#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 2.47 -3.06 1.61 4.81 -0.87 -4.88 118.16 118.23 1l8y n LYS 2 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.28 1l8y n LYS 2 Cb 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.05 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 -0.15 0.00 3.14 -0.00 -1.26 -4.73 117.00 114.00 1l8y n LEU 3 Ca 0.00 -4.60 0.00 0.00 -0.00 0.00 0.00 56.01 51.41 1l8y n LEU 3 Cb 0.00 0.77 0.00 0.00 -0.00 0.00 0.00 43.42 44.19 1l8y n LEU 3 CO 0.00 2.21 0.00 -0.81 -0.00 0.00 0.00 177.39 178.79 1l8y n PRO 4 N 0.47 0.00 -0.01 1.47 -0.04 -1.26 -5.06 135.00 130.57 1l8y n PRO 4 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1l8y n PRO 4 Cb 0.65 -0.03 0.00 0.00 -0.04 0.00 0.00 33.50 34.09 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 0.00 0.00 0.54 2.13 -1.26 -5.11 120.64 116.94 1l8y n GLU 5 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1l8y n GLU 5 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 -0.01 0.00 -0.41 4.31 2.88 -1.26 -4.45 113.62 114.67 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 3.17 -1.21 -1.46 -0.02 -1.26 -5.03 135.00 129.18 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 -0.02 0.00 -0.02 0.00 0.00 33.50 33.46 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 0.22 0.00 -0.52 3.00 -1.19 -4.96 118.16 114.71 1l8y n LYS 8 Ca 0.00 -0.84 0.00 0.00 -0.00 0.00 0.00 58.31 57.47 1l8y n LYS 8 Cb 0.00 0.47 0.00 0.00 0.00 0.00 0.00 35.03 35.50 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 -0.25 0.00 0.00 1.64 5.12 2.29 -3.23 116.66 122.23 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 0.65 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.95 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 5.58 -0.00 0.02 7.54 0.00 -0.16 -2.69 120.51 130.80 1l8y n ALA 10 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.66 1l8y n ALA 10 Cb 0.00 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.06 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 -1.71 -1.83 114.58 116.12 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 -0.35 2.33 4.57 -1.47 -1.98 114.58 117.68 1l8y h GLU 12 Ca 0.27 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.52 1l8y h GLU 12 Cb 1.73 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 30.25 1l8y h GLU 12 CO -0.00 -0.00 -0.16 0.97 -1.18 0.00 0.00 179.01 178.64 1l8y h ILE 13 N -0.01 0.51 0.16 2.32 6.09 -1.00 -1.56 117.51 124.02 1l8y h ILE 13 Ca -0.00 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.48 1l8y h ILE 13 Cb 0.00 0.51 0.00 0.00 0.47 0.00 0.00 36.82 37.80 1l8y h ILE 13 CO 0.00 0.00 -0.08 -0.25 -3.07 0.00 0.00 178.15 174.75 1l8y h TRP 14 N -0.10 -0.20 0.15 2.19 7.01 -1.53 -2.06 115.95 121.41 1l8y h TRP 14 Ca 0.17 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.17 1l8y h TRP 14 Cb 0.36 0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.46 1l8y h TRP 14 CO -0.38 0.11 -0.36 0.37 -2.79 0.00 0.00 178.44 175.40 1l8y h GLN 15 N -0.99 -0.54 -1.15 2.65 4.15 -1.39 0.65 115.11 118.49 1l8y h GLN 15 Ca -0.02 0.04 0.32 0.00 0.77 0.00 0.00 58.65 59.76 1l8y h GLN 15 Cb 0.40 0.12 -0.07 0.00 0.21 0.00 0.00 27.48 28.15 1l8y h GLN 15 CO 0.04 -0.36 0.80 0.37 -1.93 0.00 0.00 178.83 177.74 1l8y h GLN 16 N -0.56 0.12 0.01 1.69 4.15 -1.30 1.77 115.11 121.00 1l8y h GLN 16 Ca -0.01 -0.01 -0.23 0.00 0.77 0.00 0.00 58.65 59.17 1l8y h GLN 16 Cb 0.54 -0.03 0.02 0.00 0.21 0.00 0.00 27.48 28.22 1l8y h GLN 16 CO -0.16 0.08 -0.90 1.03 -1.93 0.00 0.00 178.83 176.95 1l8y h SER 17 N 0.12 0.77 0.01 -0.69 0.87 -0.05 -3.38 113.55 111.19 1l8y h SER 17 Ca 0.58 -0.76 -0.42 0.00 -1.23 0.00 0.00 61.79 59.96 1l8y h SER 17 Cb 2.04 -0.24 -0.06 0.00 -0.44 0.00 0.00 62.40 63.70 1l8y h SER 17 CO -0.11 1.43 -2.38 1.33 -0.53 0.00 0.00 176.83 176.57 1l8y n VAL 18 N -3.98 1.53 -0.26 2.23 0.24 0.20 -4.47 118.33 113.82 1l8y n VAL 18 Ca -0.11 -0.41 0.23 0.00 -2.04 0.00 0.00 64.34 62.01 1l8y n VAL 18 Cb 0.82 -1.78 0.40 0.00 -1.47 0.00 0.00 33.84 31.81 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 -4.01 -0.20 -0.27 1.34 3.06 0.58 0.21 119.36 120.08 1l8y n ILE 19 Ca -0.50 1.18 -0.04 0.00 -2.50 0.00 0.00 62.75 60.89 1l8y n ILE 19 Cb 0.90 -1.92 0.07 0.00 0.54 0.00 0.00 39.64 39.22 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 1.05 1.38 4.50 0.00 -1.75 0.92 103.07 109.17 1l8y h GLY 20 Ca 0.54 -0.38 -0.26 0.00 0.00 0.00 0.00 47.33 47.23 1l8y h GLY 20 CO -0.36 0.36 -1.43 -1.80 0.00 0.00 0.00 176.54 173.31 1l8y h ASP 21 N 0.99 0.02 -0.27 0.19 1.82 0.21 -2.94 116.42 116.44 1l8y h ASP 21 Ca 0.28 -0.03 -0.12 0.00 -0.39 0.00 0.00 57.03 56.77 1l8y h ASP 21 Cb -0.09 -0.01 -0.00 0.00 0.68 0.00 0.00 39.33 39.91 1l8y h ASP 21 CO -0.07 1.03 -0.29 1.88 -1.61 0.00 0.00 179.24 180.18 1l8y h TYR 22 N 0.00 0.82 0.00 0.28 0.05 -0.73 -1.95 116.97 115.45 1l8y h TYR 22 Ca -0.18 -0.25 -0.08 0.00 0.05 0.00 0.00 58.73 58.27 1l8y h TYR 22 Cb 1.92 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 39.48 1l8y h TYR 22 CO 0.00 0.99 -0.40 -0.07 -1.05 0.00 0.00 178.16 177.63 1l8y h LEU 23 N 0.41 0.00 0.13 3.88 3.38 0.75 -3.26 115.31 120.60 1l8y h LEU 23 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1l8y h LEU 23 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1l8y h LEU 23 CO 0.07 0.40 -0.06 0.00 0.09 0.00 0.00 178.44 178.94 1l8y h ALA 24 N 1.60 -0.17 -1.27 1.53 0.00 -1.33 0.27 119.26 119.88 1l8y h ALA 24 Ca -0.00 -0.24 0.46 0.00 0.00 0.00 0.00 54.91 55.13 1l8y h ALA 24 Cb 0.84 0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.55 1l8y h ALA 24 CO 0.05 -0.32 0.78 2.89 0.00 0.00 0.00 179.25 182.66 1l8y n ARG 25 N -4.93 -0.04 -0.05 0.00 1.85 -0.75 -0.56 116.66 112.18 1l8y n ARG 25 Ca -0.08 1.29 0.02 0.00 -1.00 0.00 0.00 57.85 58.08 1l8y n ARG 25 Cb 0.27 -2.47 0.03 0.00 -1.05 0.00 0.00 32.46 29.24 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 -4.87 0.00 -3.67 2.89 7.35 -1.24 -5.02 117.46 112.89 1l8y n PHE 26 Ca 0.40 -0.49 -0.28 0.00 -0.76 0.00 0.00 57.45 56.31 1l8y n PHE 26 Cb 1.49 -0.06 0.03 0.00 0.35 0.00 0.00 39.48 41.28 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 -0.59 -1.16 0.00 -4.13 0.00 0.27 -4.19 118.16 108.36 1l8y n LYS 27 Ca 0.04 0.61 0.00 0.00 0.00 0.00 0.00 58.31 58.95 1l8y n LYS 27 Cb 0.41 -3.74 0.00 0.00 0.00 0.00 0.00 35.03 31.70 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 -2.47 0.00 0.00 3.14 2.85 0.79 -5.01 115.26 114.56 1l8y n ASN 28 Ca -0.13 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.43 1l8y n ASN 28 Cb 0.60 0.00 0.45 0.00 1.24 0.00 0.00 39.78 42.06 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 0.00 0.00 0.00 1.20 2.03 -1.19 -4.32 116.55 114.28 1l8y n ASP 29 Ca 0.00 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1l8y n ASP 29 Cb 0.00 -0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.08 1l8y n ASP 29 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1l8y n ARG 30 N -1.32 0.00 -0.22 -0.67 5.12 -1.26 0.28 116.66 118.59 1l8y n ARG 30 Ca 0.08 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.99 1l8y n ARG 30 Cb 0.16 0.00 0.06 0.00 -1.16 0.00 0.00 32.46 31.51 1l8y n ARG 30 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1l8y h VAL 31 N 0.00 0.31 0.00 1.55 2.07 -1.98 0.35 116.25 118.55 1l8y h VAL 31 Ca 0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 1l8y h VAL 31 Cb 0.00 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1l8y h VAL 31 CO 0.00 0.00 -0.51 0.11 0.02 0.00 0.00 177.57 177.19 1l8y h LYS 32 N -0.03 0.00 -0.75 1.57 6.56 0.37 -3.29 116.57 120.99 1l8y h LYS 32 Ca 0.30 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.84 1l8y h LYS 32 Cb 0.50 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.12 1l8y h LYS 32 CO -0.68 0.39 0.29 0.00 -2.06 0.00 0.00 179.45 177.39 1l8y h ALA 33 N 1.59 0.98 -0.48 3.86 0.00 0.20 0.13 119.26 125.53 1l8y h ALA 33 Ca -0.02 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1l8y h ALA 33 Cb 1.33 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1l8y h ALA 33 CO 0.05 0.62 -0.17 1.25 0.00 0.00 0.00 179.25 181.00 1l8y h LEU 34 N 1.09 0.98 0.16 0.00 6.46 -0.69 -2.38 115.31 120.93 1l8y h LEU 34 Ca 0.25 -0.38 -0.01 0.00 -0.12 0.00 0.00 57.88 57.62 1l8y h LEU 34 Cb 0.23 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 39.90 1l8y h LEU 34 CO -0.02 1.14 -0.08 0.11 -0.62 0.00 0.00 178.44 178.97 1l8y h LYS 35 N 0.81 -0.20 -1.18 1.25 1.79 -1.58 0.84 116.57 118.30 1l8y h LYS 35 Ca 0.12 0.01 0.34 0.00 -2.18 0.00 0.00 60.65 58.94 1l8y h LYS 35 Cb 0.73 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 31.37 1l8y h LYS 35 CO 0.06 0.03 0.83 0.00 -1.08 0.00 0.00 179.45 179.29 1l8y h ALA 36 N -0.81 2.92 0.00 3.86 0.00 -0.87 1.00 119.26 125.37 1l8y h ALA 36 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1l8y h ALA 36 Cb 0.33 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1l8y h ALA 36 CO 0.04 -1.30 -0.06 1.98 0.00 0.00 0.00 179.25 179.91 1l8y h MET 37 N 0.09 0.00 -0.10 0.00 1.85 -1.43 -3.04 114.93 112.30 1l8y h MET 37 Ca 0.59 0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.70 1l8y h MET 37 Cb 2.15 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 34.16 1l8y h MET 37 CO -0.09 0.53 0.00 1.49 -0.40 0.00 0.00 176.91 178.44 1l8y h GLU 38 N -1.00 0.04 0.24 0.39 4.81 0.27 -2.76 114.58 116.56 1l8y h GLU 38 Ca -0.01 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1l8y h GLU 38 Cb 0.56 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1l8y h GLU 38 CO -0.01 0.02 -0.24 0.52 -0.73 0.00 0.00 179.01 178.57 1l8y h MET 39 N 0.04 -0.46 -1.75 1.92 2.86 0.76 -1.78 114.93 116.51 1l8y h MET 39 Ca 0.04 0.03 0.53 0.00 -2.06 0.00 0.00 59.70 58.24 1l8y h MET 39 Cb 0.05 0.11 -0.09 0.00 0.06 0.00 0.00 31.60 31.72 1l8y h MET 39 CO -0.07 -0.31 1.23 1.15 1.06 0.00 0.00 176.91 179.97 1l8y h THR 40 N -0.48 0.05 0.13 2.22 2.02 -1.52 1.35 112.91 116.67 1l8y h THR 40 Ca -0.03 -0.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.88 1l8y h THR 40 Cb 0.42 0.04 0.03 0.00 -1.74 0.00 0.00 68.15 66.89 1l8y h THR 40 CO -0.03 0.00 -1.11 -0.25 0.37 0.00 0.00 175.52 174.51 1l8y h TRP 41 N 0.01 0.86 0.01 3.16 2.91 -1.09 -3.27 115.95 118.54 1l8y h TRP 41 Ca 0.89 -0.56 -0.25 0.00 1.13 0.00 0.00 58.89 60.10 1l8y h TRP 41 Cb 3.39 -0.06 -0.04 0.00 -0.51 0.00 0.00 29.16 31.94 1l8y h TRP 41 CO -0.00 1.41 -1.34 -2.95 -1.03 0.00 0.00 178.44 174.53 1l8y h ASN 42 N 0.06 0.02 0.29 2.65 7.08 0.10 -3.10 115.58 122.68 1l8y h ASN 42 Ca -0.18 -0.03 0.00 0.00 -3.08 0.00 0.00 56.30 53.02 1l8y h ASN 42 Cb 1.82 -0.01 0.00 0.00 -2.08 0.00 0.00 38.32 38.05 1l8y h ASN 42 CO 0.21 1.02 0.00 0.59 -2.08 0.00 0.00 177.43 177.17 1l8y n ASN 43 N -3.22 0.00 -0.23 6.14 3.02 0.40 -1.42 115.26 119.96 1l8y n ASN 43 Ca -0.08 0.34 0.06 0.00 -0.03 0.00 0.00 54.58 54.87 1l8y n ASN 43 Cb 0.99 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 39.74 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 -1.41 2.10 0.00 3.52 1.56 -1.21 -5.03 117.12 116.65 1l8y n MET 44 Ca 0.04 -0.55 0.00 0.00 -0.27 0.00 0.00 57.70 56.91 1l8y n MET 44 Cb 0.11 -1.16 0.00 0.00 2.15 0.00 0.00 33.22 34.32 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 -0.43 0.00 -0.19 2.12 2.13 -0.51 -3.36 120.64 120.40 1l8y n GLU 45 Ca 0.05 0.00 0.30 0.00 0.66 0.00 0.00 57.16 58.17 1l8y n GLU 45 Cb 0.26 0.00 0.64 0.00 0.27 0.00 0.00 31.44 32.60 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 0.24 5.31 3.64 -1.89 -2.39 116.57 121.48 1l8y h LYS 46 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1l8y h LYS 46 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1l8y h LYS 46 CO 0.00 0.00 -0.27 -0.22 -2.27 0.00 0.00 179.45 176.69 1l8y h LYS 47 N 0.00 -0.50 0.37 1.90 1.63 -1.90 -2.79 116.57 115.27 1l8y h LYS 47 Ca 0.46 0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 60.28 1l8y h LYS 47 Cb 2.32 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 34.07 1l8y h LYS 47 CO -0.00 -0.33 -0.18 0.93 -3.45 0.00 0.00 179.45 176.41 1l8y h GLU 48 N -0.52 -0.48 0.00 1.90 3.07 -1.60 -3.27 114.58 113.68 1l8y h GLU 48 Ca -0.03 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1l8y h GLU 48 Cb 0.46 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 1l8y h GLU 48 CO -0.05 -0.32 0.00 1.63 -1.40 0.00 0.00 179.01 178.87 1l8y n LYS 49 N -4.95 0.00 -0.35 2.33 5.02 -1.03 -0.21 118.16 118.97 1l8y n LYS 49 Ca -0.06 0.63 0.30 0.00 -2.02 0.00 0.00 58.31 57.16 1l8y n LYS 49 Cb 0.20 -1.15 0.55 0.00 -0.02 0.00 0.00 35.03 34.61 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 0.39 -0.01 -0.35 -0.00 -1.70 -0.69 115.31 112.95 1l8y h LEU 50 Ca 0.00 0.20 -0.01 0.00 -0.00 0.00 0.00 57.88 58.08 1l8y h LEU 50 Cb 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 40.66 40.84 1l8y h LEU 50 CO 0.00 -0.25 -0.02 0.24 -0.00 0.00 0.00 178.44 178.41 1l8y h MET 51 N 0.16 0.02 -0.52 1.13 2.86 -1.33 -3.18 114.93 114.07 1l8y h MET 51 Ca 0.79 -0.02 0.09 0.00 -2.06 0.00 0.00 59.70 58.50 1l8y h MET 51 Cb 2.07 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 33.63 1l8y h MET 51 CO -0.62 0.61 -0.40 -1.49 1.06 0.00 0.00 176.91 176.07 1l8y h TRP 52 N -0.56 -1.15 -0.53 -0.22 4.06 0.99 -0.27 115.95 118.26 1l8y h TRP 52 Ca -0.00 0.07 0.11 0.00 2.06 0.00 0.00 58.89 61.13 1l8y h TRP 52 Cb 0.61 0.58 -0.10 0.00 -1.00 0.00 0.00 29.16 29.25 1l8y h TRP 52 CO 0.13 -0.41 -0.15 -0.84 -3.56 0.00 0.00 178.44 173.60 1l8y h ILE 53 N -0.24 0.43 0.00 1.49 3.07 -1.60 0.11 117.51 120.77 1l8y h ILE 53 Ca 0.18 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.59 1l8y h ILE 53 Cb 0.56 0.43 -0.00 0.00 -0.27 0.00 0.00 36.82 37.54 1l8y h ILE 53 CO -0.65 0.00 -0.03 0.50 -1.05 0.00 0.00 178.15 176.92 1l8y h LYS 54 N -0.02 0.00 -0.01 0.16 1.63 -1.09 2.06 116.57 119.30 1l8y h LYS 54 Ca 0.26 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.06 1l8y h LYS 54 Cb 0.42 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1l8y h LYS 54 CO -0.56 0.03 0.00 -0.22 -3.45 0.00 0.00 179.45 175.25 1l8y h LYS 55 N 0.00 0.01 0.00 1.90 3.64 0.59 1.53 116.57 124.24 1l8y h LYS 55 Ca -0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1l8y h LYS 55 Cb 0.06 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1l8y h LYS 55 CO 0.00 0.16 -0.60 0.00 -2.27 0.00 0.00 179.45 176.74 1l8y h ALA 56 N 0.85 0.69 0.03 5.00 0.00 -1.19 -2.22 119.26 122.42 1l8y h ALA 56 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 1l8y h ALA 56 Cb 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1l8y h ALA 56 CO -0.00 0.00 -0.97 0.00 0.00 0.00 0.00 179.25 178.27 1l8y h ALA 57 N 2.03 0.39 -0.00 0.00 0.00 0.35 1.51 119.26 123.53 1l8y h ALA 57 Ca 0.00 -0.77 -0.15 0.00 0.00 0.00 0.00 54.91 53.99 1l8y h ALA 57 Cb 0.99 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1l8y h ALA 57 CO 0.00 0.93 -0.71 1.49 0.00 0.00 0.00 179.25 180.96 1l8y h GLU 58 N 0.12 0.02 0.00 0.00 4.57 0.21 -2.71 114.58 116.79 1l8y h GLU 58 Ca -0.07 -0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 57.94 1l8y h GLU 58 Cb 1.64 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.21 1l8y h GLU 58 CO 0.15 0.72 -0.74 -0.44 -1.18 0.00 0.00 179.01 177.52 1l8y h ASP 59 N 0.01 0.00 0.35 1.04 3.32 -1.03 -3.18 116.42 116.93 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 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1l8y h ASP 59 CO 0.09 0.72 0.00 -0.61 -1.72 0.00 0.00 179.24 177.72 1l8y h GLN 60 N 0.00 0.00 -0.90 3.56 -0.00 0.25 -2.45 115.11 115.57 1l8y h GLN 60 Ca -0.01 0.00 0.07 0.00 -0.00 0.00 0.00 58.65 58.71 1l8y h GLN 60 Cb 1.56 0.00 -0.07 0.00 0.00 0.00 0.00 27.48 28.97 1l8y h GLN 60 CO 0.09 0.00 0.56 -0.22 0.00 0.00 0.00 178.83 179.26 1l8y h LYS 61 N 0.00 0.97 0.68 1.69 3.11 -1.56 0.19 116.57 121.65 1l8y h LYS 61 Ca 0.00 -0.06 -0.03 0.00 -2.81 0.00 0.00 60.65 57.75 1l8y h LYS 61 Cb 0.17 -0.22 0.01 0.00 -1.00 0.00 0.00 32.23 31.19 1l8y h LYS 61 CO 0.00 0.64 -0.33 0.00 -2.81 0.00 0.00 179.45 176.95 1l8y h ARG 62 N 1.00 -0.88 -0.29 1.90 2.47 -1.67 0.82 114.38 117.72 1l8y h ARG 62 Ca 0.40 0.06 0.08 0.00 -1.26 0.00 0.00 59.98 59.26 1l8y h ARG 62 Cb 0.21 0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.72 1l8y h ARG 62 CO -0.19 -0.59 0.27 1.88 0.56 0.00 0.00 179.97 181.90 1l8y h TYR 63 N -1.03 0.00 0.00 3.04 0.05 -1.64 0.22 116.97 117.61 1l8y h TYR 63 Ca -0.09 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.56 1l8y h TYR 63 Cb 0.70 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.42 1l8y h TYR 63 CO 0.04 0.00 -0.99 1.49 -1.05 0.00 0.00 178.16 177.66 1l8y h GLU 64 N 0.00 0.00 0.00 4.88 4.81 -0.37 -3.25 114.58 120.64 1l8y h GLU 64 Ca 0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1l8y h GLU 64 Cb 0.67 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1l8y h GLU 64 CO -0.00 0.34 0.00 -2.13 -0.73 0.00 0.00 179.01 176.48 1l8y n ARG 65 N -3.00 0.22 -0.03 1.92 3.00 0.28 -2.41 116.66 116.64 1l8y n ARG 65 Ca -0.04 0.25 -0.15 0.00 -0.00 0.00 0.00 57.85 57.92 1l8y n ARG 65 Cb 0.76 -1.79 -0.11 0.00 0.00 0.00 0.00 32.46 31.32 1l8y n ARG 65 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1l8y h GLU 66 N 0.00 0.13 0.00 -0.14 3.07 -1.39 -3.23 114.58 113.03 1l8y h GLU 66 Ca 0.00 -0.14 0.00 0.00 -0.50 0.00 0.00 59.36 58.72 1l8y h GLU 66 Cb 0.61 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 1l8y h GLU 66 CO 0.00 0.89 -0.16 1.37 -1.40 0.00 0.00 179.01 179.71 1l8y h LEU 67 N -0.56 0.00 -1.39 1.33 -0.00 -1.69 -3.36 115.31 109.64 1l8y h LEU 67 Ca -0.02 0.00 0.16 0.00 -0.00 0.00 0.00 57.88 58.01 1l8y h LEU 67 Cb 0.95 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.59 1l8y h LEU 67 CO 0.04 0.48 0.79 -1.28 -0.00 0.00 0.00 178.44 178.47 1l8y h SER 68 N -0.80 0.00 -1.00 0.17 0.87 -1.70 0.08 113.55 111.17 1l8y h SER 68 Ca 0.00 0.00 0.29 0.00 -1.23 0.00 0.00 61.79 60.85 1l8y h SER 68 Cb 0.16 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.08 1l8y h SER 68 CO 0.00 0.00 0.81 1.05 -0.53 0.00 0.00 176.83 178.16 1l8y h GLU 69 N 0.00 0.00 0.04 2.24 4.11 -1.70 0.20 114.58 119.48 1l8y h GLU 69 Ca 0.26 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.41 1l8y h GLU 69 Cb 1.84 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.06 1l8y h GLU 69 CO -0.00 0.00 -1.50 0.52 0.07 0.00 0.00 179.01 178.10 1l8y h MET 70 N 0.00 0.09 -1.12 1.06 2.86 -1.26 -3.38 114.93 113.19 1l8y h MET 70 Ca 0.48 -0.16 -0.34 0.00 -2.06 0.00 0.00 59.70 57.61 1l8y h MET 70 Cb 2.09 0.06 -0.18 0.00 0.06 0.00 0.00 31.60 33.62 1l8y h MET 70 CO -0.01 1.08 0.43 -2.13 1.06 0.00 0.00 176.91 177.35 1l8y n ARG 71 N -4.12 1.83 -2.70 1.72 3.00 -0.38 -4.22 116.66 111.79 1l8y n ARG 71 Ca -0.32 -1.85 -0.07 0.00 -0.00 0.00 0.00 57.85 55.61 1l8y n ARG 71 Cb 0.81 -1.73 0.11 0.00 0.00 0.00 0.00 32.46 31.65 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 -0.33 0.92 -0.08 5.13 0.00 0.58 -4.86 120.51 121.86 1l8y n ALA 72 Ca 0.36 -1.22 -0.08 0.00 0.00 0.00 0.00 53.44 52.51 1l8y n ALA 72 Cb 1.03 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 1.94 0.22 -1.25 0.00 0.11 -1.76 -2.43 132.00 128.83 1l8y h PRO 73 Ca -0.30 -0.01 -0.43 0.00 0.11 0.00 0.00 66.00 65.36 1l8y h PRO 73 Cb 1.29 -0.05 -0.20 0.00 0.11 0.00 0.00 31.00 32.16 1l8y h PRO 73 CO -0.08 0.14 0.55 -0.35 -0.21 0.00 0.00 178.00 178.06 1l8y n PRO 74 N -5.03 2.06 -2.21 1.05 -0.04 -1.26 -4.50 135.00 125.07 1l8y n PRO 74 Ca -0.01 -2.16 -0.29 0.00 -0.04 0.00 0.00 63.50 61.00 1l8y n PRO 74 Cb 0.10 -1.85 0.02 0.00 -0.04 0.00 0.00 33.50 31.73 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 -0.25 5.40 -2.21 0.55 0.00 -0.92 -4.21 120.51 118.87 1l8y n ALA 75 Ca 0.42 -4.12 0.01 0.00 0.00 0.00 0.00 53.44 49.75 1l8y n ALA 75 Cb 0.78 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.57 2.27 0.00 0.00 0.00 -1.26 -4.93 120.51 116.02 1l8y n ALA 76 Ca 0.44 -1.48 0.00 0.00 0.00 0.00 0.00 53.44 52.41 1l8y n ALA 76 Cb 0.65 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1l8y n ALA 76 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1l8y n THR 77 N 0.21 0.00 -1.40 0.00 5.66 -1.26 -4.98 114.28 112.50 1l8y n THR 77 Ca 0.01 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.72 1l8y n THR 77 Cb 0.88 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.67 1l8y n THR 77 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1l8y n ASN 78 N 0.00 6.97 -1.23 1.09 2.85 -1.26 -4.03 115.26 119.65 1l8y n ASN 78 Ca 0.00 -3.43 -0.04 0.00 -0.11 0.00 0.00 54.58 50.99 1l8y n ASN 78 Cb 0.00 -1.10 -0.04 0.00 1.24 0.00 0.00 39.78 39.88 1l8y n ASN 78 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1l8y n SER 79 N 0.06 -0.59 0.00 1.20 2.88 -1.26 -4.88 113.62 111.03 1l8y n SER 79 Ca 0.48 -2.01 0.00 0.00 -1.33 0.00 0.00 58.87 56.01 1l8y n SER 79 Cb 0.51 0.19 0.00 0.00 -0.75 0.00 0.00 64.21 64.16 1l8y n SER 79 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1l8y n SER 80 N -0.00 0.00 -1.39 -3.46 3.41 -1.26 -5.00 113.62 105.92 1l8y n SER 80 Ca -0.20 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.60 1l8y n SER 80 Cb 0.80 0.16 -0.05 0.00 -0.26 0.00 0.00 64.21 64.86 1l8y n SER 80 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1l8y n LYS 81 N -2.02 -2.84 -2.09 4.33 5.02 -1.26 -4.81 118.16 114.49 1l8y n LYS 81 Ca 0.00 1.94 -0.17 0.00 -2.02 0.00 0.00 58.31 58.06 1l8y n LYS 81 Cb 0.00 -3.45 -0.03 0.00 -0.02 0.00 0.00 35.03 31.53 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 -4.11 -1.75 -2.08 1.97 5.02 -1.26 -4.20 118.16 111.75 1l8y n LYS 82 Ca -0.00 0.86 0.00 0.00 -2.02 0.00 0.00 58.31 57.15 1l8y n LYS 82 Cb 0.66 -5.38 0.00 0.00 -0.02 0.00 0.00 35.03 30.29 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 -2.62 -6.01 0.00 -0.35 0.00 -1.26 -5.32 117.00 101.43 1l8y n LEU 83 Ca -0.19 2.89 0.00 0.00 0.00 0.00 0.00 56.01 58.71 1l8y n LEU 83 Cb 0.61 -3.04 0.00 0.00 0.00 0.00 0.00 43.42 40.99 1l8y n LEU 83 CO 0.24 -2.08 0.00 -0.62 0.00 0.00 0.00 177.39 174.93