#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pp8 h SER 3 N 0.00 0.00 0.00 1.67 0.02 -2.07 -3.25 113.55 109.91 1pp8 h SER 3 Ca 0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 1pp8 h SER 3 Cb 0.00 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 1pp8 h SER 3 CO 0.00 0.38 -2.09 -0.46 -1.14 0.00 0.00 176.83 173.52 1pp8 n ASN 4 N -3.56 1.51 -0.34 3.07 0.23 -1.26 -4.37 115.26 110.54 1pp8 n ASN 4 Ca -0.00 -0.03 0.18 0.00 -0.53 0.00 0.00 54.58 54.19 1pp8 n ASN 4 Cb 0.51 0.55 0.38 0.00 -2.08 0.00 0.00 39.78 39.14 1pp8 n ASN 4 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 1pp8 h ASP 5 N 0.00 0.60 -0.45 0.53 1.82 -2.01 2.09 116.42 119.00 1pp8 h ASP 5 Ca -0.43 0.15 0.13 0.00 -0.39 0.00 0.00 57.03 56.49 1pp8 h ASP 5 Cb 1.89 0.06 -0.02 0.00 0.68 0.00 0.00 39.33 41.94 1pp8 h ASP 5 CO -0.00 0.06 0.42 0.25 -1.61 0.00 0.00 179.24 178.36 1pp8 h LEU 6 N 0.52 0.00 -0.08 2.28 5.85 -1.76 0.18 115.31 122.31 1pp8 h LEU 6 Ca 0.64 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.34 1pp8 h LEU 6 Cb 1.25 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 1pp8 h LEU 6 CO -0.50 0.00 -0.05 -0.08 -0.34 0.00 0.00 178.44 177.47 1pp8 h GLU 7 N 0.00 0.17 0.10 1.25 4.81 0.32 -2.35 114.58 118.87 1pp8 h GLU 7 Ca 0.21 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1pp8 h GLU 7 Cb 1.05 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 1pp8 h GLU 7 CO -0.00 0.55 -0.26 0.00 -0.73 0.00 0.00 179.01 178.58 1pp8 h ALA 8 N 0.61 -0.81 -0.42 2.92 0.00 -0.45 0.50 119.26 121.60 1pp8 h ALA 8 Ca 0.02 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 54.99 1pp8 h ALA 8 Cb 0.51 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1pp8 h ALA 8 CO 0.01 -0.86 0.65 1.03 0.00 0.00 0.00 179.25 180.08 1pp8 h SER 9 N -0.39 0.00 0.00 0.00 0.87 -1.39 0.16 113.55 112.80 1pp8 h SER 9 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1pp8 h SER 9 Cb 0.38 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1pp8 h SER 9 CO -0.12 0.00 0.00 0.49 -0.53 0.00 0.00 176.83 176.67 1pp8 n PHE 10 N -3.31 0.00 -0.38 2.24 3.72 0.79 -2.60 117.46 117.93 1pp8 n PHE 10 Ca 0.08 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.46 1pp8 n PHE 10 Cb 0.81 -0.25 0.02 0.00 -0.94 0.00 0.00 39.48 39.12 1pp8 n PHE 10 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1pp8 n THR 11 N -1.39 -0.53 -0.01 4.37 -2.24 0.14 -1.20 114.28 113.42 1pp8 n THR 11 Ca 0.00 2.28 -0.09 0.00 -2.27 0.00 0.00 64.05 63.97 1pp8 n THR 11 Cb 0.00 -2.98 -0.06 0.00 -2.10 0.00 0.00 70.33 65.19 1pp8 n THR 11 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1pp8 h SER 12 N 0.00 -0.99 0.00 3.42 0.87 -0.87 0.78 113.55 116.76 1pp8 h SER 12 Ca 0.31 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 1pp8 h SER 12 Cb 0.56 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1pp8 h SER 12 CO -0.95 -0.28 0.00 -1.14 -0.53 0.00 0.00 176.83 173.93 1pp8 n ARG 13 N -4.20 0.00 -4.17 2.24 0.63 -0.34 -4.66 116.66 106.15 1pp8 n ARG 13 Ca -0.03 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.72 1pp8 n ARG 13 Cb 0.22 -1.22 -0.12 0.00 0.45 0.00 0.00 32.46 31.78 1pp8 n ARG 13 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 1pp8 s LEU 14 N -1.41 2.25 -0.24 6.15 2.34 0.27 -5.04 118.68 123.00 1pp8 s LEU 14 Ca 0.00 -0.57 -0.14 0.00 0.06 0.00 0.00 54.13 53.48 1pp8 s LEU 14 Cb 0.00 -0.45 -0.07 0.00 -0.56 0.00 0.00 46.19 45.11 1pp8 s LEU 14 CO 0.00 -0.08 0.82 -2.65 -1.06 0.00 0.00 176.35 173.38 1pp8 n PRO 15 N 1.45 0.00 0.03 1.48 -0.02 -1.26 -4.74 135.00 131.94 1pp8 n PRO 15 Ca -0.21 0.00 0.22 0.00 -2.02 0.00 0.00 63.50 61.49 1pp8 n PRO 15 Cb 0.54 -0.53 0.66 0.00 -0.02 0.00 0.00 33.50 34.16 1pp8 n PRO 15 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1pp8 h PRO 16 N 3.53 0.00 0.28 0.52 0.11 -1.91 -0.49 132.00 134.03 1pp8 h PRO 16 Ca -0.03 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1pp8 h PRO 16 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1pp8 h PRO 16 CO 0.42 0.00 -0.13 1.05 -0.21 0.00 0.00 178.00 179.13 1pp8 h GLU 17 N 0.00 -0.36 -0.13 1.05 4.11 -2.00 -3.11 114.58 114.13 1pp8 h GLU 17 Ca 0.26 0.02 0.05 0.00 0.07 0.00 0.00 59.36 59.76 1pp8 h GLU 17 Cb 1.55 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.81 1pp8 h GLU 17 CO -0.00 -0.02 -0.36 0.82 0.07 0.00 0.00 179.01 179.52 1pp8 h ILE 18 N -0.92 0.23 -0.93 -1.06 2.04 -1.51 0.12 117.51 115.47 1pp8 h ILE 18 Ca -0.04 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.02 1pp8 h ILE 18 Cb 0.50 0.23 -0.18 0.00 -0.74 0.00 0.00 36.82 36.63 1pp8 h ILE 18 CO 0.06 0.00 -0.21 0.52 0.00 0.00 0.00 178.15 178.52 1pp8 n VAL 19 N -5.42 -0.39 -0.07 1.67 0.31 -0.58 0.16 118.33 114.00 1pp8 n VAL 19 Ca -0.03 2.13 -0.13 0.00 -0.01 0.00 0.00 64.34 66.29 1pp8 n VAL 19 Cb 0.34 -2.96 -0.06 0.00 -0.91 0.00 0.00 33.84 30.25 1pp8 n VAL 19 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pp8 h ALA 20 N 1.87 0.32 -0.21 3.52 0.00 -1.15 -2.32 119.26 121.28 1pp8 h ALA 20 Ca 0.46 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1pp8 h ALA 20 Cb 0.73 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1pp8 h ALA 20 CO -0.95 0.28 -0.13 0.00 0.00 0.00 0.00 179.25 178.45 1pp8 n ALA 21 N -2.46 -0.14 -0.12 0.00 0.00 0.41 -0.42 120.51 117.78 1pp8 n ALA 21 Ca -0.05 0.18 -0.14 0.00 0.00 0.00 0.00 53.44 53.43 1pp8 n ALA 21 Cb 0.42 0.29 -0.10 0.00 0.00 0.00 0.00 19.45 20.06 1pp8 n ALA 21 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1pp8 h LEU 22 N 0.00 -1.85 0.00 0.00 3.38 -1.08 -1.98 115.31 113.78 1pp8 h LEU 22 Ca 0.03 0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1pp8 h LEU 22 Cb 0.09 0.75 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1pp8 h LEU 22 CO -0.20 -0.41 0.09 1.17 0.09 0.00 0.00 178.44 179.17 1pp8 n LYS 23 N -5.38 0.00 -2.71 1.13 0.00 0.44 -4.58 118.16 107.05 1pp8 n LYS 23 Ca -0.04 0.18 -0.42 0.00 0.00 0.00 0.00 58.31 58.03 1pp8 n LYS 23 Cb 0.35 -1.59 -0.03 0.00 0.00 0.00 0.00 35.03 33.76 1pp8 n LYS 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1pp8 s ARG 24 N -2.20 3.31 0.05 1.64 6.06 -0.64 -4.98 118.95 122.18 1pp8 s ARG 24 Ca 0.00 -0.86 -0.19 0.00 -2.50 0.00 0.00 55.73 52.18 1pp8 s ARG 24 Cb 0.00 -4.55 -0.10 0.00 0.06 0.00 0.00 34.95 30.36 1pp8 s ARG 24 CO 0.00 -1.99 0.46 1.17 -2.50 0.00 0.00 175.30 172.44 1pp8 n LYS 25 N 8.27 0.00 -1.61 5.12 3.00 -1.26 -4.60 118.16 127.08 1pp8 n LYS 25 Ca 0.10 0.00 -0.55 0.00 -0.00 0.00 0.00 58.31 57.86 1pp8 n LYS 25 Cb 0.48 -0.71 -0.07 0.00 0.00 0.00 0.00 35.03 34.73 1pp8 n LYS 25 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1pp8 n SER 26 N 0.96 2.29 -4.17 3.14 3.41 -1.26 -4.96 113.62 113.02 1pp8 n SER 26 Ca 0.11 0.86 -0.17 0.00 -0.26 0.00 0.00 58.87 59.41 1pp8 n SER 26 Cb 0.09 -1.17 0.03 0.00 -0.26 0.00 0.00 64.21 62.89 1pp8 n SER 26 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1pp8 n SER 27 N 6.86 1.92 0.15 4.04 2.88 -1.25 -4.99 113.62 123.23 1pp8 n SER 27 Ca 0.32 -2.28 0.00 0.00 -1.33 0.00 0.00 58.87 55.59 1pp8 n SER 27 Cb 0.16 -0.19 0.27 0.00 -0.75 0.00 0.00 64.21 63.70 1pp8 n SER 27 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1pp8 h ARG 28 N 0.00 0.08 -6.21 -1.46 3.08 -1.95 -3.44 114.38 104.48 1pp8 h ARG 28 Ca -0.23 -0.04 -0.56 0.00 0.07 0.00 0.00 59.98 59.22 1pp8 h ARG 28 Cb 0.95 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.99 1pp8 h ARG 28 CO 0.35 0.50 1.29 0.34 -1.07 0.00 0.00 179.97 181.38 1pp8 s ASP 29 N -6.90 6.08 0.00 7.04 2.15 -1.26 -4.87 116.67 118.91 1pp8 s ASP 29 Ca -0.03 2.05 0.00 0.00 0.43 0.00 0.00 52.55 55.00 1pp8 s ASP 29 Cb 0.14 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 1pp8 s ASP 29 CO 0.75 -1.43 0.00 -2.65 -0.17 0.00 0.00 175.17 171.66 1pp8 n PRO 30 N 8.00 0.00 0.00 4.34 -0.02 -1.26 -0.03 135.00 146.03 1pp8 n PRO 30 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1pp8 n PRO 30 Cb 0.44 -0.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.98 1pp8 n PRO 30 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1pp8 n ASN 31 N -0.07 0.85 -0.37 2.55 3.02 -1.26 -4.51 115.26 115.47 1pp8 n ASN 31 Ca 0.00 -1.16 0.06 0.00 -0.03 0.00 0.00 54.58 53.45 1pp8 n ASN 31 Cb 0.00 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.31 1pp8 n ASN 31 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1pp8 n SER 32 N -0.08 2.76 -4.91 6.41 2.88 0.96 -4.51 113.62 117.13 1pp8 n SER 32 Ca 0.00 -2.56 -0.31 0.00 -1.33 0.00 0.00 58.87 54.66 1pp8 n SER 32 Cb 0.14 -0.31 -0.04 0.00 -0.75 0.00 0.00 64.21 63.25 1pp8 n SER 32 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pp8 s ARG 33 N -1.99 3.50 0.00 -1.46 1.04 -1.25 -3.88 118.95 114.91 1pp8 s ARG 33 Ca 0.24 -0.31 0.00 0.00 -1.04 0.00 0.00 55.73 54.62 1pp8 s ARG 33 Cb 0.19 -2.99 0.00 0.00 -2.04 0.00 0.00 34.95 30.11 1pp8 s ARG 33 CO 0.06 0.58 0.52 0.34 -0.04 0.00 0.00 175.30 176.76 1pp8 n PHE 34 N 0.31 0.00 -0.05 5.89 -0.00 -1.26 -1.11 117.46 121.24 1pp8 n PHE 34 Ca -0.05 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.41 1pp8 n PHE 34 Cb 0.51 -0.08 0.02 0.00 -0.00 0.00 0.00 39.48 39.93 1pp8 n PHE 34 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1pp8 n PRO 35 N -1.30 -0.01 0.10 -7.13 -0.02 -1.26 0.23 135.00 125.60 1pp8 n PRO 35 Ca 0.00 0.21 -0.10 0.00 -2.02 0.00 0.00 63.50 61.59 1pp8 n PRO 35 Cb 0.00 -0.31 -0.06 0.00 -0.02 0.00 0.00 33.50 33.10 1pp8 n PRO 35 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pp8 h ARG 36 N 0.00 -0.31 -1.13 -0.52 -0.00 -1.66 -2.05 114.38 108.72 1pp8 h ARG 36 Ca 0.06 0.02 0.32 0.00 -0.50 0.00 0.00 59.98 59.88 1pp8 h ARG 36 Cb 0.10 0.07 -0.06 0.00 0.00 0.00 0.00 29.97 30.08 1pp8 h ARG 36 CO -0.14 0.03 0.79 -0.22 0.00 0.00 0.00 179.97 180.43 1pp8 h LYS 37 N -0.95 0.10 0.19 0.04 3.64 0.46 0.28 116.57 120.33 1pp8 h LYS 37 Ca -0.03 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1pp8 h LYS 37 Cb 0.48 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1pp8 h LYS 37 CO 0.05 0.07 -0.09 1.25 -2.27 0.00 0.00 179.45 178.46 1pp8 h LEU 38 N 0.11 -0.21 -1.49 5.20 7.12 -0.95 -3.18 115.31 121.90 1pp8 h LEU 38 Ca 0.57 0.01 0.43 0.00 0.13 0.00 0.00 57.88 59.02 1pp8 h LEU 38 Cb 2.02 0.06 -0.06 0.00 -0.53 0.00 0.00 40.66 42.15 1pp8 h LEU 38 CO -0.09 -0.02 1.33 1.57 -0.13 0.00 0.00 178.44 181.10 1pp8 n HIS 39 N -3.43 0.00 0.00 1.25 -0.00 -0.18 -0.60 115.22 112.26 1pp8 n HIS 39 Ca -0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.15 1pp8 n HIS 39 Cb 0.10 -0.37 0.00 0.00 -0.12 0.00 0.00 29.99 29.60 1pp8 n HIS 39 CO 0.00 0.00 0.00 -0.12 0.46 0.00 0.00 176.34 176.68 1pp8 n MET 40 N -3.57 0.00 -0.26 1.57 0.00 -0.09 -2.30 117.12 112.48 1pp8 n MET 40 Ca 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 57.70 58.03 1pp8 n MET 40 Cb 1.77 -0.87 0.02 0.00 0.00 0.00 0.00 33.22 34.14 1pp8 n MET 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1pp8 n LEU 41 N -0.43 -0.45 0.06 -0.89 7.99 0.23 0.21 117.00 123.72 1pp8 n LEU 41 Ca 0.00 1.17 0.21 0.00 -0.01 0.00 0.00 56.01 57.38 1pp8 n LEU 41 Cb 0.00 -0.26 0.68 0.00 -0.11 0.00 0.00 43.42 43.73 1pp8 n LEU 41 CO 0.00 -1.04 1.19 0.25 -1.51 0.00 0.00 177.39 176.28 1pp8 h LEU 42 N 0.00 0.00 0.00 2.23 5.85 -1.02 -1.60 115.31 120.77 1pp8 h LEU 42 Ca 0.23 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.73 1pp8 h LEU 42 Cb 0.39 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1pp8 h LEU 42 CO -0.66 0.00 -1.48 0.35 -0.34 0.00 0.00 178.44 176.31 1pp8 n THR 43 N -3.52 1.50 -0.06 1.05 -2.24 0.57 -3.91 114.28 107.67 1pp8 n THR 43 Ca 0.10 -0.06 -0.02 0.00 -2.27 0.00 0.00 64.05 61.79 1pp8 n THR 43 Cb 0.79 -2.12 -0.02 0.00 -2.10 0.00 0.00 70.33 66.88 1pp8 n THR 43 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1pp8 h TYR 44 N -1.00 -0.33 -0.95 4.78 -0.00 -0.85 1.30 116.97 119.92 1pp8 h TYR 44 Ca -0.33 0.02 0.37 0.00 -0.00 0.00 0.00 58.73 58.79 1pp8 h TYR 44 Cb 1.19 0.16 -0.14 0.00 -0.00 0.00 0.00 36.73 37.94 1pp8 h TYR 44 CO -0.13 -0.07 0.55 1.28 -0.00 0.00 0.00 178.16 179.79 1pp8 n LEU 45 N -3.33 0.25 0.01 2.82 4.77 -0.66 0.24 117.00 121.11 1pp8 n LEU 45 Ca 0.00 1.31 0.23 0.00 -0.03 0.00 0.00 56.01 57.52 1pp8 n LEU 45 Cb 0.05 -0.64 0.71 0.00 -2.33 0.00 0.00 43.42 41.21 1pp8 n LEU 45 CO -0.02 -1.46 1.21 0.00 -1.33 0.00 0.00 177.39 175.79 1pp8 h ALA 46 N 1.56 2.35 0.00 -1.18 0.00 0.16 -0.45 119.26 121.70 1pp8 h ALA 46 Ca 0.72 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.60 1pp8 h ALA 46 Cb 2.06 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.89 1pp8 h ALA 46 CO -0.56 -0.87 -0.07 0.66 0.00 0.00 0.00 179.25 178.41 1pp8 h SER 47 N 0.00 0.00 -2.09 0.00 4.64 0.32 -3.42 113.55 113.01 1pp8 h SER 47 Ca 0.27 -0.75 -0.76 0.00 -0.47 0.00 0.00 61.79 60.09 1pp8 h SER 47 Cb 1.43 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.33 1pp8 h SER 47 CO -0.00 0.92 1.46 -3.20 -0.87 0.00 0.00 176.83 175.14 1pp8 n ASN 48 N -4.64 5.32 0.11 4.97 2.85 -0.18 -4.92 115.26 118.77 1pp8 n ASN 48 Ca -0.09 -3.07 0.13 0.00 -0.11 0.00 0.00 54.58 51.44 1pp8 n ASN 48 Cb 0.39 -1.49 0.28 0.00 1.24 0.00 0.00 39.78 40.20 1pp8 n ASN 48 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1pp8 h PRO 49 N 6.41 0.00 0.31 1.20 0.11 -1.82 -2.12 132.00 136.09 1pp8 h PRO 49 Ca 0.32 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.42 1pp8 h PRO 49 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1pp8 h PRO 49 CO 1.37 0.00 -0.15 0.37 -0.21 0.00 0.00 178.00 179.38 1pp8 h GLN 50 N 0.00 -0.41 -0.91 1.05 4.15 -1.91 -2.95 115.11 114.13 1pp8 h GLN 50 Ca 0.20 0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.75 1pp8 h GLN 50 Cb 2.19 0.09 -0.08 0.00 0.21 0.00 0.00 27.48 29.89 1pp8 h GLN 50 CO -0.00 -0.27 0.55 -0.07 -1.93 0.00 0.00 178.83 177.11 1pp8 h LEU 51 N -0.69 0.81 -1.47 -2.39 3.38 -1.76 0.64 115.31 113.83 1pp8 h LEU 51 Ca -0.04 0.04 0.29 0.00 0.09 0.00 0.00 57.88 58.26 1pp8 h LEU 51 Cb 0.32 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1pp8 h LEU 51 CO 0.07 0.45 1.01 -0.08 0.09 0.00 0.00 178.44 179.99 1pp8 h GLU 52 N 0.91 0.00 0.00 1.13 4.81 -1.48 -0.36 114.58 119.59 1pp8 h GLU 52 Ca 0.44 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.53 1pp8 h GLU 52 Cb 0.39 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1pp8 h GLU 52 CO -0.25 0.00 -1.10 -1.91 -0.73 0.00 0.00 179.01 175.02 1pp8 n GLU 53 N -3.50 0.52 0.26 1.92 2.13 0.22 -2.54 120.64 119.64 1pp8 n GLU 53 Ca 0.22 0.47 -0.10 0.00 0.66 0.00 0.00 57.16 58.40 1pp8 n GLU 53 Cb 1.32 -1.65 -0.05 0.00 0.27 0.00 0.00 31.44 31.34 1pp8 n GLU 53 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1pp8 h GLU 54 N -1.00 -0.64 -0.34 5.31 5.08 -0.45 -2.86 114.58 119.68 1pp8 h GLU 54 Ca -0.21 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1pp8 h GLU 54 Cb 0.99 0.15 -0.08 0.00 0.50 0.00 0.00 28.75 30.31 1pp8 h GLU 54 CO -0.13 -0.43 -0.23 0.82 -1.00 0.00 0.00 179.01 178.04 1pp8 h ILE 55 N -0.66 0.38 -2.78 3.13 2.04 -1.35 -3.48 117.51 114.78 1pp8 h ILE 55 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1pp8 h ILE 55 Cb 0.51 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1pp8 h ILE 55 CO 0.10 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.86 1pp8 n GLY 56 N -1.38 -2.67 0.00 5.37 0.00 -1.05 -4.46 105.19 101.00 1pp8 n GLY 56 Ca 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.56 0.99 0.00 -1.22 -1.06 117.00 112.15 1pp8 n LEU 57 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 56.01 56.05 1pp8 n LEU 57 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 43.42 43.42 1pp8 n LEU 57 CO 0.00 0.00 1.22 -0.94 0.00 0.00 0.00 177.39 177.67 1pp8 s SER 58 N 0.00 -0.00 0.66 1.96 1.04 -0.14 -4.87 113.70 112.34 1pp8 s SER 58 Ca 0.00 -0.01 -0.11 0.00 0.48 0.00 0.00 55.95 56.31 1pp8 s SER 58 Cb 0.00 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.11 1pp8 s SER 58 CO 0.00 -0.01 1.05 0.26 0.98 0.00 0.00 173.24 175.51 1pp8 s TRP 59 N -2.02 3.31 0.00 5.02 0.52 -1.26 -0.69 118.94 123.82 1pp8 s TRP 59 Ca 0.15 1.37 0.00 0.00 0.02 0.00 0.00 56.10 57.64 1pp8 s TRP 59 Cb 0.08 -2.82 0.00 0.00 -1.15 0.00 0.00 33.47 29.57 1pp8 s TRP 59 CO -0.07 -1.01 0.00 -0.89 0.02 0.00 0.00 176.95 175.00 1pp8 n ILE 60 N -2.94 0.00 -4.05 2.03 -0.00 -0.78 -4.81 119.36 108.81 1pp8 n ILE 60 Ca 0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 62.75 62.70 1pp8 n ILE 60 Cb 0.54 0.06 -0.05 0.00 -0.00 0.00 0.00 39.64 40.18 1pp8 n ILE 60 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 1pp8 s SER 61 N -1.41 0.31 0.49 4.38 1.04 -1.20 -5.00 113.70 112.31 1pp8 s SER 61 Ca 0.00 -1.20 0.28 0.00 0.48 0.00 0.00 55.95 55.52 1pp8 s SER 61 Cb 0.00 0.60 0.87 0.00 0.10 0.00 0.00 66.02 67.59 1pp8 s SER 61 CO 0.00 -1.18 1.80 0.44 0.98 0.00 0.00 173.24 175.28 1pp8 h ASP 62 N 2.24 0.00 0.38 7.02 3.32 -1.98 -3.26 116.42 124.14 1pp8 h ASP 62 Ca -0.28 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.45 1pp8 h ASP 62 Cb 1.25 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.77 1pp8 h ASP 62 CO 0.39 0.00 -1.72 0.71 -1.72 0.00 0.00 179.24 176.90 1pp8 h THR 63 N 0.00 0.91 -2.89 0.35 1.35 -1.88 -3.41 112.91 107.33 1pp8 h THR 63 Ca 0.00 -2.64 -0.45 0.00 -0.55 0.00 0.00 66.41 62.77 1pp8 h THR 63 Cb 0.74 2.57 -0.14 0.00 -1.73 0.00 0.00 68.15 69.59 1pp8 h THR 63 CO 0.00 0.74 -0.68 -1.83 -0.25 0.00 0.00 175.52 173.50 1pp8 s GLU 64 N -2.60 1.44 0.13 4.72 -1.05 -1.23 -4.44 118.70 115.68 1pp8 s GLU 64 Ca -0.11 -1.72 -0.04 0.00 -0.15 0.00 0.00 54.97 52.95 1pp8 s GLU 64 Cb 0.07 -0.97 -0.03 0.00 -0.44 0.00 0.00 34.13 32.76 1pp8 s GLU 64 CO 0.82 0.01 0.13 -0.59 0.95 0.00 0.00 175.26 176.58 1pp8 s PHE 65 N -3.14 0.64 0.06 4.83 -0.71 0.30 -1.87 117.98 118.08 1pp8 s PHE 65 Ca 0.28 -1.03 0.08 0.00 -1.04 0.00 0.00 56.93 55.22 1pp8 s PHE 65 Cb 0.04 -0.31 -0.03 0.00 -1.21 0.00 0.00 43.02 41.51 1pp8 s PHE 65 CO 0.10 -0.58 -0.22 -1.59 -1.34 0.00 0.00 175.22 171.60 1pp8 s LYS 66 N -4.00 1.40 0.18 1.99 -2.85 0.13 -0.47 119.74 116.12 1pp8 s LYS 66 Ca 0.19 -1.01 -0.12 0.00 -1.00 0.00 0.00 55.97 54.03 1pp8 s LYS 66 Cb 0.06 -1.56 0.00 0.00 -2.06 0.00 0.00 37.83 34.28 1pp8 s LYS 66 CO -0.01 0.39 0.37 0.00 0.10 0.00 0.00 175.35 176.21 1pp8 s MET 67 N -1.33 1.25 -0.96 1.78 0.23 -0.37 -0.97 119.30 118.93 1pp8 s MET 67 Ca 0.08 -1.08 -0.03 0.00 -1.03 0.00 0.00 55.69 53.63 1pp8 s MET 67 Cb -0.09 0.43 0.25 0.00 -1.53 0.00 0.00 34.83 33.89 1pp8 s MET 67 CO 0.02 -0.49 0.96 1.63 -2.03 0.00 0.00 175.02 175.12 1pp8 n LYS 68 N -0.26 3.10 -0.20 3.16 5.02 -0.23 -2.25 118.16 126.51 1pp8 n LYS 68 Ca -0.08 -4.50 -0.00 0.00 -2.02 0.00 0.00 58.31 51.71 1pp8 n LYS 68 Cb 0.63 -2.45 0.02 0.00 -0.02 0.00 0.00 35.03 33.21 1pp8 n LYS 68 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pp8 n LYS 69 N 2.14 -0.12 -0.35 1.97 5.02 -1.26 0.47 118.16 126.04 1pp8 n LYS 69 Ca 0.24 0.81 0.01 0.00 -2.02 0.00 0.00 58.31 57.35 1pp8 n LYS 69 Cb 0.37 -1.20 0.07 0.00 -0.02 0.00 0.00 35.03 34.25 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 -0.02 0.23 1.97 6.56 -1.94 0.61 116.57 123.98 1pp8 h LYS 70 Ca 0.19 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.77 1pp8 h LYS 70 Cb 0.32 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.99 1pp8 h LYS 70 CO -0.52 -0.01 -0.11 -0.91 -2.06 0.00 0.00 179.45 175.84 1pp8 h ASN 71 N -0.02 -0.26 0.37 0.86 2.35 -0.26 -2.21 115.58 116.42 1pp8 h ASN 71 Ca 0.38 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1pp8 h ASN 71 Cb 0.63 0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.05 1pp8 h ASN 71 CO -0.95 0.15 -0.38 0.58 -1.65 0.00 0.00 177.43 175.18 1pp8 h VAL 72 N -0.72 0.00 -1.82 2.81 2.07 -0.86 0.88 116.25 118.61 1pp8 h VAL 72 Ca -0.03 0.00 0.53 0.00 0.82 0.00 0.00 66.70 68.02 1pp8 h VAL 72 Cb 0.49 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.19 1pp8 h VAL 72 CO 0.05 0.00 1.34 0.00 0.02 0.00 0.00 177.57 178.98 1pp8 h ALA 73 N -1.11 3.72 0.36 1.67 0.00 0.06 0.21 119.26 124.18 1pp8 h ALA 73 Ca -0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1pp8 h ALA 73 Cb 0.65 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1pp8 h ALA 73 CO -0.05 -2.28 -0.18 1.25 0.00 0.00 0.00 179.25 177.99 1pp8 h LEU 74 N 0.00 -0.41 1.01 0.00 6.46 0.14 -3.15 115.31 119.35 1pp8 h LEU 74 Ca 0.86 0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 58.59 1pp8 h LEU 74 Cb 3.54 0.11 0.01 0.00 -0.73 0.00 0.00 40.66 43.58 1pp8 h LEU 74 CO -0.01 -0.20 -0.48 -0.37 -0.62 0.00 0.00 178.44 176.76 1pp8 h VAL 75 N -0.68 0.00 0.00 1.05 -1.51 0.46 -2.29 116.25 113.27 1pp8 h VAL 75 Ca -0.05 -0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 1pp8 h VAL 75 Cb 0.38 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.54 1pp8 h VAL 75 CO 0.08 0.00 0.00 0.23 -1.23 0.00 0.00 177.57 176.65 1pp8 n MET 76 N -5.64 0.00 0.00 5.19 2.81 0.44 -4.67 117.12 115.26 1pp8 n MET 76 Ca -0.17 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.72 1pp8 n MET 76 Cb 0.53 -0.97 0.00 0.00 -0.71 0.00 0.00 33.22 32.08 1pp8 n MET 76 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pp8 n GLY 77 N -0.06 1.15 3.86 3.03 0.00 -0.86 -4.94 105.19 107.36 1pp8 n GLY 77 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 2.73 0.35 -0.61 -4.36 -1.19 -4.97 121.20 113.14 1pp8 s ILE 78 Ca 0.00 0.24 -0.24 0.00 -0.26 0.00 0.00 60.65 60.39 1pp8 s ILE 78 Cb 0.00 -3.15 -0.10 0.00 1.25 0.00 0.00 42.46 40.45 1pp8 s ILE 78 CO 0.00 -0.31 0.93 -0.54 0.24 0.00 0.00 174.94 175.26 1pp8 s LYS 79 N -5.38 4.45 0.21 0.37 -0.14 -1.26 -4.39 119.74 113.60 1pp8 s LYS 79 Ca 0.61 1.23 -0.19 0.00 -1.36 0.00 0.00 55.97 56.26 1pp8 s LYS 79 Cb -0.12 -2.61 0.18 0.00 -1.68 0.00 0.00 37.83 33.59 1pp8 s LYS 79 CO 0.52 0.19 1.57 1.25 -0.76 0.00 0.00 175.35 178.12 1pp8 h LEU 80 N 2.80 -1.24 0.00 3.17 6.46 -1.93 -1.41 115.31 123.16 1pp8 h LEU 80 Ca -0.47 0.26 0.00 0.00 -0.12 0.00 0.00 57.88 57.54 1pp8 h LEU 80 Cb 1.19 0.64 0.00 0.00 -0.73 0.00 0.00 40.66 41.76 1pp8 h LEU 80 CO 0.64 -0.30 0.00 -3.20 -0.62 0.00 0.00 178.44 174.96 1pp8 n ASN 81 N -5.45 0.00 -0.26 1.25 2.85 -1.26 -1.00 115.26 111.39 1pp8 n ASN 81 Ca 0.07 0.87 0.20 0.00 -0.11 0.00 0.00 54.58 55.61 1pp8 n ASN 81 Cb 0.37 -0.37 0.37 0.00 1.24 0.00 0.00 39.78 41.39 1pp8 n ASN 81 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1pp8 n THR 82 N -2.27 -0.33 0.29 -0.44 -2.24 -0.67 0.12 114.28 108.75 1pp8 n THR 82 Ca 0.00 1.63 -0.15 0.00 -2.27 0.00 0.00 64.05 63.25 1pp8 n THR 82 Cb 0.00 -2.54 -0.08 0.00 -2.10 0.00 0.00 70.33 65.61 1pp8 n THR 82 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1pp8 h LEU 83 N 0.00 -1.10 -1.67 3.22 6.46 -0.05 0.37 115.31 122.54 1pp8 h LEU 83 Ca 0.59 0.08 0.22 0.00 -0.12 0.00 0.00 57.88 58.65 1pp8 h LEU 83 Cb 1.46 0.35 -0.06 0.00 -0.73 0.00 0.00 40.66 41.68 1pp8 h LEU 83 CO -0.65 -0.58 0.60 0.78 -0.62 0.00 0.00 178.44 177.97 1pp8 h ASN 84 N -0.89 0.27 -0.10 1.25 4.21 0.19 0.13 115.58 120.63 1pp8 h ASN 84 Ca -0.07 0.03 -0.05 0.00 1.21 0.00 0.00 56.30 57.42 1pp8 h ASN 84 Cb 0.75 -0.02 -0.00 0.00 -1.12 0.00 0.00 38.32 37.93 1pp8 h ASN 84 CO 0.00 0.11 -0.14 -0.37 -1.29 0.00 0.00 177.43 175.74 1pp8 h VAL 85 N 0.27 1.38 -0.83 2.81 -1.51 -0.36 -1.21 116.25 116.80 1pp8 h VAL 85 Ca 0.45 -1.37 0.14 0.00 -1.23 0.00 0.00 66.70 64.68 1pp8 h VAL 85 Cb 1.31 2.06 -0.09 0.00 -2.13 0.00 0.00 31.29 32.44 1pp8 h VAL 85 CO -0.12 0.39 0.43 0.78 -1.23 0.00 0.00 177.57 177.81 1pp8 h ASN 86 N -0.17 0.52 0.80 4.19 2.35 0.24 0.74 115.58 124.25 1pp8 h ASN 86 Ca 0.01 0.09 -0.17 0.00 -0.55 0.00 0.00 56.30 55.67 1pp8 h ASN 86 Cb 0.70 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.05 1pp8 h ASN 86 CO 0.03 0.23 -0.82 -0.07 -1.65 0.00 0.00 177.43 175.15 1pp8 h LEU 87 N 0.62 0.02 0.09 1.61 4.07 -1.33 0.30 115.31 120.70 1pp8 h LEU 87 Ca 0.45 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.38 1pp8 h LEU 87 Cb 0.61 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.34 1pp8 h LEU 87 CO -0.35 0.84 -0.05 -0.09 -1.08 0.00 0.00 178.44 177.71 1pp8 h ARG 88 N 0.01 -0.12 -0.34 1.13 9.65 0.10 -1.53 114.38 123.29 1pp8 h ARG 88 Ca -0.01 0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.90 1pp8 h ARG 88 Cb 1.46 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 30.04 1pp8 h ARG 88 CO 0.11 0.13 0.17 -0.44 2.80 0.00 0.00 179.97 182.74 1pp8 h ASP 89 N -0.37 0.25 -0.34 -3.80 3.45 0.57 -3.08 116.42 113.10 1pp8 h ASP 89 Ca -0.01 0.02 -0.17 0.00 0.43 0.00 0.00 57.03 57.30 1pp8 h ASP 89 Cb 0.31 -0.03 -0.10 0.00 -0.56 0.00 0.00 39.33 38.95 1pp8 h ASP 89 CO 0.02 0.19 0.21 0.18 -1.57 0.00 0.00 179.24 178.27 1pp8 n LEU 90 N -4.94 4.17 -1.15 1.55 4.77 0.10 -4.87 117.00 116.62 1pp8 n LEU 90 Ca 0.00 -2.16 -0.14 0.00 -0.03 0.00 0.00 56.01 53.68 1pp8 n LEU 90 Cb 0.08 -0.62 -0.05 0.00 -2.33 0.00 0.00 43.42 40.50 1pp8 n LEU 90 CO 0.31 0.66 -0.14 0.00 -1.33 0.00 0.00 177.39 176.89 1pp8 n ALA 91 N -0.06 -0.24 -1.78 -1.18 0.00 -1.16 -5.00 120.51 111.08 1pp8 n ALA 91 Ca 0.20 0.21 -0.36 0.00 0.00 0.00 0.00 53.44 53.49 1pp8 n ALA 91 Cb 0.89 -1.56 -0.04 0.00 0.00 0.00 0.00 19.45 18.74 1pp8 n ALA 91 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1pp8 s PHE 92 N -2.55 3.27 -0.47 0.00 0.08 -0.58 -4.69 117.98 113.04 1pp8 s PHE 92 Ca 0.00 1.64 -0.05 0.00 0.12 0.00 0.00 56.93 58.64 1pp8 s PHE 92 Cb 0.00 -3.12 0.12 0.00 -0.57 0.00 0.00 43.02 39.46 1pp8 s PHE 92 CO 0.00 -0.60 0.30 -2.00 -0.10 0.00 0.00 175.22 172.82 1pp8 s GLU 93 N -2.51 2.28 -0.14 0.44 2.12 0.56 -4.72 118.70 116.73 1pp8 s GLU 93 Ca 0.58 -1.93 -0.32 0.00 0.36 0.00 0.00 54.97 53.66 1pp8 s GLU 93 Cb -0.22 -3.74 -0.09 0.00 0.26 0.00 0.00 34.13 30.34 1pp8 s GLU 93 CO 0.27 -1.13 2.05 0.94 -0.54 0.00 0.00 175.26 176.85 1pp8 n GLN 94 N 4.51 2.11 -0.17 4.30 7.27 -1.26 -2.92 117.38 131.22 1pp8 n GLN 94 Ca -0.02 0.70 0.11 0.00 0.07 0.00 0.00 57.00 57.86 1pp8 n GLN 94 Cb 0.41 -2.88 0.27 0.00 2.41 0.00 0.00 30.24 30.44 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 8.87 2.84 -3.64 1.69 4.32 -1.19 -4.92 117.00 124.97 1pp8 n LEU 95 Ca 0.27 -1.25 -0.06 0.00 -0.02 0.00 0.00 56.01 54.96 1pp8 n LEU 95 Cb 0.36 -0.22 -0.07 0.00 -1.62 0.00 0.00 43.42 41.86 1pp8 n LEU 95 CO 0.70 0.62 0.70 -1.10 -1.22 0.00 0.00 177.39 177.10 1pp8 s GLN 96 N -1.55 0.44 1.05 3.23 -0.21 -1.26 -4.94 119.66 116.43 1pp8 s GLN 96 Ca 0.36 0.65 -0.13 0.00 0.02 0.00 0.00 55.36 56.26 1pp8 s GLN 96 Cb 0.21 0.16 0.22 0.00 1.00 0.00 0.00 33.01 34.59 1pp8 s GLN 96 CO 0.29 -0.07 1.07 -1.58 -2.12 0.00 0.00 175.29 172.88 1pp8 s HIS 97 N 0.82 1.88 -0.07 0.91 5.65 -1.26 -4.07 115.29 119.15 1pp8 s HIS 97 Ca -0.03 1.03 -0.29 0.00 0.25 0.00 0.00 55.06 56.01 1pp8 s HIS 97 Cb -0.04 -3.22 -0.08 0.00 -1.18 0.00 0.00 32.58 28.06 1pp8 s HIS 97 CO -0.11 -3.21 2.08 -3.47 -0.65 0.00 0.00 174.74 169.37 1pp8 n ASP 98 N -4.41 3.80 -4.14 9.88 -0.08 -1.26 -4.77 116.55 115.57 1pp8 n ASP 98 Ca 0.04 0.63 -0.37 0.00 -1.51 0.00 0.00 54.79 53.58 1pp8 n ASP 98 Cb 0.56 -1.54 -0.11 0.00 2.34 0.00 0.00 41.12 42.38 1pp8 n ASP 98 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1pp8 s LYS 99 N 5.22 2.08 -1.31 -0.67 -0.14 0.73 -4.67 119.74 120.97 1pp8 s LYS 99 Ca 0.94 -1.79 -0.07 0.00 -1.36 0.00 0.00 55.97 53.69 1pp8 s LYS 99 Cb -0.40 -3.62 0.01 0.00 -1.68 0.00 0.00 37.83 32.14 1pp8 s LYS 99 CO 0.40 -1.07 0.92 0.41 -0.76 0.00 0.00 175.35 175.25 1pp8 n GLY 100 N 4.64 -0.43 1.45 -3.33 0.00 -1.26 -1.97 105.19 104.29 1pp8 n GLY 100 Ca -0.03 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.76 2.58 3.83 -0.02 0.00 -1.26 -5.01 105.19 103.55 1pp8 n GLY 101 Ca -0.03 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.26 3.31 -0.01 1.61 0.52 -0.83 -4.33 118.94 117.94 1pp8 s TRP 102 Ca 0.00 1.50 -0.26 0.00 0.02 0.00 0.00 56.10 57.36 1pp8 s TRP 102 Cb 0.00 -2.86 0.06 0.00 -1.15 0.00 0.00 33.47 29.51 1pp8 s TRP 102 CO 0.00 -0.55 0.57 0.95 0.02 0.00 0.00 176.95 177.95 1pp8 s THR 103 N -2.51 0.02 0.46 2.01 -4.23 -0.95 -0.19 115.64 110.25 1pp8 s THR 103 Ca 0.61 -0.14 0.08 0.00 -1.18 0.00 0.00 61.69 61.05 1pp8 s THR 103 Cb -0.12 -0.92 0.01 0.00 1.34 0.00 0.00 72.50 72.81 1pp8 s THR 103 CO 0.30 -0.08 0.49 -1.10 -0.54 0.00 0.00 174.62 173.70 1pp8 s GLN 104 N -1.61 2.52 -0.13 3.99 -0.21 -1.26 -1.24 119.66 121.72 1pp8 s GLN 104 Ca -0.10 -1.57 -0.32 0.00 0.02 0.00 0.00 55.36 53.40 1pp8 s GLN 104 Cb -0.01 -2.46 0.13 0.00 1.00 0.00 0.00 33.01 31.67 1pp8 s GLN 104 CO 0.05 -0.39 1.07 -1.58 -2.12 0.00 0.00 175.29 172.33 1pp8 s TRP 105 N -2.52 -0.24 0.21 0.91 0.52 0.38 -3.15 118.94 115.05 1pp8 s TRP 105 Ca 0.50 0.23 -0.19 0.00 0.02 0.00 0.00 56.10 56.65 1pp8 s TRP 105 Cb -0.05 0.51 0.03 0.00 -1.15 0.00 0.00 33.47 32.81 1pp8 s TRP 105 CO 0.30 -0.33 0.58 -1.59 0.02 0.00 0.00 176.95 175.93 1pp8 s LYS 106 N -2.29 1.46 -0.18 4.98 -2.85 -1.15 -0.54 119.74 119.18 1pp8 s LYS 106 Ca 0.06 -0.83 -0.19 0.00 -1.00 0.00 0.00 55.97 54.01 1pp8 s LYS 106 Cb -0.01 0.55 0.05 0.00 -2.06 0.00 0.00 37.83 36.36 1pp8 s LYS 106 CO -0.05 -0.64 0.52 0.50 0.10 0.00 0.00 175.35 175.79 1pp8 s ARG 107 N -3.86 0.65 0.00 1.78 3.52 -1.26 0.21 118.95 119.98 1pp8 s ARG 107 Ca 0.08 0.65 -0.01 0.00 -0.13 0.00 0.00 55.73 56.32 1pp8 s ARG 107 Cb -0.02 0.31 -0.00 0.00 -1.56 0.00 0.00 34.95 33.68 1pp8 s ARG 107 CO -0.02 -0.10 0.62 -1.13 -0.81 0.00 0.00 175.30 173.86 1pp8 n SER 108 N 2.58 -0.03 0.00 -2.12 3.41 -1.26 -3.33 113.62 112.87 1pp8 n SER 108 Ca -0.14 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 1pp8 n SER 108 Cb 0.56 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1pp8 n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pp8 n GLY 109 N -1.01 -1.54 0.00 5.00 0.00 -1.26 -4.86 105.19 101.52 1pp8 n GLY 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1pp8 n GLY 109 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1pp8 n PHE 110 N -1.20 0.00 0.00 1.61 -0.00 -1.21 -4.84 117.46 111.82 1pp8 n PHE 110 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1pp8 n PHE 110 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 1pp8 n PHE 110 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 1pp8 n THR 111 N 0.00 0.00 0.00 -2.13 -1.04 -1.26 -4.61 114.28 105.24 1pp8 n THR 111 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1pp8 n THR 111 Cb 0.00 -0.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.40 1pp8 n THR 111 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97