#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pp8 n PHE 10 N 0.00 0.00 0.52 1.43 3.01 -1.26 -4.39 117.46 116.77 1pp8 n PHE 10 Ca 0.00 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.57 1pp8 n PHE 10 Cb 0.00 -0.47 0.44 0.00 -0.01 0.00 0.00 39.48 39.44 1pp8 n PHE 10 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1pp8 n THR 11 N -3.54 0.77 0.77 4.37 -2.24 -1.26 -2.05 114.28 111.09 1pp8 n THR 11 Ca -0.26 0.14 0.13 0.00 -2.27 0.00 0.00 64.05 61.79 1pp8 n THR 11 Cb 0.69 -0.97 0.50 0.00 -2.10 0.00 0.00 70.33 68.45 1pp8 n THR 11 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1pp8 n SER 12 N -1.94 0.30 -0.52 3.42 3.41 -1.26 -2.98 113.62 114.04 1pp8 n SER 12 Ca 0.03 0.54 0.06 0.00 -0.26 0.00 0.00 58.87 59.24 1pp8 n SER 12 Cb 0.25 -0.62 0.09 0.00 -0.26 0.00 0.00 64.21 63.67 1pp8 n SER 12 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pp8 n ARG 13 N -1.79 1.53 -3.85 4.33 1.74 -0.87 -4.96 116.66 112.78 1pp8 n ARG 13 Ca 0.06 -1.54 -0.33 0.00 -0.77 0.00 0.00 57.85 55.27 1pp8 n ARG 13 Cb 0.34 -1.23 -0.05 0.00 -1.02 0.00 0.00 32.46 30.49 1pp8 n ARG 13 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1pp8 s LEU 14 N -0.95 4.36 0.53 0.55 2.01 -1.16 -5.06 118.68 118.95 1pp8 s LEU 14 Ca 0.17 0.40 -0.22 0.00 0.01 0.00 0.00 54.13 54.49 1pp8 s LEU 14 Cb 0.10 -2.79 -0.05 0.00 0.01 0.00 0.00 46.19 43.46 1pp8 s LEU 14 CO 0.15 0.22 1.35 -2.84 1.01 0.00 0.00 176.35 176.23 1pp8 s PRO 15 N -2.11 3.27 0.14 1.29 0.02 -1.26 -4.71 135.00 131.63 1pp8 s PRO 15 Ca 0.31 2.21 -0.31 0.00 0.02 0.00 0.00 61.00 63.23 1pp8 s PRO 15 Cb -0.13 -2.32 -0.07 0.00 0.02 0.00 0.00 34.50 32.01 1pp8 s PRO 15 CO 0.21 -1.08 1.56 -1.35 -0.33 0.00 0.00 177.00 176.01 1pp8 h PRO 16 N 1.62 -0.36 -0.05 5.54 0.11 -1.97 -0.32 132.00 136.57 1pp8 h PRO 16 Ca -0.51 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1pp8 h PRO 16 Cb 1.29 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.48 1pp8 h PRO 16 CO 0.58 -0.24 -0.03 0.39 -0.21 0.00 0.00 178.00 178.49 1pp8 n GLU 17 N -5.39 -0.02 -0.34 1.05 4.71 -1.26 -0.34 120.64 119.05 1pp8 n GLU 17 Ca -0.02 0.98 0.18 0.00 -0.01 0.00 0.00 57.16 58.29 1pp8 n GLU 17 Cb 0.35 -1.47 0.41 0.00 -1.01 0.00 0.00 31.44 29.71 1pp8 n GLU 17 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1pp8 h ILE 18 N 0.00 0.58 -0.63 -3.67 2.04 -1.75 0.27 117.51 114.34 1pp8 h ILE 18 Ca 0.01 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.68 1pp8 h ILE 18 Cb 0.02 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.03 1pp8 h ILE 18 CO -0.05 0.10 0.42 1.62 0.00 0.00 0.00 178.15 180.25 1pp8 h VAL 19 N 0.57 1.16 0.14 1.67 3.04 0.11 -2.76 116.25 120.18 1pp8 h VAL 19 Ca 0.61 -0.29 -0.01 0.00 -1.01 0.00 0.00 66.70 66.00 1pp8 h VAL 19 Cb 1.21 0.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 1pp8 h VAL 19 CO -0.39 0.16 -0.07 0.00 -1.01 0.00 0.00 177.57 176.26 1pp8 h ALA 20 N 1.61 -0.19 -0.13 3.17 0.00 0.67 -2.77 119.26 121.62 1pp8 h ALA 20 Ca 0.23 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1pp8 h ALA 20 Cb -0.09 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1pp8 h ALA 20 CO -0.05 -0.30 1.00 0.00 0.00 0.00 0.00 179.25 179.90 1pp8 n ALA 21 N -2.52 0.12 -1.18 0.00 0.00 -0.25 -0.43 120.51 116.26 1pp8 n ALA 21 Ca -0.08 0.04 -0.24 0.00 0.00 0.00 0.00 53.44 53.17 1pp8 n ALA 21 Cb 0.27 -0.07 0.02 0.00 0.00 0.00 0.00 19.45 19.67 1pp8 n ALA 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pp8 n LEU 22 N -2.54 6.73 -0.44 0.00 4.77 -1.05 -4.98 117.00 119.49 1pp8 n LEU 22 Ca 0.03 -3.75 0.06 0.00 -0.03 0.00 0.00 56.01 52.33 1pp8 n LEU 22 Cb 1.04 -1.09 0.11 0.00 -2.33 0.00 0.00 43.42 41.15 1pp8 n LEU 22 CO 0.03 1.43 0.40 0.29 -1.33 0.00 0.00 177.39 178.21 1pp8 n LYS 23 N 0.24 0.93 -1.79 3.23 4.01 0.42 -4.85 118.16 120.36 1pp8 n LYS 23 Ca 0.42 -2.34 0.00 0.00 -0.51 0.00 0.00 58.31 55.88 1pp8 n LYS 23 Cb 0.57 -1.15 0.00 0.00 -0.51 0.00 0.00 35.03 33.94 1pp8 n LYS 23 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1pp8 n ARG 33 N -0.85 0.00 0.06 1.97 0.63 -1.26 -5.17 116.66 112.04 1pp8 n ARG 33 Ca 0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 1pp8 n ARG 33 Cb 0.72 -1.79 0.00 0.00 0.45 0.00 0.00 32.46 31.84 1pp8 n ARG 33 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1pp8 n PHE 34 N -1.79 -0.86 0.11 -0.14 -0.00 -1.26 -4.53 117.46 108.98 1pp8 n PHE 34 Ca 0.00 0.15 0.19 0.00 -0.00 0.00 0.00 57.45 57.80 1pp8 n PHE 34 Cb 0.36 0.38 0.68 0.00 -0.00 0.00 0.00 39.48 40.90 1pp8 n PHE 34 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 1pp8 h PRO 35 N 0.00 0.00 0.06 -7.13 0.11 -1.98 1.39 132.00 124.45 1pp8 h PRO 35 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1pp8 h PRO 35 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1pp8 h PRO 35 CO 0.00 0.00 -0.03 0.07 -0.21 0.00 0.00 178.00 177.83 1pp8 h ARG 36 N 0.00 -0.07 0.03 1.05 0.11 -1.87 -2.43 114.38 111.20 1pp8 h ARG 36 Ca 0.19 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.27 1pp8 h ARG 36 Cb 1.31 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.40 1pp8 h ARG 36 CO -0.00 0.53 -0.07 0.87 0.10 0.00 0.00 179.97 181.40 1pp8 h LYS 37 N -0.81 -0.11 -0.98 0.08 1.57 0.15 0.49 116.57 116.95 1pp8 h LYS 37 Ca -0.01 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.93 1pp8 h LYS 37 Cb 0.64 0.03 -0.16 0.00 0.08 0.00 0.00 32.23 32.82 1pp8 h LYS 37 CO 0.01 -0.07 -0.38 -0.11 -0.57 0.00 0.00 179.45 178.33 1pp8 n LEU 38 N -2.81 -0.62 -0.15 2.94 -0.00 0.47 0.16 117.00 116.99 1pp8 n LEU 38 Ca -0.01 1.71 -0.05 0.00 -0.00 0.00 0.00 56.01 57.66 1pp8 n LEU 38 Cb 0.06 -0.40 0.04 0.00 -0.00 0.00 0.00 43.42 43.12 1pp8 n LEU 38 CO 0.03 -1.54 0.99 -0.74 -0.00 0.00 0.00 177.39 176.12 1pp8 h HIS 39 N 0.00 0.37 -0.36 1.96 2.76 -1.01 0.60 115.15 119.46 1pp8 h HIS 39 Ca 0.35 0.02 0.11 0.00 -2.20 0.00 0.00 60.37 58.64 1pp8 h HIS 39 Cb 0.59 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 1pp8 h HIS 39 CO -0.85 0.16 0.34 1.98 -1.30 0.00 0.00 177.93 178.26 1pp8 h MET 40 N 0.40 0.00 0.05 5.26 1.85 0.65 0.37 114.93 123.51 1pp8 h MET 40 Ca 0.21 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.30 1pp8 h MET 40 Cb 0.16 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.19 1pp8 h MET 40 CO -0.18 0.00 -0.02 -0.07 -0.40 0.00 0.00 176.91 176.24 1pp8 h LEU 41 N 0.00 -0.05 -0.35 3.39 3.38 0.82 -2.95 115.31 119.54 1pp8 h LEU 41 Ca 0.17 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.19 1pp8 h LEU 41 Cb 0.85 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 1pp8 h LEU 41 CO -0.00 0.14 -0.15 -0.11 0.09 0.00 0.00 178.44 178.41 1pp8 n LEU 42 N -3.16 -0.25 0.03 1.67 -0.00 -0.03 0.11 117.00 115.37 1pp8 n LEU 42 Ca -0.01 0.62 -0.10 0.00 -0.00 0.00 0.00 56.01 56.52 1pp8 n LEU 42 Cb 0.03 -0.13 -0.04 0.00 -0.00 0.00 0.00 43.42 43.27 1pp8 n LEU 42 CO 0.02 -0.55 0.78 0.74 -0.00 0.00 0.00 177.39 178.38 1pp8 h THR 43 N 0.00 0.68 -0.32 1.96 2.02 -0.41 -2.83 112.91 114.00 1pp8 h THR 43 Ca 0.11 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.26 1pp8 h THR 43 Cb 0.20 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1pp8 h THR 43 CO -0.35 0.00 0.07 0.22 0.37 0.00 0.00 175.52 175.84 1pp8 h TYR 44 N -0.18 0.55 0.00 3.16 5.03 0.10 -2.68 116.97 122.95 1pp8 h TYR 44 Ca 0.06 -0.07 -0.00 0.00 2.58 0.00 0.00 58.73 61.30 1pp8 h TYR 44 Cb 0.27 -0.15 -0.00 0.00 1.55 0.00 0.00 36.73 38.39 1pp8 h TYR 44 CO -0.21 0.57 -0.00 -0.07 -1.32 0.00 0.00 178.16 177.13 1pp8 h LEU 45 N 0.36 0.00 -1.24 2.82 4.07 -1.09 -2.43 115.31 117.81 1pp8 h LEU 45 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1pp8 h LEU 45 Cb 0.30 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.04 1pp8 h LEU 45 CO 0.00 0.00 0.02 0.00 -1.08 0.00 0.00 178.44 177.38 1pp8 n ALA 46 N -2.09 1.01 -1.50 1.53 0.00 -1.01 -1.09 120.51 117.36 1pp8 n ALA 46 Ca -0.01 0.17 -0.04 0.00 0.00 0.00 0.00 53.44 53.56 1pp8 n ALA 46 Cb 0.17 -1.25 0.19 0.00 0.00 0.00 0.00 19.45 18.57 1pp8 n ALA 46 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1pp8 n SER 47 N -2.15 2.50 -2.97 0.00 3.41 -0.91 -4.63 113.62 108.86 1pp8 n SER 47 Ca -0.01 -3.82 -0.15 0.00 -0.26 0.00 0.00 58.87 54.64 1pp8 n SER 47 Cb 0.05 -0.62 0.01 0.00 -0.26 0.00 0.00 64.21 63.39 1pp8 n SER 47 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1pp8 n ASN 48 N -1.11 -0.93 -0.45 4.04 4.05 -0.25 -5.04 115.26 115.56 1pp8 n ASN 48 Ca 0.32 -3.22 0.34 0.00 0.45 0.00 0.00 54.58 52.48 1pp8 n ASN 48 Cb 0.99 0.60 0.53 0.00 1.23 0.00 0.00 39.78 43.12 1pp8 n ASN 48 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 1pp8 n PRO 49 N 0.76 0.00 -0.05 1.20 -0.02 -1.26 -1.13 135.00 134.50 1pp8 n PRO 49 Ca 0.16 0.71 -0.02 0.00 -2.02 0.00 0.00 63.50 62.33 1pp8 n PRO 49 Cb 0.64 -1.66 -0.01 0.00 -0.02 0.00 0.00 33.50 32.46 1pp8 n PRO 49 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1pp8 h GLN 50 N 0.00 0.00 -0.98 -0.52 1.08 -1.96 -3.35 115.11 109.38 1pp8 h GLN 50 Ca 0.60 0.00 0.28 0.00 -1.45 0.00 0.00 58.65 58.09 1pp8 h GLN 50 Cb 2.47 0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 29.72 1pp8 h GLN 50 CO -0.01 0.00 0.10 1.25 -0.95 0.00 0.00 178.83 179.22 1pp8 h LEU 51 N -0.81 -0.36 0.00 1.46 6.46 -1.73 1.75 115.31 122.08 1pp8 h LEU 51 Ca 0.00 0.27 0.00 0.00 -0.12 0.00 0.00 57.88 58.03 1pp8 h LEU 51 Cb 0.26 0.45 0.00 0.00 -0.73 0.00 0.00 40.66 40.64 1pp8 h LEU 51 CO 0.00 -0.35 0.13 1.21 -0.62 0.00 0.00 178.44 178.81 1pp8 n GLU 52 N -5.44 0.00 0.00 1.25 2.13 -0.28 -0.97 120.64 117.32 1pp8 n GLU 52 Ca 0.25 0.33 0.00 0.00 0.66 0.00 0.00 57.16 58.40 1pp8 n GLU 52 Cb 0.81 -1.63 0.00 0.00 0.27 0.00 0.00 31.44 30.89 1pp8 n GLU 52 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1pp8 n GLU 53 N -1.32 0.86 -0.08 5.31 1.02 0.59 -3.09 120.64 123.92 1pp8 n GLU 53 Ca 0.00 -0.13 -0.14 0.00 -0.02 0.00 0.00 57.16 56.86 1pp8 n GLU 53 Cb 0.13 -0.53 -0.09 0.00 -0.02 0.00 0.00 31.44 30.93 1pp8 n GLU 53 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1pp8 h GLU 54 N 0.00 0.00 0.35 3.49 5.08 -0.12 -3.33 114.58 120.05 1pp8 h GLU 54 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1pp8 h GLU 54 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1pp8 h GLU 54 CO 0.00 0.75 -0.17 0.82 -1.00 0.00 0.00 179.01 179.41 1pp8 h ILE 55 N -1.00 0.65 -0.52 3.13 2.04 -1.47 -3.49 117.51 116.84 1pp8 h ILE 55 Ca -0.14 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1pp8 h ILE 55 Cb 0.93 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1pp8 h ILE 55 CO -0.08 0.08 0.00 0.61 0.00 0.00 0.00 178.15 178.76 1pp8 n GLY 56 N -0.60 -0.21 0.00 5.37 0.00 -1.21 -4.51 105.19 104.04 1pp8 n GLY 56 Ca -0.10 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1pp8 n GLY 56 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1pp8 n LEU 57 N 0.00 0.00 -3.54 0.99 0.00 -1.18 -3.19 117.00 110.08 1pp8 n LEU 57 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 56.01 55.91 1pp8 n LEU 57 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.38 1pp8 n LEU 57 CO 0.00 0.00 0.73 -0.94 0.00 0.00 0.00 177.39 177.18 1pp8 s SER 58 N 0.00 -0.37 0.50 1.96 1.04 -0.52 -4.79 113.70 111.50 1pp8 s SER 58 Ca 0.00 0.22 -0.23 0.00 0.48 0.00 0.00 55.95 56.43 1pp8 s SER 58 Cb 0.00 0.35 -0.06 0.00 0.10 0.00 0.00 66.02 66.40 1pp8 s SER 58 CO 0.00 -0.48 1.28 0.26 0.98 0.00 0.00 173.24 175.28 1pp8 s TRP 59 N -2.07 2.57 -0.25 5.02 0.52 -1.26 -0.71 118.94 122.76 1pp8 s TRP 59 Ca 0.01 1.44 -0.17 0.00 0.02 0.00 0.00 56.10 57.40 1pp8 s TRP 59 Cb -0.01 -3.63 -0.15 0.00 -1.15 0.00 0.00 33.47 28.53 1pp8 s TRP 59 CO -0.03 -2.29 -0.12 -0.89 0.02 0.00 0.00 176.95 173.64 1pp8 n ILE 60 N -0.68 1.53 0.04 2.03 -0.00 -0.52 -4.82 119.36 116.94 1pp8 n ILE 60 Ca 0.08 -0.25 0.00 0.00 -0.00 0.00 0.00 62.75 62.59 1pp8 n ILE 60 Cb 0.46 -1.94 0.00 0.00 -0.00 0.00 0.00 39.64 38.16 1pp8 n ILE 60 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 1pp8 n SER 61 N -4.31 0.70 0.00 4.38 3.41 -1.20 -5.06 113.62 111.55 1pp8 n SER 61 Ca -0.45 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.27 1pp8 n SER 61 Cb 0.81 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1pp8 n SER 61 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1pp8 n ASP 62 N -3.20 0.00 0.02 4.04 -0.08 -1.26 -4.93 116.55 111.15 1pp8 n ASP 62 Ca 0.00 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 53.07 1pp8 n ASP 62 Cb 0.00 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.32 1pp8 n ASP 62 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1pp8 h THR 63 N 0.00 1.19 -2.37 5.18 1.35 -1.97 -2.46 112.91 113.83 1pp8 h THR 63 Ca 0.00 -2.44 -0.54 0.00 -0.55 0.00 0.00 66.41 62.87 1pp8 h THR 63 Cb 0.00 2.87 -0.07 0.00 -1.73 0.00 0.00 68.15 69.22 1pp8 h THR 63 CO 0.00 0.70 -0.58 -1.83 -0.25 0.00 0.00 175.52 173.56 1pp8 s GLU 64 N -2.46 2.70 0.17 4.72 -1.05 -1.26 -4.53 118.70 116.99 1pp8 s GLU 64 Ca -0.18 -1.12 -0.04 0.00 -0.15 0.00 0.00 54.97 53.48 1pp8 s GLU 64 Cb 0.03 -2.45 -0.03 0.00 -0.44 0.00 0.00 34.13 31.24 1pp8 s GLU 64 CO 0.79 0.41 0.18 -0.59 0.95 0.00 0.00 175.26 177.00 1pp8 s PHE 65 N -2.06 0.75 0.11 4.83 -0.00 -0.86 -1.44 117.98 119.31 1pp8 s PHE 65 Ca 0.31 -1.08 0.06 0.00 -0.00 0.00 0.00 56.93 56.22 1pp8 s PHE 65 Cb -0.08 -0.31 -0.04 0.00 -0.00 0.00 0.00 43.02 42.59 1pp8 s PHE 65 CO 0.23 -0.66 -0.16 -1.59 -0.00 0.00 0.00 175.22 173.04 1pp8 s LYS 66 N -4.05 1.02 0.22 1.99 0.00 0.11 -0.73 119.74 118.30 1pp8 s LYS 66 Ca 0.26 -1.18 -0.16 0.00 0.00 0.00 0.00 55.97 54.89 1pp8 s LYS 66 Cb 0.05 -1.02 0.02 0.00 0.00 0.00 0.00 37.83 36.87 1pp8 s LYS 66 CO 0.05 0.21 0.51 0.00 0.00 0.00 0.00 175.35 176.12 1pp8 s MET 67 N -2.32 1.45 -0.63 1.78 0.23 -1.10 -1.44 119.30 117.27 1pp8 s MET 67 Ca 0.07 -1.01 -0.02 0.00 -1.03 0.00 0.00 55.69 53.70 1pp8 s MET 67 Cb -0.07 0.51 0.16 0.00 -1.53 0.00 0.00 34.83 33.89 1pp8 s MET 67 CO 0.03 -0.61 0.43 0.15 -2.03 0.00 0.00 175.02 172.99 1pp8 s LYS 68 N -3.92 2.53 0.15 3.16 1.02 -1.19 -0.97 119.74 120.52 1pp8 s LYS 68 Ca 0.14 -2.58 -0.26 0.00 0.02 0.00 0.00 55.97 53.29 1pp8 s LYS 68 Cb -0.01 -3.69 -0.02 0.00 -0.52 0.00 0.00 37.83 33.59 1pp8 s LYS 68 CO 0.02 -1.17 1.37 1.63 -0.92 0.00 0.00 175.35 176.28 1pp8 n LYS 69 N 3.38 -0.36 -0.30 1.68 5.02 -1.26 -1.07 118.16 125.25 1pp8 n LYS 69 Ca 0.08 1.35 -0.02 0.00 -2.02 0.00 0.00 58.31 57.70 1pp8 n LYS 69 Cb 0.37 -1.98 0.04 0.00 -0.02 0.00 0.00 35.03 33.44 1pp8 n LYS 69 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1pp8 h LYS 70 N 0.00 -0.06 -0.28 1.97 6.56 -1.95 1.81 116.57 124.62 1pp8 h LYS 70 Ca 0.17 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.67 1pp8 h LYS 70 Cb 0.39 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.06 1pp8 h LYS 70 CO -0.84 -0.04 -0.19 -0.91 -2.06 0.00 0.00 179.45 175.40 1pp8 h ASN 71 N -0.07 0.66 -0.35 0.86 2.35 -1.54 0.21 115.58 117.70 1pp8 h ASN 71 Ca 0.31 -0.44 0.04 0.00 -0.55 0.00 0.00 56.30 55.67 1pp8 h ASN 71 Cb 0.58 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 1pp8 h ASN 71 CO -0.85 0.96 0.24 0.58 -1.65 0.00 0.00 177.43 176.71 1pp8 h VAL 72 N 0.37 0.98 0.33 2.81 2.07 0.14 0.80 116.25 123.76 1pp8 h VAL 72 Ca 0.06 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1pp8 h VAL 72 Cb 0.73 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1pp8 h VAL 72 CO 0.05 0.06 -0.16 0.00 0.02 0.00 0.00 177.57 177.54 1pp8 h ALA 73 N 1.80 -0.59 -0.87 1.67 0.00 0.29 -2.43 119.26 119.14 1pp8 h ALA 73 Ca 0.15 -0.10 0.14 0.00 0.00 0.00 0.00 54.91 55.11 1pp8 h ALA 73 Cb 0.22 0.17 -0.15 0.00 0.00 0.00 0.00 17.79 18.03 1pp8 h ALA 73 CO -0.03 -0.56 -0.36 1.25 0.00 0.00 0.00 179.25 179.56 1pp8 h LEU 74 N -0.80 -1.29 -0.27 0.00 6.46 0.46 0.44 115.31 120.30 1pp8 h LEU 74 Ca -0.04 0.28 0.06 0.00 -0.12 0.00 0.00 57.88 58.06 1pp8 h LEU 74 Cb 0.34 0.68 -0.07 0.00 -0.73 0.00 0.00 40.66 40.88 1pp8 h LEU 74 CO 0.07 -0.29 -0.17 0.58 -0.62 0.00 0.00 178.44 178.01 1pp8 h VAL 75 N -0.05 0.52 -0.31 1.05 2.07 0.51 -0.51 116.25 119.54 1pp8 h VAL 75 Ca 0.32 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.93 1pp8 h VAL 75 Cb 0.59 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1pp8 h VAL 75 CO -0.89 0.00 0.35 -0.03 0.02 0.00 0.00 177.57 177.01 1pp8 h MET 76 N -0.14 0.00 0.00 1.57 4.05 0.35 -3.45 114.93 117.30 1pp8 h MET 76 Ca 0.15 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.57 1pp8 h MET 76 Cb 0.36 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.16 1pp8 h MET 76 CO -0.36 0.00 0.00 0.41 0.23 0.00 0.00 176.91 177.19 1pp8 n GLY 77 N -1.45 0.73 3.43 1.39 0.00 -0.20 -4.87 105.19 104.22 1pp8 n GLY 77 Ca 0.05 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 1pp8 n GLY 77 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1pp8 s ILE 78 N -2.00 1.95 0.53 -0.61 -4.36 -1.18 -5.04 121.20 110.50 1pp8 s ILE 78 Ca 0.00 -2.23 -0.20 0.00 -0.26 0.00 0.00 60.65 57.96 1pp8 s ILE 78 Cb 0.00 -2.31 -0.08 0.00 1.25 0.00 0.00 42.46 41.31 1pp8 s ILE 78 CO 0.00 -0.40 0.72 2.29 0.24 0.00 0.00 174.94 177.78 1pp8 n LYS 79 N -0.56 0.75 0.00 0.37 0.00 -1.26 -4.14 118.16 113.33 1pp8 n LYS 79 Ca -0.06 0.28 0.00 0.00 -0.00 0.00 0.00 58.31 58.53 1pp8 n LYS 79 Cb 0.62 -1.85 0.00 0.00 -0.00 0.00 0.00 35.03 33.80 1pp8 n LYS 79 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1pp8 n LEU 80 N 0.28 0.33 -0.05 -5.58 0.00 -1.26 -3.13 117.00 107.58 1pp8 n LEU 80 Ca 0.12 0.32 -0.01 0.00 0.00 0.00 0.00 56.01 56.43 1pp8 n LEU 80 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.86 1pp8 n LEU 80 CO 0.52 0.00 0.07 -3.20 0.00 0.00 0.00 177.39 174.78 1pp8 n ASN 81 N -0.37 -0.13 -0.23 1.96 4.05 -1.26 0.14 115.26 119.42 1pp8 n ASN 81 Ca 0.00 0.24 -0.06 0.00 0.45 0.00 0.00 54.58 55.21 1pp8 n ASN 81 Cb 0.00 -0.04 -0.01 0.00 1.23 0.00 0.00 39.78 40.96 1pp8 n ASN 81 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1pp8 h THR 82 N 0.00 0.11 -0.29 -0.44 1.35 -1.96 2.65 112.91 114.33 1pp8 h THR 82 Ca 0.02 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.94 1pp8 h THR 82 Cb 0.05 0.11 -0.05 0.00 -1.73 0.00 0.00 68.15 66.53 1pp8 h THR 82 CO -0.11 0.00 -0.05 0.25 -0.25 0.00 0.00 175.52 175.36 1pp8 h LEU 83 N -0.16 -0.22 -2.37 3.87 7.12 0.13 0.60 115.31 124.27 1pp8 h LEU 83 Ca 0.22 0.08 0.00 0.00 0.13 0.00 0.00 57.88 58.32 1pp8 h LEU 83 Cb 0.56 0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.85 1pp8 h LEU 83 CO -0.73 -0.08 0.00 -1.13 -0.13 0.00 0.00 178.44 176.38 1pp8 h ASN 84 N 0.03 0.00 0.00 1.25 -0.73 0.34 -2.51 115.58 113.96 1pp8 h ASN 84 Ca 0.14 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.27 1pp8 h ASN 84 Cb 0.21 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.79 1pp8 h ASN 84 CO -0.28 0.00 -0.62 1.62 -0.37 0.00 0.00 177.43 177.77 1pp8 h VAL 85 N 0.00 0.18 0.00 2.57 3.04 0.79 -3.35 116.25 119.48 1pp8 h VAL 85 Ca 0.00 -1.22 0.00 0.00 -1.01 0.00 0.00 66.70 64.47 1pp8 h VAL 85 Cb 0.00 0.43 0.00 0.00 -2.01 0.00 0.00 31.29 29.71 1pp8 h VAL 85 CO 0.00 0.06 0.77 0.59 -1.01 0.00 0.00 177.57 177.98 1pp8 n ASN 86 N -4.59 0.00 0.02 3.17 3.02 0.17 -1.48 115.26 115.56 1pp8 n ASN 86 Ca -0.11 0.30 -0.01 0.00 -0.03 0.00 0.00 54.58 54.73 1pp8 n ASN 86 Cb 0.33 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.50 1pp8 n ASN 86 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1pp8 h LEU 87 N 0.00 -0.05 -1.22 3.41 4.07 -1.64 -3.16 115.31 116.72 1pp8 h LEU 87 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 1pp8 h LEU 87 Cb 1.54 0.01 -0.03 0.00 1.08 0.00 0.00 40.66 43.26 1pp8 h LEU 87 CO 0.00 0.02 0.42 0.08 -1.08 0.00 0.00 178.44 177.88 1pp8 h ARG 88 N -0.16 0.96 -0.94 1.13 0.11 -1.41 -0.57 114.38 113.49 1pp8 h ARG 88 Ca -0.01 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 59.99 1pp8 h ARG 88 Cb 0.04 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 30.92 1pp8 h ARG 88 CO 0.01 0.67 0.00 -0.25 0.10 0.00 0.00 179.97 180.50 1pp8 n ASP 89 N -4.39 1.34 0.00 0.08 10.43 -0.67 -3.04 116.55 120.30 1pp8 n ASP 89 Ca 0.07 -1.51 0.00 0.00 2.57 0.00 0.00 54.79 55.92 1pp8 n ASP 89 Cb 0.07 -0.38 0.00 0.00 1.84 0.00 0.00 41.12 42.65 1pp8 n ASP 89 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1pp8 n LEU 90 N 0.31 0.00 0.00 0.64 4.77 -0.31 -4.89 117.00 117.52 1pp8 n LEU 90 Ca 0.00 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1pp8 n LEU 90 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1pp8 n LEU 90 CO 0.00 0.42 0.00 0.00 -1.33 0.00 0.00 177.39 176.48 1pp8 n ALA 91 N 0.00 0.00 -1.01 -1.18 0.00 -0.65 -5.02 120.51 112.65 1pp8 n ALA 91 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1pp8 n ALA 91 Cb 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.80 1pp8 n ALA 91 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1pp8 n PHE 92 N 0.00 0.99 -5.14 0.00 3.72 -1.13 -4.82 117.46 111.09 1pp8 n PHE 92 Ca 0.00 0.65 -0.31 0.00 -0.05 0.00 0.00 57.45 57.74 1pp8 n PHE 92 Cb 0.00 -1.45 -0.17 0.00 -0.94 0.00 0.00 39.48 36.92 1pp8 n PHE 92 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 1pp8 s GLU 93 N 2.66 2.77 1.01 -1.08 -1.05 0.36 -4.07 118.70 119.31 1pp8 s GLU 93 Ca 0.71 -0.82 -0.18 0.00 -0.15 0.00 0.00 54.97 54.53 1pp8 s GLU 93 Cb -0.97 -2.15 0.04 0.00 -0.44 0.00 0.00 34.13 30.61 1pp8 s GLU 93 CO 0.49 0.20 -0.31 0.94 0.95 0.00 0.00 175.26 177.53 1pp8 n GLN 94 N 3.45 -1.29 0.00 -4.83 7.27 -1.26 -2.16 117.38 118.56 1pp8 n GLN 94 Ca -0.19 -0.37 0.00 0.00 0.07 0.00 0.00 57.00 56.51 1pp8 n GLN 94 Cb 0.53 -1.40 0.00 0.00 2.41 0.00 0.00 30.24 31.77 1pp8 n GLN 94 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1pp8 n LEU 95 N 0.09 0.00 -3.49 1.69 7.99 -1.26 -4.68 117.00 117.34 1pp8 n LEU 95 Ca 0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 55.91 1pp8 n LEU 95 Cb 0.54 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.82 1pp8 n LEU 95 CO 0.38 0.06 0.61 -1.10 -1.51 0.00 0.00 177.39 175.83 1pp8 s GLN 96 N 0.00 0.92 0.00 3.23 -1.52 -1.26 -4.99 119.66 116.04 1pp8 s GLN 96 Ca 0.00 -0.23 0.00 0.00 -1.95 0.00 0.00 55.36 53.18 1pp8 s GLN 96 Cb 0.00 0.43 0.00 0.00 -0.22 0.00 0.00 33.01 33.22 1pp8 s GLN 96 CO 0.00 -0.38 0.00 1.58 -0.25 0.00 0.00 175.29 176.24 1pp8 n HIS 97 N -0.04 0.00 -3.63 0.91 -0.00 -1.26 -4.24 115.22 106.96 1pp8 n HIS 97 Ca -0.12 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.52 1pp8 n HIS 97 Cb 0.62 -0.33 -0.07 0.00 -0.00 0.00 0.00 29.99 30.21 1pp8 n HIS 97 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1pp8 s ASP 98 N -3.17 -0.35 -0.11 0.26 -1.08 -1.25 -4.24 116.67 106.72 1pp8 s ASP 98 Ca 0.00 0.62 -0.15 0.00 -0.52 0.00 0.00 52.55 52.50 1pp8 s ASP 98 Cb 0.00 0.61 0.04 0.00 -1.46 0.00 0.00 42.92 42.10 1pp8 s ASP 98 CO 0.00 -0.16 0.39 -0.54 0.52 0.00 0.00 175.17 175.38 1pp8 s LYS 99 N -0.11 0.55 0.00 4.34 3.01 -0.62 -4.85 119.74 122.05 1pp8 s LYS 99 Ca 0.03 0.36 0.00 0.00 -1.01 0.00 0.00 55.97 55.35 1pp8 s LYS 99 Cb -0.04 0.26 0.00 0.00 -1.01 0.00 0.00 37.83 37.04 1pp8 s LYS 99 CO -0.06 -0.10 0.00 0.41 0.51 0.00 0.00 175.35 176.11 1pp8 n GLY 100 N 2.38 0.00 0.00 -3.33 0.00 -1.26 0.31 105.19 103.29 1pp8 n GLY 100 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1pp8 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pp8 n GLY 101 N -0.51 1.25 3.67 -0.02 0.00 -1.26 -5.07 105.19 103.25 1pp8 n GLY 101 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1pp8 n GLY 101 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pp8 s TRP 102 N -2.00 3.33 -0.17 1.61 0.23 0.90 -3.59 118.94 119.25 1pp8 s TRP 102 Ca 0.00 0.21 -0.04 0.00 -2.03 0.00 0.00 56.10 54.24 1pp8 s TRP 102 Cb 0.00 -2.18 0.07 0.00 0.03 0.00 0.00 33.47 31.38 1pp8 s TRP 102 CO 0.00 0.16 0.14 0.95 0.96 0.00 0.00 176.95 179.15 1pp8 s THR 103 N 0.66 -0.18 1.24 2.01 -4.23 -0.14 -1.59 115.64 113.41 1pp8 s THR 103 Ca 0.07 -0.10 -0.19 0.00 -1.18 0.00 0.00 61.69 60.30 1pp8 s THR 103 Cb -0.12 -0.57 0.27 0.00 1.34 0.00 0.00 72.50 73.42 1pp8 s THR 103 CO 0.01 -0.22 0.61 0.00 -0.54 0.00 0.00 174.62 174.49 1pp8 n GLN 104 N 5.30 -3.43 -3.63 3.99 6.02 -1.26 -2.72 117.38 121.63 1pp8 n GLN 104 Ca -0.06 -1.01 -0.06 0.00 -0.01 0.00 0.00 57.00 55.85 1pp8 n GLN 104 Cb 0.49 -1.74 -0.06 0.00 1.02 0.00 0.00 30.24 29.94 1pp8 n GLN 104 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1pp8 s TRP 105 N -2.13 -0.26 0.10 1.08 0.52 0.09 -4.22 118.94 114.13 1pp8 s TRP 105 Ca 0.54 0.60 0.05 0.00 0.02 0.00 0.00 56.10 57.31 1pp8 s TRP 105 Cb -0.11 0.43 -0.03 0.00 -1.15 0.00 0.00 33.47 32.61 1pp8 s TRP 105 CO 0.48 -0.15 -0.14 0.15 0.02 0.00 0.00 176.95 177.31 1pp8 s LYS 106 N -0.17 0.92 -0.29 4.98 1.02 -0.92 -2.04 119.74 123.25 1pp8 s LYS 106 Ca 0.05 -1.12 -0.17 0.00 0.02 0.00 0.00 55.97 54.74 1pp8 s LYS 106 Cb -0.04 -0.83 0.15 0.00 -0.52 0.00 0.00 37.83 36.59 1pp8 s LYS 106 CO -0.09 0.17 1.03 0.50 -0.92 0.00 0.00 175.35 176.04 1pp8 s ARG 107 N -2.33 0.35 0.00 1.68 3.00 -1.26 -0.49 118.95 119.90 1pp8 s ARG 107 Ca 0.04 0.57 0.00 0.00 -1.00 0.00 0.00 55.73 55.34 1pp8 s ARG 107 Cb -0.07 0.08 0.00 0.00 0.00 0.00 0.00 34.95 34.97 1pp8 s ARG 107 CO 0.02 -0.07 0.86 0.43 0.00 0.00 0.00 175.30 176.54 1pp8 n SER 108 N 3.40 0.00 -0.89 -2.12 7.64 -1.26 -2.07 113.62 118.32 1pp8 n SER 108 Ca -0.17 0.86 0.00 0.00 1.01 0.00 0.00 58.87 60.56 1pp8 n SER 108 Cb 0.57 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 1pp8 n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pp8 n GLY 109 N -0.93 0.96 2.75 0.23 0.00 -1.26 -4.44 105.19 102.51 1pp8 n GLY 109 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1pp8 n GLY 109 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1pp8 s PHE 110 N 0.17 2.02 0.03 1.61 5.36 -0.88 -3.50 117.98 122.79 1pp8 s PHE 110 Ca 0.00 -2.14 -0.15 0.00 -0.96 0.00 0.00 56.93 53.68 1pp8 s PHE 110 Cb 0.00 -1.90 0.02 0.00 -0.34 0.00 0.00 43.02 40.80 1pp8 s PHE 110 CO 0.00 -0.85 0.32 0.99 -1.46 0.00 0.00 175.22 174.23 1pp8 s THR 111 N 1.04 0.07 0.01 0.12 2.01 -1.26 -4.53 115.64 113.10 1pp8 s THR 111 Ca 0.13 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.53 1pp8 s THR 111 Cb -0.20 -0.88 0.01 0.00 0.01 0.00 0.00 72.50 71.43 1pp8 s THR 111 CO -0.13 -0.33 0.03 -1.14 -0.69 0.00 0.00 174.62 172.36 1pp8 n ARG 112 N 0.69 0.00 0.00 4.92 0.63 -0.93 0.13 116.66 122.10 1pp8 n ARG 112 Ca -0.19 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 1pp8 n ARG 112 Cb 0.59 -0.05 0.00 0.00 0.45 0.00 0.00 32.46 33.45 1pp8 n ARG 112 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1pp8 n ASN 113 N -1.76 0.30 -1.15 6.15 3.02 -1.26 -4.99 115.26 115.56 1pp8 n ASN 113 Ca 0.01 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 1pp8 n ASN 113 Cb 0.04 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 1pp8 n ASN 113 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1pp8 n SER 114 N -0.01 0.00 -0.88 6.41 3.41 0.34 -5.16 113.62 117.73 1pp8 n SER 114 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 1pp8 n SER 114 Cb 0.19 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.23 1pp8 n SER 114 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40