#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pp8 n ASP 2 N 0.00 0.00 -0.10 3.17 5.75 -1.26 -4.85 116.55 119.25 1pp8 n ASP 2 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 54.79 54.58 1pp8 n ASP 2 Cb 0.00 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 39.97 1pp8 n ASP 2 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1pp8 n SER 3 N 0.00 2.01 0.17 -1.12 7.64 -1.26 -3.99 113.62 117.06 1pp8 n SER 3 Ca 0.00 0.02 -0.07 0.00 1.01 0.00 0.00 58.87 59.83 1pp8 n SER 3 Cb 0.00 -0.59 -0.03 0.00 -1.01 0.00 0.00 64.21 62.58 1pp8 n SER 3 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1pp8 h ASN 4 N -0.15 -0.38 0.00 6.43 -1.24 -2.01 -2.06 115.58 116.17 1pp8 h ASN 4 Ca -0.55 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.47 1pp8 h ASN 4 Cb 1.87 0.10 0.00 0.00 0.73 0.00 0.00 38.32 41.02 1pp8 h ASN 4 CO -0.10 -0.18 0.14 0.47 -1.29 0.00 0.00 177.43 176.47 1pp8 n ASP 5 N -3.70 0.00 -0.02 1.15 10.43 -1.26 -0.22 116.55 122.92 1pp8 n ASP 5 Ca -0.06 0.16 -0.20 0.00 2.57 0.00 0.00 54.79 57.27 1pp8 n ASP 5 Cb 0.18 -0.16 -0.13 0.00 1.84 0.00 0.00 41.12 42.84 1pp8 n ASP 5 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 1pp8 h LEU 6 N 0.00 0.26 0.62 0.64 5.85 -1.51 -3.12 115.31 118.05 1pp8 h LEU 6 Ca 0.00 -0.85 -0.03 0.00 0.84 0.00 0.00 57.88 57.85 1pp8 h LEU 6 Cb 0.27 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 1pp8 h LEU 6 CO 0.00 1.42 -0.38 -0.08 -0.34 0.00 0.00 178.44 179.06 1pp8 h GLU 7 N -0.58 -0.91 0.00 1.25 4.81 -0.41 -2.28 114.58 116.47 1pp8 h GLU 7 Ca -0.22 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1pp8 h GLU 7 Cb 1.50 0.21 0.00 0.00 0.63 0.00 0.00 28.75 31.09 1pp8 h GLU 7 CO 0.02 -0.61 0.00 0.00 -0.73 0.00 0.00 179.01 177.69 1pp8 n ALA 8 N -2.59 0.00 -0.29 2.92 0.00 -1.16 -0.03 120.51 119.35 1pp8 n ALA 8 Ca -0.12 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.60 1pp8 n ALA 8 Cb 0.39 0.22 0.49 0.00 0.00 0.00 0.00 19.45 20.55 1pp8 n ALA 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pp8 n SER 9 N -1.18 0.24 0.00 0.00 2.88 -1.18 -0.81 113.62 113.58 1pp8 n SER 9 Ca 0.00 1.24 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 1pp8 n SER 9 Cb 0.00 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 1pp8 n SER 9 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1pp8 n PHE 10 N -4.62 0.00 -0.40 0.66 3.72 0.96 -2.11 117.46 115.66 1pp8 n PHE 10 Ca 0.31 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.60 1pp8 n PHE 10 Cb 1.09 -0.44 -0.09 0.00 -0.94 0.00 0.00 39.48 39.09 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 -1.83 -0.65 -0.43 4.37 -2.24 -0.78 0.24 114.28 112.96 1pp8 n THR 11 Ca 0.00 2.36 0.39 0.00 -2.27 0.00 0.00 64.05 64.53 1pp8 n THR 11 Cb 0.00 -2.92 0.74 0.00 -2.10 0.00 0.00 70.33 66.05 1pp8 n THR 11 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1pp8 h SER 12 N 0.00 0.07 0.21 3.42 0.02 -1.05 0.58 113.55 116.79 1pp8 h SER 12 Ca 0.15 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1pp8 h SER 12 Cb 0.39 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1pp8 h SER 12 CO -0.89 -0.01 -0.30 0.54 -1.14 0.00 0.00 176.83 175.03 1pp8 n ARG 13 N -4.21 0.86 -2.68 3.45 1.74 0.65 -4.91 116.66 111.57 1pp8 n ARG 13 Ca 0.31 -0.55 -0.30 0.00 -0.77 0.00 0.00 57.85 56.55 1pp8 n ARG 13 Cb 1.43 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 31.36 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 -2.51 3.72 0.44 0.55 2.01 0.20 -5.04 118.68 118.05 1pp8 s LEU 14 Ca 0.23 1.17 -0.24 0.00 0.01 0.00 0.00 54.13 55.30 1pp8 s LEU 14 Cb 0.19 -4.09 -0.08 0.00 0.01 0.00 0.00 46.19 42.23 1pp8 s LEU 14 CO 0.53 -0.49 1.26 -2.84 1.01 0.00 0.00 176.35 175.82 1pp8 s PRO 15 N -4.13 3.80 0.28 1.29 0.02 -1.26 -4.81 135.00 130.18 1pp8 s PRO 15 Ca 0.52 2.03 -0.02 0.00 0.02 0.00 0.00 61.00 63.55 1pp8 s PRO 15 Cb -0.10 -2.58 0.61 0.00 0.02 0.00 0.00 34.50 32.45 1pp8 s PRO 15 CO 0.35 -0.59 1.46 -2.30 -0.33 0.00 0.00 177.00 175.59 1pp8 n PRO 16 N -0.22 -0.08 0.00 5.54 -0.02 -1.26 -2.18 135.00 136.79 1pp8 n PRO 16 Ca 0.06 1.42 0.00 0.00 -2.02 0.00 0.00 63.50 62.96 1pp8 n PRO 16 Cb 0.45 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1pp8 n PRO 16 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1pp8 n GLU 17 N -5.44 0.00 -0.24 -0.52 4.71 -1.26 -2.03 120.64 115.86 1pp8 n GLU 17 Ca 0.19 0.24 0.08 0.00 -0.01 0.00 0.00 57.16 57.67 1pp8 n GLU 17 Cb 0.63 -1.01 0.17 0.00 -1.01 0.00 0.00 31.44 30.21 1pp8 n GLU 17 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1pp8 n ILE 18 N -0.77 -0.29 -0.20 -3.67 5.41 -0.92 0.39 119.36 119.31 1pp8 n ILE 18 Ca 0.00 1.54 0.01 0.00 1.00 0.00 0.00 62.75 65.30 1pp8 n ILE 18 Cb 0.00 -2.22 0.11 0.00 -0.71 0.00 0.00 39.64 36.82 1pp8 n ILE 18 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1pp8 h VAL 19 N 0.00 0.63 0.24 1.39 2.07 -1.29 0.13 116.25 119.43 1pp8 h VAL 19 Ca 0.39 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.82 1pp8 h VAL 19 Cb 0.75 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1pp8 h VAL 19 CO -0.67 0.04 -0.12 0.00 0.02 0.00 0.00 177.57 176.85 1pp8 h ALA 20 N 1.48 -0.97 -0.79 1.67 0.00 0.81 -2.72 119.26 118.75 1pp8 h ALA 20 Ca 0.31 -0.07 0.26 0.00 0.00 0.00 0.00 54.91 55.41 1pp8 h ALA 20 Cb 0.47 0.13 -0.14 0.00 0.00 0.00 0.00 17.79 18.24 1pp8 h ALA 20 CO -0.41 -0.94 0.18 0.00 0.00 0.00 0.00 179.25 178.08 1pp8 n ALA 21 N -2.19 0.57 0.22 0.00 0.00 -0.07 0.28 120.51 119.32 1pp8 n ALA 21 Ca -0.04 0.83 0.09 0.00 0.00 0.00 0.00 53.44 54.32 1pp8 n ALA 21 Cb 0.13 -0.69 0.50 0.00 0.00 0.00 0.00 19.45 19.39 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 0.00 0.00 0.00 3.38 -0.60 -2.80 115.31 115.29 1pp8 h LEU 22 Ca 0.55 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.52 1pp8 h LEU 22 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1pp8 h LEU 22 CO -0.69 0.24 -0.27 0.50 0.09 0.00 0.00 178.44 178.31 1pp8 h LYS 23 N 0.00 0.00 -6.57 1.13 3.64 0.43 -3.46 116.57 111.74 1pp8 h LYS 23 Ca -0.00 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.05 1pp8 h LYS 23 Cb 0.67 0.00 0.18 0.00 -0.41 0.00 0.00 32.23 32.67 1pp8 h LYS 23 CO 0.03 0.00 -0.32 0.54 -2.27 0.00 0.00 179.45 177.44 1pp8 n ARG 24 N -2.90 -3.19 -4.66 1.90 5.12 -0.97 -5.02 116.66 106.94 1pp8 n ARG 24 Ca 0.03 -0.94 -0.30 0.00 -1.93 0.00 0.00 57.85 54.71 1pp8 n ARG 24 Cb 0.52 -1.74 -0.07 0.00 -1.16 0.00 0.00 32.46 30.01 1pp8 n ARG 24 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1pp8 s LYS 25 N -4.15 2.12 -0.72 5.56 2.20 -1.26 -5.04 119.74 118.45 1pp8 s LYS 25 Ca 0.54 -2.35 -0.26 0.00 -0.36 0.00 0.00 55.97 53.54 1pp8 s LYS 25 Cb -0.11 -1.06 -0.12 0.00 -1.51 0.00 0.00 37.83 35.02 1pp8 s LYS 25 CO 0.50 -0.47 2.41 0.45 -0.36 0.00 0.00 175.35 177.88 1pp8 s SER 26 N -3.78 4.01 0.46 1.43 0.15 -1.26 -4.70 113.70 110.01 1pp8 s SER 26 Ca 0.11 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.07 1pp8 s SER 26 Cb 0.01 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1pp8 s SER 26 CO 0.07 -3.65 0.03 -1.54 1.20 0.00 0.00 173.24 169.35 1pp8 n SER 27 N 18.05 3.22 0.25 5.45 3.41 -1.26 -5.04 113.62 137.70 1pp8 n SER 27 Ca 0.44 -2.98 -0.17 0.00 -0.26 0.00 0.00 58.87 55.90 1pp8 n SER 27 Cb 0.46 0.29 -0.09 0.00 -0.26 0.00 0.00 64.21 64.61 1pp8 n SER 27 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1pp8 h ARG 28 N 0.00 -0.89 -6.24 4.33 -0.00 -1.99 -3.42 114.38 106.17 1pp8 h ARG 28 Ca -0.38 0.06 -0.66 0.00 -0.00 0.00 0.00 59.98 59.01 1pp8 h ARG 28 Cb 1.15 0.20 0.02 0.00 -0.00 0.00 0.00 29.97 31.34 1pp8 h ARG 28 CO 0.62 -0.60 1.01 -3.47 -0.00 0.00 0.00 179.97 177.54 1pp8 n ASP 29 N -5.37 3.04 -0.08 0.08 2.03 -1.26 -4.87 116.55 110.12 1pp8 n ASP 29 Ca -0.11 1.01 0.26 0.00 0.52 0.00 0.00 54.79 56.47 1pp8 n ASP 29 Cb 0.43 -1.29 0.70 0.00 -0.72 0.00 0.00 41.12 40.24 1pp8 n ASP 29 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1pp8 h PRO 30 N 8.34 0.00 -1.63 -0.67 0.11 -1.98 -2.57 132.00 133.60 1pp8 h PRO 30 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1pp8 h PRO 30 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1pp8 h PRO 30 CO 0.95 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.83 1pp8 n ASN 31 N -3.81 3.69 0.00 -2.05 5.03 -1.26 -0.92 115.26 115.94 1pp8 n ASN 31 Ca 0.15 -1.99 0.00 0.00 0.87 0.00 0.00 54.58 53.61 1pp8 n ASN 31 Cb 0.94 -0.73 0.00 0.00 -1.02 0.00 0.00 39.78 38.97 1pp8 n ASN 31 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1pp8 n SER 32 N 1.14 0.00 -4.44 6.41 3.41 -0.97 -4.77 113.62 114.39 1pp8 n SER 32 Ca 0.00 -1.00 -0.39 0.00 -0.26 0.00 0.00 58.87 57.22 1pp8 n SER 32 Cb 0.43 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.26 1pp8 n SER 32 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1pp8 s ARG 33 N 0.00 3.35 0.00 4.33 0.52 -0.09 -4.06 118.95 122.99 1pp8 s ARG 33 Ca 0.00 -0.71 0.00 0.00 -0.52 0.00 0.00 55.73 54.50 1pp8 s ARG 33 Cb 0.00 -3.58 0.00 0.00 0.52 0.00 0.00 34.95 31.89 1pp8 s ARG 33 CO 0.00 -0.42 0.00 0.34 0.02 0.00 0.00 175.30 175.24 1pp8 n PHE 34 N 4.99 0.00 -0.08 -0.53 -0.00 -1.26 0.57 117.46 121.15 1pp8 n PHE 34 Ca -0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.31 1pp8 n PHE 34 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.97 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 -0.22 -0.06 0.09 -7.13 -0.02 -1.26 0.29 135.00 126.70 1pp8 n PRO 35 Ca 0.00 0.30 -0.20 0.00 -2.02 0.00 0.00 63.50 61.58 1pp8 n PRO 35 Cb 0.00 -0.44 -0.12 0.00 -0.02 0.00 0.00 33.50 32.92 1pp8 n PRO 35 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1pp8 h ARG 36 N 0.00 0.54 -0.80 -0.52 2.43 -0.11 -1.27 114.38 114.64 1pp8 h ARG 36 Ca 0.06 -0.73 0.15 0.00 -0.81 0.00 0.00 59.98 58.66 1pp8 h ARG 36 Cb 0.11 0.24 -0.10 0.00 -0.42 0.00 0.00 29.97 29.80 1pp8 h ARG 36 CO -0.19 1.32 0.35 -0.22 -1.51 0.00 0.00 179.97 179.72 1pp8 h LYS 37 N 0.23 0.48 0.04 0.20 3.64 0.48 -0.23 116.57 121.41 1pp8 h LYS 37 Ca -0.17 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1pp8 h LYS 37 Cb 1.89 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.60 1pp8 h LYS 37 CO 0.22 0.32 -0.02 1.25 -2.27 0.00 0.00 179.45 178.95 1pp8 h LEU 38 N 0.49 -0.05 -1.91 5.20 6.46 -0.01 -2.97 115.31 122.51 1pp8 h LEU 38 Ca 0.45 -0.62 0.31 0.00 -0.12 0.00 0.00 57.88 57.90 1pp8 h LEU 38 Cb 0.69 0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.58 1pp8 h LEU 38 CO -0.41 0.68 0.78 -0.74 -0.62 0.00 0.00 178.44 178.13 1pp8 h HIS 39 N -0.87 0.09 0.43 1.25 2.76 -0.96 0.19 115.15 118.04 1pp8 h HIS 39 Ca -0.01 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 1pp8 h HIS 39 Cb 0.67 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.60 1pp8 h HIS 39 CO 0.16 0.01 -0.26 1.98 -1.30 0.00 0.00 177.93 178.52 1pp8 h MET 40 N 0.06 -0.62 -0.95 5.26 1.85 -0.89 0.31 114.93 119.94 1pp8 h MET 40 Ca 0.53 0.04 0.09 0.00 -0.61 0.00 0.00 59.70 59.75 1pp8 h MET 40 Cb 2.02 0.14 -0.11 0.00 0.43 0.00 0.00 31.60 34.08 1pp8 h MET 40 CO -0.05 -0.41 -0.56 -0.11 -0.40 0.00 0.00 176.91 175.38 1pp8 n LEU 41 N -3.94 -1.00 -0.01 3.39 7.94 0.51 -0.23 117.00 123.66 1pp8 n LEU 41 Ca -0.08 1.69 -0.06 0.00 -1.11 0.00 0.00 56.01 56.45 1pp8 n LEU 41 Cb 0.27 -0.22 -0.04 0.00 0.53 0.00 0.00 43.42 43.96 1pp8 n LEU 41 CO 0.19 -1.37 0.50 0.25 -1.11 0.00 0.00 177.39 175.84 1pp8 h LEU 42 N 0.00 -0.69 -1.89 -1.96 6.46 -1.00 0.11 115.31 116.33 1pp8 h LEU 42 Ca 0.15 0.08 0.29 0.00 -0.12 0.00 0.00 57.88 58.29 1pp8 h LEU 42 Cb 0.39 0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.55 1pp8 h LEU 42 CO -0.89 -0.18 0.81 0.74 -0.62 0.00 0.00 178.44 178.30 1pp8 h THR 43 N -0.21 0.36 0.14 1.05 2.02 0.19 -1.46 112.91 114.99 1pp8 h THR 43 Ca 0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 1pp8 h THR 43 Cb 0.26 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1pp8 h THR 43 CO -0.18 0.00 -0.07 0.22 0.37 0.00 0.00 175.52 175.86 1pp8 h TYR 44 N 0.00 -0.18 -1.00 3.16 -0.00 0.12 -3.28 116.97 115.79 1pp8 h TYR 44 Ca 0.48 -0.00 0.29 0.00 -0.00 0.00 0.00 58.73 59.50 1pp8 h TYR 44 Cb 2.10 0.06 -0.04 0.00 -0.00 0.00 0.00 36.73 38.85 1pp8 h TYR 44 CO 0.00 -0.11 0.84 -0.07 -0.00 0.00 0.00 178.16 178.82 1pp8 h LEU 45 N -0.84 0.00 0.00 2.82 3.38 -0.64 1.73 115.31 121.76 1pp8 h LEU 45 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1pp8 h LEU 45 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1pp8 h LEU 45 CO 0.03 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.57 1pp8 n ALA 46 N -2.58 1.00 0.09 1.53 0.00 -0.59 -1.41 120.51 118.55 1pp8 n ALA 46 Ca 0.21 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.66 1pp8 n ALA 46 Cb 1.17 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 19.64 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 -1.48 1.04 -3.32 0.00 3.41 0.59 -4.68 113.62 109.17 1pp8 n SER 47 Ca 0.00 -1.02 -0.26 0.00 -0.26 0.00 0.00 58.87 57.33 1pp8 n SER 47 Cb 0.00 0.12 -0.08 0.00 -0.26 0.00 0.00 64.21 64.00 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 -0.03 2.26 -0.20 4.04 4.05 -0.50 -4.95 115.26 119.94 1pp8 n ASN 48 Ca 0.01 -3.13 -0.05 0.00 0.45 0.00 0.00 54.58 51.86 1pp8 n ASN 48 Cb 0.05 -0.66 -0.05 0.00 1.23 0.00 0.00 39.78 40.36 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 1.06 -0.21 -0.16 1.20 -0.02 -1.24 0.51 135.00 136.15 1pp8 n PRO 49 Ca 0.26 1.06 -0.04 0.00 -2.02 0.00 0.00 63.50 62.76 1pp8 n PRO 49 Cb 0.46 -1.57 -0.04 0.00 -0.02 0.00 0.00 33.50 32.33 1pp8 n PRO 49 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1pp8 n GLN 50 N -4.09 -0.17 -0.29 -0.52 -0.06 -1.26 0.04 117.38 111.03 1pp8 n GLN 50 Ca 0.01 1.19 0.11 0.00 -2.00 0.00 0.00 57.00 56.31 1pp8 n GLN 50 Cb 0.12 -1.77 0.27 0.00 -4.06 0.00 0.00 30.24 24.80 1pp8 n GLN 50 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 1pp8 h LEU 51 N 0.00 0.27 -0.11 1.69 7.12 -0.30 -1.80 115.31 122.19 1pp8 h LEU 51 Ca 0.06 0.15 0.01 0.00 0.13 0.00 0.00 57.88 58.23 1pp8 h LEU 51 Cb 0.16 0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 40.41 1pp8 h LEU 51 CO -0.36 0.01 -0.12 -0.08 -0.13 0.00 0.00 178.44 177.76 1pp8 h GLU 52 N 0.39 -0.07 -0.54 1.25 4.22 0.11 -0.96 114.58 118.99 1pp8 h GLU 52 Ca 0.52 0.00 0.16 0.00 0.08 0.00 0.00 59.36 60.13 1pp8 h GLU 52 Cb 0.94 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 30.10 1pp8 h GLU 52 CO -0.51 -0.05 0.07 -1.91 -2.18 0.00 0.00 179.01 174.44 1pp8 n GLU 53 N -3.32 -0.04 0.13 1.92 2.13 -0.68 0.22 120.64 121.01 1pp8 n GLU 53 Ca -0.01 0.79 0.13 0.00 0.66 0.00 0.00 57.16 58.73 1pp8 n GLU 53 Cb 0.07 -1.29 0.40 0.00 0.27 0.00 0.00 31.44 30.89 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 0.00 0.00 0.00 5.31 5.08 -1.24 -3.36 114.58 120.38 1pp8 h GLU 54 Ca 0.35 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.47 1pp8 h GLU 54 Cb 0.79 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 1pp8 h GLU 54 CO -0.48 0.00 -1.76 -0.89 -1.00 0.00 0.00 179.01 174.87 1pp8 n ILE 55 N -2.37 1.07 -1.16 3.13 5.41 0.61 -5.06 119.36 120.98 1pp8 n ILE 55 Ca 0.05 -0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.63 1pp8 n ILE 55 Cb 0.41 -1.81 0.00 0.00 -0.71 0.00 0.00 39.64 37.53 1pp8 n ILE 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pp8 n GLY 56 N 1.92 -2.48 3.02 7.39 0.00 0.18 -4.32 105.19 110.89 1pp8 n GLY 56 Ca -0.31 -0.51 0.05 0.00 0.00 0.00 0.00 46.02 45.25 1pp8 n GLY 56 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pp8 s LEU 57 N 0.00 -0.12 0.26 0.99 0.20 -1.23 -1.79 118.68 116.99 1pp8 s LEU 57 Ca 0.00 -0.01 -0.12 0.00 0.69 0.00 0.00 54.13 54.70 1pp8 s LEU 57 Cb 0.00 0.81 -0.00 0.00 -0.43 0.00 0.00 46.19 46.57 1pp8 s LEU 57 CO 0.00 -0.02 0.49 -0.94 -0.29 0.00 0.00 176.35 175.59 1pp8 s SER 58 N 2.70 0.03 0.36 3.68 1.04 0.69 -4.82 113.70 117.38 1pp8 s SER 58 Ca 0.27 -1.00 -0.25 0.00 0.48 0.00 0.00 55.95 55.45 1pp8 s SER 58 Cb 0.01 0.61 -0.10 0.00 0.10 0.00 0.00 66.02 66.64 1pp8 s SER 58 CO -0.21 -1.18 0.99 0.26 0.98 0.00 0.00 173.24 174.09 1pp8 s TRP 59 N -3.84 3.47 -0.07 5.02 0.23 -1.26 0.38 118.94 122.88 1pp8 s TRP 59 Ca 0.23 1.70 -0.10 0.00 -2.03 0.00 0.00 56.10 55.90 1pp8 s TRP 59 Cb -0.01 -3.01 -0.03 0.00 0.03 0.00 0.00 33.47 30.45 1pp8 s TRP 59 CO 0.10 -0.20 -0.20 -0.89 0.96 0.00 0.00 176.95 176.73 1pp8 n ILE 60 N 0.20 1.30 -3.25 2.03 -0.00 0.05 -4.82 119.36 114.87 1pp8 n ILE 60 Ca 0.04 0.25 -0.01 0.00 -0.00 0.00 0.00 62.75 63.02 1pp8 n ILE 60 Cb 0.50 -2.01 0.00 0.00 -0.00 0.00 0.00 39.64 38.13 1pp8 n ILE 60 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 1pp8 n SER 61 N -3.98 0.60 -0.15 4.38 2.88 -1.01 -4.97 113.62 111.36 1pp8 n SER 61 Ca -0.08 -1.11 0.13 0.00 -1.33 0.00 0.00 58.87 56.48 1pp8 n SER 61 Cb 0.30 -0.02 0.41 0.00 -0.75 0.00 0.00 64.21 64.16 1pp8 n SER 61 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1pp8 n ASP 62 N -2.50 0.74 0.00 -3.46 -0.08 -1.26 -3.90 116.55 106.09 1pp8 n ASP 62 Ca 0.01 -0.62 0.00 0.00 -1.51 0.00 0.00 54.79 52.67 1pp8 n ASP 62 Cb 0.04 0.09 0.00 0.00 2.34 0.00 0.00 41.12 43.59 1pp8 n ASP 62 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1pp8 n THR 63 N -0.94 0.00 -4.41 5.18 -2.24 -1.26 -2.68 114.28 107.93 1pp8 n THR 63 Ca 0.11 -0.21 -0.25 0.00 -2.27 0.00 0.00 64.05 61.43 1pp8 n THR 63 Cb 0.33 1.48 -0.11 0.00 -2.10 0.00 0.00 70.33 69.93 1pp8 n THR 63 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1pp8 s GLU 64 N -0.07 1.49 0.13 -0.78 2.02 -1.25 -4.63 118.70 115.61 1pp8 s GLU 64 Ca 0.00 -1.55 -0.19 0.00 0.02 0.00 0.00 54.97 53.26 1pp8 s GLU 64 Cb 0.00 -1.70 0.05 0.00 0.10 0.00 0.00 34.13 32.57 1pp8 s GLU 64 CO 0.00 0.35 0.47 -0.59 0.02 0.00 0.00 175.26 175.51 1pp8 s PHE 65 N -1.93 -0.32 0.14 1.61 -0.71 -0.70 -0.77 117.98 115.30 1pp8 s PHE 65 Ca 0.21 0.08 0.08 0.00 -1.04 0.00 0.00 56.93 56.26 1pp8 s PHE 65 Cb -0.07 0.35 -0.04 0.00 -1.21 0.00 0.00 43.02 42.06 1pp8 s PHE 65 CO 0.10 -0.74 -0.17 -1.59 -1.34 0.00 0.00 175.22 171.48 1pp8 s LYS 66 N -3.64 1.17 0.05 1.99 -2.85 0.16 0.04 119.74 116.67 1pp8 s LYS 66 Ca 0.01 -1.32 -0.27 0.00 -1.00 0.00 0.00 55.97 53.40 1pp8 s LYS 66 Cb 0.01 -1.19 0.09 0.00 -2.06 0.00 0.00 37.83 34.68 1pp8 s LYS 66 CO -0.11 0.24 0.77 0.00 0.10 0.00 0.00 175.35 176.35 1pp8 s MET 67 N -2.64 1.01 -0.88 1.78 0.23 -0.39 -0.22 119.30 118.19 1pp8 s MET 67 Ca 0.12 -0.33 -0.06 0.00 -1.03 0.00 0.00 55.69 54.39 1pp8 s MET 67 Cb -0.06 0.47 0.22 0.00 -1.53 0.00 0.00 34.83 33.93 1pp8 s MET 67 CO 0.05 -0.43 0.78 0.15 -2.03 0.00 0.00 175.02 173.54 1pp8 s LYS 68 N -3.23 3.40 0.06 3.16 1.02 -0.74 -2.56 119.74 120.85 1pp8 s LYS 68 Ca 0.03 -2.98 -0.11 0.00 0.02 0.00 0.00 55.97 52.92 1pp8 s LYS 68 Cb -0.01 -4.13 -0.03 0.00 -0.52 0.00 0.00 37.83 33.15 1pp8 s LYS 68 CO -0.10 -1.25 0.64 1.63 -0.92 0.00 0.00 175.35 175.36 1pp8 n LYS 69 N 2.92 -0.16 -0.32 1.68 5.02 -1.26 0.64 118.16 126.68 1pp8 n LYS 69 Ca 0.18 0.63 0.30 0.00 -2.02 0.00 0.00 58.31 57.39 1pp8 n LYS 69 Cb 0.39 -0.92 0.55 0.00 -0.02 0.00 0.00 35.03 35.03 1pp8 n LYS 69 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1pp8 n LYS 70 N -4.16 -0.06 0.06 1.97 4.81 -1.26 -0.69 118.16 118.83 1pp8 n LYS 70 Ca 0.01 1.37 -0.06 0.00 -0.87 0.00 0.00 58.31 58.76 1pp8 n LYS 70 Cb 0.09 -2.43 -0.04 0.00 0.02 0.00 0.00 35.03 32.67 1pp8 n LYS 70 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1pp8 h ASN 71 N 0.00 -0.22 -0.12 3.14 2.35 -0.10 -2.98 115.58 117.65 1pp8 h ASN 71 Ca 0.81 -0.13 0.02 0.00 -0.55 0.00 0.00 56.30 56.45 1pp8 h ASN 71 Cb 2.12 0.06 -0.03 0.00 0.05 0.00 0.00 38.32 40.52 1pp8 h ASN 71 CO -0.78 0.29 -0.18 0.58 -1.65 0.00 0.00 177.43 175.69 1pp8 h VAL 72 N -1.03 0.00 0.00 2.81 2.07 -0.71 1.75 116.25 121.14 1pp8 h VAL 72 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1pp8 h VAL 72 Cb 0.34 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1pp8 h VAL 72 CO 0.04 0.00 0.80 0.00 0.02 0.00 0.00 177.57 178.43 1pp8 h ALA 73 N -0.90 1.71 0.15 1.67 0.00 -1.17 0.47 119.26 121.18 1pp8 h ALA 73 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.65 1pp8 h ALA 73 Cb 0.20 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1pp8 h ALA 73 CO -0.19 -0.71 -1.42 -0.07 0.00 0.00 0.00 179.25 176.87 1pp8 h LEU 74 N 0.00 0.49 0.07 0.00 -0.00 0.28 -2.91 115.31 113.24 1pp8 h LEU 74 Ca 0.00 -0.90 -0.00 0.00 -0.00 0.00 0.00 57.88 56.98 1pp8 h LEU 74 Cb 1.60 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 42.10 1pp8 h LEU 74 CO 0.00 1.64 -0.04 0.58 -0.00 0.00 0.00 178.44 180.62 1pp8 h VAL 75 N -0.17 1.04 0.00 1.22 2.07 0.91 -1.96 116.25 119.37 1pp8 h VAL 75 Ca -0.29 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1pp8 h VAL 75 Cb 1.86 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1pp8 h VAL 75 CO 0.12 0.10 0.00 0.23 0.02 0.00 0.00 177.57 178.04 1pp8 n MET 76 N -5.05 0.17 -0.90 1.57 2.81 -0.43 -4.82 117.12 110.47 1pp8 n MET 76 Ca -0.08 0.09 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1pp8 n MET 76 Cb 0.14 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 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 -0.62 0.19 3.94 3.03 0.00 -0.74 -4.97 105.19 106.01 1pp8 n GLY 77 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.45 3.63 0.55 -0.61 -4.36 -1.11 -5.04 121.20 112.81 1pp8 s ILE 78 Ca 0.00 -1.15 -0.19 0.00 -0.26 0.00 0.00 60.65 59.04 1pp8 s ILE 78 Cb 0.00 -3.25 -0.06 0.00 1.25 0.00 0.00 42.46 40.41 1pp8 s ILE 78 CO 0.00 -0.13 1.12 -0.54 0.24 0.00 0.00 174.94 175.63 1pp8 s LYS 79 N -4.13 3.34 0.14 0.37 3.01 -1.26 -4.41 119.74 116.79 1pp8 s LYS 79 Ca 0.45 1.58 -0.18 0.00 -1.01 0.00 0.00 55.97 56.81 1pp8 s LYS 79 Cb -0.08 -2.01 0.02 0.00 -1.01 0.00 0.00 37.83 34.76 1pp8 s LYS 79 CO 0.29 -0.86 1.72 1.25 0.51 0.00 0.00 175.35 178.27 1pp8 h LEU 80 N 1.12 -0.08 -0.00 3.17 7.12 -1.94 -0.51 115.31 124.19 1pp8 h LEU 80 Ca -0.50 0.06 0.00 0.00 0.13 0.00 0.00 57.88 57.57 1pp8 h LEU 80 Cb 1.26 0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 41.49 1pp8 h LEU 80 CO 0.57 -0.01 -0.01 -1.13 -0.13 0.00 0.00 178.44 177.73 1pp8 h ASN 81 N 0.10 -0.02 -0.85 1.25 -0.00 -2.00 -0.90 115.58 113.16 1pp8 h ASN 81 Ca 0.13 0.00 0.22 0.00 -0.00 0.00 0.00 56.30 56.65 1pp8 h ASN 81 Cb 0.17 0.01 -0.14 0.00 -0.00 0.00 0.00 38.32 38.35 1pp8 h ASN 81 CO -0.21 -0.00 0.14 0.71 -0.00 0.00 0.00 177.43 178.06 1pp8 h THR 82 N -0.00 0.28 -0.72 -3.57 1.35 -1.87 1.07 112.91 109.45 1pp8 h THR 82 Ca 0.00 -0.05 0.10 0.00 -0.55 0.00 0.00 66.41 65.91 1pp8 h THR 82 Cb 0.01 0.12 -0.07 0.00 -1.73 0.00 0.00 68.15 66.47 1pp8 h THR 82 CO -0.01 0.03 0.36 0.25 -0.25 0.00 0.00 175.52 175.90 1pp8 h LEU 83 N 0.15 0.45 -1.35 3.87 6.46 0.18 0.94 115.31 126.02 1pp8 h LEU 83 Ca 0.51 0.07 0.03 0.00 -0.12 0.00 0.00 57.88 58.37 1pp8 h LEU 83 Cb 1.01 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.89 1pp8 h LEU 83 CO -0.69 0.25 0.46 0.78 -0.62 0.00 0.00 178.44 178.62 1pp8 h ASN 84 N 0.59 0.73 0.17 1.25 4.21 0.24 -0.62 115.58 122.15 1pp8 h ASN 84 Ca 0.36 -0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.85 1pp8 h ASN 84 Cb 0.40 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.43 1pp8 h ASN 84 CO -0.28 0.50 -0.08 1.62 -1.29 0.00 0.00 177.43 177.90 1pp8 h VAL 85 N 0.85 0.72 -0.99 2.81 3.04 0.08 -2.89 116.25 119.87 1pp8 h VAL 85 Ca 0.28 -1.13 0.37 0.00 -1.01 0.00 0.00 66.70 65.20 1pp8 h VAL 85 Cb 0.06 1.24 -0.17 0.00 -2.01 0.00 0.00 31.29 30.42 1pp8 h VAL 85 CO -0.08 0.20 0.49 0.78 -1.01 0.00 0.00 177.57 177.95 1pp8 h ASN 86 N -0.92 0.30 -0.94 3.17 2.35 -0.92 0.94 115.58 119.55 1pp8 h ASN 86 Ca -0.02 0.24 0.09 0.00 -0.55 0.00 0.00 56.30 56.06 1pp8 h ASN 86 Cb 0.49 0.25 -0.08 0.00 0.05 0.00 0.00 38.32 39.03 1pp8 h ASN 86 CO 0.04 -0.32 0.59 -0.07 -1.65 0.00 0.00 177.43 176.01 1pp8 h LEU 87 N 0.12 0.88 0.08 1.61 3.38 -0.91 -0.83 115.31 119.63 1pp8 h LEU 87 Ca 0.78 0.04 -0.37 0.00 0.09 0.00 0.00 57.88 58.41 1pp8 h LEU 87 Cb 1.92 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 42.49 1pp8 h LEU 87 CO -0.72 0.51 -2.15 -2.11 0.09 0.00 0.00 178.44 174.05 1pp8 n ARG 88 N -4.62 0.72 -0.26 1.13 1.85 0.29 -0.98 116.66 114.78 1pp8 n ARG 88 Ca 0.16 0.23 0.07 0.00 -1.00 0.00 0.00 57.85 57.31 1pp8 n ARG 88 Cb 0.28 -1.64 0.20 0.00 -1.05 0.00 0.00 32.46 30.24 1pp8 n ARG 88 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 1pp8 h ASP 89 N 0.02 -0.12 -0.37 2.89 3.45 -0.46 0.63 116.42 122.46 1pp8 h ASP 89 Ca -0.48 0.17 -0.12 0.00 0.43 0.00 0.00 57.03 57.03 1pp8 h ASP 89 Cb 1.97 0.27 -0.07 0.00 -0.56 0.00 0.00 39.33 40.94 1pp8 h ASP 89 CO 0.02 -0.12 0.16 0.18 -1.57 0.00 0.00 179.24 177.91 1pp8 n LEU 90 N -5.24 4.02 -3.24 1.55 4.77 -0.33 -4.88 117.00 113.65 1pp8 n LEU 90 Ca 0.15 -2.08 -0.18 0.00 -0.03 0.00 0.00 56.01 53.88 1pp8 n LEU 90 Cb 0.51 -0.63 0.08 0.00 -2.33 0.00 0.00 43.42 41.06 1pp8 n LEU 90 CO 0.08 0.60 0.15 0.00 -1.33 0.00 0.00 177.39 176.89 1pp8 n ALA 91 N 0.01 -1.57 -2.66 -1.18 0.00 0.22 -5.01 120.51 110.32 1pp8 n ALA 91 Ca 0.21 0.12 -0.37 0.00 0.00 0.00 0.00 53.44 53.39 1pp8 n ALA 91 Cb 0.88 -3.37 -0.06 0.00 0.00 0.00 0.00 19.45 16.90 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 -3.31 3.57 -0.05 0.00 0.08 -0.16 -4.58 117.98 113.54 1pp8 s PHE 92 Ca 0.21 0.80 -0.21 0.00 0.12 0.00 0.00 56.93 57.86 1pp8 s PHE 92 Cb -0.09 -2.35 -0.05 0.00 -0.57 0.00 0.00 43.02 39.96 1pp8 s PHE 92 CO 0.66 0.39 0.59 -1.21 -0.10 0.00 0.00 175.22 175.55 1pp8 s GLU 93 N -0.10 4.34 -1.15 0.44 2.02 0.29 -4.48 118.70 120.07 1pp8 s GLU 93 Ca 0.21 0.70 -0.07 0.00 0.02 0.00 0.00 54.97 55.82 1pp8 s GLU 93 Cb -0.15 -3.39 0.25 0.00 0.10 0.00 0.00 34.13 30.95 1pp8 s GLU 93 CO 0.09 0.25 1.50 0.94 0.02 0.00 0.00 175.26 178.06 1pp8 n GLN 94 N 3.19 3.96 -0.05 1.61 7.27 -1.26 -2.09 117.38 130.00 1pp8 n GLN 94 Ca -0.06 -4.21 0.00 0.00 0.07 0.00 0.00 57.00 52.81 1pp8 n GLN 94 Cb 0.51 -2.68 0.00 0.00 2.41 0.00 0.00 30.24 30.48 1pp8 n GLN 94 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 1pp8 n LEU 95 N 2.71 1.44 -3.64 1.69 -0.00 -1.03 -4.60 117.00 113.57 1pp8 n LEU 95 Ca 0.30 -0.69 0.00 0.00 -0.00 0.00 0.00 56.01 55.62 1pp8 n LEU 95 Cb 0.36 -0.27 -0.06 0.00 -0.00 0.00 0.00 43.42 43.45 1pp8 n LEU 95 CO 0.69 0.25 0.85 -1.58 -0.00 0.00 0.00 177.39 177.60 1pp8 s GLN 96 N 0.76 0.20 0.59 1.47 0.74 -1.25 -4.84 119.66 117.33 1pp8 s GLN 96 Ca 0.00 0.35 0.29 0.00 0.05 0.00 0.00 55.36 56.06 1pp8 s GLN 96 Cb 0.00 0.04 1.43 0.00 1.10 0.00 0.00 33.01 35.58 1pp8 s GLN 96 CO 0.00 -0.04 1.83 0.45 -0.55 0.00 0.00 175.29 176.98 1pp8 h HIS 97 N 5.60 0.00 0.00 1.67 3.86 -1.93 -3.34 115.15 121.00 1pp8 h HIS 97 Ca -0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 1pp8 h HIS 97 Cb 1.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.64 1pp8 h HIS 97 CO 0.15 0.00 0.00 -3.47 0.86 0.00 0.00 177.93 175.47 1pp8 n ASP 98 N -3.70 0.00 -4.25 2.45 -0.08 -1.26 -5.02 116.55 104.69 1pp8 n ASP 98 Ca 0.11 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 53.02 1pp8 n ASP 98 Cb 0.79 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 44.21 1pp8 n ASP 98 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1pp8 n LYS 99 N 0.00 2.16 -3.11 -0.67 5.02 -1.00 -4.42 118.16 116.13 1pp8 n LYS 99 Ca 0.00 -2.56 -0.17 0.00 -2.02 0.00 0.00 58.31 53.56 1pp8 n LYS 99 Cb 0.00 -3.43 0.02 0.00 -0.02 0.00 0.00 35.03 31.60 1pp8 n LYS 99 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pp8 n GLY 100 N 5.18 -0.87 3.65 0.72 0.00 -1.26 -3.11 105.19 109.50 1pp8 n GLY 100 Ca 0.48 1.13 0.00 0.00 0.00 0.00 0.00 46.02 47.63 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 -0.48 1.41 3.77 -0.02 0.00 -1.26 -4.99 105.19 103.62 1pp8 n GLY 101 Ca 0.02 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.11 2.61 -0.26 1.61 0.52 -1.18 -4.18 118.94 117.95 1pp8 s TRP 102 Ca 0.00 1.55 -0.25 0.00 0.02 0.00 0.00 56.10 57.42 1pp8 s TRP 102 Cb 0.00 -3.10 0.09 0.00 -1.15 0.00 0.00 33.47 29.31 1pp8 s TRP 102 CO 0.00 -1.73 0.84 0.99 0.02 0.00 0.00 176.95 177.06 1pp8 s THR 103 N -2.65 0.00 0.17 2.01 2.01 -1.06 -2.37 115.64 113.75 1pp8 s THR 103 Ca 0.64 0.00 0.09 0.00 0.31 0.00 0.00 61.69 62.73 1pp8 s THR 103 Cb -0.19 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 1pp8 s THR 103 CO 0.49 0.00 -0.11 -1.10 -0.69 0.00 0.00 174.62 173.22 1pp8 s GLN 104 N 0.23 2.01 0.35 4.92 -0.21 -1.26 -1.26 119.66 124.44 1pp8 s GLN 104 Ca 0.01 -1.26 -0.08 0.00 0.02 0.00 0.00 55.36 54.05 1pp8 s GLN 104 Cb -0.05 -2.15 0.02 0.00 1.00 0.00 0.00 33.01 31.84 1pp8 s GLN 104 CO -0.01 0.44 0.58 -1.58 -2.12 0.00 0.00 175.29 172.60 1pp8 s TRP 105 N -1.63 0.69 0.15 0.91 0.52 0.11 -2.47 118.94 117.22 1pp8 s TRP 105 Ca 0.24 -1.08 -0.24 0.00 0.02 0.00 0.00 56.10 55.04 1pp8 s TRP 105 Cb -0.09 0.25 0.07 0.00 -1.15 0.00 0.00 33.47 32.55 1pp8 s TRP 105 CO 0.14 -1.27 0.68 -1.59 0.02 0.00 0.00 176.95 174.93 1pp8 s LYS 106 N -2.88 1.29 0.05 4.98 -2.85 -0.89 -1.72 119.74 117.72 1pp8 s LYS 106 Ca 0.25 -0.54 -0.11 0.00 -1.00 0.00 0.00 55.97 54.56 1pp8 s LYS 106 Cb -0.02 0.55 0.01 0.00 -2.06 0.00 0.00 37.83 36.31 1pp8 s LYS 106 CO 0.16 -0.57 0.24 0.50 0.10 0.00 0.00 175.35 175.79 1pp8 s ARG 107 N -3.66 0.77 0.00 1.78 3.52 -1.26 0.11 118.95 120.21 1pp8 s ARG 107 Ca 0.04 -0.63 0.00 0.00 -0.13 0.00 0.00 55.73 55.01 1pp8 s ARG 107 Cb -0.02 0.33 0.00 0.00 -1.56 0.00 0.00 34.95 33.70 1pp8 s ARG 107 CO -0.08 -0.24 0.99 0.45 -0.81 0.00 0.00 175.30 175.60 1pp8 n SER 108 N 0.51 0.00 0.20 -2.12 2.88 -1.26 -3.10 113.62 110.72 1pp8 n SER 108 Ca -0.18 0.99 0.07 0.00 -1.33 0.00 0.00 58.87 58.42 1pp8 n SER 108 Cb 0.60 -0.49 0.59 0.00 -0.75 0.00 0.00 64.21 64.16 1pp8 n SER 108 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1pp8 h GLY 109 N 0.00 0.14 -5.89 0.46 0.00 -1.93 -3.44 103.07 92.41 1pp8 h GLY 109 Ca 0.00 -0.05 -0.59 0.00 0.00 0.00 0.00 47.33 46.69 1pp8 h GLY 109 CO 0.00 0.05 1.22 0.33 0.00 0.00 0.00 176.54 178.14 1pp8 n PHE 110 N -4.52 2.29 -3.46 5.60 -0.00 -1.18 -3.41 117.46 112.77 1pp8 n PHE 110 Ca -0.01 -0.12 -0.14 0.00 -0.00 0.00 0.00 57.45 57.18 1pp8 n PHE 110 Cb 0.09 -2.71 -0.04 0.00 -0.00 0.00 0.00 39.48 36.82 1pp8 n PHE 110 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.76 176.68 1pp8 s THR 111 N 4.98 0.00 0.07 -2.13 -1.32 -0.99 -4.52 115.64 111.73 1pp8 s THR 111 Ca 0.94 -0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 61.33 1pp8 s THR 111 Cb -0.58 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 69.44 1pp8 s THR 111 CO 0.47 -0.00 0.54 -1.14 -2.21 0.00 0.00 174.62 172.27 1pp8 n ARG 112 N 0.14 -0.11 -2.42 7.08 0.63 -1.09 -1.80 116.66 119.08 1pp8 n ARG 112 Ca -0.18 0.53 -0.23 0.00 -0.92 0.00 0.00 57.85 57.05 1pp8 n ARG 112 Cb 0.62 -0.79 0.01 0.00 0.45 0.00 0.00 32.46 32.75 1pp8 n ARG 112 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1pp8 n ASN 113 N -4.48 4.25 0.00 6.15 6.94 -1.26 -4.89 115.26 121.96 1pp8 n ASN 113 Ca 0.02 -3.54 0.00 0.00 -0.02 0.00 0.00 54.58 51.04 1pp8 n ASN 113 Cb 0.12 -0.44 0.00 0.00 -2.36 0.00 0.00 39.78 37.09 1pp8 n ASN 113 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1pp8 n SER 114 N -0.48 0.00 -3.95 0.53 3.41 -0.75 -5.13 113.62 107.25 1pp8 n SER 114 Ca 0.35 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.66 1pp8 n SER 114 Cb 0.75 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.55 1pp8 n SER 114 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1pp8 s VAL 115 N -0.73 1.66 0.24 -3.33 1.01 -1.26 -2.34 120.40 115.66 1pp8 s VAL 115 Ca 0.00 -1.44 -0.22 0.00 0.00 0.00 0.00 61.98 60.32 1pp8 s VAL 115 Cb 0.00 -1.97 -0.09 0.00 0.00 0.00 0.00 36.38 34.32 1pp8 s VAL 115 CO 0.00 -0.20 0.79 0.12 0.00 0.00 0.00 175.10 175.80 1pp8 s PHE 116 N 1.31 3.68 -0.00 5.22 2.19 -1.22 -4.96 117.98 124.20 1pp8 s PHE 116 Ca -0.03 1.52 -0.00 0.00 0.33 0.00 0.00 56.93 58.75 1pp8 s PHE 116 Cb -0.19 -2.71 -0.00 0.00 -1.31 0.00 0.00 43.02 38.81 1pp8 s PHE 116 CO -0.08 0.32 -0.00 0.39 1.83 0.00 0.00 175.22 177.68 1pp8 n GLU 117 N 0.76 0.00 0.00 10.12 -0.58 -1.26 -4.37 120.64 125.32 1pp8 n GLU 117 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1pp8 n GLU 117 Cb 0.51 -0.38 0.00 0.00 -0.57 0.00 0.00 31.44 30.99 1pp8 n GLU 117 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40