#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oo5 s VAL 31 N 0.00 5.23 -1.05 2.46 1.01 -1.26 -4.70 120.40 122.09 2oo5 s VAL 31 Ca 0.00 0.12 -0.18 0.00 0.00 0.00 0.00 61.98 61.92 2oo5 s VAL 31 Cb 0.00 -3.33 0.13 0.00 0.00 0.00 0.00 36.38 33.17 2oo5 s VAL 31 CO 0.00 0.52 1.31 -0.75 0.00 0.00 0.00 175.10 176.18 2oo5 s LYS 32 N -0.20 3.77 0.55 2.72 2.20 -1.26 -5.02 119.74 122.49 2oo5 s LYS 32 Ca 0.10 -1.92 -0.17 0.00 -0.36 0.00 0.00 55.97 53.62 2oo5 s LYS 32 Cb -0.12 -5.07 -0.06 0.00 -1.51 0.00 0.00 37.83 31.08 2oo5 s LYS 32 CO 0.01 -1.87 1.03 0.00 -0.36 0.00 0.00 175.35 174.16 2oo5 s ALA 33 N 2.82 2.86 0.14 3.13 0.00 -1.26 -1.97 121.76 127.48 2oo5 s ALA 33 Ca 0.39 0.36 -0.10 0.00 0.00 0.00 0.00 51.96 52.61 2oo5 s ALA 33 Cb -0.03 -3.20 -0.00 0.00 0.00 0.00 0.00 23.12 19.89 2oo5 s ALA 33 CO -0.05 -0.55 0.27 0.20 0.00 0.00 0.00 175.76 175.63 2oo5 s GLY 34 N -2.76 0.27 0.50 0.00 0.00 0.44 -4.84 107.32 100.94 2oo5 s GLY 34 Ca 0.63 -0.71 0.07 0.00 0.00 0.00 0.00 44.72 44.71 2oo5 s GLY 34 CO 0.32 -0.77 0.60 -1.14 0.00 0.00 0.00 173.10 172.12 2oo5 n SER 35 N -0.17 2.05 -0.14 1.64 3.41 -1.26 -4.30 113.62 114.85 2oo5 n SER 35 Ca -0.11 -2.44 -0.11 0.00 -0.26 0.00 0.00 58.87 55.96 2oo5 n SER 35 Cb 0.63 -0.28 -0.01 0.00 -0.26 0.00 0.00 64.21 64.29 2oo5 n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2oo5 h ALA 36 N 0.31 0.58 -0.25 7.33 0.00 -1.92 -2.56 119.26 122.75 2oo5 h ALA 36 Ca -0.26 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.29 2oo5 h ALA 36 Cb 1.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2oo5 h ALA 36 CO 0.38 0.47 0.04 0.93 0.00 0.00 0.00 179.25 181.07 2oo5 h GLU 37 N 0.64 0.36 -0.17 0.00 3.07 -1.94 -1.05 114.58 115.49 2oo5 h GLU 37 Ca 0.10 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.89 2oo5 h GLU 37 Cb 0.66 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.50 2oo5 h GLU 37 CO 0.05 0.36 0.01 -0.44 -1.40 0.00 0.00 179.01 177.58 2oo5 h ASP 38 N 0.36 0.28 0.63 1.42 5.19 -1.92 -2.90 116.42 119.48 2oo5 h ASP 38 Ca 0.09 -0.30 -0.02 0.00 -0.62 0.00 0.00 57.03 56.17 2oo5 h ASP 38 Cb 0.18 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.61 2oo5 h ASP 38 CO -0.00 0.51 -0.12 0.00 -3.12 0.00 0.00 179.24 176.51 2oo5 h ALA 39 N 0.78 1.12 -0.08 3.45 0.00 -1.23 -2.89 119.26 120.41 2oo5 h ALA 39 Ca 0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2oo5 h ALA 39 Cb 0.36 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2oo5 h ALA 39 CO 0.01 0.15 -0.05 0.00 0.00 0.00 0.00 179.25 179.35 2oo5 h ALA 40 N 1.88 0.11 -0.40 0.00 0.00 -1.10 -3.16 119.26 116.59 2oo5 h ALA 40 Ca -0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2oo5 h ALA 40 Cb 0.46 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2oo5 h ALA 40 CO 0.02 -0.11 0.21 0.74 0.00 0.00 0.00 179.25 180.11 2oo5 h PHE 41 N -0.23 0.55 -0.51 0.00 0.04 -1.44 -1.55 116.94 113.80 2oo5 h PHE 41 Ca 0.02 -0.02 0.10 0.00 2.80 0.00 0.00 57.97 60.87 2oo5 h PHE 41 Cb 0.53 -0.17 -0.08 0.00 2.20 0.00 0.00 35.95 38.42 2oo5 h PHE 41 CO 0.08 0.43 0.04 0.82 -0.60 0.00 0.00 178.31 179.08 2oo5 h ILE 42 N 0.51 0.64 0.00 -0.55 1.08 -1.58 -2.53 117.51 115.07 2oo5 h ILE 42 Ca 0.14 -0.06 -0.14 0.00 -0.39 0.00 0.00 64.86 64.41 2oo5 h ILE 42 Cb 0.07 0.46 -0.03 0.00 -3.07 0.00 0.00 36.82 34.25 2oo5 h ILE 42 CO -0.02 0.03 -1.50 0.23 -0.69 0.00 0.00 178.15 176.20 2oo5 n MET 43 N -5.19 0.63 -0.29 2.37 2.81 -1.19 -3.78 117.12 112.48 2oo5 n MET 43 Ca 0.06 0.14 -0.02 0.00 -1.81 0.00 0.00 57.70 56.07 2oo5 n MET 43 Cb 0.27 -1.76 0.10 0.00 -0.71 0.00 0.00 33.22 31.13 2oo5 n MET 43 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2oo5 h LYS 44 N 0.00 0.97 -1.78 0.03 1.57 -1.19 -3.18 116.57 112.98 2oo5 h LYS 44 Ca -0.16 -0.06 -0.69 0.00 -1.87 0.00 0.00 60.65 57.88 2oo5 h LYS 44 Cb 1.50 -0.22 -0.25 0.00 0.08 0.00 0.00 32.23 33.34 2oo5 h LYS 44 CO 0.03 0.64 0.89 0.09 -0.57 0.00 0.00 179.45 180.54 2oo5 n ASN 45 N -4.59 7.36 -4.10 0.86 3.02 -0.96 -4.94 115.26 111.91 2oo5 n ASN 45 Ca 0.09 -3.69 -0.14 0.00 -0.03 0.00 0.00 54.58 50.81 2oo5 n ASN 45 Cb 0.09 -1.08 -0.11 0.00 -0.61 0.00 0.00 39.78 38.07 2oo5 n ASN 45 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2oo5 s ALA 46 N -3.55 0.74 -0.17 5.41 0.00 -1.20 -5.00 121.76 117.99 2oo5 s ALA 46 Ca 0.55 -0.88 -0.09 0.00 0.00 0.00 0.00 51.96 51.54 2oo5 s ALA 46 Cb 0.44 0.03 -0.22 0.00 0.00 0.00 0.00 23.12 23.36 2oo5 s ALA 46 CO -0.29 -0.01 0.18 0.43 0.00 0.00 0.00 175.76 176.07 2oo5 n SER 47 N 1.24 2.04 -3.97 0.00 7.64 -1.26 -4.76 113.62 114.55 2oo5 n SER 47 Ca -0.21 0.20 -0.22 0.00 1.01 0.00 0.00 58.87 59.65 2oo5 n SER 47 Cb 0.55 -0.80 -0.16 0.00 -1.01 0.00 0.00 64.21 62.79 2oo5 n SER 47 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2oo5 s LYS 48 N -2.51 1.17 -0.08 1.43 2.20 -1.26 -0.78 119.74 119.92 2oo5 s LYS 48 Ca -0.27 -0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.07 2oo5 s LYS 48 Cb 0.07 -1.05 0.02 0.00 -1.51 0.00 0.00 37.83 35.36 2oo5 s LYS 48 CO 0.68 0.02 -0.06 0.08 -0.36 0.00 0.00 175.35 175.72 2oo5 s VAL 49 N 0.59 0.76 -0.35 4.02 1.01 0.19 -1.44 120.40 125.19 2oo5 s VAL 49 Ca -0.10 -0.18 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 2oo5 s VAL 49 Cb -0.13 -0.79 0.04 0.00 0.00 0.00 0.00 36.38 35.49 2oo5 s VAL 49 CO 0.02 0.30 0.13 -0.63 0.00 0.00 0.00 175.10 174.92 2oo5 s ILE 50 N 1.35 4.02 -0.06 2.22 1.01 -0.47 -2.52 121.20 126.75 2oo5 s ILE 50 Ca -0.03 -1.04 -0.30 0.00 0.00 0.00 0.00 60.65 59.28 2oo5 s ILE 50 Cb -0.14 -3.26 -0.02 0.00 0.01 0.00 0.00 42.46 39.05 2oo5 s ILE 50 CO -0.03 -0.19 1.01 -0.63 0.00 0.00 0.00 174.94 175.10 2oo5 s ILE 51 N 1.45 4.79 -0.49 2.92 1.01 0.46 -1.56 121.20 129.77 2oo5 s ILE 51 Ca -0.00 2.03 0.01 0.00 0.00 0.00 0.00 60.65 62.68 2oo5 s ILE 51 Cb -0.19 -4.30 0.13 0.00 0.01 0.00 0.00 42.46 38.11 2oo5 s ILE 51 CO 0.04 0.07 0.26 -0.69 0.00 0.00 0.00 174.94 174.61 2oo5 s VAL 52 N 1.60 2.93 0.23 2.92 1.01 0.26 -0.59 120.40 128.76 2oo5 s VAL 52 Ca 0.50 -2.82 -0.15 0.00 0.00 0.00 0.00 61.98 59.50 2oo5 s VAL 52 Cb -0.20 -3.02 -0.08 0.00 0.00 0.00 0.00 36.38 33.09 2oo5 s VAL 52 CO 0.22 -0.76 0.65 -2.16 0.00 0.00 0.00 175.10 173.05 2oo5 s PRO 53 N 0.24 4.04 0.00 2.72 0.04 -1.26 -0.97 135.00 139.81 2oo5 s PRO 53 Ca 0.14 0.62 0.00 0.00 0.04 0.00 0.00 61.00 61.80 2oo5 s PRO 53 Cb -0.22 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.58 2oo5 s PRO 53 CO -0.03 0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.76 2oo5 n GLY 54 N 0.31 3.66 0.38 0.56 0.00 -0.82 -4.75 105.19 104.52 2oo5 n GLY 54 Ca -0.01 -1.39 0.15 0.00 0.00 0.00 0.00 46.02 44.76 2oo5 n GLY 54 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2oo5 h TYR 55 N 0.75 0.85 -0.40 1.61 3.20 -1.76 -1.69 116.97 119.52 2oo5 h TYR 55 Ca 0.00 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.90 2oo5 h TYR 55 Cb 0.00 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 2oo5 h TYR 55 CO 0.00 0.23 0.27 0.78 -1.64 0.00 0.00 178.16 177.80 2oo5 h GLY 56 N 0.64 0.56 1.01 1.82 0.00 -0.99 -1.81 103.07 104.31 2oo5 h GLY 56 Ca 0.52 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.60 2oo5 h GLY 56 CO -0.27 0.20 0.26 1.98 0.00 0.00 0.00 176.54 178.71 2oo5 h MET 57 N 0.54 0.99 -0.46 4.80 1.85 -1.44 -1.71 114.93 119.50 2oo5 h MET 57 Ca 0.15 -0.18 -0.03 0.00 -0.61 0.00 0.00 59.70 59.03 2oo5 h MET 57 Cb -0.05 -0.16 -0.02 0.00 0.43 0.00 0.00 31.60 31.80 2oo5 h MET 57 CO -0.03 0.83 0.17 0.00 -0.40 0.00 0.00 176.91 177.47 2oo5 h ALA 58 N 1.11 0.59 -0.02 0.39 0.00 -1.41 0.21 119.26 120.14 2oo5 h ALA 58 Ca 0.22 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2oo5 h ALA 58 Cb 0.21 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2oo5 h ALA 58 CO -0.02 0.22 0.01 0.28 0.00 0.00 0.00 179.25 179.74 2oo5 h VAL 59 N 0.60 1.10 0.00 0.00 2.07 -1.26 -2.56 116.25 116.19 2oo5 h VAL 59 Ca 0.15 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 2oo5 h VAL 59 Cb 0.22 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2oo5 h VAL 59 CO -0.01 0.08 -0.21 0.00 0.02 0.00 0.00 177.57 177.45 2oo5 h ALA 60 N 0.88 1.20 -5.05 1.67 0.00 -1.31 -3.47 119.26 113.18 2oo5 h ALA 60 Ca 0.01 -0.19 -0.23 0.00 0.00 0.00 0.00 54.91 54.49 2oo5 h ALA 60 Cb 0.12 -0.03 0.16 0.00 0.00 0.00 0.00 17.79 18.04 2oo5 h ALA 60 CO -0.00 0.27 -0.69 0.94 0.00 0.00 0.00 179.25 179.76 2oo5 n GLN 61 N -3.64 -3.24 -0.99 0.00 -0.06 0.68 -4.61 117.38 105.52 2oo5 n GLN 61 Ca -0.01 0.72 -0.08 0.00 -2.00 0.00 0.00 57.00 55.63 2oo5 n GLN 61 Cb 0.34 -5.20 0.26 0.00 -4.06 0.00 0.00 30.24 21.58 2oo5 n GLN 61 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2oo5 n ALA 62 N -3.20 4.63 -0.02 1.69 0.00 -0.74 -4.66 120.51 118.21 2oo5 n ALA 62 Ca -0.13 -2.58 -0.16 0.00 0.00 0.00 0.00 53.44 50.57 2oo5 n ALA 62 Cb 0.62 -1.17 -0.09 0.00 0.00 0.00 0.00 19.45 18.80 2oo5 n ALA 62 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2oo5 h GLN 63 N 1.99 0.50 -0.10 0.00 7.50 -1.90 -1.92 115.11 121.19 2oo5 h GLN 63 Ca 0.32 -0.44 -0.19 0.00 0.50 0.00 0.00 58.65 58.84 2oo5 h GLN 63 Cb 2.28 0.10 -0.00 0.00 0.05 0.00 0.00 27.48 29.91 2oo5 h GLN 63 CO 0.73 1.07 -0.72 0.45 -1.50 0.00 0.00 178.83 178.85 2oo5 h HIS 64 N 0.08 0.66 -0.34 2.96 3.86 -1.91 -1.34 115.15 119.12 2oo5 h HIS 64 Ca -0.05 -0.28 -0.09 0.00 -1.16 0.00 0.00 60.37 58.79 2oo5 h HIS 64 Cb 1.20 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 29.55 2oo5 h HIS 64 CO 0.12 1.05 -0.18 0.00 0.86 0.00 0.00 177.93 179.78 2oo5 h ALA 65 N 0.87 1.06 -0.29 2.45 0.00 -1.90 -1.15 119.26 120.30 2oo5 h ALA 65 Ca -0.03 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 2oo5 h ALA 65 Cb 1.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2oo5 h ALA 65 CO 0.13 0.57 -0.15 1.25 0.00 0.00 0.00 179.25 181.05 2oo5 h LEU 66 N 0.56 0.63 -0.80 0.00 5.85 -1.11 -0.06 115.31 120.37 2oo5 h LEU 66 Ca 0.09 -0.41 -0.13 0.00 0.84 0.00 0.00 57.88 58.27 2oo5 h LEU 66 Cb 0.62 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2oo5 h LEU 66 CO 0.04 0.90 -0.53 -0.09 -0.34 0.00 0.00 178.44 178.43 2oo5 h ARG 67 N 0.35 0.20 -0.49 1.25 1.12 -1.26 -0.77 114.38 114.78 2oo5 h ARG 67 Ca 0.06 -0.12 -0.10 0.00 -1.11 0.00 0.00 59.98 58.71 2oo5 h ARG 67 Cb 0.67 0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.63 2oo5 h ARG 67 CO 0.04 0.68 -0.09 1.49 -3.11 0.00 0.00 179.97 178.98 2oo5 h GLU 68 N 0.16 0.93 -0.77 0.20 4.81 -1.14 -2.05 114.58 116.71 2oo5 h GLU 68 Ca 0.00 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 58.87 2oo5 h GLU 68 Cb 0.98 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.27 2oo5 h GLU 68 CO 0.08 1.00 0.41 1.98 -0.73 0.00 0.00 179.01 181.75 2oo5 h MET 69 N 0.78 1.09 -0.52 1.92 4.05 -0.84 -2.56 114.93 118.85 2oo5 h MET 69 Ca 0.13 -0.14 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2oo5 h MET 69 Cb 0.64 -0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 31.21 2oo5 h MET 69 CO 0.04 0.82 0.33 0.00 0.23 0.00 0.00 176.91 178.33 2oo5 h ALA 70 N 1.21 1.60 -0.43 0.39 0.00 -0.99 -2.37 119.26 118.66 2oo5 h ALA 70 Ca 0.27 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 2oo5 h ALA 70 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2oo5 h ALA 70 CO -0.04 0.36 -0.05 -0.44 0.00 0.00 0.00 179.25 179.08 2oo5 h ASP 71 N 0.71 0.79 0.41 0.00 3.32 -0.98 -2.04 116.42 118.63 2oo5 h ASP 71 Ca 0.19 -0.33 -0.13 0.00 0.02 0.00 0.00 57.03 56.78 2oo5 h ASP 71 Cb -0.05 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 2oo5 h ASP 71 CO -0.04 0.94 -0.55 1.62 -1.72 0.00 0.00 179.24 179.48 2oo5 h VAL 72 N 0.63 1.38 0.22 -1.35 3.04 -1.24 0.11 116.25 119.04 2oo5 h VAL 72 Ca 0.12 -1.88 -0.01 0.00 -1.01 0.00 0.00 66.70 63.91 2oo5 h VAL 72 Cb 0.56 1.96 0.00 0.00 -2.01 0.00 0.00 31.29 31.80 2oo5 h VAL 72 CO 0.03 0.55 -0.10 -0.07 -1.01 0.00 0.00 177.57 176.97 2oo5 h LEU 73 N 0.12 -0.25 -1.45 3.16 -0.00 -1.43 -3.18 115.31 112.28 2oo5 h LEU 73 Ca -0.00 -0.15 0.03 0.00 -0.00 0.00 0.00 57.88 57.76 2oo5 h LEU 73 Cb 1.02 0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 41.71 2oo5 h LEU 73 CO 0.08 0.01 0.40 0.11 -0.00 0.00 0.00 178.44 179.04 2oo5 h LYS 74 N -0.51 0.70 -0.89 1.13 1.57 -1.21 -2.07 116.57 115.29 2oo5 h LYS 74 Ca -0.03 -0.04 0.10 0.00 -1.87 0.00 0.00 60.65 58.81 2oo5 h LYS 74 Cb 0.38 -0.16 -0.07 0.00 0.08 0.00 0.00 32.23 32.46 2oo5 h LYS 74 CO 0.05 0.46 0.53 -0.22 -0.57 0.00 0.00 179.45 179.70 2oo5 h LYS 75 N 0.72 0.86 -1.06 3.15 3.64 -0.77 -1.48 116.57 121.62 2oo5 h LYS 75 Ca 0.24 -0.05 -0.61 0.00 -1.27 0.00 0.00 60.65 58.96 2oo5 h LYS 75 Cb 0.06 -0.19 -0.27 0.00 -0.41 0.00 0.00 32.23 31.42 2oo5 h LYS 75 CO -0.06 0.57 0.78 -0.85 -2.27 0.00 0.00 179.45 177.62 2oo5 n GLU 76 N -4.69 2.50 -1.00 1.90 0.28 -1.02 -4.93 120.64 113.69 2oo5 n GLU 76 Ca 0.15 -3.01 0.00 0.00 -0.16 0.00 0.00 57.16 54.14 2oo5 n GLU 76 Cb 0.28 -2.18 0.00 0.00 1.43 0.00 0.00 31.44 30.97 2oo5 n GLU 76 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2oo5 n GLY 77 N -0.79 0.41 3.74 -1.84 0.00 -0.56 -5.01 105.19 101.14 2oo5 n GLY 77 Ca 0.58 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.20 2oo5 n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oo5 s VAL 78 N -1.81 4.70 -0.16 1.61 1.01 -0.81 -4.98 120.40 119.95 2oo5 s VAL 78 Ca 0.00 1.73 -0.29 0.00 0.00 0.00 0.00 61.98 63.42 2oo5 s VAL 78 Cb 0.00 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 2oo5 s VAL 78 CO 0.00 0.34 1.22 -1.61 0.00 0.00 0.00 175.10 175.05 2oo5 s GLU 79 N 0.04 4.25 0.00 2.72 2.02 0.04 -3.92 118.70 123.86 2oo5 s GLU 79 Ca 0.41 1.62 0.07 0.00 0.02 0.00 0.00 54.97 57.08 2oo5 s GLU 79 Cb -0.21 -3.72 -0.03 0.00 0.10 0.00 0.00 34.13 30.27 2oo5 s GLU 79 CO 0.24 -0.67 -0.21 0.08 0.02 0.00 0.00 175.26 174.73 2oo5 s VAL 80 N 3.31 2.53 0.02 2.63 1.01 -1.26 -0.63 120.40 128.01 2oo5 s VAL 80 Ca 0.53 -1.10 -0.23 0.00 0.00 0.00 0.00 61.98 61.18 2oo5 s VAL 80 Cb -0.21 -1.99 0.05 0.00 0.00 0.00 0.00 36.38 34.24 2oo5 s VAL 80 CO 0.14 0.47 0.53 -0.94 0.00 0.00 0.00 175.10 175.29 2oo5 s SER 81 N -1.02 -0.45 -0.05 3.32 1.04 -1.05 -4.94 113.70 110.54 2oo5 s SER 81 Ca 0.12 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.81 2oo5 s SER 81 Cb -0.10 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 2oo5 s SER 81 CO 0.02 -0.67 -0.03 -0.31 0.98 0.00 0.00 173.24 173.23 2oo5 s TYR 82 N -2.12 3.05 -0.32 5.02 1.51 0.34 -0.41 117.35 124.43 2oo5 s TYR 82 Ca -0.07 0.10 0.03 0.00 -1.01 0.00 0.00 57.07 56.12 2oo5 s TYR 82 Cb -0.01 -1.72 0.09 0.00 -0.11 0.00 0.00 41.96 40.21 2oo5 s TYR 82 CO 0.01 0.42 0.01 0.00 -1.11 0.00 0.00 175.55 174.87 2oo5 s ALA 83 N -0.91 2.74 -0.38 3.71 0.00 0.24 -1.67 121.76 125.48 2oo5 s ALA 83 Ca 0.15 -2.28 -0.15 0.00 0.00 0.00 0.00 51.96 49.67 2oo5 s ALA 83 Cb -0.11 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.17 2oo5 s ALA 83 CO 0.04 -1.55 0.35 0.42 0.00 0.00 0.00 175.76 175.02 2oo5 s ILE 84 N 0.99 5.19 0.30 0.00 -1.09 -0.83 -4.21 121.20 121.55 2oo5 s ILE 84 Ca 0.05 -0.29 -0.29 0.00 -2.23 0.00 0.00 60.65 57.89 2oo5 s ILE 84 Cb -0.19 -3.90 -0.10 0.00 -1.58 0.00 0.00 42.46 36.70 2oo5 s ILE 84 CO -0.08 -0.23 1.12 -2.28 -1.23 0.00 0.00 174.94 172.24 2oo5 s HIS 85 N 1.92 3.49 0.32 3.97 2.46 -1.26 -3.82 115.29 122.36 2oo5 s HIS 85 Ca 0.09 1.66 0.09 0.00 0.47 0.00 0.00 55.06 57.38 2oo5 s HIS 85 Cb -0.17 -3.32 0.87 0.00 -0.13 0.00 0.00 32.58 29.83 2oo5 s HIS 85 CO 0.12 -0.72 1.74 -1.00 -2.47 0.00 0.00 174.74 172.41 2oo5 h PRO 86 N 3.66 0.59 -0.67 2.88 0.13 -1.97 -1.09 132.00 135.53 2oo5 h PRO 86 Ca -0.47 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2oo5 h PRO 86 Cb 1.21 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2oo5 h PRO 86 CO 0.66 0.39 0.00 1.33 -0.23 0.00 0.00 178.00 180.15 2oo5 n VAL 87 N -4.85 1.75 -1.80 1.56 0.24 -1.26 -4.65 118.33 109.33 2oo5 n VAL 87 Ca 0.26 -1.15 -0.41 0.00 -2.04 0.00 0.00 64.34 61.00 2oo5 n VAL 87 Cb 0.72 0.13 -0.02 0.00 -1.47 0.00 0.00 33.84 33.21 2oo5 n VAL 87 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2oo5 s ALA 88 N -1.80 3.75 0.00 2.33 0.00 -0.42 -4.68 121.76 120.94 2oo5 s ALA 88 Ca 0.50 1.55 0.00 0.00 0.00 0.00 0.00 51.96 54.01 2oo5 s ALA 88 Cb 0.32 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2oo5 s ALA 88 CO 0.25 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.46 2oo5 n GLY 89 N 2.29 -0.89 0.08 0.00 0.00 -1.26 -4.31 105.19 101.09 2oo5 n GLY 89 Ca 0.09 -1.54 0.09 0.00 0.00 0.00 0.00 46.02 44.66 2oo5 n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oo5 n ARG 90 N 0.00 1.35 -3.54 1.61 5.12 -1.26 -4.81 116.66 115.13 2oo5 n ARG 90 Ca 0.00 -2.47 -0.12 0.00 -1.93 0.00 0.00 57.85 53.33 2oo5 n ARG 90 Cb 0.00 -1.44 -0.05 0.00 -1.16 0.00 0.00 32.46 29.81 2oo5 n ARG 90 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2oo5 s MET 91 N -2.69 0.78 0.16 5.56 0.23 -1.26 -5.08 119.30 116.99 2oo5 s MET 91 Ca 0.29 0.06 -0.32 0.00 -1.03 0.00 0.00 55.69 54.69 2oo5 s MET 91 Cb 0.26 0.36 -0.12 0.00 -1.53 0.00 0.00 34.83 33.80 2oo5 s MET 91 CO 0.03 -0.27 1.74 -2.30 -2.03 0.00 0.00 175.02 172.19 2oo5 n PRO 92 N 0.54 2.63 -2.42 3.16 -0.02 -1.26 -2.41 135.00 135.22 2oo5 n PRO 92 Ca -0.12 0.95 -0.10 0.00 -2.02 0.00 0.00 63.50 62.21 2oo5 n PRO 92 Cb 0.59 -2.80 0.01 0.00 -0.02 0.00 0.00 33.50 31.27 2oo5 n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oo5 n GLY 93 N 3.97 0.07 0.13 -1.23 0.00 -1.26 -4.97 105.19 101.90 2oo5 n GLY 93 Ca 0.17 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 2oo5 n GLY 93 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2oo5 h HIS 94 N -0.36 0.37 -0.16 1.61 2.76 -1.66 -2.99 115.15 114.72 2oo5 h HIS 94 Ca -0.23 -0.06 -0.12 0.00 -2.20 0.00 0.00 60.37 57.75 2oo5 h HIS 94 Cb 1.17 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 30.02 2oo5 h HIS 94 CO 0.24 0.54 -0.43 0.52 -1.30 0.00 0.00 177.93 177.51 2oo5 h MET 95 N 0.10 0.37 -0.31 5.26 2.86 -1.87 -3.16 114.93 118.19 2oo5 h MET 95 Ca 0.06 -0.19 -0.04 0.00 -2.06 0.00 0.00 59.70 57.46 2oo5 h MET 95 Cb 0.39 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 2oo5 h MET 95 CO 0.01 0.73 0.03 -0.91 1.06 0.00 0.00 176.91 177.83 2oo5 h ASN 96 N 0.31 0.51 -0.66 1.22 4.21 -1.95 0.20 115.58 119.41 2oo5 h ASN 96 Ca 0.03 -0.28 -0.07 0.00 1.21 0.00 0.00 56.30 57.18 2oo5 h ASN 96 Cb 0.88 -0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 37.92 2oo5 h ASN 96 CO 0.07 0.66 0.12 1.62 -1.29 0.00 0.00 177.43 178.62 2oo5 h VAL 97 N 0.33 1.26 -0.14 2.81 3.04 -1.60 -1.02 116.25 120.94 2oo5 h VAL 97 Ca 0.09 -1.01 -0.17 0.00 -1.01 0.00 0.00 66.70 64.60 2oo5 h VAL 97 Cb 0.39 0.64 -0.01 0.00 -2.01 0.00 0.00 31.29 30.30 2oo5 h VAL 97 CO 0.01 0.38 -0.62 -0.07 -1.01 0.00 0.00 177.57 176.26 2oo5 h LEU 98 N 1.00 0.55 -0.57 3.16 3.38 -1.49 -1.73 115.31 119.61 2oo5 h LEU 98 Ca 0.20 -0.32 -0.16 0.00 0.09 0.00 0.00 57.88 57.70 2oo5 h LEU 98 Cb 0.42 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2oo5 h LEU 98 CO 0.01 1.03 -0.58 -0.07 0.09 0.00 0.00 178.44 178.92 2oo5 h LEU 99 N 0.35 0.47 -0.94 1.67 3.38 -0.92 -2.90 115.31 116.43 2oo5 h LEU 99 Ca -0.01 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 2oo5 h LEU 99 Cb 1.17 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 2oo5 h LEU 99 CO 0.11 0.95 0.06 0.00 0.09 0.00 0.00 178.44 179.65 2oo5 h ALA 100 N 1.05 1.12 -0.81 1.53 0.00 -1.08 -2.48 119.26 118.60 2oo5 h ALA 100 Ca -0.00 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.72 2oo5 h ALA 100 Cb 1.11 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 2oo5 h ALA 100 CO 0.10 0.57 0.53 1.49 0.00 0.00 0.00 179.25 181.94 2oo5 h GLU 101 N 0.79 0.90 -0.02 0.00 4.81 -1.24 -2.31 114.58 117.52 2oo5 h GLU 101 Ca 0.16 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2oo5 h GLU 101 Cb 0.39 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2oo5 h GLU 101 CO 0.01 0.59 0.00 0.00 -0.73 0.00 0.00 179.01 178.88 2oo5 n ALA 102 N -2.42 2.63 -3.51 2.92 0.00 -0.97 -4.96 120.51 114.20 2oo5 n ALA 102 Ca 0.12 -0.31 -0.20 0.00 0.00 0.00 0.00 53.44 53.05 2oo5 n ALA 102 Cb 0.18 -1.34 0.08 0.00 0.00 0.00 0.00 19.45 18.38 2oo5 n ALA 102 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2oo5 n ASN 103 N -0.45 -4.14 -4.74 0.00 3.02 -0.87 -4.91 115.26 103.16 2oo5 n ASN 103 Ca 0.21 -0.58 -0.41 0.00 -0.03 0.00 0.00 54.58 53.77 2oo5 n ASN 103 Cb 0.21 -5.06 -0.04 0.00 -0.61 0.00 0.00 39.78 34.27 2oo5 n ASN 103 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2oo5 s VAL 104 N -3.34 3.85 0.36 2.41 -7.23 -1.02 -5.01 120.40 110.43 2oo5 s VAL 104 Ca 0.28 1.69 -0.28 0.00 -1.81 0.00 0.00 61.98 61.86 2oo5 s VAL 104 Cb -0.12 -4.08 -0.11 0.00 0.56 0.00 0.00 36.38 32.63 2oo5 s VAL 104 CO 0.73 0.33 1.42 -2.84 -0.31 0.00 0.00 175.10 174.43 2oo5 s PRO 105 N -0.72 4.17 0.41 4.82 0.02 -1.26 -4.79 135.00 137.65 2oo5 s PRO 105 Ca 0.47 2.43 0.07 0.00 0.02 0.00 0.00 61.00 64.00 2oo5 s PRO 105 Cb -0.29 -2.99 0.85 0.00 0.02 0.00 0.00 34.50 32.09 2oo5 s PRO 105 CO 0.36 -0.42 2.03 1.88 -0.33 0.00 0.00 177.00 180.51 2oo5 h TYR 106 N 3.10 0.47 0.00 6.54 0.05 -1.95 -2.64 116.97 122.53 2oo5 h TYR 106 Ca -0.50 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.28 2oo5 h TYR 106 Cb 1.24 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.82 2oo5 h TYR 106 CO 0.54 0.33 0.00 -0.40 -1.05 0.00 0.00 178.16 177.58 2oo5 n ASP 107 N -4.44 0.02 0.01 3.88 5.75 -1.26 -1.59 116.55 118.92 2oo5 n ASP 107 Ca 0.02 0.51 0.11 0.00 -0.01 0.00 0.00 54.79 55.42 2oo5 n ASP 107 Cb 0.10 -0.51 0.11 0.00 -1.03 0.00 0.00 41.12 39.79 2oo5 n ASP 107 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2oo5 n GLU 108 N -1.53 0.07 -3.50 0.11 1.02 -1.00 -4.94 120.64 110.88 2oo5 n GLU 108 Ca 0.03 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.80 2oo5 n GLU 108 Cb 0.15 -1.53 -0.06 0.00 -0.02 0.00 0.00 31.44 29.98 2oo5 n GLU 108 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2oo5 s VAL 109 N -3.05 5.21 0.02 2.62 1.01 -0.62 -0.51 120.40 125.09 2oo5 s VAL 109 Ca 0.09 0.70 0.02 0.00 0.00 0.00 0.00 61.98 62.78 2oo5 s VAL 109 Cb 0.16 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 2oo5 s VAL 109 CO 0.76 0.45 -0.07 -0.36 0.00 0.00 0.00 175.10 175.88 2oo5 s PHE 110 N -0.06 0.61 0.76 5.22 0.40 -0.67 -4.95 117.98 119.28 2oo5 s PHE 110 Ca 0.21 -0.30 -0.12 0.00 -0.60 0.00 0.00 56.93 56.12 2oo5 s PHE 110 Cb -0.14 -0.37 0.05 0.00 0.51 0.00 0.00 43.02 43.06 2oo5 s PHE 110 CO 0.08 -0.04 1.10 -1.83 0.70 0.00 0.00 175.22 175.23 2oo5 s GLU 111 N -0.88 2.38 0.19 0.44 -1.05 -1.26 -1.96 118.70 116.55 2oo5 s GLU 111 Ca -0.04 0.53 -0.14 0.00 -0.15 0.00 0.00 54.97 55.18 2oo5 s GLU 111 Cb -0.06 -1.96 0.19 0.00 -0.44 0.00 0.00 34.13 31.86 2oo5 s GLU 111 CO 0.00 -1.39 1.68 1.25 0.95 0.00 0.00 175.26 177.75 2oo5 h LEU 112 N -0.92 -0.22 -0.90 1.83 6.46 -1.96 -2.48 115.31 117.12 2oo5 h LEU 112 Ca -0.46 0.12 -0.11 0.00 -0.12 0.00 0.00 57.88 57.30 2oo5 h LEU 112 Cb 1.27 0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 41.40 2oo5 h LEU 112 CO 0.62 -0.07 -0.46 -0.33 -0.62 0.00 0.00 178.44 177.57 2oo5 h GLU 113 N 0.11 0.19 -0.29 1.25 5.08 -1.95 -1.77 114.58 117.21 2oo5 h GLU 113 Ca 0.25 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2oo5 h GLU 113 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2oo5 h GLU 113 CO -0.42 0.62 0.01 0.93 -1.00 0.00 0.00 179.01 179.16 2oo5 h GLU 114 N 0.16 0.50 0.00 2.33 5.08 -1.84 -3.39 114.58 117.42 2oo5 h GLU 114 Ca 0.01 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 2oo5 h GLU 114 Cb 0.88 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2oo5 h GLU 114 CO 0.07 0.64 -2.01 1.51 -1.00 0.00 0.00 179.01 178.22 2oo5 n ILE 115 N -4.60 0.11 -0.27 3.13 3.06 -1.00 -4.54 119.36 115.25 2oo5 n ILE 115 Ca -0.03 -0.52 0.21 0.00 -2.50 0.00 0.00 62.75 59.91 2oo5 n ILE 115 Cb 0.24 -0.03 0.52 0.00 0.54 0.00 0.00 39.64 40.91 2oo5 n ILE 115 CO 0.00 0.00 0.00 0.78 -2.50 0.00 0.00 176.55 174.83 2oo5 h ASN 116 N 0.00 0.40 0.03 9.51 2.35 -1.52 0.12 115.58 126.47 2oo5 h ASN 116 Ca -0.05 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 2oo5 h ASN 116 Cb 1.09 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.43 2oo5 h ASN 116 CO 0.00 0.14 -0.09 0.28 -1.65 0.00 0.00 177.43 176.11 2oo5 h SER 117 N 0.39 0.14 0.97 5.81 0.02 -1.85 -3.18 113.55 115.85 2oo5 h SER 117 Ca 0.51 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.44 2oo5 h SER 117 Cb 1.31 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2oo5 h SER 117 CO -0.20 0.26 0.00 -1.20 -1.14 0.00 0.00 176.83 174.55 2oo5 n SER 118 N -4.35 0.70 0.12 3.07 7.64 0.43 -3.36 113.62 117.87 2oo5 n SER 118 Ca -0.01 0.63 0.02 0.00 1.01 0.00 0.00 58.87 60.53 2oo5 n SER 118 Cb 0.22 -0.80 0.39 0.00 -1.01 0.00 0.00 64.21 63.01 2oo5 n SER 118 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 2oo5 h PHE 119 N 0.00 0.25 -0.86 1.43 -1.00 -1.64 -2.10 116.94 113.02 2oo5 h PHE 119 Ca 0.00 -0.03 0.06 0.00 2.81 0.00 0.00 57.97 60.81 2oo5 h PHE 119 Cb 0.48 -0.07 -0.06 0.00 3.61 0.00 0.00 35.95 39.91 2oo5 h PHE 119 CO 0.00 0.37 0.54 1.96 -1.61 0.00 0.00 178.31 179.56 2oo5 h GLN 120 N 0.23 0.96 -0.05 1.51 4.20 -1.73 -2.61 115.11 117.62 2oo5 h GLN 120 Ca 0.05 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2oo5 h GLN 120 Cb 0.36 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2oo5 h GLN 120 CO 0.02 0.63 0.00 0.25 -0.67 0.00 0.00 178.83 179.06 2oo5 n THR 121 N -4.61 0.05 -3.10 -0.54 -2.24 -1.01 -4.83 114.28 97.99 2oo5 n THR 121 Ca 0.12 -0.28 -0.39 0.00 -2.27 0.00 0.00 64.05 61.23 2oo5 n THR 121 Cb 0.17 0.49 -0.05 0.00 -2.10 0.00 0.00 70.33 68.84 2oo5 n THR 121 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2oo5 s ALA 122 N -1.95 3.39 0.08 6.98 0.00 -0.82 -4.75 121.76 124.69 2oo5 s ALA 122 Ca 0.37 0.03 -0.16 0.00 0.00 0.00 0.00 51.96 52.19 2oo5 s ALA 122 Cb 0.20 -2.90 -0.10 0.00 0.00 0.00 0.00 23.12 20.32 2oo5 s ALA 122 CO 0.32 -0.14 1.40 -0.44 0.00 0.00 0.00 175.76 176.89 2oo5 h ASP 123 N 6.84 0.66 -3.78 0.00 3.32 -1.55 -1.98 116.42 119.92 2oo5 h ASP 123 Ca -0.40 -0.48 -0.48 0.00 0.02 0.00 0.00 57.03 55.70 2oo5 h ASP 123 Cb 1.19 -0.19 -0.31 0.00 0.22 0.00 0.00 39.33 40.24 2oo5 h ASP 123 CO 0.76 1.01 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.79 2oo5 s VAL 124 N -4.32 1.01 -0.48 -1.35 1.01 -1.13 -0.64 120.40 114.50 2oo5 s VAL 124 Ca -0.13 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.26 2oo5 s VAL 124 Cb 0.08 -0.89 0.11 0.00 0.00 0.00 0.00 36.38 35.67 2oo5 s VAL 124 CO 0.81 0.31 0.39 0.00 0.00 0.00 0.00 175.10 176.61 2oo5 s ALA 125 N 0.23 3.49 -0.94 5.51 0.00 -0.93 -1.37 121.76 127.74 2oo5 s ALA 125 Ca -0.05 -2.40 -0.21 0.00 0.00 0.00 0.00 51.96 49.30 2oo5 s ALA 125 Cb -0.10 -2.98 0.09 0.00 0.00 0.00 0.00 23.12 20.13 2oo5 s ALA 125 CO 0.01 -1.87 1.24 0.12 0.00 0.00 0.00 175.76 175.27 2oo5 s PHE 126 N 1.50 2.83 -0.60 0.00 5.36 -0.60 -1.18 117.98 125.28 2oo5 s PHE 126 Ca 0.04 -1.07 -0.22 0.00 -0.96 0.00 0.00 56.93 54.72 2oo5 s PHE 126 Cb -0.27 -4.45 0.06 0.00 -0.34 0.00 0.00 43.02 38.02 2oo5 s PHE 126 CO 0.02 -1.69 0.90 0.08 -1.46 0.00 0.00 175.22 173.07 2oo5 s VAL 127 N 3.78 4.44 -0.47 3.12 1.01 0.19 -0.57 120.40 131.89 2oo5 s VAL 127 Ca 0.37 -0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.03 2oo5 s VAL 127 Cb -0.04 -4.58 0.10 0.00 0.00 0.00 0.00 36.38 31.86 2oo5 s VAL 127 CO -0.07 -1.25 0.36 -0.51 0.00 0.00 0.00 175.10 173.62 2oo5 s ILE 128 N 3.78 4.62 -1.41 2.22 2.07 -0.14 -0.86 121.20 131.47 2oo5 s ILE 128 Ca 0.23 -1.44 0.00 0.00 -1.41 0.00 0.00 60.65 58.03 2oo5 s ILE 128 Cb -0.16 -3.89 0.00 0.00 0.13 0.00 0.00 42.46 38.54 2oo5 s ILE 128 CO 0.13 -0.66 0.00 0.61 -1.91 0.00 0.00 174.94 173.11 2oo5 n GLY 129 N 5.04 0.15 3.47 1.50 0.00 -0.82 -1.95 105.19 112.58 2oo5 n GLY 129 Ca -0.11 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 2oo5 n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oo5 s ALA 130 N -2.74 2.67 0.00 4.61 0.00 -1.26 -0.38 121.76 124.66 2oo5 s ALA 130 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.38 2oo5 s ALA 130 Cb 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.65 2oo5 s ALA 130 CO 0.00 0.45 0.00 -1.71 0.00 0.00 0.00 175.76 174.50 2oo5 n ASN 131 N 0.22 0.00 0.25 0.00 2.85 -1.26 -4.92 115.26 112.40 2oo5 n ASN 131 Ca -0.12 0.00 0.08 0.00 -0.11 0.00 0.00 54.58 54.43 2oo5 n ASN 131 Cb 0.56 0.14 0.62 0.00 1.24 0.00 0.00 39.78 42.34 2oo5 n ASN 131 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2oo5 h ASP 132 N 0.00 0.00 -0.93 1.20 3.32 -1.96 -0.72 116.42 117.33 2oo5 h ASP 132 Ca 0.00 0.00 0.21 0.00 0.02 0.00 0.00 57.03 57.26 2oo5 h ASP 132 Cb 0.00 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 2oo5 h ASP 132 CO 0.00 0.07 0.61 0.58 -1.72 0.00 0.00 179.24 178.78 2oo5 h VAL 133 N 0.00 0.67 -0.01 -1.35 2.07 -1.96 -3.04 116.25 112.63 2oo5 h VAL 133 Ca -0.00 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2oo5 h VAL 133 Cb 0.13 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 2oo5 h VAL 133 CO 0.01 0.08 -0.60 0.35 0.02 0.00 0.00 177.57 177.43 2oo5 n THR 134 N -4.54 0.00 -2.08 2.57 -2.24 -0.29 -2.52 114.28 105.17 2oo5 n THR 134 Ca 0.20 -0.20 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 2oo5 n THR 134 Cb 0.70 1.14 -0.03 0.00 -2.10 0.00 0.00 70.33 70.05 2oo5 n THR 134 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2oo5 s ASN 135 N -2.44 6.39 0.00 3.42 3.84 -1.12 -4.81 114.94 120.21 2oo5 s ASN 135 Ca 0.13 1.72 0.22 0.00 0.21 0.00 0.00 52.86 55.14 2oo5 s ASN 135 Cb 0.15 -2.53 1.31 0.00 -0.55 0.00 0.00 41.25 39.63 2oo5 s ASN 135 CO 0.61 -1.23 1.70 -0.81 -2.79 0.00 0.00 177.10 174.58 2oo5 n PRO 136 N 7.61 0.67 0.32 0.43 -0.04 -1.26 -2.27 135.00 140.47 2oo5 n PRO 136 Ca 0.19 0.01 0.21 0.00 -0.04 0.00 0.00 63.50 63.86 2oo5 n PRO 136 Cb 0.45 -1.50 1.09 0.00 -0.04 0.00 0.00 33.50 33.50 2oo5 n PRO 136 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2oo5 h ALA 137 N 3.37 1.07 -0.78 0.55 0.00 -1.90 0.15 119.26 121.71 2oo5 h ALA 137 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2oo5 h ALA 137 Cb 0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2oo5 h ALA 137 CO 0.00 0.01 0.45 0.00 0.00 0.00 0.00 179.25 179.71 2oo5 h ALA 138 N 1.99 1.32 0.00 0.00 0.00 -1.65 -3.12 119.26 117.80 2oo5 h ALA 138 Ca -0.00 -0.10 -0.33 0.00 0.00 0.00 0.00 54.91 54.48 2oo5 h ALA 138 Cb 0.09 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 2oo5 h ALA 138 CO 0.00 0.57 -2.22 0.36 0.00 0.00 0.00 179.25 177.96 2oo5 n LYS 139 N -4.37 0.52 0.09 0.00 2.85 -0.95 -0.90 118.16 115.41 2oo5 n LYS 139 Ca 0.08 0.14 0.05 0.00 -1.05 0.00 0.00 58.31 57.52 2oo5 n LYS 139 Cb 0.08 -1.41 -0.02 0.00 -0.65 0.00 0.00 35.03 33.04 2oo5 n LYS 139 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 2oo5 h THR 140 N -0.13 0.38 -3.51 0.58 2.02 -0.89 -3.44 112.91 107.93 2oo5 h THR 140 Ca -0.49 -1.67 -0.67 0.00 0.77 0.00 0.00 66.41 64.35 2oo5 h THR 140 Cb 1.70 1.95 -0.38 0.00 -1.74 0.00 0.00 68.15 69.68 2oo5 h THR 140 CO -0.12 0.22 -0.57 -0.62 0.37 0.00 0.00 175.52 174.80 2oo5 s ASP 141 N -5.82 4.81 0.28 4.18 -1.08 -1.18 -4.98 116.67 112.88 2oo5 s ASP 141 Ca -0.00 -2.61 0.02 0.00 -0.52 0.00 0.00 52.55 49.44 2oo5 s ASP 141 Cb 0.08 -1.72 0.65 0.00 -1.46 0.00 0.00 42.92 40.47 2oo5 s ASP 141 CO 0.78 -0.35 1.71 -0.65 0.52 0.00 0.00 175.17 177.18 2oo5 h PRO 142 N 7.15 0.43 0.00 4.34 0.11 -1.86 -2.20 132.00 139.98 2oo5 h PRO 142 Ca -0.06 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2oo5 h PRO 142 Cb 0.96 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2oo5 h PRO 142 CO 0.66 0.28 0.00 -1.13 -0.21 0.00 0.00 178.00 177.60 2oo5 n SER 143 N -5.01 0.00 -4.77 -2.05 3.41 -1.26 -4.83 113.62 99.11 2oo5 n SER 143 Ca 0.20 0.13 -0.37 0.00 -0.26 0.00 0.00 58.87 58.57 2oo5 n SER 143 Cb 0.58 -0.34 -0.01 0.00 -0.26 0.00 0.00 64.21 64.18 2oo5 n SER 143 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2oo5 s SER 144 N -2.68 6.20 0.43 4.04 0.15 -0.83 -4.97 113.70 116.04 2oo5 s SER 144 Ca 0.16 2.29 0.21 0.00 0.70 0.00 0.00 55.95 59.31 2oo5 s SER 144 Cb 0.13 -2.60 0.97 0.00 -1.71 0.00 0.00 66.02 62.81 2oo5 s SER 144 CO 0.31 -0.90 1.87 1.55 1.20 0.00 0.00 173.24 177.27 2oo5 h PRO 145 N 2.06 0.00 -0.59 5.44 0.13 -1.89 -3.15 132.00 134.01 2oo5 h PRO 145 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2oo5 h PRO 145 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2oo5 h PRO 145 CO 0.60 0.27 0.00 1.51 -0.23 0.00 0.00 178.00 180.15 2oo5 n ILE 146 N -3.63 1.05 -2.05 -3.56 3.06 -1.26 -4.97 119.36 108.00 2oo5 n ILE 146 Ca -0.01 -0.68 -0.42 0.00 -2.50 0.00 0.00 62.75 59.14 2oo5 n ILE 146 Cb 0.39 -0.04 -0.03 0.00 0.54 0.00 0.00 39.64 40.51 2oo5 n ILE 146 CO 0.00 0.00 0.00 -0.47 -2.50 0.00 0.00 176.55 173.58 2oo5 s TYR 147 N -1.71 2.68 0.00 9.51 5.04 -1.19 -2.79 117.35 128.88 2oo5 s TYR 147 Ca 0.30 0.56 0.00 0.00 -2.44 0.00 0.00 57.07 55.49 2oo5 s TYR 147 Cb 0.19 -3.84 0.00 0.00 0.35 0.00 0.00 41.96 38.66 2oo5 s TYR 147 CO 0.14 -3.23 0.00 0.41 -1.34 0.00 0.00 175.55 171.53 2oo5 n GLY 148 N 3.82 3.00 3.70 8.97 0.00 -0.07 -5.04 105.19 119.56 2oo5 n GLY 148 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2oo5 n GLY 148 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2oo5 s MET 149 N -0.64 4.36 0.41 1.61 -2.45 -1.12 -5.01 119.30 116.46 2oo5 s MET 149 Ca 0.00 1.78 -0.27 0.00 -1.25 0.00 0.00 55.69 55.95 2oo5 s MET 149 Cb 0.00 -3.49 -0.10 0.00 1.25 0.00 0.00 34.83 32.50 2oo5 s MET 149 CO 0.00 -0.42 1.45 -2.14 1.05 0.00 0.00 175.02 174.97 2oo5 s PRO 150 N 1.86 3.94 0.32 4.11 0.02 -1.26 -4.71 135.00 139.27 2oo5 s PRO 150 Ca 0.59 2.49 0.05 0.00 0.02 0.00 0.00 61.00 64.15 2oo5 s PRO 150 Cb -0.28 -2.84 -0.06 0.00 0.02 0.00 0.00 34.50 31.34 2oo5 s PRO 150 CO 0.25 -0.64 0.00 0.96 -0.33 0.00 0.00 177.00 177.25 2oo5 s ILE 151 N -1.16 1.49 -0.13 2.83 -4.36 -1.26 -5.01 121.20 113.59 2oo5 s ILE 151 Ca 0.56 -2.05 -0.28 0.00 -0.26 0.00 0.00 60.65 58.62 2oo5 s ILE 151 Cb -0.45 -2.68 -0.01 0.00 1.25 0.00 0.00 42.46 40.57 2oo5 s ILE 151 CO 0.60 -0.13 0.94 -0.76 0.24 0.00 0.00 174.94 175.83 2oo5 s LEU 152 N -3.50 4.22 -1.51 0.37 1.43 -1.05 -4.97 118.68 113.67 2oo5 s LEU 152 Ca 0.33 1.38 -0.11 0.00 -1.03 0.00 0.00 54.13 54.70 2oo5 s LEU 152 Cb 0.07 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 42.87 2oo5 s LEU 152 CO 0.14 -0.43 2.52 0.47 0.23 0.00 0.00 176.35 179.28 2oo5 n ASP 153 N 5.12 6.31 0.13 2.29 8.00 -1.26 -4.63 116.55 132.51 2oo5 n ASP 153 Ca 0.07 -2.77 0.00 0.00 0.71 0.00 0.00 54.79 52.80 2oo5 n ASP 153 Cb 0.49 -1.58 0.30 0.00 -0.02 0.00 0.00 41.12 40.31 2oo5 n ASP 153 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 2oo5 h VAL 154 N 3.46 1.27 -0.55 2.53 -1.51 -1.93 -3.04 116.25 116.48 2oo5 h VAL 154 Ca 0.69 -1.29 0.13 0.00 -1.23 0.00 0.00 66.70 65.00 2oo5 h VAL 154 Cb 0.46 1.59 -0.03 0.00 -2.13 0.00 0.00 31.29 31.18 2oo5 h VAL 154 CO 1.80 0.38 0.38 1.05 -1.23 0.00 0.00 177.57 179.95 2oo5 h GLU 155 N 0.14 0.19 0.00 5.19 4.11 -1.92 -1.12 114.58 121.17 2oo5 h GLU 155 Ca 0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.44 2oo5 h GLU 155 Cb 0.67 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2oo5 h GLU 155 CO 0.05 0.13 0.00 1.63 0.07 0.00 0.00 179.01 180.89 2oo5 n LYS 156 N -4.43 0.16 -1.42 1.06 5.02 -1.15 -4.77 118.16 112.63 2oo5 n LYS 156 Ca 0.10 0.44 -0.30 0.00 -2.02 0.00 0.00 58.31 56.53 2oo5 n LYS 156 Cb 0.49 -1.83 0.12 0.00 -0.02 0.00 0.00 35.03 33.78 2oo5 n LYS 156 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2oo5 s ALA 157 N -3.31 1.87 0.04 7.82 0.00 -0.42 -4.25 121.76 123.51 2oo5 s ALA 157 Ca 0.03 -0.22 -0.27 0.00 0.00 0.00 0.00 51.96 51.50 2oo5 s ALA 157 Cb 0.09 -3.12 -0.17 0.00 0.00 0.00 0.00 23.12 19.91 2oo5 s ALA 157 CO 0.34 -2.08 1.40 0.78 0.00 0.00 0.00 175.76 176.20 2oo5 h GLY 158 N -1.35 -0.56 -6.30 0.00 0.00 -0.80 -3.43 103.07 90.62 2oo5 h GLY 158 Ca -0.49 0.21 -0.44 0.00 0.00 0.00 0.00 47.33 46.61 2oo5 h GLY 158 CO 0.58 -0.21 -0.78 -0.51 0.00 0.00 0.00 176.54 175.62 2oo5 s THR 159 N -5.24 0.66 -0.31 4.70 -4.23 0.19 -4.85 115.64 106.56 2oo5 s THR 159 Ca -0.15 -0.16 -0.15 0.00 -1.18 0.00 0.00 61.69 60.05 2oo5 s THR 159 Cb 0.03 -0.68 -0.03 0.00 1.34 0.00 0.00 72.50 73.16 2oo5 s THR 159 CO 0.57 0.26 0.36 -0.69 -0.54 0.00 0.00 174.62 174.59 2oo5 s VAL 160 N 1.08 5.17 -0.36 2.29 1.01 0.10 -2.20 120.40 127.49 2oo5 s VAL 160 Ca -0.08 0.30 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 2oo5 s VAL 160 Cb -0.14 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.49 2oo5 s VAL 160 CO -0.01 0.03 0.23 -0.76 0.00 0.00 0.00 175.10 174.60 2oo5 s LEU 161 N 2.05 4.67 -0.33 3.92 1.02 -0.33 -1.20 118.68 128.48 2oo5 s LEU 161 Ca 0.13 -0.75 -0.12 0.00 0.02 0.00 0.00 54.13 53.42 2oo5 s LEU 161 Cb -0.16 -2.08 -0.02 0.00 0.02 0.00 0.00 46.19 43.95 2oo5 s LEU 161 CO 0.11 -0.33 0.21 -0.36 0.02 0.00 0.00 176.35 176.00 2oo5 s PHE 162 N 1.64 3.21 -0.27 0.29 0.08 -0.86 0.52 117.98 122.60 2oo5 s PHE 162 Ca 0.04 -0.30 -0.14 0.00 0.12 0.00 0.00 56.93 56.65 2oo5 s PHE 162 Cb -0.18 -2.44 -0.04 0.00 -0.57 0.00 0.00 43.02 39.79 2oo5 s PHE 162 CO 0.08 -0.38 0.34 0.42 -0.10 0.00 0.00 175.22 175.58 2oo5 s ILE 163 N 1.69 5.20 -0.06 0.64 1.01 -0.04 -0.57 121.20 129.08 2oo5 s ILE 163 Ca 0.06 0.50 -0.29 0.00 0.00 0.00 0.00 60.65 60.91 2oo5 s ILE 163 Cb -0.17 -3.66 0.10 0.00 0.01 0.00 0.00 42.46 38.74 2oo5 s ILE 163 CO 0.09 0.18 0.87 -1.59 0.00 0.00 0.00 174.94 174.49 2oo5 s LYS 164 N 1.95 0.82 0.31 2.79 -2.85 -1.19 -1.94 119.74 119.63 2oo5 s LYS 164 Ca 0.14 -0.05 0.11 0.00 -1.00 0.00 0.00 55.97 55.17 2oo5 s LYS 164 Cb -0.16 0.38 0.49 0.00 -2.06 0.00 0.00 37.83 36.48 2oo5 s LYS 164 CO 0.10 -0.30 1.69 0.00 0.10 0.00 0.00 175.35 176.93 2oo5 h ARG 165 N 2.39 0.00 0.00 1.78 3.08 -1.85 -2.36 114.38 117.42 2oo5 h ARG 165 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.82 2oo5 h ARG 165 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 2oo5 h ARG 165 CO 0.33 0.53 0.00 -1.13 -1.07 0.00 0.00 179.97 178.63 2oo5 n SER 166 N -3.90 0.00 -1.23 7.04 3.41 -1.26 -4.26 113.62 113.42 2oo5 n SER 166 Ca -0.01 -0.75 0.05 0.00 -0.26 0.00 0.00 58.87 57.90 2oo5 n SER 166 Cb 0.54 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.74 2oo5 n SER 166 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2oo5 n MET 167 N 0.00 3.07 -2.26 4.33 2.81 -1.26 -4.98 117.12 118.83 2oo5 n MET 167 Ca 0.00 -1.92 -0.36 0.00 -1.81 0.00 0.00 57.70 53.61 2oo5 n MET 167 Cb 0.00 -1.80 -0.00 0.00 -0.71 0.00 0.00 33.22 30.71 2oo5 n MET 167 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2oo5 s ALA 168 N -1.89 2.79 0.81 3.04 0.00 -1.26 -5.03 121.76 120.23 2oo5 s ALA 168 Ca 0.34 0.87 -0.12 0.00 0.00 0.00 0.00 51.96 53.05 2oo5 s ALA 168 Cb 0.23 -3.37 0.08 0.00 0.00 0.00 0.00 23.12 20.07 2oo5 s ALA 168 CO 0.14 -0.74 1.14 -1.54 0.00 0.00 0.00 175.76 174.76 2oo5 s SER 169 N -1.63 4.41 0.09 0.00 1.04 -1.26 -5.07 113.70 111.28 2oo5 s SER 169 Ca 0.70 0.99 0.00 0.00 0.48 0.00 0.00 55.95 58.12 2oo5 s SER 169 Cb -0.26 -1.61 0.00 0.00 0.10 0.00 0.00 66.02 64.25 2oo5 s SER 169 CO 0.30 -1.98 0.00 0.61 0.98 0.00 0.00 173.24 173.14 2oo5 n GLY 170 N -2.73 -0.26 0.33 7.32 0.00 -1.26 -4.88 105.19 103.69 2oo5 n GLY 170 Ca 0.07 -1.72 0.03 0.00 0.00 0.00 0.00 46.02 44.40 2oo5 n GLY 170 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2oo5 h TYR 171 N -0.09 0.97 0.00 1.61 3.20 -1.98 -2.41 116.97 118.27 2oo5 h TYR 171 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2oo5 h TYR 171 Cb 0.00 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 37.96 2oo5 h TYR 171 CO 0.00 0.44 0.00 0.00 -1.64 0.00 0.00 178.16 176.96 2oo5 h ALA 172 N 1.45 1.00 -2.14 1.82 0.00 -2.00 -3.47 119.26 115.92 2oo5 h ALA 172 Ca 0.41 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.21 2oo5 h ALA 172 Cb 0.29 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.12 2oo5 h ALA 172 CO -0.22 0.00 -0.17 0.41 0.00 0.00 0.00 179.25 179.27 2oo5 n GLY 173 N -0.27 0.53 3.13 0.00 0.00 -0.91 -5.00 105.19 102.67 2oo5 n GLY 173 Ca 0.00 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 2oo5 n GLY 173 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2oo5 s VAL 174 N -3.02 0.76 0.62 1.61 -7.23 -1.26 -5.02 120.40 106.85 2oo5 s VAL 174 Ca 0.14 -1.42 -0.15 0.00 -1.81 0.00 0.00 61.98 58.74 2oo5 s VAL 174 Cb -0.06 -1.08 -0.02 0.00 0.56 0.00 0.00 36.38 35.78 2oo5 s VAL 174 CO 0.17 -0.50 1.07 -1.61 -0.31 0.00 0.00 175.10 173.92 2oo5 s GLU 175 N -2.35 3.16 -0.24 4.82 0.41 -1.26 -4.50 118.70 118.74 2oo5 s GLU 175 Ca -0.01 1.22 -0.01 0.00 -0.41 0.00 0.00 54.97 55.76 2oo5 s GLU 175 Cb -0.05 -2.01 0.03 0.00 -1.78 0.00 0.00 34.13 30.31 2oo5 s GLU 175 CO -0.00 -0.94 -0.07 1.21 -0.49 0.00 0.00 175.26 174.97 2oo5 s ASN 176 N -2.85 4.23 0.57 -0.19 3.84 -1.26 -4.91 114.94 114.38 2oo5 s ASN 176 Ca 0.64 -0.86 0.36 0.00 0.21 0.00 0.00 52.86 53.21 2oo5 s ASN 176 Cb -0.17 -1.65 1.56 0.00 -0.55 0.00 0.00 41.25 40.44 2oo5 s ASN 176 CO 0.40 -0.12 2.06 -0.08 -2.79 0.00 0.00 177.10 176.57 2oo5 h GLU 177 N 8.00 0.00 0.00 0.43 4.81 -1.97 -2.85 114.58 123.00 2oo5 h GLU 177 Ca -0.33 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.89 2oo5 h GLU 177 Cb 1.11 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 2oo5 h GLU 177 CO 0.58 0.00 -0.05 -0.07 -0.73 0.00 0.00 179.01 178.74 2oo5 h LEU 178 N 0.00 0.00 -1.23 1.64 3.38 -1.95 -1.73 115.31 115.42 2oo5 h LEU 178 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2oo5 h LEU 178 Cb 0.42 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 2oo5 h LEU 178 CO 0.00 0.05 0.31 -0.26 0.09 0.00 0.00 178.44 178.62 2oo5 h PHE 179 N 0.00 0.82 -2.30 1.13 0.04 -1.93 -3.32 116.94 111.39 2oo5 h PHE 179 Ca -0.00 -0.02 -0.81 0.00 2.80 0.00 0.00 57.97 59.95 2oo5 h PHE 179 Cb 0.13 -0.26 -0.27 0.00 2.20 0.00 0.00 35.95 37.75 2oo5 h PHE 179 CO 0.00 0.59 0.99 1.19 -0.60 0.00 0.00 178.31 180.48 2oo5 n PHE 180 N -4.37 2.75 -3.62 -0.55 3.72 -0.65 -4.53 117.46 110.21 2oo5 n PHE 180 Ca 0.05 -2.59 -0.12 0.00 -0.05 0.00 0.00 57.45 54.75 2oo5 n PHE 180 Cb 0.11 -1.19 -0.05 0.00 -0.94 0.00 0.00 39.48 37.41 2oo5 n PHE 180 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2oo5 s ARG 181 N -4.21 1.02 0.23 -1.08 1.70 -1.25 -5.06 118.95 110.30 2oo5 s ARG 181 Ca 0.39 -0.47 0.24 0.00 -0.47 0.00 0.00 55.73 55.42 2oo5 s ARG 181 Cb 0.18 0.46 0.92 0.00 -0.57 0.00 0.00 34.95 35.93 2oo5 s ARG 181 CO -0.11 -0.38 1.74 0.09 -1.08 0.00 0.00 175.30 175.55 2oo5 n ASN 182 N 0.15 0.69 -0.54 -2.89 3.02 -1.26 -1.43 115.26 113.01 2oo5 n ASN 182 Ca -0.17 0.62 0.06 0.00 -0.03 0.00 0.00 54.58 55.06 2oo5 n ASN 182 Cb 0.62 -0.79 0.18 0.00 -0.61 0.00 0.00 39.78 39.18 2oo5 n ASN 182 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2oo5 n ASN 183 N -2.21 1.56 -4.28 6.41 6.94 -1.26 -4.92 115.26 117.50 2oo5 n ASN 183 Ca 0.04 -1.94 -0.29 0.00 -0.02 0.00 0.00 54.58 52.37 2oo5 n ASN 183 Cb 0.31 -0.18 -0.15 0.00 -2.36 0.00 0.00 39.78 37.39 2oo5 n ASN 183 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2oo5 s THR 184 N -1.64 1.88 -0.12 5.53 2.01 -0.51 -0.72 115.64 122.07 2oo5 s THR 184 Ca 0.22 -1.08 0.02 0.00 0.31 0.00 0.00 61.69 61.15 2oo5 s THR 184 Cb 0.11 -1.57 0.02 0.00 0.01 0.00 0.00 72.50 71.07 2oo5 s THR 184 CO 0.16 0.47 -0.17 -0.32 -0.69 0.00 0.00 174.62 174.07 2oo5 s MET 185 N -0.72 2.41 0.09 4.92 1.75 -0.34 -4.63 119.30 122.78 2oo5 s MET 185 Ca 0.09 -0.63 -0.27 0.00 -1.25 0.00 0.00 55.69 53.63 2oo5 s MET 185 Cb -0.09 -2.05 -0.06 0.00 2.84 0.00 0.00 34.83 35.47 2oo5 s MET 185 CO -0.00 -0.09 0.86 -1.64 -0.65 0.00 0.00 175.02 173.50 2oo5 s MET 186 N 1.05 4.60 -0.62 4.11 -1.94 -0.83 -2.02 119.30 123.64 2oo5 s MET 186 Ca -0.04 1.25 0.04 0.00 -1.71 0.00 0.00 55.69 55.23 2oo5 s MET 186 Cb -0.15 -3.36 0.15 0.00 2.01 0.00 0.00 34.83 33.49 2oo5 s MET 186 CO -0.04 0.28 0.39 -0.51 -0.01 0.00 0.00 175.02 175.14 2oo5 s LEU 187 N -0.15 4.52 -0.27 -0.03 1.43 0.27 -0.42 118.68 124.03 2oo5 s LEU 187 Ca 0.42 -3.48 -0.29 0.00 -1.03 0.00 0.00 54.13 49.75 2oo5 s LEU 187 Cb -0.22 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 2oo5 s LEU 187 CO 0.26 -0.15 1.47 -0.36 0.23 0.00 0.00 176.35 177.81 2oo5 s PHE 188 N -0.92 2.37 0.00 0.29 0.08 -1.26 -3.16 117.98 115.38 2oo5 s PHE 188 Ca 0.22 0.70 0.00 0.00 0.12 0.00 0.00 56.93 57.96 2oo5 s PHE 188 Cb -0.14 -3.98 0.00 0.00 -0.57 0.00 0.00 43.02 38.33 2oo5 s PHE 188 CO -0.09 -2.33 0.00 0.41 -0.10 0.00 0.00 175.22 173.10 2oo5 n GLY 189 N 4.57 -0.31 3.77 4.36 0.00 -0.89 -4.95 105.19 111.75 2oo5 n GLY 189 Ca 0.17 -1.17 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 2oo5 n GLY 189 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2oo5 s ASP 190 N 0.00 6.51 0.27 1.61 2.15 -1.26 -3.19 116.67 122.76 2oo5 s ASP 190 Ca 0.00 2.69 0.11 0.00 0.43 0.00 0.00 52.55 55.78 2oo5 s ASP 190 Cb 0.00 -2.64 0.35 0.00 -0.30 0.00 0.00 42.92 40.32 2oo5 s ASP 190 CO 0.00 -0.72 1.61 0.00 -0.17 0.00 0.00 175.17 175.89 2oo5 h ALA 191 N 2.99 0.96 0.01 3.66 0.00 -1.93 0.20 119.26 125.15 2oo5 h ALA 191 Ca -0.49 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 53.85 2oo5 h ALA 191 Cb 1.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2oo5 h ALA 191 CO 0.64 0.78 -0.00 -0.22 0.00 0.00 0.00 179.25 180.44 2oo5 h LYS 192 N 0.00 -0.01 -0.22 0.00 3.64 -1.90 -2.84 116.57 115.24 2oo5 h LYS 192 Ca -0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2oo5 h LYS 192 Cb 1.11 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 2oo5 h LYS 192 CO 0.08 0.64 0.09 -0.22 -2.27 0.00 0.00 179.45 177.78 2oo5 h LYS 193 N -0.68 0.32 -0.77 1.90 3.64 -1.90 -1.64 116.57 117.45 2oo5 h LYS 193 Ca -0.00 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 2oo5 h LYS 193 Cb 0.66 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 2oo5 h LYS 193 CO 0.00 0.37 0.31 1.98 -2.27 0.00 0.00 179.45 179.84 2oo5 h MET 194 N 0.21 1.15 -0.39 1.90 4.05 -0.73 0.96 114.93 122.08 2oo5 h MET 194 Ca 0.07 -0.21 -0.09 0.00 -0.28 0.00 0.00 59.70 59.20 2oo5 h MET 194 Cb 0.16 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 30.76 2oo5 h MET 194 CO -0.01 0.94 -0.09 1.15 0.23 0.00 0.00 176.91 179.13 2oo5 h THR 195 N 1.12 1.28 -0.73 -0.77 2.02 -1.45 -0.94 112.91 113.43 2oo5 h THR 195 Ca 0.26 -1.17 0.02 0.00 0.77 0.00 0.00 66.41 66.28 2oo5 h THR 195 Cb 0.21 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 2oo5 h THR 195 CO -0.02 0.39 0.48 -0.33 0.37 0.00 0.00 175.52 176.41 2oo5 h GLU 196 N 0.55 0.93 -0.64 6.66 5.08 -1.07 -1.21 114.58 124.89 2oo5 h GLU 196 Ca 0.10 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2oo5 h GLU 196 Cb 0.61 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2oo5 h GLU 196 CO 0.04 0.62 0.31 1.96 -1.00 0.00 0.00 179.01 180.93 2oo5 h GLN 197 N 0.96 0.90 -0.41 2.33 4.20 -0.64 -1.81 115.11 120.64 2oo5 h GLN 197 Ca 0.28 -0.11 -0.10 0.00 0.06 0.00 0.00 58.65 58.78 2oo5 h GLN 197 Cb -0.07 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.53 2oo5 h GLN 197 CO -0.08 0.69 -0.12 0.82 -0.67 0.00 0.00 178.83 179.48 2oo5 h ILE 198 N 0.90 1.28 -0.63 2.54 2.04 -0.81 -1.57 117.51 121.25 2oo5 h ILE 198 Ca 0.22 -1.23 -0.05 0.00 1.00 0.00 0.00 64.86 64.81 2oo5 h ILE 198 Cb 0.09 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 2oo5 h ILE 198 CO -0.03 0.41 0.20 0.58 0.00 0.00 0.00 178.15 179.32 2oo5 h VAL 199 N 0.63 1.24 -0.17 1.67 2.07 -1.01 -0.69 116.25 119.99 2oo5 h VAL 199 Ca 0.10 -0.80 -0.13 0.00 0.82 0.00 0.00 66.70 66.68 2oo5 h VAL 199 Cb 0.65 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2oo5 h VAL 199 CO 0.04 0.31 -0.47 1.56 0.02 0.00 0.00 177.57 179.03 2oo5 h GLN 200 N 0.93 0.43 -0.07 1.57 4.20 -1.30 -3.08 115.11 117.78 2oo5 h GLN 200 Ca 0.21 -0.24 -0.09 0.00 0.06 0.00 0.00 58.65 58.59 2oo5 h GLN 200 Cb 0.26 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 2oo5 h GLN 200 CO -0.01 0.81 -0.38 0.00 -0.67 0.00 0.00 178.83 178.58 2oo5 h ALA 201 N 1.15 1.24 -2.42 3.87 0.00 -0.93 -3.43 119.26 118.74 2oo5 h ALA 201 Ca 0.02 -0.37 -0.46 0.00 0.00 0.00 0.00 54.91 54.09 2oo5 h ALA 201 Cb 0.96 -0.08 0.11 0.00 0.00 0.00 0.00 17.79 18.78 2oo5 h ALA 201 CO 0.08 0.53 0.38 -1.64 0.00 0.00 0.00 179.25 178.61 2oo5 s MET 202 N -4.19 1.70 0.00 0.00 -1.94 -0.30 -4.97 119.30 109.59 2oo5 s MET 202 Ca -0.04 -0.08 0.00 0.00 -1.71 0.00 0.00 55.69 53.86 2oo5 s MET 202 Cb 0.14 -1.96 0.00 0.00 2.01 0.00 0.00 34.83 35.01 2oo5 s MET 202 CO 0.75 -1.73 0.08 0.09 -0.01 0.00 0.00 175.02 174.21