cb 0.14 -1.17 0.00 0.00 2.15 0.00 0.00 33.22 34.33 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 0.10 0.00 -0.34 2.12 2.13 -0.60 -3.06 120.64 121.00 1l8y n GLU 45 Ca 0.06 0.00 0.36 0.00 0.66 0.00 0.00 57.16 58.24 1l8y n GLU 45 Cb 0.27 0.00 0.70 0.00 0.27 0.00 0.00 31.44 32.68 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 0.27 5.31 3.64 -1.90 -2.13 116.57 121.76 1l8y h LYS 46 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1l8y h LYS 46 Cb 0.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1l8y h LYS 46 CO 0.00 0.00 -0.43 -0.22 -2.27 0.00 0.00 179.45 176.53 1l8y h LYS 47 N 0.00 -0.71 0.07 1.90 1.63 -1.89 -2.89 116.57 114.68 1l8y h LYS 47 Ca 0.59 0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 60.44 1l8y h LYS 47 Cb 2.65 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 34.44 1l8y h LYS 47 CO -0.01 -0.47 -0.03 0.93 -3.45 0.00 0.00 179.45 176.42 1l8y h GLU 48 N -0.73 -0.09 0.00 1.90 5.08 -1.53 -3.28 114.58 115.93 1l8y h GLU 48 Ca -0.03 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1l8y h GLU 48 Cb 0.68 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1l8y h GLU 48 CO -0.14 -0.06 0.00 1.63 -1.00 0.00 0.00 179.01 179.44 1l8y n LYS 49 N -3.29 0.00 -0.31 2.33 5.02 -1.03 0.19 118.16 121.08 1l8y n LYS 49 Ca -0.01 0.52 0.13 0.00 -2.02 0.00 0.00 58.31 56.93 1l8y n LYS 49 Cb 0.04 -0.89 0.31 0.00 -0.02 0.00 0.00 35.03 34.47 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 -0.79 -0.35 -0.00 -1.73 -0.47 115.31 112.32 1l8y h LEU 50 Ca 0.00 0.15 -0.10 0.00 -0.00 0.00 0.00 57.88 57.93 1l8y h LEU 50 Cb 0.00 0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.77 1l8y h LEU 50 CO 0.00 0.01 -0.48 0.24 -0.00 0.00 0.00 178.44 178.21 1l8y h MET 51 N 0.41 0.00 -0.53 1.13 2.86 -1.17 -2.94 114.93 114.69 1l8y h MET 51 Ca 0.56 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 58.15 1l8y h MET 51 Cb 1.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 1l8y h MET 51 CO -0.52 0.48 0.10 -1.49 1.06 0.00 0.00 176.91 176.53 1l8y h TRP 52 N 0.00 0.86 0.37 -0.22 4.06 0.15 -2.29 115.95 118.87 1l8y h TRP 52 Ca -0.00 -0.09 -0.02 0.00 2.06 0.00 0.00 58.89 60.84 1l8y h TRP 52 Cb 1.02 -0.25 0.00 0.00 -1.00 0.00 0.00 29.16 28.93 1l8y h TRP 52 CO 0.00 0.74 -0.20 0.82 -3.56 0.00 0.00 178.44 176.24 1l8y h ILE 53 N 0.79 0.00 -0.82 1.49 2.04 -1.33 -2.90 117.51 116.78 1l8y h ILE 53 Ca 0.17 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.27 1l8y h ILE 53 Cb 0.34 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 1l8y h ILE 53 CO 0.00 0.00 0.69 0.50 0.00 0.00 0.00 178.15 179.34 1l8y h LYS 54 N -0.53 0.00 0.37 2.37 3.64 -1.46 2.44 116.57 123.40 1l8y h LYS 54 Ca -0.05 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1l8y h LYS 54 Cb 0.41 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1l8y h LYS 54 CO 0.07 0.00 -0.18 -0.22 -2.27 0.00 0.00 179.45 176.85 1l8y h LYS 55 N 0.00 -0.48 0.00 1.90 3.64 -1.20 1.09 116.57 121.52 1l8y h LYS 55 Ca 0.39 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1l8y h LYS 55 Cb 1.76 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.69 1l8y h LYS 55 CO -0.00 -0.30 -0.67 0.00 -2.27 0.00 0.00 179.45 176.21 1l8y h ALA 56 N 0.11 0.61 0.00 5.00 0.00 -1.01 -2.42 119.26 121.55 1l8y h ALA 56 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1l8y h ALA 56 Cb 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1l8y h ALA 56 CO 0.08 0.00 -0.53 0.00 0.00 0.00 0.00 179.25 178.80 1l8y h ALA 57 N 2.29 0.91 0.00 0.00 0.00 0.43 1.66 119.26 124.55 1l8y h ALA 57 Ca 0.00 -0.48 -0.21 0.00 0.00 0.00 0.00 54.91 54.22 1l8y h ALA 57 Cb 0.85 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1l8y h ALA 57 CO 0.00 0.66 -1.07 1.49 0.00 0.00 0.00 179.25 180.33 1l8y h GLU 58 N 0.00 0.00 0.01 0.00 4.57 0.12 -3.33 114.58 115.95 1l8y h GLU 58 Ca -0.01 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 1l8y h GLU 58 Cb 1.09 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.68 1l8y h GLU 58 CO 0.07 0.83 -0.28 0.22 -1.18 0.00 0.00 179.01 178.67 1l8y h ASP 59 N 0.00 0.23 -1.07 1.04 3.58 -0.80 -3.27 116.42 116.13 1l8y h ASP 59 Ca -0.06 -0.80 0.31 0.00 0.42 0.00 0.00 57.03 56.90 1l8y h ASP 59 Cb 1.76 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 42.69 1l8y h ASP 59 CO 0.11 1.00 0.97 0.06 -2.88 0.00 0.00 179.24 178.50 1l8y h GLN 60 N -0.51 0.00 -0.93 0.28 -0.00 0.23 0.46 115.11 114.64 1l8y h GLN 60 Ca -0.04 0.00 0.24 0.00 -0.00 0.00 0.00 58.65 58.85 1l8y h GLN 60 Cb 1.05 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 28.47 1l8y h GLN 60 CO 0.05 0.00 0.63 0.87 -0.00 0.00 0.00 178.83 180.39 1l8y h LYS 61 N 0.00 0.21 0.01 0.06 1.79 -1.70 1.98 116.57 118.92 1l8y h LYS 61 Ca 0.51 -0.01 -0.21 0.00 -2.18 0.00 0.00 60.65 58.76 1l8y h LYS 61 Cb 2.44 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 33.02 1l8y h LYS 61 CO -0.01 0.14 -0.97 0.00 -1.08 0.00 0.00 179.45 177.53 1l8y h ARG 62 N 0.22 0.03 -0.04 3.15 3.08 -0.31 -3.20 114.38 117.30 1l8y h ARG 62 Ca 0.47 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.48 1l8y h ARG 62 Cb 1.48 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.54 1l8y h ARG 62 CO -0.12 0.97 0.00 0.66 -1.07 0.00 0.00 179.97 180.42 1l8y n TYR 63 N -3.42 0.02 0.18 3.04 4.01 0.11 -4.04 117.16 117.06 1l8y n TYR 63 Ca -0.01 -0.01 0.12 0.00 -0.16 0.00 0.00 57.90 57.84 1l8y n TYR 63 Cb 0.91 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.95 1l8y n TYR 63 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1l8y n GLU 64 N 1.36 0.55 0.18 -0.72 2.13 0.63 -1.20 120.64 123.58 1l8y n GLU 64 Ca 0.14 0.10 0.14 0.00 0.66 0.00 0.00 57.16 58.20 1l8y n GLU 64 Cb 0.60 -1.79 0.58 0.00 0.27 0.00 0.00 31.44 31.10 1l8y n GLU 64 CO 0.00 0.00 0.00 0.07 -0.41 0.00 0.00 177.13 176.79 1l8y h ARG 65 N 0.00 0.00 0.00 5.31 0.11 -1.69 -2.85 114.38 115.26 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 0.96 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.04 1l8y h ARG 65 CO 0.00 0.00 0.00 0.39 0.10 0.00 0.00 179.97 180.46 1l8y n GLU 66 N -2.53 0.00 0.04 0.08 -0.58 -1.24 -2.98 120.64 113.44 1l8y n GLU 66 Ca 0.01 0.17 -0.13 0.00 -0.42 0.00 0.00 57.16 56.80 1l8y n GLU 66 Cb 0.24 -0.81 -0.07 0.00 -0.57 0.00 0.00 31.44 30.23 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 -1.30 -2.07 -4.62 8.10 -1.74 -1.25 115.31 112.43 1l8y h LEU 67 Ca 0.00 0.16 0.10 0.00 0.11 0.00 0.00 57.88 58.26 1l8y h LEU 67 Cb 0.00 0.52 -0.01 0.00 -0.44 0.00 0.00 40.66 40.72 1l8y h LEU 67 CO 0.00 -0.45 0.30 -1.28 -4.11 0.00 0.00 178.44 172.90 1l8y h SER 68 N -0.55 0.00 0.26 0.17 0.87 -1.72 0.13 113.55 112.71 1l8y h SER 68 Ca 0.05 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1l8y h SER 68 Cb 0.65 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1l8y h SER 68 CO -0.34 0.00 -0.05 -0.33 -0.53 0.00 0.00 176.83 175.58 1l8y h GLU 69 N 0.00 0.00 0.00 2.24 4.39 -1.12 -1.28 114.58 118.82 1l8y h GLU 69 Ca 0.17 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.76 1l8y h GLU 69 Cb 0.78 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.41 1l8y h GLU 69 CO -0.00 0.05 -0.51 0.52 -1.16 0.00 0.00 179.01 177.90 1l8y h MET 70 N 0.00 0.00 -1.00 2.33 2.86 -0.73 -3.03 114.93 115.36 1l8y h MET 70 Ca -0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 1l8y h MET 70 Cb 0.19 0.00 -0.30 0.00 0.06 0.00 0.00 31.60 31.55 1l8y h MET 70 CO 0.01 0.51 0.68 0.54 1.06 0.00 0.00 176.91 179.71 1l8y n ARG 71 N -3.63 2.29 -2.91 1.72 5.12 -0.48 -4.47 116.66 114.29 1l8y n ARG 71 Ca -0.01 -3.01 -0.14 0.00 -1.93 0.00 0.00 57.85 52.77 1l8y n ARG 71 Cb 0.58 -2.18 -0.00 0.00 -1.16 0.00 0.00 32.46 29.70 1l8y n ARG 71 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1l8y n ALA 72 N -1.10 2.82 -0.20 7.54 0.00 -1.14 -4.94 120.51 123.49 1l8y n ALA 72 Ca 0.60 -3.33 -0.01 0.00 0.00 0.00 0.00 53.44 50.70 1l8y n ALA 72 Cb 1.53 -0.92 0.10 0.00 0.00 0.00 0.00 19.45 20.16 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 2.99 0.44 -1.11 0.00 0.11 -1.79 -1.08 132.00 131.55 1l8y h PRO 73 Ca 0.01 -0.03 -0.33 0.00 0.11 0.00 0.00 66.00 65.76 1l8y h PRO 73 Cb 1.06 -0.10 -0.18 0.00 0.11 0.00 0.00 31.00 31.89 1l8y h PRO 73 CO 0.52 0.29 0.42 -0.35 -0.21 0.00 0.00 178.00 178.67 1l8y n PRO 74 N -4.95 1.80 -2.56 1.05 -0.04 -1.26 -4.40 135.00 124.64 1l8y n PRO 74 Ca 0.08 -1.81 -0.25 0.00 -0.04 0.00 0.00 63.50 61.48 1l8y n PRO 74 Cb 0.24 -1.71 -0.00 0.00 -0.04 0.00 0.00 33.50 31.99 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 -0.32 4.78 -3.63 0.55 0.00 -0.41 -4.14 120.51 117.34 1l8y n ALA 75 Ca 0.36 -4.21 -0.29 0.00 0.00 0.00 0.00 53.44 49.29 1l8y n ALA 75 Cb 1.03 -0.61 -0.13 0.00 0.00 0.00 0.00 19.45 19.73 1l8y n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l8y s ALA 76 N -3.47 1.57 -1.16 0.00 0.00 -1.26 -4.88 121.76 112.57 1l8y s ALA 76 Ca 0.45 -2.11 -0.04 0.00 0.00 0.00 0.00 51.96 50.26 1l8y s ALA 76 Cb 0.39 -1.72 -0.03 0.00 0.00 0.00 0.00 23.12 21.76 1l8y s ALA 76 CO -0.16 -1.98 0.89 0.25 0.00 0.00 0.00 175.76 174.76 1l8y n THR 77 N 4.03 -6.79 -1.47 0.00 -2.24 -1.26 -1.53 114.28 105.02 1l8y n THR 77 Ca 0.07 -0.85 -0.13 0.00 -2.27 0.00 0.00 64.05 60.87 1l8y n THR 77 Cb 0.37 -5.22 -0.05 0.00 -2.10 0.00 0.00 70.33 63.33 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 -3.10 -4.56 -2.74 3.42 5.15 -1.26 0.85 115.26 113.02 1l8y n ASN 78 Ca -0.20 0.30 -0.14 0.00 -0.60 0.00 0.00 54.58 53.94 1l8y n ASN 78 Cb 0.65 -3.28 -0.00 0.00 -0.53 0.00 0.00 39.78 36.61 1l8y n ASN 78 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1l8y n SER 79 N -0.19 -3.53 0.00 1.20 3.41 -0.58 -4.13 113.62 109.80 1l8y n SER 79 Ca -0.14 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 1l8y n SER 79 Cb 0.46 -2.99 0.00 0.00 -0.26 0.00 0.00 64.21 61.42 1l8y n SER 79 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1l8y n SER 80 N -1.92 0.00 -3.36 4.04 2.88 -1.10 -4.98 113.62 109.18 1l8y n SER 80 Ca -0.09 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.06 1l8y n SER 80 Cb 0.58 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.01 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 -0.15 3.72 -1.39 -1.46 4.76 0.25 -4.72 118.16 119.16 1l8y n LYS 81 Ca 0.00 -2.34 -0.24 0.00 -2.87 0.00 0.00 58.31 52.86 1l8y n LYS 81 Cb 0.00 -2.82 -0.08 0.00 -1.84 0.00 0.00 35.03 30.29 1l8y n LYS 81 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1l8y n LYS 82 N 3.60 2.38 -3.84 1.97 2.85 -1.25 -4.72 118.16 119.15 1l8y n LYS 82 Ca 0.76 -2.07 -0.25 0.00 -1.05 0.00 0.00 58.31 55.70 1l8y n LYS 82 Cb 0.24 -2.13 -0.02 0.00 -0.65 0.00 0.00 35.03 32.48 1l8y n LYS 82 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1l8y s LEU 83 N -1.67 2.88 0.00 -5.58 2.96 -1.26 -5.18 118.68 110.83 1l8y s LEU 83 Ca 0.61 -1.13 0.25 0.00 -0.22 0.00 0.00 54.13 53.64 1l8y s LEU 83 Cb 0.36 -1.38 1.52 0.00 0.50 0.00 0.00 46.19 47.19 1l8y s LEU 83 CO -0.17 -0.96 1.88 -0.62 -1.32 0.00 0.00 176.35 175.16