#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ch4 n LYS 9 N 0.00 0.00 -3.45 1.96 4.76 -1.26 -4.84 118.16 115.32 2ch4 n LYS 9 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 2ch4 n LYS 9 Cb 0.00 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.14 2ch4 n LYS 9 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2ch4 s GLU 10 N 3.32 0.47 0.06 1.97 2.12 -1.26 -3.56 118.70 121.82 2ch4 s GLU 10 Ca 0.00 1.05 0.04 0.00 0.36 0.00 0.00 54.97 56.41 2ch4 s GLU 10 Cb 0.00 0.38 -0.03 0.00 0.26 0.00 0.00 34.13 34.75 2ch4 s GLU 10 CO 0.00 -0.42 -0.11 -0.59 -0.54 0.00 0.00 175.26 173.60 2ch4 s PHE 11 N 2.75 0.99 0.29 5.30 -0.00 -1.20 -5.03 117.98 121.07 2ch4 s PHE 11 Ca 0.06 -0.48 -0.13 0.00 -0.00 0.00 0.00 56.93 56.38 2ch4 s PHE 11 Cb -0.14 -0.57 -0.08 0.00 -0.00 0.00 0.00 43.02 42.24 2ch4 s PHE 11 CO -0.17 -0.00 0.66 -1.21 -0.00 0.00 0.00 175.22 174.50 2ch4 s GLU 12 N -1.70 3.92 0.05 1.99 2.02 -1.26 -1.57 118.70 122.14 2ch4 s GLU 12 Ca -0.05 0.51 -0.08 0.00 0.02 0.00 0.00 54.97 55.37 2ch4 s GLU 12 Cb -0.10 -2.51 -0.00 0.00 0.10 0.00 0.00 34.13 31.61 2ch4 s GLU 12 CO 0.01 0.22 0.16 0.54 0.02 0.00 0.00 175.26 176.21 2ch4 s VAL 13 N -1.92 0.13 -0.26 2.63 0.11 0.35 -4.22 120.40 117.20 2ch4 s VAL 13 Ca 0.51 -1.05 -0.13 0.00 -2.93 0.00 0.00 61.98 58.38 2ch4 s VAL 13 Cb -0.11 -1.02 -0.04 0.00 -1.53 0.00 0.00 36.38 33.68 2ch4 s VAL 13 CO 0.19 -0.58 0.29 -0.22 -3.33 0.00 0.00 175.10 171.45 2ch4 s LEU 14 N -2.29 4.05 -0.22 2.54 2.96 -0.30 0.88 118.68 126.30 2ch4 s LEU 14 Ca -0.02 0.19 -0.08 0.00 -0.22 0.00 0.00 54.13 53.99 2ch4 s LEU 14 Cb 0.01 -2.29 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 2ch4 s LEU 14 CO -0.06 -0.10 0.10 -0.55 -1.32 0.00 0.00 176.35 174.42 2ch4 s SER 15 N 1.56 5.65 0.17 3.68 0.15 0.39 -1.33 113.70 123.97 2ch4 s SER 15 Ca 0.12 0.01 0.01 0.00 0.70 0.00 0.00 55.95 56.79 2ch4 s SER 15 Cb -0.15 -2.00 -0.05 0.00 -1.71 0.00 0.00 66.02 62.11 2ch4 s SER 15 CO 0.09 0.08 0.02 0.72 1.20 0.00 0.00 173.24 175.36 2ch4 s PHE 16 N 0.92 1.17 0.16 3.44 -0.71 -0.43 0.20 117.98 122.74 2ch4 s PHE 16 Ca 0.05 -1.08 0.11 0.00 -1.04 0.00 0.00 56.93 54.97 2ch4 s PHE 16 Cb -0.14 -0.67 -0.04 0.00 -1.21 0.00 0.00 43.02 40.97 2ch4 s PHE 16 CO 0.03 -0.28 -0.24 -1.21 -1.34 0.00 0.00 175.22 172.17 2ch4 s GLU 17 N -3.95 1.43 -0.35 1.99 2.02 -0.48 -0.82 118.70 118.54 2ch4 s GLU 17 Ca 0.25 -1.43 0.01 0.00 0.02 0.00 0.00 54.97 53.82 2ch4 s GLU 17 Cb 0.06 -1.79 0.14 0.00 0.10 0.00 0.00 34.13 32.65 2ch4 s GLU 17 CO 0.04 0.40 0.29 0.42 0.02 0.00 0.00 175.26 176.43 2ch4 s ILE 18 N -1.45 -0.17 -0.84 -1.63 1.01 -1.04 -2.61 121.20 114.46 2ch4 s ILE 18 Ca 0.17 -1.14 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 2ch4 s ILE 18 Cb -0.09 -0.89 -0.05 0.00 0.01 0.00 0.00 42.46 41.45 2ch4 s ILE 18 CO 0.08 -0.71 0.74 -0.67 0.00 0.00 0.00 174.94 174.38 2ch4 n ASP 19 N 4.41 -6.07 0.00 3.58 4.64 -1.26 -3.26 116.55 118.59 2ch4 n ASP 19 Ca 0.08 -0.51 0.00 0.00 -1.38 0.00 0.00 54.79 52.98 2ch4 n ASP 19 Cb 0.42 -4.50 0.00 0.00 -1.04 0.00 0.00 41.12 36.01 2ch4 n ASP 19 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 2ch4 n GLU 20 N -2.75 0.00 -3.96 -0.67 1.02 -1.26 -4.93 120.64 108.10 2ch4 n GLU 20 Ca -0.05 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.81 2ch4 n GLU 20 Cb 0.59 -2.38 -0.17 0.00 -0.02 0.00 0.00 31.44 29.46 2ch4 n GLU 20 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2ch4 s GLN 21 N -0.02 1.86 0.24 3.49 -2.07 -1.20 -5.11 119.66 116.84 2ch4 s GLN 21 Ca 0.00 -0.45 -0.30 0.00 -1.82 0.00 0.00 55.36 52.79 2ch4 s GLN 21 Cb 0.00 -1.91 -0.09 0.00 -1.09 0.00 0.00 33.01 29.93 2ch4 s GLN 21 CO 0.00 -0.29 1.00 0.00 -1.32 0.00 0.00 175.29 174.68 2ch4 s ALA 22 N 1.59 3.35 0.30 2.60 0.00 -1.26 -2.50 121.76 125.84 2ch4 s ALA 22 Ca 0.04 0.71 0.03 0.00 0.00 0.00 0.00 51.96 52.74 2ch4 s ALA 22 Cb -0.13 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 2ch4 s ALA 22 CO -0.09 0.06 0.13 -0.51 0.00 0.00 0.00 175.76 175.35 2ch4 s LEU 23 N -1.09 1.73 -0.07 0.00 1.02 -0.00 -1.38 118.68 118.88 2ch4 s LEU 23 Ca 0.43 -1.51 -0.17 0.00 0.02 0.00 0.00 54.13 52.90 2ch4 s LEU 23 Cb -0.28 0.09 0.04 0.00 0.02 0.00 0.00 46.19 46.05 2ch4 s LEU 23 CO 0.35 -0.83 0.40 0.00 0.02 0.00 0.00 176.35 176.28 2ch4 s ALA 24 N -3.58 -1.00 0.18 4.21 0.00 -0.07 -1.31 121.76 120.18 2ch4 s ALA 24 Ca 0.35 0.78 0.07 0.00 0.00 0.00 0.00 51.96 53.15 2ch4 s ALA 24 Cb 0.06 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 2ch4 s ALA 24 CO 0.16 -0.25 0.05 -0.06 0.00 0.00 0.00 175.76 175.67 2ch4 s PHE 25 N -0.71 2.96 -0.29 0.00 0.08 -0.44 -3.18 117.98 116.40 2ch4 s PHE 25 Ca -0.08 -0.09 -0.29 0.00 0.12 0.00 0.00 56.93 56.59 2ch4 s PHE 25 Cb -0.04 -1.42 -0.01 0.00 -0.57 0.00 0.00 43.02 40.98 2ch4 s PHE 25 CO 0.03 0.52 1.55 -0.51 -0.10 0.00 0.00 175.22 176.72 2ch4 s ASP 26 N -3.05 6.33 0.26 1.36 1.11 -1.26 -1.15 116.67 120.28 2ch4 s ASP 26 Ca 0.29 1.33 -0.02 0.00 0.18 0.00 0.00 52.55 54.33 2ch4 s ASP 26 Cb -0.09 -2.53 0.56 0.00 1.07 0.00 0.00 42.92 41.93 2ch4 s ASP 26 CO 0.21 -1.34 1.67 0.58 1.18 0.00 0.00 175.17 177.47 2ch4 h VAL 27 N 6.30 0.45 -0.72 -1.27 2.07 -1.90 -2.97 116.25 118.21 2ch4 h VAL 27 Ca -0.31 -0.09 0.24 0.00 0.82 0.00 0.00 66.70 67.35 2ch4 h VAL 27 Cb 1.14 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 2ch4 h VAL 27 CO 1.03 0.05 0.48 -0.67 0.02 0.00 0.00 177.57 178.47 2ch4 n ASP 28 N -5.17 0.08 -0.21 0.57 2.03 -1.26 -0.47 116.55 112.12 2ch4 n ASP 28 Ca 0.17 0.62 0.02 0.00 0.52 0.00 0.00 54.79 56.12 2ch4 n ASP 28 Cb 0.55 -0.30 0.06 0.00 -0.72 0.00 0.00 41.12 40.70 2ch4 n ASP 28 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2ch4 n ASN 29 N -3.45 2.34 -4.80 1.67 5.03 -1.12 -5.04 115.26 109.89 2ch4 n ASN 29 Ca 0.20 -2.10 -0.34 0.00 0.87 0.00 0.00 54.58 53.20 2ch4 n ASN 29 Cb 0.79 -0.11 -0.04 0.00 -1.02 0.00 0.00 39.78 39.41 2ch4 n ASN 29 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2ch4 s ILE 30 N -1.17 3.80 -0.18 2.41 -1.09 0.38 -2.95 121.20 122.40 2ch4 s ILE 30 Ca 0.10 1.18 -0.01 0.00 -2.23 0.00 0.00 60.65 59.68 2ch4 s ILE 30 Cb 0.06 -3.51 -0.11 0.00 -1.58 0.00 0.00 42.46 37.32 2ch4 s ILE 30 CO 0.05 -0.19 -0.18 1.21 -1.23 0.00 0.00 174.94 174.60 2ch4 n GLU 31 N -0.75 0.44 0.00 2.79 2.13 0.13 -4.77 120.64 120.61 2ch4 n GLU 31 Ca 0.08 0.12 0.00 0.00 0.66 0.00 0.00 57.16 58.02 2ch4 n GLU 31 Cb 0.52 -1.32 0.00 0.00 0.27 0.00 0.00 31.44 30.91 2ch4 n GLU 31 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2ch4 n MET 32 N -3.22 -0.32 -3.94 5.31 0.00 -1.08 -5.01 117.12 108.86 2ch4 n MET 32 Ca -0.33 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.06 2ch4 n MET 32 Cb 0.82 0.00 -0.14 0.00 0.00 0.00 0.00 33.22 33.91 2ch4 n MET 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 2ch4 s VAL 33 N -2.00 2.63 0.37 3.17 -7.23 -1.26 -1.28 120.40 114.80 2ch4 s VAL 33 Ca 0.00 -3.35 -0.18 0.00 -1.81 0.00 0.00 61.98 56.63 2ch4 s VAL 33 Cb 0.00 -2.82 -0.10 0.00 0.56 0.00 0.00 36.38 34.02 2ch4 s VAL 33 CO 0.00 -0.81 0.85 0.27 -0.31 0.00 0.00 175.10 175.10 2ch4 s ILE 34 N -0.33 4.52 0.14 -0.62 -4.36 -0.85 -4.83 121.20 114.86 2ch4 s ILE 34 Ca 0.17 1.26 -0.30 0.00 -0.26 0.00 0.00 60.65 61.52 2ch4 s ILE 34 Cb -0.25 -3.63 -0.07 0.00 1.25 0.00 0.00 42.46 39.76 2ch4 s ILE 34 CO -0.01 -0.22 1.11 -0.70 0.24 0.00 0.00 174.94 175.36 2ch4 s GLU 35 N -3.00 4.55 0.01 0.37 2.12 -1.26 -0.72 118.70 120.77 2ch4 s GLU 35 Ca 0.57 1.71 -0.30 0.00 0.36 0.00 0.00 54.97 57.31 2ch4 s GLU 35 Cb -0.10 -3.31 -0.08 0.00 0.26 0.00 0.00 34.13 30.90 2ch4 s GLU 35 CO 0.16 -0.01 1.89 0.21 -0.54 0.00 0.00 175.26 176.96 2ch4 s LYS 36 N 0.07 4.14 0.00 4.30 2.20 0.93 -4.84 119.74 126.54 2ch4 s LYS 36 Ca 0.52 2.49 0.00 0.00 -0.36 0.00 0.00 55.97 58.62 2ch4 s LYS 36 Cb -0.29 -4.12 0.00 0.00 -1.51 0.00 0.00 37.83 31.91 2ch4 s LYS 36 CO 0.33 -0.94 0.00 0.43 -0.36 0.00 0.00 175.35 174.81 2ch4 n SER 37 N 7.49 0.00 -4.72 1.43 7.64 -1.26 -4.97 113.62 119.22 2ch4 n SER 37 Ca 0.19 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.72 2ch4 n SER 37 Cb 0.42 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.53 2ch4 n SER 37 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2ch4 s ASP 38 N -0.07 5.89 -0.33 6.43 1.11 -1.26 -5.08 116.67 123.37 2ch4 s ASP 38 Ca 0.00 0.22 0.03 0.00 0.18 0.00 0.00 52.55 52.98 2ch4 s ASP 38 Cb 0.00 -1.95 0.09 0.00 1.07 0.00 0.00 42.92 42.13 2ch4 s ASP 38 CO 0.00 0.27 0.04 -0.63 1.18 0.00 0.00 175.17 176.02 2ch4 s ILE 39 N -0.17 2.41 -0.09 0.77 1.01 -1.26 -4.81 121.20 119.05 2ch4 s ILE 39 Ca 0.09 -2.14 -0.30 0.00 0.00 0.00 0.00 60.65 58.30 2ch4 s ILE 39 Cb -0.12 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 2ch4 s ILE 39 CO 0.01 -0.48 1.58 0.42 0.00 0.00 0.00 174.94 176.46 2ch4 s THR 40 N 0.98 3.73 0.45 2.92 -4.23 -1.00 -4.73 115.64 113.76 2ch4 s THR 40 Ca 0.06 0.88 -0.13 0.00 -1.18 0.00 0.00 61.69 61.32 2ch4 s THR 40 Cb -0.20 -3.58 -0.07 0.00 1.34 0.00 0.00 72.50 69.99 2ch4 s THR 40 CO -0.07 -0.10 0.85 -2.16 -0.54 0.00 0.00 174.62 172.61 2ch4 s PRO 41 N 3.99 3.84 -0.27 3.99 0.04 -1.26 -1.29 135.00 144.04 2ch4 s PRO 41 Ca 0.70 0.66 -0.07 0.00 0.04 0.00 0.00 61.00 62.32 2ch4 s PRO 41 Cb -0.30 -2.29 -0.01 0.00 0.04 0.00 0.00 34.50 31.94 2ch4 s PRO 41 CO 0.27 -0.13 0.07 0.14 0.04 0.00 0.00 177.00 177.38 2ch4 s VAL 42 N -2.48 4.11 0.85 -0.36 -7.23 -1.26 -4.88 120.40 109.15 2ch4 s VAL 42 Ca 0.54 -0.42 -0.12 0.00 -1.81 0.00 0.00 61.98 60.18 2ch4 s VAL 42 Cb -0.10 -3.00 0.11 0.00 0.56 0.00 0.00 36.38 33.94 2ch4 s VAL 42 CO 0.32 0.23 1.17 -2.84 -0.31 0.00 0.00 175.10 173.67 2ch4 s PRO 43 N 1.56 1.42 -0.76 4.82 0.02 -1.26 -3.95 135.00 136.85 2ch4 s PRO 43 Ca 0.05 1.62 -0.01 0.00 0.02 0.00 0.00 61.00 62.67 2ch4 s PRO 43 Cb -0.16 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.60 2ch4 s PRO 43 CO 0.03 -2.35 0.54 0.36 -0.33 0.00 0.00 177.00 175.25 2ch4 n LYS 44 N -3.72 -1.35 -4.01 5.54 2.85 -1.26 -4.99 118.16 111.23 2ch4 n LYS 44 Ca 0.12 0.64 -0.13 0.00 -1.05 0.00 0.00 58.31 57.89 2ch4 n LYS 44 Cb 0.51 -1.98 -0.13 0.00 -0.65 0.00 0.00 35.03 32.78 2ch4 n LYS 44 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2ch4 s SER 45 N -2.92 0.35 -0.01 -5.58 1.04 -1.25 -5.08 113.70 100.25 2ch4 s SER 45 Ca 0.02 -0.19 -0.09 0.00 0.48 0.00 0.00 55.95 56.17 2ch4 s SER 45 Cb -0.01 -0.00 -0.05 0.00 0.10 0.00 0.00 66.02 66.06 2ch4 s SER 45 CO 0.81 -0.05 0.25 0.54 0.98 0.00 0.00 173.24 175.77 2ch4 n ARG 46 N 2.58 0.00 0.24 4.02 1.74 -1.26 -4.68 116.66 119.30 2ch4 n ARG 46 Ca -0.16 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.02 2ch4 n ARG 46 Cb 0.58 -0.35 0.53 0.00 -1.02 0.00 0.00 32.46 32.21 2ch4 n ARG 46 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2ch4 h HIS 47 N 0.72 0.00 -0.29 -1.55 3.86 -2.00 -1.25 115.15 114.64 2ch4 h HIS 47 Ca -0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 2ch4 h HIS 47 Cb 0.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.80 2ch4 h HIS 47 CO 0.13 0.00 0.00 1.97 0.86 0.00 0.00 177.93 180.89 2ch4 n PHE 48 N -2.40 0.38 -3.31 2.45 -1.74 -1.26 -4.69 117.46 106.90 2ch4 n PHE 48 Ca -0.01 -0.19 -0.45 0.00 -0.56 0.00 0.00 57.45 56.23 2ch4 n PHE 48 Cb 0.35 0.00 -0.00 0.00 1.52 0.00 0.00 39.48 41.35 2ch4 n PHE 48 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 2ch4 s VAL 49 N -1.62 5.89 0.61 1.97 1.01 -0.47 -0.71 120.40 127.07 2ch4 s VAL 49 Ca 0.32 -3.25 0.23 0.00 0.00 0.00 0.00 61.98 59.29 2ch4 s VAL 49 Cb 0.18 -4.62 0.34 0.00 0.00 0.00 0.00 36.38 32.28 2ch4 s VAL 49 CO 0.25 -1.20 1.28 -0.08 0.00 0.00 0.00 175.10 175.34 2ch4 h GLU 50 N 6.84 0.00 0.00 2.72 4.57 -1.73 -3.45 114.58 123.53 2ch4 h GLU 50 Ca 0.18 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 2ch4 h GLU 50 Cb 0.89 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 2ch4 h GLU 50 CO 1.00 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 179.24 2ch4 n GLY 51 N -1.69 0.87 3.54 1.92 0.00 -1.02 -4.58 105.19 104.23 2ch4 n GLY 51 Ca 0.20 -1.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.00 2ch4 n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ch4 s VAL 52 N -1.88 2.93 0.22 1.61 -7.23 -0.41 0.12 120.40 115.76 2ch4 s VAL 52 Ca 0.00 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.07 2ch4 s VAL 52 Cb 0.00 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 2ch4 s VAL 52 CO 0.00 -0.33 0.15 0.27 -0.31 0.00 0.00 175.10 174.87 2ch4 s ILE 53 N -2.27 0.05 -0.24 -0.62 -4.36 0.92 -2.37 121.20 112.31 2ch4 s ILE 53 Ca 0.29 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 58.60 2ch4 s ILE 53 Cb -0.06 -2.51 -0.04 0.00 1.25 0.00 0.00 42.46 41.10 2ch4 s ILE 53 CO 0.16 0.00 0.09 0.21 0.24 0.00 0.00 174.94 175.64 2ch4 s ASN 54 N -3.20 5.43 -0.53 4.36 3.04 -1.26 -1.33 114.94 121.44 2ch4 s ASN 54 Ca 0.39 -0.09 0.03 0.00 0.04 0.00 0.00 52.86 53.23 2ch4 s ASN 54 Cb 0.06 -1.97 0.13 0.00 -1.54 0.00 0.00 41.25 37.94 2ch4 s ASN 54 CO 0.14 0.02 0.28 -0.76 -3.04 0.00 0.00 177.10 173.75 2ch4 s LEU 55 N 1.28 4.45 -0.25 3.21 1.43 -0.78 -4.89 118.68 123.13 2ch4 s LEU 55 Ca 0.05 -2.99 -0.23 0.00 -1.03 0.00 0.00 54.13 49.94 2ch4 s LEU 55 Cb -0.15 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.44 2ch4 s LEU 55 CO 0.04 -0.25 0.38 -2.11 0.23 0.00 0.00 176.35 174.64 2ch4 n ARG 56 N 3.17 -1.11 -0.99 1.70 1.85 -1.26 -2.62 116.66 117.40 2ch4 n ARG 56 Ca 0.05 0.87 0.00 0.00 -1.00 0.00 0.00 57.85 57.77 2ch4 n ARG 56 Cb 0.33 -1.21 0.00 0.00 -1.05 0.00 0.00 32.46 30.53 2ch4 n ARG 56 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2ch4 n GLY 57 N 0.04 0.40 2.85 2.89 0.00 -1.26 -5.02 105.19 105.10 2ch4 n GLY 57 Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 2ch4 n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ch4 s ARG 58 N -0.50 0.50 -0.25 1.61 0.52 -1.08 -5.11 118.95 114.64 2ch4 s ARG 58 Ca 0.00 0.00 -0.26 0.00 -0.52 0.00 0.00 55.73 54.95 2ch4 s ARG 58 Cb 0.00 -0.60 0.00 0.00 0.52 0.00 0.00 34.95 34.87 2ch4 s ARG 58 CO 0.00 -0.11 0.92 0.42 0.02 0.00 0.00 175.30 176.56 2ch4 s ILE 59 N 0.94 4.74 0.08 1.52 1.09 -1.26 -1.87 121.20 126.44 2ch4 s ILE 59 Ca -0.11 1.71 0.09 0.00 -1.10 0.00 0.00 60.65 61.24 2ch4 s ILE 59 Cb -0.14 -4.22 -0.03 0.00 -1.06 0.00 0.00 42.46 37.01 2ch4 s ILE 59 CO -0.01 -0.17 -0.23 0.27 -0.10 0.00 0.00 174.94 174.70 2ch4 s ILE 60 N 3.06 2.44 0.15 2.92 -4.36 -0.44 -4.95 121.20 120.02 2ch4 s ILE 60 Ca 0.39 -1.47 -0.20 0.00 -0.26 0.00 0.00 60.65 59.11 2ch4 s ILE 60 Cb -0.15 -2.04 -0.07 0.00 1.25 0.00 0.00 42.46 41.45 2ch4 s ILE 60 CO 0.08 0.24 0.66 -2.16 0.24 0.00 0.00 174.94 174.00 2ch4 s PRO 61 N -1.66 4.26 -0.17 0.37 0.04 -1.26 -0.06 135.00 136.52 2ch4 s PRO 61 Ca 0.14 0.83 -0.00 0.00 0.04 0.00 0.00 61.00 62.01 2ch4 s PRO 61 Cb -0.10 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.35 2ch4 s PRO 61 CO 0.05 0.53 -0.14 0.14 0.04 0.00 0.00 177.00 177.62 2ch4 s VAL 62 N -1.29 2.71 0.45 -0.36 -7.23 0.32 -1.61 120.40 113.39 2ch4 s VAL 62 Ca 0.36 -0.74 0.03 0.00 -1.81 0.00 0.00 61.98 59.81 2ch4 s VAL 62 Cb -0.19 -2.16 0.01 0.00 0.56 0.00 0.00 36.38 34.60 2ch4 s VAL 62 CO 0.21 0.50 0.64 -0.69 -0.31 0.00 0.00 175.10 175.46 2ch4 s VAL 63 N 0.99 3.58 -0.32 1.32 1.01 -0.13 -2.27 120.40 124.58 2ch4 s VAL 63 Ca -0.02 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 2ch4 s VAL 63 Cb -0.15 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 32.96 2ch4 s VAL 63 CO -0.03 -0.18 0.11 0.21 0.00 0.00 0.00 175.10 175.22 2ch4 s ASN 64 N -4.27 5.29 0.19 3.32 3.04 0.11 -1.60 114.94 121.01 2ch4 s ASN 64 Ca 0.51 -0.89 -0.11 0.00 0.04 0.00 0.00 52.86 52.41 2ch4 s ASN 64 Cb -0.10 -1.90 0.10 0.00 -1.54 0.00 0.00 41.25 37.81 2ch4 s ASN 64 CO 0.36 -0.26 1.76 0.25 -3.04 0.00 0.00 177.10 176.17 2ch4 h LEU 65 N 8.26 0.88 0.00 3.21 5.85 -1.86 -0.08 115.31 131.57 2ch4 h LEU 65 Ca -0.28 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2ch4 h LEU 65 Cb 1.11 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.91 2ch4 h LEU 65 CO 0.61 0.78 0.00 0.00 -0.34 0.00 0.00 178.44 179.50 2ch4 n ALA 66 N -2.37 -0.05 -0.59 1.25 0.00 -1.26 -0.06 120.51 117.43 2ch4 n ALA 66 Ca 0.05 0.00 0.46 0.00 0.00 0.00 0.00 53.44 53.95 2ch4 n ALA 66 Cb 0.14 0.11 0.73 0.00 0.00 0.00 0.00 19.45 20.44 2ch4 n ALA 66 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2ch4 n LYS 67 N -0.95 -0.01 0.15 0.00 4.76 -1.21 0.21 118.16 121.10 2ch4 n LYS 67 Ca 0.00 1.11 0.03 0.00 -2.87 0.00 0.00 58.31 56.58 2ch4 n LYS 67 Cb 0.00 -2.39 0.09 0.00 -1.84 0.00 0.00 35.03 30.89 2ch4 n LYS 67 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 2ch4 h ILE 68 N 0.00 0.86 0.06 -0.18 2.10 -0.18 -3.32 117.51 116.85 2ch4 h ILE 68 Ca 0.88 -2.09 -0.38 0.00 1.08 0.00 0.00 64.86 64.35 2ch4 h ILE 68 Cb 3.25 2.33 -0.05 0.00 -1.09 0.00 0.00 36.82 41.27 2ch4 h ILE 68 CO -0.20 0.47 -2.25 0.18 -1.08 0.00 0.00 178.15 175.28 2ch4 n LEU 69 N -3.28 2.80 -0.14 2.19 7.99 0.55 -5.03 117.00 122.08 2ch4 n LEU 69 Ca 0.02 0.03 0.00 0.00 -0.01 0.00 0.00 56.01 56.05 2ch4 n LEU 69 Cb 0.69 -1.01 0.00 0.00 -0.11 0.00 0.00 43.42 43.00 2ch4 n LEU 69 CO 0.40 0.89 0.00 0.61 -1.51 0.00 0.00 177.39 177.78 2ch4 n GLY 70 N 2.12 0.70 3.42 -0.72 0.00 0.69 -4.92 105.19 106.47 2ch4 n GLY 70 Ca -0.40 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 2ch4 n GLY 70 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ch4 s ILE 71 N -1.67 0.34 0.24 -0.61 -4.36 -1.24 -5.05 121.20 108.85 2ch4 s ILE 71 Ca 0.00 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.09 2ch4 s ILE 71 Cb 0.00 -2.40 -0.15 0.00 1.25 0.00 0.00 42.46 41.16 2ch4 s ILE 71 CO 0.00 0.00 1.03 -1.20 0.24 0.00 0.00 174.94 175.01 2ch4 n SER 72 N -1.37 1.12 -3.94 4.36 7.64 -1.26 -4.70 113.62 115.46 2ch4 n SER 72 Ca -0.01 1.16 -0.08 0.00 1.01 0.00 0.00 58.87 60.95 2ch4 n SER 72 Cb 0.64 -1.24 -0.08 0.00 -1.01 0.00 0.00 64.21 62.52 2ch4 n SER 72 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2ch4 s PHE 73 N -0.74 0.28 -0.35 1.43 2.19 -1.26 -4.78 117.98 114.76 2ch4 s PHE 73 Ca 0.64 -0.76 -0.04 0.00 0.33 0.00 0.00 56.93 57.11 2ch4 s PHE 73 Cb -0.77 -0.18 0.24 0.00 -1.31 0.00 0.00 43.02 41.00 2ch4 s PHE 73 CO 0.57 -0.49 1.15 -3.47 1.83 0.00 0.00 175.22 174.81 2ch4 n ASP 74 N -0.00 -1.49 0.00 6.13 -0.08 -1.26 -5.05 116.55 114.80 2ch4 n ASP 74 Ca -0.15 -1.50 0.00 0.00 -1.51 0.00 0.00 54.79 51.63 2ch4 n ASP 74 Cb 0.62 0.80 0.00 0.00 2.34 0.00 0.00 41.12 44.87 2ch4 n ASP 74 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2ch4 n GLU 75 N 2.04 0.00 0.14 -0.67 4.07 -1.26 0.44 120.64 125.39 2ch4 n GLU 75 Ca 0.07 0.00 0.17 0.00 -0.06 0.00 0.00 57.16 57.33 2ch4 n GLU 75 Cb 0.67 0.00 0.74 0.00 -0.06 0.00 0.00 31.44 32.80 2ch4 n GLU 75 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 2ch4 h GLN 76 N 0.00 0.00 0.02 5.31 1.08 -2.06 -2.98 115.11 116.49 2ch4 h GLN 76 Ca 0.00 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.88 2ch4 h GLN 76 Cb 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.38 2ch4 h GLN 76 CO 0.00 0.00 -1.88 1.63 -0.95 0.00 0.00 178.83 177.63 2ch4 n LYS 77 N -4.14 0.66 -1.69 1.46 4.01 0.17 -4.90 118.16 113.73 2ch4 n LYS 77 Ca 0.04 0.25 -0.42 0.00 -0.51 0.00 0.00 58.31 57.66 2ch4 n LYS 77 Cb 0.39 -1.73 -0.03 0.00 -0.51 0.00 0.00 35.03 33.15 2ch4 n LYS 77 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 2ch4 s MET 78 N -2.57 3.95 0.00 1.97 -1.94 -1.13 -4.68 119.30 114.89 2ch4 s MET 78 Ca -0.10 2.46 0.00 0.00 -1.71 0.00 0.00 55.69 56.35 2ch4 s MET 78 Cb 0.07 -4.19 0.00 0.00 2.01 0.00 0.00 34.83 32.72 2ch4 s MET 78 CO 0.81 -1.17 0.11 1.63 -0.01 0.00 0.00 175.02 176.38 2ch4 n LYS 79 N 7.76 1.93 -5.19 2.03 5.02 -1.13 -4.92 118.16 123.66 2ch4 n LYS 79 Ca 0.22 -0.11 -0.29 0.00 -2.02 0.00 0.00 58.31 56.10 2ch4 n LYS 79 Cb 0.42 -0.47 -0.16 0.00 -0.02 0.00 0.00 35.03 34.80 2ch4 n LYS 79 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2ch4 s SER 80 N -0.31 2.80 -0.18 4.39 0.01 -0.88 -0.05 113.70 119.49 2ch4 s SER 80 Ca 0.00 -0.44 -0.02 0.00 1.31 0.00 0.00 55.95 56.80 2ch4 s SER 80 Cb 0.00 -0.37 -0.01 0.00 0.21 0.00 0.00 66.02 65.85 2ch4 s SER 80 CO 0.00 0.28 -0.08 -0.63 0.41 0.00 0.00 173.24 173.23 2ch4 s ILE 81 N -0.50 3.32 -0.73 1.44 1.01 0.10 -1.32 121.20 124.52 2ch4 s ILE 81 Ca 0.08 -0.54 -0.16 0.00 0.00 0.00 0.00 60.65 60.03 2ch4 s ILE 81 Cb -0.10 -2.46 0.17 0.00 0.01 0.00 0.00 42.46 40.08 2ch4 s ILE 81 CO -0.00 0.47 0.73 -0.63 0.00 0.00 0.00 174.94 175.50 2ch4 s ILE 82 N 0.90 5.31 0.21 2.92 1.01 0.26 -2.00 121.20 129.80 2ch4 s ILE 82 Ca -0.02 -1.92 -0.30 0.00 0.00 0.00 0.00 60.65 58.42 2ch4 s ILE 82 Cb -0.15 -4.47 -0.08 0.00 0.01 0.00 0.00 42.46 37.77 2ch4 s ILE 82 CO 0.01 -1.05 1.01 -0.69 0.00 0.00 0.00 174.94 174.21 2ch4 s VAL 83 N 1.15 4.02 -0.03 2.92 1.01 -0.40 -0.88 120.40 128.19 2ch4 s VAL 83 Ca 0.15 1.88 -0.01 0.00 0.00 0.00 0.00 61.98 64.00 2ch4 s VAL 83 Cb -0.17 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.03 2ch4 s VAL 83 CO -0.04 0.39 0.05 0.00 0.00 0.00 0.00 175.10 175.50 2ch4 s ALA 84 N -0.73 -0.03 0.33 5.51 0.00 0.11 0.19 121.76 127.14 2ch4 s ALA 84 Ca 0.45 0.30 0.07 0.00 0.00 0.00 0.00 51.96 52.77 2ch4 s ALA 84 Cb -0.27 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 2ch4 s ALA 84 CO 0.34 -0.09 0.39 0.50 0.00 0.00 0.00 175.76 176.90 2ch4 s ARG 85 N 0.73 2.97 0.00 0.00 3.52 -1.15 -0.42 118.95 124.60 2ch4 s ARG 85 Ca -0.06 -1.12 0.00 0.00 -0.13 0.00 0.00 55.73 54.42 2ch4 s ARG 85 Cb -0.08 -2.68 0.00 0.00 -1.56 0.00 0.00 34.95 30.62 2ch4 s ARG 85 CO -0.02 0.09 0.00 -2.37 -0.81 0.00 0.00 175.30 172.19 2ch4 n THR 86 N -1.52 0.00 -0.54 4.11 5.66 -1.26 -4.80 114.28 115.93 2ch4 n THR 86 Ca -0.01 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.75 2ch4 n THR 86 Cb 0.59 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.33 2ch4 n THR 86 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2ch4 n LYS 87 N 0.00 0.91 -3.35 1.09 4.01 -1.26 -4.01 118.16 115.54 2ch4 n LYS 87 Ca 0.00 -1.14 -0.13 0.00 -0.51 0.00 0.00 58.31 56.53 2ch4 n LYS 87 Cb 0.00 -2.41 0.02 0.00 -0.51 0.00 0.00 35.03 32.13 2ch4 n LYS 87 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2ch4 n ASP 88 N 6.02 -6.60 -2.82 4.39 9.92 -1.26 -4.99 116.55 121.21 2ch4 n ASP 88 Ca 0.32 -0.52 -0.11 0.00 -0.53 0.00 0.00 54.79 53.95 2ch4 n ASP 88 Cb 0.20 -4.23 0.06 0.00 -0.64 0.00 0.00 41.12 36.51 2ch4 n ASP 88 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2ch4 n VAL 89 N -2.62 0.02 -1.66 2.53 0.31 -1.26 -5.13 118.33 110.53 2ch4 n VAL 89 Ca -0.09 -2.27 -0.46 0.00 -0.01 0.00 0.00 64.34 61.51 2ch4 n VAL 89 Cb 0.57 0.99 -0.03 0.00 -0.91 0.00 0.00 33.84 34.46 2ch4 n VAL 89 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2ch4 n GLU 90 N 0.17 1.93 -3.73 5.55 1.02 -1.26 -4.41 120.64 119.90 2ch4 n GLU 90 Ca 0.09 0.69 -0.12 0.00 -0.02 0.00 0.00 57.16 57.80 2ch4 n GLU 90 Cb 0.72 -2.34 -0.11 0.00 -0.02 0.00 0.00 31.44 29.68 2ch4 n GLU 90 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2ch4 s VAL 91 N 0.08 -0.02 0.05 2.62 1.01 0.44 -4.47 120.40 120.11 2ch4 s VAL 91 Ca 0.71 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.76 2ch4 s VAL 91 Cb -0.68 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2ch4 s VAL 91 CO 0.48 0.03 0.13 -0.83 0.00 0.00 0.00 175.10 174.91 2ch4 s GLY 92 N 0.82 2.09 -0.07 4.51 0.00 -0.64 0.08 107.32 114.12 2ch4 s GLY 92 Ca -0.05 -0.90 0.05 0.00 0.00 0.00 0.00 44.72 43.82 2ch4 s GLY 92 CO -0.06 -0.85 -0.24 -1.36 0.00 0.00 0.00 173.10 170.59 2ch4 s PHE 93 N -1.38 2.49 -0.12 1.90 0.40 -0.06 -0.96 117.98 120.26 2ch4 s PHE 93 Ca 0.29 -0.79 -0.15 0.00 -0.60 0.00 0.00 56.93 55.69 2ch4 s PHE 93 Cb -0.12 -1.64 -0.05 0.00 0.51 0.00 0.00 43.02 41.72 2ch4 s PHE 93 CO 0.22 -0.26 0.35 -1.17 0.70 0.00 0.00 175.22 175.06 2ch4 s LEU 94 N -0.03 4.30 0.13 -0.37 0.20 -0.63 0.91 118.68 123.19 2ch4 s LEU 94 Ca -0.08 0.66 -0.10 0.00 0.69 0.00 0.00 54.13 55.31 2ch4 s LEU 94 Cb -0.15 -2.47 0.00 0.00 -0.43 0.00 0.00 46.19 43.14 2ch4 s LEU 94 CO 0.05 0.13 0.26 0.68 -0.29 0.00 0.00 176.35 177.18 2ch4 s VAL 95 N 0.17 0.10 0.15 1.68 -7.23 -0.43 -3.22 120.40 111.62 2ch4 s VAL 95 Ca 0.20 -1.18 -0.20 0.00 -1.81 0.00 0.00 61.98 58.99 2ch4 s VAL 95 Cb -0.14 -1.52 0.05 0.00 0.56 0.00 0.00 36.38 35.32 2ch4 s VAL 95 CO 0.07 -0.46 1.66 0.44 -0.31 0.00 0.00 175.10 176.50 2ch4 h ASP 96 N 2.61 -0.51 -4.91 4.85 3.45 -1.77 -2.30 116.42 117.83 2ch4 h ASP 96 Ca -0.33 0.12 0.15 0.00 0.43 0.00 0.00 57.03 57.40 2ch4 h ASP 96 Cb 1.22 0.28 -0.13 0.00 -0.56 0.00 0.00 39.33 40.14 2ch4 h ASP 96 CO 0.51 -0.19 0.53 0.00 -1.57 0.00 0.00 179.24 178.53 2ch4 s ARG 97 N -6.16 0.89 -0.11 3.56 1.70 -1.14 -2.86 118.95 114.83 2ch4 s ARG 97 Ca -0.14 -0.40 0.02 0.00 -0.47 0.00 0.00 55.73 54.73 2ch4 s ARG 97 Cb 0.13 0.36 -0.01 0.00 -0.57 0.00 0.00 34.95 34.85 2ch4 s ARG 97 CO 0.69 -0.40 -0.16 0.54 -1.08 0.00 0.00 175.30 174.90 2ch4 s VAL 98 N -3.09 2.85 -0.14 4.99 0.11 -1.26 -1.38 120.40 122.49 2ch4 s VAL 98 Ca 0.08 -0.75 -0.13 0.00 -2.93 0.00 0.00 61.98 58.25 2ch4 s VAL 98 Cb -0.01 -2.16 -0.10 0.00 -1.53 0.00 0.00 36.38 32.58 2ch4 s VAL 98 CO -0.05 0.54 0.17 -0.07 -3.33 0.00 0.00 175.10 172.36 2ch4 h LEU 99 N 6.40 0.00 0.00 2.54 -0.00 -0.59 -3.48 115.31 120.18 2ch4 h LEU 99 Ca -0.29 -0.32 0.00 0.00 -0.00 0.00 0.00 57.88 57.27 2ch4 h LEU 99 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 2ch4 h LEU 99 CO 0.53 0.86 0.00 0.61 -0.00 0.00 0.00 178.44 180.44 2ch4 n GLY 100 N 1.64 -0.33 3.84 0.83 0.00 -0.82 -5.00 105.19 105.34 2ch4 n GLY 100 Ca -0.10 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.38 2ch4 n GLY 100 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ch4 s VAL 101 N -3.06 5.21 0.12 1.61 -7.23 -1.26 0.15 120.40 115.94 2ch4 s VAL 101 Ca 0.00 0.01 0.08 0.00 -1.81 0.00 0.00 61.98 60.27 2ch4 s VAL 101 Cb 0.00 -3.29 -0.04 0.00 0.56 0.00 0.00 36.38 33.61 2ch4 s VAL 101 CO 0.00 0.55 -0.14 -0.22 -0.31 0.00 0.00 175.10 174.98 2ch4 s LEU 102 N -1.20 2.86 -0.56 1.32 2.96 0.25 -4.90 118.68 119.41 2ch4 s LEU 102 Ca 0.17 -0.50 -0.17 0.00 -0.22 0.00 0.00 54.13 53.41 2ch4 s LEU 102 Cb -0.12 -1.67 0.12 0.00 0.50 0.00 0.00 46.19 45.02 2ch4 s LEU 102 CO 0.07 0.17 0.57 -0.60 -1.32 0.00 0.00 176.35 175.24 2ch4 s ARG 103 N -2.26 3.01 0.58 1.98 3.52 -1.26 -0.50 118.95 124.02 2ch4 s ARG 103 Ca 0.20 -1.59 0.04 0.00 -0.13 0.00 0.00 55.73 54.26 2ch4 s ARG 103 Cb -0.11 -4.29 0.11 0.00 -1.56 0.00 0.00 34.95 29.10 2ch4 s ARG 103 CO 0.12 -1.40 0.79 -0.89 -0.81 0.00 0.00 175.30 173.11 2ch4 n ILE 104 N 5.34 0.00 -3.95 4.11 2.08 -0.61 -4.99 119.36 121.34 2ch4 n ILE 104 Ca -0.12 -1.56 0.02 0.00 0.56 0.00 0.00 62.75 61.65 2ch4 n ILE 104 Cb 0.41 -0.75 0.01 0.00 -0.75 0.00 0.00 39.64 38.56 2ch4 n ILE 104 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2ch4 s THR 105 N -2.43 0.00 0.19 1.39 -1.32 -1.26 -3.24 115.64 108.96 2ch4 s THR 105 Ca 0.56 -0.19 -0.22 0.00 -1.21 0.00 0.00 61.69 60.63 2ch4 s THR 105 Cb -0.04 -2.86 0.11 0.00 -1.51 0.00 0.00 72.50 68.20 2ch4 s THR 105 CO 0.36 0.00 1.57 -0.08 -2.21 0.00 0.00 174.62 174.26 2ch4 h GLU 106 N 2.00 -0.12 0.00 7.08 4.22 -1.88 1.98 114.58 127.85 2ch4 h GLU 106 Ca -0.23 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.22 2ch4 h GLU 106 Cb 1.19 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2ch4 h GLU 106 CO 0.31 -0.08 0.00 0.09 -2.18 0.00 0.00 179.01 177.15 2ch4 n ASN 107 N -5.42 0.00 -0.27 1.04 3.02 -1.26 -2.28 115.26 110.09 2ch4 n ASN 107 Ca 0.05 0.27 0.20 0.00 -0.03 0.00 0.00 54.58 55.07 2ch4 n ASN 107 Cb 0.36 0.00 0.38 0.00 -0.61 0.00 0.00 39.78 39.91 2ch4 n ASN 107 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ch4 n GLN 108 N -0.40 -0.06 -1.70 3.52 6.02 -0.97 -4.40 117.38 119.40 2ch4 n GLN 108 Ca 0.00 1.17 -0.44 0.00 -0.01 0.00 0.00 57.00 57.72 2ch4 n GLN 108 Cb 0.00 -1.99 -0.03 0.00 1.02 0.00 0.00 30.24 29.24 2ch4 n GLN 108 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 2ch4 n LEU 109 N -4.99 3.56 -3.85 1.08 -0.00 0.67 -2.10 117.00 111.38 2ch4 n LEU 109 Ca 0.26 1.09 -0.15 0.00 -0.00 0.00 0.00 56.01 57.22 2ch4 n LEU 109 Cb 0.87 -1.50 -0.15 0.00 -0.00 0.00 0.00 43.42 42.64 2ch4 n LEU 109 CO -0.02 -0.10 -0.37 -0.62 -0.00 0.00 0.00 177.39 176.27 2ch4 s ASP 110 N 0.84 0.24 -0.03 1.45 3.68 -1.10 -4.87 116.67 116.88 2ch4 s ASP 110 Ca 0.74 -0.02 -0.02 0.00 2.13 0.00 0.00 52.55 55.38 2ch4 s ASP 110 Cb -0.59 -0.09 0.01 0.00 -1.45 0.00 0.00 42.92 40.80 2ch4 s ASP 110 CO 0.39 -0.05 0.08 -0.76 0.13 0.00 0.00 175.17 174.97 2ch4 s LEU 111 N 0.51 1.58 0.00 -1.34 1.43 -1.26 -1.92 118.68 117.67 2ch4 s LEU 111 Ca -0.05 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 2ch4 s LEU 111 Cb -0.07 0.25 0.00 0.00 0.03 0.00 0.00 46.19 46.40 2ch4 s LEU 111 CO -0.01 -0.04 0.00 0.41 0.23 0.00 0.00 176.35 176.93 2ch4 n THR 112 N 3.22 0.00 0.58 5.49 -1.04 -1.26 -5.08 114.28 116.19 2ch4 n THR 112 Ca -0.15 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 61.98 2ch4 n THR 112 Cb 0.58 0.00 0.15 0.00 -1.82 0.00 0.00 70.33 69.24 2ch4 n THR 112 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2ch4 n ASN 113 N 0.00 3.13 -0.25 8.00 5.15 -1.26 -3.45 115.26 126.58 2ch4 n ASN 113 Ca 0.00 -1.95 0.15 0.00 -0.60 0.00 0.00 54.58 52.18 2ch4 n ASN 113 Cb 0.00 -0.13 0.72 0.00 -0.53 0.00 0.00 39.78 39.84 2ch4 n ASN 113 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 2ch4 n VAL 114 N 1.33 0.01 0.30 3.44 3.14 -1.26 -2.29 118.33 123.00 2ch4 n VAL 114 Ca 0.16 -0.13 0.12 0.00 -2.96 0.00 0.00 64.34 61.52 2ch4 n VAL 114 Cb 0.57 0.01 0.05 0.00 -1.06 0.00 0.00 33.84 33.41 2ch4 n VAL 114 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2ch4 n SER 115 N -0.39 0.76 -4.83 6.55 2.88 -1.22 -4.86 113.62 112.51 2ch4 n SER 115 Ca 0.21 0.19 -0.35 0.00 -1.33 0.00 0.00 58.87 57.59 2ch4 n SER 115 Cb 0.23 0.43 -0.07 0.00 -0.75 0.00 0.00 64.21 64.06 2ch4 n SER 115 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2ch4 s ASP 116 N -4.82 6.05 -0.05 -3.46 1.11 -0.97 -5.03 116.67 109.49 2ch4 s ASP 116 Ca 0.02 0.33 -0.09 0.00 0.18 0.00 0.00 52.55 52.99 2ch4 s ASP 116 Cb 0.11 -1.87 -0.30 0.00 1.07 0.00 0.00 42.92 41.94 2ch4 s ASP 116 CO 0.77 0.36 0.66 0.07 1.18 0.00 0.00 175.17 178.21 2ch4 h LYS 117 N 4.67 0.36 -5.56 8.23 -0.00 -1.89 -3.42 116.57 118.96 2ch4 h LYS 117 Ca -0.52 -0.61 -0.64 0.00 -0.00 0.00 0.00 60.65 58.88 2ch4 h LYS 117 Cb 1.21 0.23 -0.14 0.00 -0.00 0.00 0.00 32.23 33.53 2ch4 h LYS 117 CO 0.60 1.27 0.98 -0.59 -0.00 0.00 0.00 179.45 181.70 2ch4 s PHE 118 N -2.58 2.77 0.00 0.07 -0.12 -1.26 -5.00 117.98 111.85 2ch4 s PHE 118 Ca -0.15 -0.91 0.00 0.00 -0.05 0.00 0.00 56.93 55.82 2ch4 s PHE 118 Cb 0.06 -4.44 0.00 0.00 -0.63 0.00 0.00 43.02 38.01 2ch4 s PHE 118 CO 0.85 -1.71 0.00 0.41 -0.05 0.00 0.00 175.22 174.71 2ch4 n GLY 119 N 5.83 0.00 0.24 1.99 0.00 -1.26 -3.26 105.19 108.74 2ch4 n GLY 119 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 2ch4 n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ch4 h LYS 120 N 0.00 0.00 -0.96 1.61 1.79 -1.97 -2.81 116.57 114.23 2ch4 h LYS 120 Ca 0.00 0.00 0.19 0.00 -2.18 0.00 0.00 60.65 58.66 2ch4 h LYS 120 Cb 0.00 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 30.47 2ch4 h LYS 120 CO 0.00 0.00 -0.26 -0.22 -1.08 0.00 0.00 179.45 177.89 2ch4 h LYS 121 N 0.00 -0.00 -5.66 3.15 1.63 -1.88 -3.41 116.57 110.41 2ch4 h LYS 121 Ca 0.00 0.00 -0.66 0.00 -0.85 0.00 0.00 60.65 59.14 2ch4 h LYS 121 Cb 0.62 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 32.11 2ch4 h LYS 121 CO 0.00 -0.00 -0.58 -1.54 -3.45 0.00 0.00 179.45 173.88 2ch4 s SER 122 N -5.27 5.56 0.09 4.20 1.04 -1.06 0.14 113.70 118.40 2ch4 s SER 122 Ca -0.15 0.17 -0.15 0.00 0.48 0.00 0.00 55.95 56.31 2ch4 s SER 122 Cb 0.26 -1.76 -0.12 0.00 0.10 0.00 0.00 66.02 64.50 2ch4 s SER 122 CO 0.77 0.31 1.36 0.11 0.98 0.00 0.00 173.24 176.77 2ch4 h LYS 123 N 5.68 0.70 0.00 4.02 1.57 0.29 -3.43 116.57 125.40 2ch4 h LYS 123 Ca -0.46 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 57.87 2ch4 h LYS 123 Cb 1.19 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2ch4 h LYS 123 CO 0.60 1.07 0.00 0.41 -0.57 0.00 0.00 179.45 180.96 2ch4 n GLY 124 N 0.39 -0.68 3.12 3.86 0.00 -0.17 -4.94 105.19 106.76 2ch4 n GLY 124 Ca -0.05 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 2ch4 n GLY 124 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ch4 s LEU 125 N 0.00 3.60 -0.00 0.99 1.98 -0.81 -0.53 118.68 123.90 2ch4 s LEU 125 Ca 0.00 -1.32 -0.21 0.00 -2.89 0.00 0.00 54.13 49.71 2ch4 s LEU 125 Cb 0.00 -1.62 -0.05 0.00 0.66 0.00 0.00 46.19 45.18 2ch4 s LEU 125 CO 0.00 -0.21 0.62 -0.69 -1.89 0.00 0.00 176.35 174.18 2ch4 s VAL 126 N 1.17 4.90 -0.38 1.68 1.01 0.12 -2.69 120.40 126.21 2ch4 s VAL 126 Ca -0.07 1.30 0.02 0.00 0.00 0.00 0.00 61.98 63.23 2ch4 s VAL 126 Cb -0.20 -3.96 0.11 0.00 0.00 0.00 0.00 36.38 32.34 2ch4 s VAL 126 CO -0.04 0.40 0.14 -0.75 0.00 0.00 0.00 175.10 174.86 2ch4 s LYS 127 N -0.12 1.26 -0.42 2.72 2.20 -0.89 -0.63 119.74 123.87 2ch4 s LYS 127 Ca 0.32 -1.77 -0.07 0.00 -0.36 0.00 0.00 55.97 54.10 2ch4 s LYS 127 Cb -0.18 -2.62 0.09 0.00 -1.51 0.00 0.00 37.83 33.61 2ch4 s LYS 127 CO 0.18 -1.04 0.24 -0.08 -0.36 0.00 0.00 175.35 174.29 2ch4 s THR 128 N 0.81 3.82 -0.92 3.43 -1.32 -1.19 -4.40 115.64 115.88 2ch4 s THR 128 Ca 0.13 -1.68 -0.08 0.00 -1.21 0.00 0.00 61.69 58.84 2ch4 s THR 128 Cb -0.21 -3.45 0.00 0.00 -1.51 0.00 0.00 72.50 67.34 2ch4 s THR 128 CO -0.10 -0.59 0.68 -0.90 -2.21 0.00 0.00 174.62 171.50 2ch4 n ASP 129 N 4.79 -5.59 0.00 8.08 5.68 -1.26 -3.88 116.55 124.37 2ch4 n ASP 129 Ca -0.07 -0.80 0.00 0.00 -0.50 0.00 0.00 54.79 53.41 2ch4 n ASP 129 Cb 0.42 -2.92 0.00 0.00 -1.14 0.00 0.00 41.12 37.48 2ch4 n ASP 129 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ch4 n GLY 130 N -1.73 1.62 2.86 6.12 0.00 -1.26 -5.01 105.19 107.79 2ch4 n GLY 130 Ca -0.17 -0.46 -0.45 0.00 0.00 0.00 0.00 46.02 44.93 2ch4 n GLY 130 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2ch4 n ARG 131 N 0.00 0.00 -3.55 1.61 1.85 -1.25 -4.93 116.66 110.39 2ch4 n ARG 131 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.48 2ch4 n ARG 131 Cb 0.00 -1.07 -0.06 0.00 -1.05 0.00 0.00 32.46 30.28 2ch4 n ARG 131 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2ch4 s LEU 132 N 1.02 4.37 -0.03 2.89 1.02 -1.26 -3.20 118.68 123.49 2ch4 s LEU 132 Ca 0.66 0.74 0.01 0.00 0.02 0.00 0.00 54.13 55.56 2ch4 s LEU 132 Cb -0.93 -2.46 0.02 0.00 0.02 0.00 0.00 46.19 42.84 2ch4 s LEU 132 CO 0.47 0.24 -0.04 -0.63 0.02 0.00 0.00 176.35 176.41 2ch4 s ILE 133 N -0.44 0.46 -0.04 -0.59 1.01 0.20 -4.51 121.20 117.28 2ch4 s ILE 133 Ca 0.21 -0.12 -0.23 0.00 0.00 0.00 0.00 60.65 60.51 2ch4 s ILE 133 Cb -0.15 -0.48 -0.04 0.00 0.01 0.00 0.00 42.46 41.80 2ch4 s ILE 133 CO 0.09 0.19 0.69 -0.63 0.00 0.00 0.00 174.94 175.28 2ch4 s ILE 134 N 0.71 4.99 -0.71 2.92 1.09 -0.48 0.13 121.20 129.85 2ch4 s ILE 134 Ca -0.09 1.42 -0.04 0.00 -1.10 0.00 0.00 60.65 60.84 2ch4 s ILE 134 Cb -0.12 -4.03 0.18 0.00 -1.06 0.00 0.00 42.46 37.43 2ch4 s ILE 134 CO -0.00 0.29 0.56 -0.47 -0.10 0.00 0.00 174.94 175.22 2ch4 s TYR 135 N 0.54 3.55 0.23 3.97 6.04 0.31 -0.90 117.35 131.09 2ch4 s TYR 135 Ca 0.36 -2.67 -0.13 0.00 0.04 0.00 0.00 57.07 54.67 2ch4 s TYR 135 Cb -0.18 -3.31 -0.08 0.00 -1.04 0.00 0.00 41.96 37.36 2ch4 s TYR 135 CO 0.18 -0.84 0.61 -0.48 -1.54 0.00 0.00 175.55 173.48 2ch4 s LEU 136 N -0.29 4.20 -0.81 6.97 0.05 -1.19 0.24 118.68 127.84 2ch4 s LEU 136 Ca 0.19 1.09 -0.21 0.00 0.05 0.00 0.00 54.13 55.25 2ch4 s LEU 136 Cb -0.16 -3.67 0.09 0.00 -2.05 0.00 0.00 46.19 40.40 2ch4 s LEU 136 CO -0.06 -0.05 1.10 -0.62 -0.55 0.00 0.00 176.35 176.17 2ch4 s ASP 137 N -2.12 6.39 0.15 1.48 2.15 0.37 -4.55 116.67 120.54 2ch4 s ASP 137 Ca 0.46 -1.42 -0.16 0.00 0.43 0.00 0.00 52.55 51.86 2ch4 s ASP 137 Cb -0.12 -2.44 0.01 0.00 -0.30 0.00 0.00 42.92 40.07 2ch4 s ASP 137 CO 0.20 -1.33 1.79 -0.29 -0.17 0.00 0.00 175.17 175.37 2ch4 h ILE 138 N 6.03 1.12 -1.45 4.11 2.10 -1.92 -1.47 117.51 126.02 2ch4 h ILE 138 Ca -0.06 -0.26 0.43 0.00 1.08 0.00 0.00 64.86 66.05 2ch4 h ILE 138 Cb 1.04 0.58 -0.07 0.00 -1.09 0.00 0.00 36.82 37.28 2ch4 h ILE 138 CO 1.19 0.12 1.02 -0.78 -1.08 0.00 0.00 178.15 178.62 2ch4 h ASP 139 N 0.53 0.07 0.12 2.19 3.58 -1.95 0.12 116.42 121.08 2ch4 h ASP 139 Ca 0.14 0.03 -0.36 0.00 0.42 0.00 0.00 57.03 57.26 2ch4 h ASP 139 Cb -0.02 0.02 -0.06 0.00 1.72 0.00 0.00 39.33 40.99 2ch4 h ASP 139 CO -0.03 -0.02 -2.21 0.29 -2.88 0.00 0.00 179.24 174.39 2ch4 n LYS 140 N -4.21 0.68 0.12 0.28 5.02 -0.77 -3.32 118.16 115.96 2ch4 n LYS 140 Ca 0.33 0.13 0.11 0.00 -2.02 0.00 0.00 58.31 56.86 2ch4 n LYS 140 Cb 1.50 -1.61 0.48 0.00 -0.02 0.00 0.00 35.03 35.38 2ch4 n LYS 140 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2ch4 n ILE 141 N -3.04 0.96 -0.05 -0.18 -5.35 0.21 -0.06 119.36 111.85 2ch4 n ILE 141 Ca -0.33 0.40 -0.15 0.00 -0.27 0.00 0.00 62.75 62.41 2ch4 n ILE 141 Cb 1.08 -1.34 -0.13 0.00 -1.74 0.00 0.00 39.64 37.51 2ch4 n ILE 141 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 2ch4 h ILE 142 N 0.00 1.73 -0.81 7.28 2.04 -1.13 -3.15 117.51 123.48 2ch4 h ILE 142 Ca 0.00 -2.30 0.21 0.00 1.00 0.00 0.00 64.86 63.77 2ch4 h ILE 142 Cb 0.23 3.28 -0.04 0.00 -0.74 0.00 0.00 36.82 39.55 2ch4 h ILE 142 CO 0.00 0.61 0.56 -0.08 0.00 0.00 0.00 178.15 179.23 2ch4 h GLU 143 N -0.87 0.17 0.00 2.37 4.57 -0.82 0.81 114.58 120.81 2ch4 h GLU 143 Ca -0.02 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2ch4 h GLU 143 Cb 1.06 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 2ch4 h GLU 143 CO 0.02 0.12 0.00 0.39 -1.18 0.00 0.00 179.01 178.36 2ch4 n GLU 144 N -4.39 0.45 0.06 1.92 1.02 0.92 -3.56 120.64 117.05 2ch4 n GLU 144 Ca 0.16 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 2ch4 n GLU 144 Cb 0.75 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 2ch4 n GLU 144 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2ch4 n ILE 145 N -1.04 0.58 0.33 -3.67 5.41 0.27 -4.80 119.36 116.44 2ch4 n ILE 145 Ca 0.11 0.19 0.09 0.00 1.00 0.00 0.00 62.75 64.14 2ch4 n ILE 145 Cb 0.06 -1.23 0.47 0.00 -0.71 0.00 0.00 39.64 38.23 2ch4 n ILE 145 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2ch4 h THR 146 N 0.00 0.00 -0.03 1.39 1.35 -1.36 -3.52 112.91 110.74 2ch4 h THR 146 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2ch4 h THR 146 Cb 0.22 0.38 0.00 0.00 -1.73 0.00 0.00 68.15 67.02 2ch4 h THR 146 CO 0.00 0.00 0.00 0.52 -0.25 0.00 0.00 175.52 175.79