#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s2i s LYS 2 N 0.00 4.26 0.39 0.03 0.00 -1.26 -4.98 119.74 118.18 1s2i s LYS 2 Ca 0.00 2.28 -0.24 0.00 0.00 0.00 0.00 55.97 58.02 1s2i s LYS 2 Cb 0.00 -3.16 -0.09 0.00 0.00 0.00 0.00 37.83 34.58 1s2i s LYS 2 CO 0.00 -0.51 1.01 0.00 0.00 0.00 0.00 175.35 175.86 1s2i s ALA 3 N 0.73 3.09 0.08 0.59 0.00 -1.26 -4.97 121.76 120.02 1s2i s ALA 3 Ca 0.65 0.61 0.04 0.00 0.00 0.00 0.00 51.96 53.26 1s2i s ALA 3 Cb -0.42 -3.23 -0.24 0.00 0.00 0.00 0.00 23.12 19.23 1s2i s ALA 3 CO 0.35 -0.09 1.14 0.28 0.00 0.00 0.00 175.76 177.45 1s2i h VAL 4 N 2.20 1.52 -3.60 0.00 2.07 -2.03 -3.46 116.25 112.95 1s2i h VAL 4 Ca -0.48 -3.21 -0.14 0.00 0.82 0.00 0.00 66.70 63.69 1s2i h VAL 4 Cb 1.21 2.82 -0.20 0.00 -1.52 0.00 0.00 31.29 33.59 1s2i h VAL 4 CO 0.62 0.89 -0.51 0.68 0.02 0.00 0.00 177.57 179.28 1s2i s VAL 5 N -2.68 0.09 0.22 2.57 -7.23 -1.26 -5.12 120.40 107.00 1s2i s VAL 5 Ca -0.02 -0.78 -0.30 0.00 -1.81 0.00 0.00 61.98 59.07 1s2i s VAL 5 Cb 0.09 -0.51 -0.15 0.00 0.56 0.00 0.00 36.38 36.37 1s2i s VAL 5 CO 0.84 -0.43 1.01 -2.65 -0.31 0.00 0.00 175.10 173.56 1s2i n PRO 6 N 1.32 1.09 -0.01 4.82 -0.02 -1.26 -4.91 135.00 136.03 1s2i n PRO 6 Ca -0.22 0.38 -0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1s2i n PRO 6 Cb 0.56 -1.76 -0.02 0.00 -0.02 0.00 0.00 33.50 32.26 1s2i n PRO 6 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1s2i n THR 7 N 0.75 0.07 -1.84 3.45 -1.04 -0.93 -4.52 114.28 110.22 1s2i n THR 7 Ca 0.13 -0.07 -0.42 0.00 -2.04 0.00 0.00 64.05 61.65 1s2i n THR 7 Cb 0.28 -0.32 -0.03 0.00 -1.82 0.00 0.00 70.33 68.44 1s2i n THR 7 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1s2i s GLY 8 N -2.78 1.47 -0.34 3.41 0.00 -0.13 -4.64 107.32 104.31 1s2i s GLY 8 Ca -0.01 1.29 0.03 0.00 0.00 0.00 0.00 44.72 46.04 1s2i s GLY 8 CO 0.08 3.02 0.06 0.54 0.00 0.00 0.00 173.10 176.79 1s2i s LYS 9 N 2.81 1.40 -0.08 2.90 1.02 -1.26 0.15 119.74 126.67 1s2i s LYS 9 Ca 0.77 -1.79 -0.21 0.00 0.02 0.00 0.00 55.97 54.76 1s2i s LYS 9 Cb -0.42 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 33.78 1s2i s LYS 9 CO 0.34 -0.95 0.61 0.42 -0.92 0.00 0.00 175.35 174.85 1s2i s ILE 10 N 0.98 5.09 -0.41 2.17 -1.09 -0.10 0.47 121.20 128.30 1s2i s ILE 10 Ca 0.11 1.25 -0.15 0.00 -2.23 0.00 0.00 60.65 59.63 1s2i s ILE 10 Cb -0.19 -3.95 0.03 0.00 -1.58 0.00 0.00 42.46 36.77 1s2i s ILE 10 CO -0.10 0.29 0.30 -0.47 -1.23 0.00 0.00 174.94 173.74 1s2i s TYR 11 N 0.65 3.24 -0.57 3.97 5.04 -0.32 -1.14 117.35 128.22 1s2i s TYR 11 Ca 0.33 -0.65 -0.20 0.00 -2.44 0.00 0.00 57.07 54.10 1s2i s TYR 11 Cb -0.17 -2.65 0.08 0.00 0.35 0.00 0.00 41.96 39.58 1s2i s TYR 11 CO 0.15 -0.62 0.74 -1.17 -1.34 0.00 0.00 175.55 173.31 1s2i s LEU 12 N 1.67 5.00 -0.10 6.97 2.96 -0.41 -0.75 118.68 134.01 1s2i s LEU 12 Ca 0.05 -1.12 -0.10 0.00 -0.22 0.00 0.00 54.13 52.75 1s2i s LEU 12 Cb -0.20 -2.40 -0.05 0.00 0.50 0.00 0.00 46.19 44.04 1s2i s LEU 12 CO 0.09 -1.10 0.21 -0.83 -1.32 0.00 0.00 176.35 173.40 1s2i s GLY 13 N 3.27 2.22 -0.19 7.98 0.00 -0.07 -4.22 107.32 116.32 1s2i s GLY 13 Ca 0.16 -0.54 -0.30 0.00 0.00 0.00 0.00 44.72 44.04 1s2i s GLY 13 CO 0.10 -0.15 1.08 -0.45 0.00 0.00 0.00 173.10 173.67 1s2i s SER 14 N -0.80 -0.29 0.66 1.64 0.15 -1.26 -1.12 113.70 112.68 1s2i s SER 14 Ca 0.16 0.30 -0.12 0.00 0.70 0.00 0.00 55.95 57.00 1s2i s SER 14 Cb -0.13 0.24 -0.01 0.00 -1.71 0.00 0.00 66.02 64.41 1s2i s SER 14 CO 0.06 -0.28 1.05 -2.84 1.20 0.00 0.00 173.24 172.43 1s2i s PRO 15 N -1.16 3.11 0.00 5.44 0.02 -1.26 -4.99 135.00 136.16 1s2i s PRO 15 Ca 0.01 1.01 0.00 0.00 0.02 0.00 0.00 61.00 62.04 1s2i s PRO 15 Cb -0.01 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.50 1s2i s PRO 15 CO -0.01 -0.96 0.00 0.34 -0.33 0.00 0.00 177.00 176.04 1s2i n PHE 16 N -2.76 0.00 0.00 6.54 7.35 -1.26 -4.63 117.46 122.70 1s2i n PHE 16 Ca 0.08 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.77 1s2i n PHE 16 Cb 0.53 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.36 1s2i n PHE 16 CO 0.00 0.00 0.00 2.48 -0.76 0.00 0.00 176.76 178.48 1s2i n TYR 17 N 0.00 0.00 -2.44 -5.13 0.18 -1.26 -4.61 117.16 103.89 1s2i n TYR 17 Ca 0.00 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.35 1s2i n TYR 17 Cb 0.00 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 38.94 1s2i n TYR 17 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1s2i s SER 18 N 0.00 6.97 0.28 9.48 0.15 -1.26 -4.92 113.70 124.39 1s2i s SER 18 Ca 0.00 1.68 0.00 0.00 0.70 0.00 0.00 55.95 58.33 1s2i s SER 18 Cb 0.00 -2.54 0.65 0.00 -1.71 0.00 0.00 66.02 62.42 1s2i s SER 18 CO 0.00 -0.74 1.42 -0.90 1.20 0.00 0.00 173.24 174.22 1s2i n ASP 19 N 6.47 -0.14 -0.04 5.45 5.75 -1.26 0.37 116.55 133.16 1s2i n ASP 19 Ca 0.13 1.54 -0.11 0.00 -0.01 0.00 0.00 54.79 56.34 1s2i n ASP 19 Cb 0.45 -0.55 -0.05 0.00 -1.03 0.00 0.00 41.12 39.94 1s2i n ASP 19 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1s2i h ALA 20 N 1.81 0.20 -0.98 2.12 0.00 -1.94 -2.34 119.26 118.12 1s2i h ALA 20 Ca 0.53 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.43 1s2i h ALA 20 Cb 1.06 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 1s2i h ALA 20 CO -0.86 -0.23 0.62 1.96 0.00 0.00 0.00 179.25 180.74 1s2i h GLN 21 N 0.11 1.08 -0.66 0.00 4.20 -0.38 -0.79 115.11 118.66 1s2i h GLN 21 Ca 0.05 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1s2i h GLN 21 Cb 0.14 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 1s2i h GLN 21 CO -0.01 0.72 0.27 0.00 -0.67 0.00 0.00 178.83 179.14 1s2i h ARG 22 N 1.11 0.98 -0.45 1.46 3.08 -0.86 -2.10 114.38 117.61 1s2i h ARG 22 Ca 0.43 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 60.33 1s2i h ARG 22 Cb 0.21 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1s2i h ARG 22 CO -0.19 0.82 0.26 1.49 -1.07 0.00 0.00 179.97 181.28 1s2i h GLU 23 N 0.93 0.51 -0.01 0.04 4.81 -0.68 -1.29 114.58 118.90 1s2i h GLU 23 Ca 0.22 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.45 1s2i h GLU 23 Cb 0.19 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 1s2i h GLU 23 CO -0.02 0.34 -0.19 0.00 -0.73 0.00 0.00 179.01 178.41 1s2i h ARG 24 N 0.53 -0.29 -0.54 1.92 3.08 -0.80 -1.11 114.38 117.17 1s2i h ARG 24 Ca 0.18 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.33 1s2i h ARG 24 Cb 0.01 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.06 1s2i h ARG 24 CO -0.08 -0.19 0.17 0.00 -1.07 0.00 0.00 179.97 178.80 1s2i h ALA 25 N 0.61 0.65 -0.85 0.04 0.00 -1.11 0.11 119.26 118.73 1s2i h ALA 25 Ca 0.06 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1s2i h ALA 25 Cb 0.38 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1s2i h ALA 25 CO -0.18 -0.24 0.53 0.00 0.00 0.00 0.00 179.25 179.37 1s2i h ALA 26 N 1.38 1.08 -0.07 0.00 0.00 -0.73 -1.43 119.26 119.49 1s2i h ALA 26 Ca 0.27 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.93 1s2i h ALA 26 Cb 0.32 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1s2i h ALA 26 CO -0.29 0.51 -0.69 -0.22 0.00 0.00 0.00 179.25 178.57 1s2i h LYS 27 N 1.16 0.31 -0.28 0.00 3.64 -0.57 -2.75 116.57 118.07 1s2i h LYS 27 Ca 0.31 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1s2i h LYS 27 Cb -0.08 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1s2i h LYS 27 CO -0.06 0.88 0.15 0.00 -2.27 0.00 0.00 179.45 178.14 1s2i h ALA 28 N 1.06 0.35 0.07 5.00 0.00 -0.29 -0.58 119.26 124.87 1s2i h ALA 28 Ca -0.02 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1s2i h ALA 28 Cb 1.24 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1s2i h ALA 28 CO 0.11 -0.11 -0.30 0.87 0.00 0.00 0.00 179.25 179.82 1s2i h LYS 29 N 0.33 -0.47 -0.28 0.00 1.57 -1.21 0.19 116.57 116.70 1s2i h LYS 29 Ca 0.10 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.97 1s2i h LYS 29 Cb 0.08 0.11 -0.08 0.00 0.08 0.00 0.00 32.23 32.41 1s2i h LYS 29 CO -0.01 -0.32 -0.39 0.93 -0.57 0.00 0.00 179.45 179.09 1s2i h GLU 30 N -0.49 -0.36 -0.55 3.15 5.08 -1.24 0.25 114.58 120.41 1s2i h GLU 30 Ca 0.04 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.52 1s2i h GLU 30 Cb 0.55 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.80 1s2i h GLU 30 CO -0.21 -0.24 0.13 -0.07 -1.00 0.00 0.00 179.01 177.62 1s2i h LEU 31 N -0.37 0.04 -0.37 1.33 3.38 -0.52 -2.46 115.31 116.35 1s2i h LEU 31 Ca 0.12 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1s2i h LEU 31 Cb 0.58 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1s2i h LEU 31 CO -0.48 0.04 0.12 -0.07 0.09 0.00 0.00 178.44 178.14 1s2i h LEU 32 N 0.28 0.53 -2.16 1.67 3.38 0.48 -2.41 115.31 117.08 1s2i h LEU 32 Ca 0.28 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1s2i h LEU 32 Cb 0.38 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1s2i h LEU 32 CO -0.35 0.59 0.28 0.00 0.09 0.00 0.00 178.44 179.05 1s2i h ALA 33 N 0.96 1.30 -0.01 1.53 0.00 -0.09 0.41 119.26 123.37 1s2i h ALA 33 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1s2i h ALA 33 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1s2i h ALA 33 CO -0.00 -0.28 -0.32 1.63 0.00 0.00 0.00 179.25 180.27 1s2i n LYS 34 N -2.94 0.72 -3.00 0.00 5.02 -0.91 -4.86 118.16 112.20 1s2i n LYS 34 Ca -0.02 -0.44 -0.42 0.00 -2.02 0.00 0.00 58.31 55.41 1s2i n LYS 34 Cb 0.33 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.80 1s2i n LYS 34 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1s2i s ASN 35 N -2.58 6.58 0.53 4.39 3.84 0.15 -4.93 114.94 122.91 1s2i s ASN 35 Ca 0.22 0.49 0.25 0.00 0.21 0.00 0.00 52.86 54.02 1s2i s ASN 35 Cb 0.19 -2.38 1.45 0.00 -0.55 0.00 0.00 41.25 39.96 1s2i s ASN 35 CO 0.55 -0.61 2.11 -0.65 -2.79 0.00 0.00 177.10 175.72 1s2i h PRO 36 N 8.25 0.00 0.00 0.43 0.11 -1.86 -2.71 132.00 136.22 1s2i h PRO 36 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1s2i h PRO 36 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1s2i h PRO 36 CO 0.87 0.09 0.00 -1.13 -0.21 0.00 0.00 178.00 177.62 1s2i n SER 37 N -3.91 0.07 -4.71 -2.05 3.41 -1.26 -4.49 113.62 100.67 1s2i n SER 37 Ca -0.02 0.51 -0.39 0.00 -0.26 0.00 0.00 58.87 58.70 1s2i n SER 37 Cb 0.18 -0.53 -0.05 0.00 -0.26 0.00 0.00 64.21 63.56 1s2i n SER 37 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1s2i s ILE 38 N -3.01 5.06 -0.19 -1.33 1.01 -1.03 -0.96 121.20 120.76 1s2i s ILE 38 Ca 0.12 1.37 0.13 0.00 0.00 0.00 0.00 60.65 62.26 1s2i s ILE 38 Cb 0.16 -4.01 -0.23 0.00 0.01 0.00 0.00 42.46 38.39 1s2i s ILE 38 CO 0.46 0.25 0.11 0.00 0.00 0.00 0.00 174.94 175.77 1s2i n ALA 39 N 3.84 1.46 -3.51 9.38 0.00 0.40 -4.79 120.51 127.29 1s2i n ALA 39 Ca -0.02 -1.18 -0.17 0.00 0.00 0.00 0.00 53.44 52.07 1s2i n ALA 39 Cb 0.51 -0.28 -0.05 0.00 0.00 0.00 0.00 19.45 19.63 1s2i n ALA 39 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1s2i s HIS 40 N -2.51 -0.63 -0.06 0.00 5.65 -0.85 -5.02 115.29 111.86 1s2i s HIS 40 Ca -0.15 1.00 0.01 0.00 0.25 0.00 0.00 55.06 56.17 1s2i s HIS 40 Cb 0.07 0.43 0.02 0.00 -1.18 0.00 0.00 32.58 31.92 1s2i s HIS 40 CO 0.78 -0.63 -0.07 0.08 -0.65 0.00 0.00 174.74 174.25 1s2i s VAL 41 N -1.55 0.75 -0.14 0.89 1.01 -1.26 -0.92 120.40 119.18 1s2i s VAL 41 Ca -0.09 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1s2i s VAL 41 Cb -0.00 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 1s2i s VAL 41 CO 0.06 0.28 -0.15 0.12 0.00 0.00 0.00 175.10 175.42 1s2i s PHE 42 N 1.00 2.78 -0.19 5.22 5.36 -0.29 -4.99 117.98 126.88 1s2i s PHE 42 Ca -0.09 -0.83 0.01 0.00 -0.96 0.00 0.00 56.93 55.06 1s2i s PHE 42 Cb -0.14 -1.85 0.03 0.00 -0.34 0.00 0.00 43.02 40.71 1s2i s PHE 42 CO -0.00 -0.33 -0.16 0.12 -1.46 0.00 0.00 175.22 173.39 1s2i s PHE 43 N 0.54 2.65 0.50 10.12 5.36 -1.26 -1.29 117.98 134.60 1s2i s PHE 43 Ca -0.09 -1.63 0.26 0.00 -0.96 0.00 0.00 56.93 54.50 1s2i s PHE 43 Cb -0.16 -1.80 1.34 0.00 -0.34 0.00 0.00 43.02 42.05 1s2i s PHE 43 CO 0.04 -0.78 1.91 -1.00 -1.46 0.00 0.00 175.22 173.93 1s2i h PRO 44 N 7.95 0.12 0.00 10.12 0.13 -1.95 -2.57 132.00 145.80 1s2i h PRO 44 Ca -0.38 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1s2i h PRO 44 Cb 1.12 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1s2i h PRO 44 CO 0.56 0.08 -0.30 1.19 -0.23 0.00 0.00 178.00 179.31 1s2i n PHE 45 N -4.37 0.02 0.00 1.56 3.01 -1.26 -4.59 117.46 111.83 1s2i n PHE 45 Ca 0.16 0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.63 1s2i n PHE 45 Cb 0.78 -0.37 0.00 0.00 -0.01 0.00 0.00 39.48 39.89 1s2i n PHE 45 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1s2i n ASP 46 N -1.52 0.00 -4.86 4.37 8.00 -0.97 -4.79 116.55 116.77 1s2i n ASP 46 Ca 0.06 0.52 -0.21 0.00 0.71 0.00 0.00 54.79 55.87 1s2i n ASP 46 Cb 0.34 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 1s2i n ASP 46 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1s2i s ASP 47 N -2.49 5.29 0.19 -2.24 1.01 -1.26 -5.14 116.67 112.03 1s2i s ASP 47 Ca 0.00 -0.52 -0.05 0.00 0.71 0.00 0.00 52.55 52.69 1s2i s ASP 47 Cb 0.00 -0.92 -0.03 0.00 1.01 0.00 0.00 42.92 42.98 1s2i s ASP 47 CO 0.00 -0.41 0.22 -0.83 0.21 0.00 0.00 175.17 174.36 1s2i s GLY 48 N -4.03 0.95 0.02 0.21 0.00 -1.26 -5.01 107.32 98.21 1s2i s GLY 48 Ca 0.42 -1.31 -0.22 0.00 0.00 0.00 0.00 44.72 43.61 1s2i s GLY 48 CO 0.27 -1.11 0.66 -0.12 0.00 0.00 0.00 173.10 172.80 1s2i s PHE 49 N -4.07 3.72 -0.26 1.90 5.36 -1.26 -5.06 117.98 118.31 1s2i s PHE 49 Ca 0.28 1.31 -0.04 0.00 -0.96 0.00 0.00 56.93 57.52 1s2i s PHE 49 Cb 0.05 -2.68 0.02 0.00 -0.34 0.00 0.00 43.02 40.07 1s2i s PHE 49 CO 0.07 0.35 -0.01 0.99 -1.46 0.00 0.00 175.22 175.15 1s2i s THR 50 N -0.24 3.29 -0.69 0.12 2.01 -1.26 -5.01 115.64 113.86 1s2i s THR 50 Ca 0.34 -0.87 -0.24 0.00 0.31 0.00 0.00 61.69 61.22 1s2i s THR 50 Cb -0.19 -2.67 0.06 0.00 0.01 0.00 0.00 72.50 69.71 1s2i s THR 50 CO 0.20 0.17 1.07 -0.62 -0.69 0.00 0.00 174.62 174.75 1s2i s ASP 51 N 1.40 6.17 0.62 3.53 -1.08 -1.26 -4.87 116.67 121.17 1s2i s ASP 51 Ca 0.01 -0.81 0.29 0.00 -0.52 0.00 0.00 52.55 51.53 1s2i s ASP 51 Cb -0.17 -2.47 1.53 0.00 -1.46 0.00 0.00 42.92 40.36 1s2i s ASP 51 CO -0.02 -1.58 1.92 -0.65 0.52 0.00 0.00 175.17 175.36 1s2i h PRO 52 N 9.73 0.00 -0.52 4.34 0.11 -2.01 0.69 132.00 144.34 1s2i h PRO 52 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1s2i h PRO 52 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1s2i h PRO 52 CO 1.22 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 175.54 1s2i n ASP 53 N -3.43 2.57 -4.28 -2.05 -0.08 -1.26 -4.76 116.55 103.26 1s2i n ASP 53 Ca 0.04 -2.16 -0.40 0.00 -1.51 0.00 0.00 54.79 50.76 1s2i n ASP 53 Cb 0.54 -0.37 -0.11 0.00 2.34 0.00 0.00 41.12 43.52 1s2i n ASP 53 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1s2i s GLU 54 N -1.63 2.61 0.00 -0.67 2.12 0.24 -5.04 118.70 116.33 1s2i s GLU 54 Ca 0.27 -1.37 0.00 0.00 0.36 0.00 0.00 54.97 54.23 1s2i s GLU 54 Cb 0.16 -3.70 0.00 0.00 0.26 0.00 0.00 34.13 30.86 1s2i s GLU 54 CO 0.15 -0.87 0.00 0.36 -0.54 0.00 0.00 175.26 174.36 1s2i n LYS 55 N 4.89 0.00 -3.65 4.30 -0.00 -1.26 -4.38 118.16 118.07 1s2i n LYS 55 Ca -0.10 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.83 1s2i n LYS 55 Cb 0.44 -0.27 -0.08 0.00 -0.00 0.00 0.00 35.03 35.12 1s2i n LYS 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1s2i s ASN 56 N -2.74 5.68 -0.38 -5.58 2.20 -1.26 -5.05 114.94 107.81 1s2i s ASN 56 Ca 0.00 -3.18 -0.41 0.00 -0.94 0.00 0.00 52.86 48.33 1s2i s ASN 56 Cb 0.00 -1.91 -0.16 0.00 -2.00 0.00 0.00 41.25 37.17 1s2i s ASN 56 CO 0.00 -0.32 1.88 -2.65 -2.94 0.00 0.00 177.10 173.07 1s2i n PRO 57 N 3.08 0.71 -3.45 3.55 -0.02 -1.26 -4.91 135.00 132.70 1s2i n PRO 57 Ca 0.14 0.24 -0.43 0.00 -2.02 0.00 0.00 63.50 61.42 1s2i n PRO 57 Cb 0.38 -1.95 -0.09 0.00 -0.02 0.00 0.00 33.50 31.83 1s2i n PRO 57 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1s2i s GLU 58 N 4.41 2.94 -0.77 -0.52 0.41 -1.26 -5.01 118.70 118.90 1s2i s GLU 58 Ca 1.06 -1.22 -0.25 0.00 -0.41 0.00 0.00 54.97 54.15 1s2i s GLU 58 Cb -1.19 -4.02 -0.04 0.00 -1.78 0.00 0.00 34.13 27.10 1s2i s GLU 58 CO 0.66 -0.90 1.91 0.42 -0.49 0.00 0.00 175.26 176.87 1s2i s ILE 59 N 1.63 3.40 0.00 -1.63 1.01 -1.26 0.17 121.20 124.52 1s2i s ILE 59 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.58 1s2i s ILE 59 Cb -0.22 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.29 1s2i s ILE 59 CO 0.08 -0.92 0.00 0.61 0.00 0.00 0.00 174.94 174.71 1s2i n GLY 60 N 6.34 0.93 0.69 6.18 0.00 -1.26 -5.10 105.19 112.97 1s2i n GLY 60 Ca 0.31 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.28 1s2i n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s2i n GLY 61 N -0.57 -1.14 1.74 -0.02 0.00 0.44 -4.93 105.19 100.71 1s2i n GLY 61 Ca 0.00 -1.69 -0.09 0.00 0.00 0.00 0.00 46.02 44.25 1s2i n GLY 61 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1s2i n ILE 62 N -2.31 2.44 -0.53 -0.61 5.41 -1.26 -4.94 119.36 117.56 1s2i n ILE 62 Ca 0.03 -1.15 -0.18 0.00 1.00 0.00 0.00 62.75 62.45 1s2i n ILE 62 Cb 0.10 -1.47 -0.01 0.00 -0.71 0.00 0.00 39.64 37.56 1s2i n ILE 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1s2i n ARG 63 N 1.07 0.00 -1.42 0.38 1.74 -1.26 -4.91 116.66 112.26 1s2i n ARG 63 Ca 0.17 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.93 1s2i n ARG 63 Cb 0.56 -0.39 0.09 0.00 -1.02 0.00 0.00 32.46 31.70 1s2i n ARG 63 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1s2i s SER 64 N -0.39 4.44 0.36 0.55 1.04 -1.26 -4.83 113.70 113.61 1s2i s SER 64 Ca 0.24 2.08 0.05 0.00 0.48 0.00 0.00 55.95 58.80 1s2i s SER 64 Cb -0.32 -2.56 0.69 0.00 0.10 0.00 0.00 66.02 63.93 1s2i s SER 64 CO 0.23 -2.09 1.96 -0.03 0.98 0.00 0.00 173.24 174.29 1s2i h MET 65 N -0.57 0.60 -0.18 4.02 4.05 -1.98 -1.24 114.93 119.63 1s2i h MET 65 Ca -0.46 -0.07 -0.03 0.00 -0.28 0.00 0.00 59.70 58.86 1s2i h MET 65 Cb 1.26 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.94 1s2i h MET 65 CO 0.51 0.49 0.01 0.28 0.23 0.00 0.00 176.91 178.42 1s2i h VAL 66 N 0.60 1.25 0.16 -5.77 2.07 -1.98 0.17 116.25 112.75 1s2i h VAL 66 Ca 0.15 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1s2i h VAL 66 Cb 0.11 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1s2i h VAL 66 CO -0.02 0.25 -0.08 -0.25 0.02 0.00 0.00 177.57 177.49 1s2i h TRP 67 N 0.07 -0.20 -0.14 1.57 7.01 -1.87 -0.47 115.95 121.92 1s2i h TRP 67 Ca 0.05 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.09 1s2i h TRP 67 Cb 0.37 0.07 -0.06 0.00 -2.10 0.00 0.00 29.16 27.44 1s2i h TRP 67 CO 0.03 -0.09 -0.27 0.00 -2.79 0.00 0.00 178.44 175.33 1s2i h ARG 68 N -0.27 -0.32 -0.42 2.65 3.08 -1.20 0.93 114.38 118.83 1s2i h ARG 68 Ca -0.02 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.10 1s2i h ARG 68 Cb 0.21 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 1s2i h ARG 68 CO 0.04 -0.21 0.14 -0.44 -1.07 0.00 0.00 179.97 178.42 1s2i h ASP 69 N -0.33 0.13 0.01 7.04 3.32 -0.48 0.04 116.42 126.15 1s2i h ASP 69 Ca 0.10 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 1s2i h ASP 69 Cb 0.49 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 1s2i h ASP 69 CO -0.33 0.11 -0.31 0.00 -1.72 0.00 0.00 179.24 176.99 1s2i h ALA 70 N 1.28 1.06 -0.04 3.45 0.00 -0.62 -1.60 119.26 122.79 1s2i h ALA 70 Ca 0.20 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1s2i h ALA 70 Cb 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1s2i h ALA 70 CO -0.21 0.58 -0.23 1.15 0.00 0.00 0.00 179.25 180.54 1s2i h THR 71 N 0.39 1.47 -0.54 0.00 2.02 -0.47 -0.90 112.91 114.87 1s2i h THR 71 Ca 0.05 -1.72 0.02 0.00 0.77 0.00 0.00 66.41 65.53 1s2i h THR 71 Cb 0.74 2.46 -0.03 0.00 -1.74 0.00 0.00 68.15 69.57 1s2i h THR 71 CO 0.06 0.48 0.33 0.22 0.37 0.00 0.00 175.52 176.98 1s2i h TYR 72 N -0.33 0.62 -0.43 3.16 3.20 -1.01 -2.45 116.97 119.74 1s2i h TYR 72 Ca -0.02 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 1s2i h TYR 72 Cb 0.90 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 1s2i h TYR 72 CO 0.14 0.36 -0.09 0.37 -1.64 0.00 0.00 178.16 177.31 1s2i h GLN 73 N 0.66 0.76 0.00 1.82 5.75 -1.31 -2.23 115.11 120.56 1s2i h GLN 73 Ca 0.21 -0.24 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1s2i h GLN 73 Cb 0.00 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 28.48 1s2i h GLN 73 CO -0.09 0.83 -0.06 -0.91 -2.65 0.00 0.00 178.83 175.95 1s2i h ASN 74 N 0.69 0.00 0.03 -0.69 2.35 -0.69 0.08 115.58 117.35 1s2i h ASN 74 Ca 0.12 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.77 1s2i h ASN 74 Cb 0.55 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.93 1s2i h ASN 74 CO 0.03 0.06 -0.42 0.44 -1.65 0.00 0.00 177.43 175.90 1s2i h ASP 75 N 0.00 0.31 -0.97 5.81 3.32 -1.11 -2.64 116.42 121.14 1s2i h ASP 75 Ca -0.00 -0.85 0.01 0.00 0.02 0.00 0.00 57.03 56.21 1s2i h ASP 75 Cb 0.14 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 1s2i h ASP 75 CO 0.01 1.12 0.64 -0.07 -1.72 0.00 0.00 179.24 179.22 1s2i h LEU 76 N -0.46 1.11 -0.79 1.55 3.38 -0.95 0.82 115.31 119.97 1s2i h LEU 76 Ca -0.06 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1s2i h LEU 76 Cb 1.22 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.64 1s2i h LEU 76 CO 0.08 0.81 0.50 0.74 0.09 0.00 0.00 178.44 180.65 1s2i h THR 77 N 1.31 1.10 -0.46 0.22 2.02 -1.05 0.73 112.91 116.79 1s2i h THR 77 Ca 0.35 -0.33 -0.09 0.00 0.77 0.00 0.00 66.41 67.11 1s2i h THR 77 Cb -0.15 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.30 1s2i h THR 77 CO -0.08 0.18 -0.09 1.23 0.37 0.00 0.00 175.52 177.13 1s2i h GLY 78 N 0.96 0.89 1.11 2.16 0.00 -0.75 -0.12 103.07 107.33 1s2i h GLY 78 Ca 0.32 -0.67 -0.13 0.00 0.00 0.00 0.00 47.33 46.85 1s2i h GLY 78 CO -0.12 0.62 -0.18 -2.22 0.00 0.00 0.00 176.54 174.63 1s2i h ILE 79 N 0.75 1.27 -0.44 2.60 2.04 0.26 -0.81 117.51 123.18 1s2i h ILE 79 Ca 0.13 -1.35 -0.03 0.00 1.00 0.00 0.00 64.86 64.61 1s2i h ILE 79 Cb 0.58 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 1s2i h ILE 79 CO 0.04 0.47 0.17 -1.28 0.00 0.00 0.00 178.15 177.55 1s2i h SER 80 N 0.89 0.61 0.92 1.72 0.87 0.90 -3.03 113.55 116.44 1s2i h SER 80 Ca 0.12 -0.17 -0.13 0.00 -1.23 0.00 0.00 61.79 60.37 1s2i h SER 80 Cb 0.76 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 1s2i h SER 80 CO 0.06 0.62 -0.64 0.78 -0.53 0.00 0.00 176.83 177.12 1s2i h ASN 81 N 0.57 0.00 -4.00 6.23 2.35 -0.98 -3.46 115.58 116.29 1s2i h ASN 81 Ca 0.15 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.38 1s2i h ASN 81 Cb 0.20 0.00 0.07 0.00 0.05 0.00 0.00 38.32 38.64 1s2i h ASN 81 CO -0.01 0.64 0.51 0.00 -1.65 0.00 0.00 177.43 176.92 1s2i s ALA 82 N -3.26 3.00 -0.15 -0.83 0.00 -0.31 -4.90 121.76 115.30 1s2i s ALA 82 Ca 0.01 1.01 0.20 0.00 0.00 0.00 0.00 51.96 53.17 1s2i s ALA 82 Cb 0.11 -3.41 -0.14 0.00 0.00 0.00 0.00 23.12 19.67 1s2i s ALA 82 CO 0.76 -0.74 0.76 0.25 0.00 0.00 0.00 175.76 176.78 1s2i n THR 83 N -0.44 0.83 -3.58 0.00 -2.24 0.18 -4.96 114.28 104.06 1s2i n THR 83 Ca 0.07 -0.63 -0.12 0.00 -2.27 0.00 0.00 64.05 61.10 1s2i n THR 83 Cb 0.47 -0.47 -0.05 0.00 -2.10 0.00 0.00 70.33 68.19 1s2i n THR 83 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s2i s GLY 85 N -2.47 1.72 -0.20 0.00 0.00 -0.61 -1.18 107.32 104.58 1s2i s GLY 85 Ca -0.01 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 43.82 1s2i s GLY 85 CO -0.08 -0.69 -0.10 0.14 0.00 0.00 0.00 173.10 172.36 1s2i s VAL 86 N -0.85 1.66 -0.20 1.40 1.01 0.07 0.90 120.40 124.38 1s2i s VAL 86 Ca 0.13 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 1s2i s VAL 86 Cb -0.11 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 1s2i s VAL 86 CO 0.03 0.17 -0.05 -0.36 0.00 0.00 0.00 175.10 174.88 1s2i s PHE 87 N 1.39 2.95 -0.96 5.22 0.08 -0.08 -0.89 117.98 125.69 1s2i s PHE 87 Ca -0.01 -0.77 -0.21 0.00 0.12 0.00 0.00 56.93 56.05 1s2i s PHE 87 Cb -0.16 -2.06 0.08 0.00 -0.57 0.00 0.00 43.02 40.32 1s2i s PHE 87 CO -0.08 -0.42 1.28 -0.51 -0.10 0.00 0.00 175.22 175.40 1s2i s LEU 88 N 1.17 4.19 -0.29 -0.37 1.02 -0.27 -1.02 118.68 123.11 1s2i s LEU 88 Ca 0.02 -1.65 -0.19 0.00 0.02 0.00 0.00 54.13 52.33 1s2i s LEU 88 Cb -0.14 -2.49 -0.02 0.00 0.02 0.00 0.00 46.19 43.56 1s2i s LEU 88 CO -0.01 -1.33 0.57 -0.47 0.02 0.00 0.00 176.35 175.14 1s2i s TYR 89 N 3.98 3.24 -0.58 0.29 5.04 -0.19 -4.42 117.35 124.71 1s2i s TYR 89 Ca 0.39 0.57 -0.26 0.00 -2.44 0.00 0.00 57.07 55.33 1s2i s TYR 89 Cb -0.03 -2.86 0.04 0.00 0.35 0.00 0.00 41.96 39.45 1s2i s TYR 89 CO -0.08 -0.39 1.07 0.34 -1.34 0.00 0.00 175.55 175.14 1s2i s ASP 90 N 1.60 6.37 0.00 4.32 -1.08 -1.26 0.01 116.67 126.63 1s2i s ASP 90 Ca 0.23 -0.19 0.25 0.00 -0.52 0.00 0.00 52.55 52.32 1s2i s ASP 90 Cb -0.15 -2.49 1.30 0.00 -1.46 0.00 0.00 42.92 40.12 1s2i s ASP 90 CO 0.11 -1.38 1.86 0.23 0.52 0.00 0.00 175.17 176.51 1s2i n MET 91 N 8.00 0.39 -0.05 4.34 2.81 0.09 -3.34 117.12 129.35 1s2i n MET 91 Ca 0.04 0.04 -0.16 0.00 -1.81 0.00 0.00 57.70 55.82 1s2i n MET 91 Cb 0.48 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.35 1s2i n MET 91 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1s2i n ASP 92 N -1.26 1.45 -3.56 7.83 10.43 -1.26 -4.71 116.55 125.47 1s2i n ASP 92 Ca 0.13 0.13 -0.29 0.00 2.57 0.00 0.00 54.79 57.33 1s2i n ASP 92 Cb 0.19 -0.25 -0.12 0.00 1.84 0.00 0.00 41.12 42.78 1s2i n ASP 92 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1s2i s GLN 93 N -2.55 1.02 -0.18 -1.24 -2.07 -1.21 -5.10 119.66 108.33 1s2i s GLN 93 Ca -0.20 -1.89 -0.38 0.00 -1.82 0.00 0.00 55.36 51.07 1s2i s GLN 93 Cb 0.07 -1.83 -0.14 0.00 -1.09 0.00 0.00 33.01 30.03 1s2i s GLN 93 CO 0.75 -1.24 1.76 1.28 -1.32 0.00 0.00 175.29 176.52 1s2i n LEU 94 N 3.43 2.71 -4.45 2.60 4.77 -1.21 -4.71 117.00 120.14 1s2i n LEU 94 Ca 0.16 1.04 -0.44 0.00 -0.03 0.00 0.00 56.01 56.75 1s2i n LEU 94 Cb 0.39 -1.23 -0.07 0.00 -2.33 0.00 0.00 43.42 40.18 1s2i n LEU 94 CO 0.17 -0.34 0.28 -0.62 -1.33 0.00 0.00 177.39 175.56 1s2i s ASP 95 N 3.47 6.22 0.59 -1.43 2.15 -1.26 -4.94 116.67 121.47 1s2i s ASP 95 Ca 0.95 -0.87 0.36 0.00 0.43 0.00 0.00 52.55 53.42 1s2i s ASP 95 Cb -0.93 -2.28 1.80 0.00 -0.30 0.00 0.00 42.92 41.21 1s2i s ASP 95 CO 0.59 -0.82 2.16 -2.24 -0.17 0.00 0.00 175.17 174.69 1s2i h ASP 96 N 8.93 0.00 0.31 -0.34 2.03 -1.99 -2.41 116.42 122.95 1s2i h ASP 96 Ca -0.27 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.01 1s2i h ASP 96 Cb 1.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.60 1s2i h ASP 96 CO 0.93 0.04 -0.15 1.23 -1.03 0.00 0.00 179.24 180.26 1s2i h GLY 97 N 0.87 -0.43 0.32 7.15 0.00 -1.99 -0.85 103.07 108.14 1s2i h GLY 97 Ca -0.00 0.16 0.10 0.00 0.00 0.00 0.00 47.33 47.59 1s2i h GLY 97 CO 0.00 -0.16 0.20 1.76 0.00 0.00 0.00 176.54 178.35 1s2i h SER 98 N -0.57 0.16 -0.71 0.19 0.02 -1.83 -0.60 113.55 110.22 1s2i h SER 98 Ca -0.04 0.09 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1s2i h SER 98 Cb 0.41 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.00 1s2i h SER 98 CO 0.07 0.10 0.44 0.00 -1.14 0.00 0.00 176.83 176.30 1s2i h ALA 99 N 1.44 0.93 -0.05 3.77 0.00 -1.33 0.27 119.26 124.28 1s2i h ALA 99 Ca 0.31 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.23 1s2i h ALA 99 Cb 0.41 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1s2i h ALA 99 CO -0.34 0.21 -0.13 0.35 0.00 0.00 0.00 179.25 179.34 1s2i h PHE 100 N 0.86 -0.34 -0.42 0.00 3.57 0.31 -2.09 116.94 118.82 1s2i h PHE 100 Ca 0.29 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 1s2i h PHE 100 Cb 0.03 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 1s2i h PHE 100 CO -0.04 -0.20 0.20 0.93 -2.23 0.00 0.00 178.31 176.97 1s2i h GLU 101 N -0.20 0.58 -0.31 1.11 5.08 -0.50 -1.43 114.58 118.91 1s2i h GLU 101 Ca 0.06 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1s2i h GLU 101 Cb 0.29 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1s2i h GLU 101 CO -0.17 0.45 0.00 0.82 -1.00 0.00 0.00 179.01 179.12 1s2i h ILE 102 N 0.59 1.26 -0.19 3.13 2.04 -0.38 -1.91 117.51 122.04 1s2i h ILE 102 Ca 0.15 -0.94 -0.12 0.00 1.00 0.00 0.00 64.86 64.95 1s2i h ILE 102 Cb 0.06 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1s2i h ILE 102 CO -0.02 0.30 -0.40 1.23 0.00 0.00 0.00 178.15 179.26 1s2i h GLY 103 N 0.35 0.47 0.92 5.37 0.00 -1.06 -1.09 103.07 108.02 1s2i h GLY 103 Ca 0.09 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 1s2i h GLY 103 CO 0.02 0.41 0.12 -2.75 0.00 0.00 0.00 176.54 174.34 1s2i h PHE 104 N 0.36 0.44 -0.59 5.60 3.57 -1.20 0.16 116.94 125.28 1s2i h PHE 104 Ca 0.03 -0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 1s2i h PHE 104 Cb 0.86 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1s2i h PHE 104 CO 0.03 0.43 -0.04 0.52 -2.23 0.00 0.00 178.31 177.02 1s2i h MET 105 N 0.32 1.06 -0.30 1.11 2.86 -1.22 -2.79 114.93 115.97 1s2i h MET 105 Ca 0.10 -0.35 -0.08 0.00 -2.06 0.00 0.00 59.70 57.31 1s2i h MET 105 Cb 0.17 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1s2i h MET 105 CO -0.01 1.05 -0.16 0.00 1.06 0.00 0.00 176.91 178.85 1s2i h ARG 106 N 0.95 0.52 0.00 1.72 2.47 -0.91 -0.44 114.38 118.69 1s2i h ARG 106 Ca 0.16 -0.16 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 1s2i h ARG 106 Cb 0.60 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.87 1s2i h ARG 106 CO 0.04 0.66 -0.07 0.00 0.56 0.00 0.00 179.97 181.16 1s2i h ALA 107 N 1.36 1.25 -0.06 0.04 0.00 -0.73 0.72 119.26 121.85 1s2i h ALA 107 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1s2i h ALA 107 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1s2i h ALA 107 CO 0.04 0.09 0.00 -1.33 0.00 0.00 0.00 179.25 178.04 1s2i n MET 108 N -3.54 1.65 -1.26 0.00 2.81 -0.27 -4.90 117.12 111.60 1s2i n MET 108 Ca -0.02 -0.95 -0.09 0.00 -1.81 0.00 0.00 57.70 54.83 1s2i n MET 108 Cb 0.19 -1.45 -0.04 0.00 -0.71 0.00 0.00 33.22 31.21 1s2i n MET 108 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1s2i n HIS 109 N 0.15 0.00 -3.11 2.03 -0.00 0.25 -5.01 115.22 109.53 1s2i n HIS 109 Ca 0.18 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.54 1s2i n HIS 109 Cb 0.33 -1.80 -0.06 0.00 -0.00 0.00 0.00 29.99 28.46 1s2i n HIS 109 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1s2i s LYS 110 N -2.71 4.24 0.32 -0.41 1.02 -0.63 -5.00 119.74 116.57 1s2i s LYS 110 Ca 0.00 0.86 -0.29 0.00 0.02 0.00 0.00 55.97 56.56 1s2i s LYS 110 Cb 0.00 -2.88 -0.10 0.00 -0.52 0.00 0.00 37.83 34.33 1s2i s LYS 110 CO 0.00 0.40 1.28 -1.25 -0.92 0.00 0.00 175.35 174.85 1s2i s PRO 111 N -1.98 4.40 -0.10 -1.68 0.04 -1.26 -4.34 135.00 130.08 1s2i s PRO 111 Ca 0.43 2.16 0.02 0.00 0.04 0.00 0.00 61.00 63.65 1s2i s PRO 111 Cb -0.17 -3.09 0.01 0.00 0.04 0.00 0.00 34.50 31.30 1s2i s PRO 111 CO 0.21 -0.14 -0.16 0.08 0.04 0.00 0.00 177.00 177.03 1s2i s VAL 112 N -1.10 1.52 -0.24 -0.36 1.01 -1.26 -1.58 120.40 118.39 1s2i s VAL 112 Ca 0.49 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.72 1s2i s VAL 112 Cb -0.39 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1s2i s VAL 112 CO 0.51 0.44 0.06 -0.63 0.00 0.00 0.00 175.10 175.48 1s2i s ILE 113 N 0.80 4.21 -0.17 2.22 1.01 0.26 -2.01 121.20 127.53 1s2i s ILE 113 Ca -0.10 -0.21 -0.13 0.00 0.00 0.00 0.00 60.65 60.21 1s2i s ILE 113 Cb -0.16 -2.96 -0.05 0.00 0.01 0.00 0.00 42.46 39.30 1s2i s ILE 113 CO 0.01 0.35 0.25 -0.22 0.00 0.00 0.00 174.94 175.34 1s2i s LEU 114 N 1.57 4.24 -0.56 2.97 2.96 0.84 -0.91 118.68 129.80 1s2i s LEU 114 Ca 0.06 0.44 0.04 0.00 -0.22 0.00 0.00 54.13 54.46 1s2i s LEU 114 Cb -0.15 -2.30 0.15 0.00 0.50 0.00 0.00 46.19 44.39 1s2i s LEU 114 CO 0.03 0.12 0.35 -0.69 -1.32 0.00 0.00 176.35 174.85 1s2i s VAL 115 N 0.41 2.18 0.24 1.68 1.01 -0.19 0.20 120.40 125.94 1s2i s VAL 115 Ca 0.14 -3.44 -0.30 0.00 0.00 0.00 0.00 61.98 58.39 1s2i s VAL 115 Cb -0.12 -2.48 -0.09 0.00 0.00 0.00 0.00 36.38 33.69 1s2i s VAL 115 CO 0.03 -0.95 1.12 -2.16 0.00 0.00 0.00 175.10 173.14 1s2i s PRO 116 N -0.55 4.60 -0.04 2.72 0.04 -1.26 -1.03 135.00 139.48 1s2i s PRO 116 Ca 0.22 1.81 0.03 0.00 0.04 0.00 0.00 61.00 63.10 1s2i s PRO 116 Cb -0.14 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1s2i s PRO 116 CO -0.08 0.12 -0.12 -0.06 0.04 0.00 0.00 177.00 176.89 1s2i s PHE 117 N -0.78 1.29 -0.00 0.56 0.08 0.10 -0.81 117.98 118.41 1s2i s PHE 117 Ca 0.47 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 57.15 1s2i s PHE 117 Cb -0.32 -0.91 -0.00 0.00 -0.57 0.00 0.00 43.02 41.22 1s2i s PHE 117 CO 0.39 -0.16 -0.03 -0.08 -0.10 0.00 0.00 175.22 175.25 1s2i s THR 118 N 0.27 0.21 -2.67 0.64 -1.32 -1.26 -0.74 115.64 110.78 1s2i s THR 118 Ca -0.06 -0.12 0.26 0.00 -1.21 0.00 0.00 61.69 60.56 1s2i s THR 118 Cb -0.11 -0.18 0.41 0.00 -1.51 0.00 0.00 72.50 71.11 1s2i s THR 118 CO 0.02 0.05 1.55 -1.84 -2.21 0.00 0.00 174.62 172.20 1s2i n GLU 119 N 3.00 1.93 -3.24 7.08 0.00 -1.26 -4.44 120.64 123.71 1s2i n GLU 119 Ca -0.13 -1.35 -0.25 0.00 0.00 0.00 0.00 57.16 55.43 1s2i n GLU 119 Cb 0.59 -1.47 -0.06 0.00 0.00 0.00 0.00 31.44 30.50 1s2i n GLU 119 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1s2i n HIS 120 N 0.64 2.31 0.10 -1.84 8.25 -1.26 -4.91 115.22 118.50 1s2i n HIS 120 Ca 0.17 -3.94 0.06 0.00 -0.26 0.00 0.00 57.72 53.76 1s2i n HIS 120 Cb 0.45 -0.48 0.33 0.00 1.12 0.00 0.00 29.99 31.41 1s2i n HIS 120 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1s2i n PRO 121 N 0.71 0.08 0.15 -0.41 -0.02 -1.26 -0.68 135.00 133.56 1s2i n PRO 121 Ca 0.27 0.56 0.12 0.00 -2.02 0.00 0.00 63.50 62.43 1s2i n PRO 121 Cb 0.47 -1.81 0.10 0.00 -0.02 0.00 0.00 33.50 32.24 1s2i n PRO 121 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1s2i h GLU 122 N 0.00 0.00 -7.35 -0.52 9.09 -1.98 -3.46 114.58 110.36 1s2i h GLU 122 Ca 0.00 0.00 -0.51 0.00 0.05 0.00 0.00 59.36 58.90 1s2i h GLU 122 Cb 0.10 0.00 0.08 0.00 -1.65 0.00 0.00 28.75 27.28 1s2i h GLU 122 CO 0.00 0.00 0.39 0.15 0.05 0.00 0.00 179.01 179.60 1s2i s LYS 123 N -3.27 3.09 0.39 1.06 1.02 0.14 -4.98 119.74 117.19 1s2i s LYS 123 Ca 0.04 0.86 -0.26 0.00 0.02 0.00 0.00 55.97 56.62 1s2i s LYS 123 Cb 0.08 -2.02 -0.11 0.00 -0.52 0.00 0.00 37.83 35.26 1s2i s LYS 123 CO 0.73 -0.96 1.16 -1.91 -0.92 0.00 0.00 175.35 173.44 1s2i n GLU 124 N -3.02 1.71 -3.18 1.68 2.13 -1.26 -4.95 120.64 113.74 1s2i n GLU 124 Ca 0.07 0.61 -0.43 0.00 0.66 0.00 0.00 57.16 58.06 1s2i n GLU 124 Cb 0.54 -2.19 -0.07 0.00 0.27 0.00 0.00 31.44 29.99 1s2i n GLU 124 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1s2i s LYS 125 N -2.00 3.16 0.05 5.31 1.02 -1.26 -5.03 119.74 120.98 1s2i s LYS 125 Ca 0.60 -0.71 0.01 0.00 0.02 0.00 0.00 55.97 55.89 1s2i s LYS 125 Cb -0.56 -4.03 -0.03 0.00 -0.52 0.00 0.00 37.83 32.70 1s2i s LYS 125 CO 0.59 -1.07 -0.06 0.15 -0.92 0.00 0.00 175.35 174.04 1s2i s LYS 126 N 2.57 0.54 -0.07 1.68 1.02 -1.26 0.21 119.74 124.43 1s2i s LYS 126 Ca 0.17 -0.90 -0.12 0.00 0.02 0.00 0.00 55.97 55.13 1s2i s LYS 126 Cb -0.17 -0.10 0.03 0.00 -0.52 0.00 0.00 37.83 37.06 1s2i s LYS 126 CO 0.14 -0.01 0.31 1.41 -0.92 0.00 0.00 175.35 176.28 1s2i s MET 127 N -2.32 0.50 0.17 1.68 1.75 0.81 -4.83 119.30 117.07 1s2i s MET 127 Ca -0.05 0.13 -0.31 0.00 -1.25 0.00 0.00 55.69 54.22 1s2i s MET 127 Cb -0.05 0.23 -0.09 0.00 2.84 0.00 0.00 34.83 37.77 1s2i s MET 127 CO -0.02 -0.11 1.39 1.21 -0.65 0.00 0.00 175.02 176.84 1s2i s ASN 128 N -0.54 6.79 0.29 1.11 2.47 -1.26 -2.89 114.94 120.92 1s2i s ASN 128 Ca -0.06 2.43 0.04 0.00 0.42 0.00 0.00 52.86 55.68 1s2i s ASN 128 Cb -0.04 -2.60 0.73 0.00 -1.45 0.00 0.00 41.25 37.89 1s2i s ASN 128 CO 0.02 -0.64 1.70 0.25 -3.72 0.00 0.00 177.10 174.71 1s2i h LEU 129 N 6.11 0.33 -1.37 3.21 5.85 -1.91 -0.99 115.31 126.53 1s2i h LEU 129 Ca -0.44 0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.48 1s2i h LEU 129 Cb 1.21 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.34 1s2i h LEU 129 CO 0.83 -0.00 0.45 0.24 -0.34 0.00 0.00 178.44 179.62 1s2i h MET 130 N 0.40 0.79 0.01 1.25 2.86 -1.90 0.19 114.93 118.52 1s2i h MET 130 Ca 0.56 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 58.12 1s2i h MET 130 Cb 1.06 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.55 1s2i h MET 130 CO -0.53 0.52 -0.14 0.82 1.06 0.00 0.00 176.91 178.65 1s2i h ILE 131 N 0.81 1.65 -0.46 -1.22 1.08 -1.60 -0.22 117.51 117.55 1s2i h ILE 131 Ca 0.28 -2.08 0.03 0.00 -0.39 0.00 0.00 64.86 62.70 1s2i h ILE 131 Cb 0.08 3.02 -0.02 0.00 -3.07 0.00 0.00 36.82 36.83 1s2i h ILE 131 CO -0.08 0.55 0.31 0.00 -0.69 0.00 0.00 178.15 178.24 1s2i h ALA 132 N 0.15 1.80 0.07 1.87 0.00 -1.00 -0.30 119.26 121.85 1s2i h ALA 132 Ca -0.02 -0.02 -0.36 0.00 0.00 0.00 0.00 54.91 54.51 1s2i h ALA 132 Cb 0.98 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1s2i h ALA 132 CO 0.03 0.15 -2.07 0.94 0.00 0.00 0.00 179.25 178.29 1s2i n GLN 133 N -4.48 0.71 -0.08 0.00 -0.06 0.63 -4.27 117.38 109.83 1s2i n GLN 133 Ca 0.05 0.23 -0.04 0.00 -2.00 0.00 0.00 57.00 55.24 1s2i n GLN 133 Cb 0.15 -1.67 0.17 0.00 -4.06 0.00 0.00 30.24 24.82 1s2i n GLN 133 CO 0.00 0.00 0.00 0.78 -0.20 0.00 0.00 177.06 177.64 1s2i h GLY 134 N 1.87 0.79 -3.39 1.69 0.00 -0.82 -3.44 103.07 99.77 1s2i h GLY 134 Ca -0.44 -0.55 -0.53 0.00 0.00 0.00 0.00 47.33 45.81 1s2i h GLY 134 CO 0.05 0.51 0.62 0.14 0.00 0.00 0.00 176.54 177.85 1s2i s VAL 135 N -4.89 2.56 -0.11 4.60 1.01 -0.14 -4.83 120.40 118.60 1s2i s VAL 135 Ca -0.09 0.50 0.17 0.00 0.00 0.00 0.00 61.98 62.56 1s2i s VAL 135 Cb 0.14 -3.29 -0.25 0.00 0.00 0.00 0.00 36.38 32.98 1s2i s VAL 135 CO 0.81 0.07 0.21 0.35 0.00 0.00 0.00 175.10 176.54 1s2i n THR 136 N 0.05 0.72 -3.73 3.92 -2.24 -0.85 -4.76 114.28 107.39 1s2i n THR 136 Ca 0.04 -0.63 -0.12 0.00 -2.27 0.00 0.00 64.05 61.07 1s2i n THR 136 Cb 0.43 -0.28 -0.13 0.00 -2.10 0.00 0.00 70.33 68.26 1s2i n THR 136 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1s2i s THR 137 N -2.81 -0.03 -0.06 4.28 2.01 -0.96 -1.13 115.64 116.94 1s2i s THR 137 Ca -0.08 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.06 1s2i s THR 137 Cb 0.08 -0.41 -0.03 0.00 0.01 0.00 0.00 72.50 72.16 1s2i s THR 137 CO 0.76 0.05 -0.08 -0.51 -0.69 0.00 0.00 174.62 174.16 1s2i s ILE 138 N 1.16 3.62 -0.29 1.82 2.07 -0.89 -0.11 121.20 128.58 1s2i s ILE 138 Ca -0.08 -0.52 -0.04 0.00 -1.41 0.00 0.00 60.65 58.60 1s2i s ILE 138 Cb -0.09 -2.48 0.10 0.00 0.13 0.00 0.00 42.46 40.12 1s2i s ILE 138 CO -0.08 0.59 0.15 -0.63 -1.91 0.00 0.00 174.94 173.05 1s2i s ILE 139 N -0.81 -0.10 -0.31 2.00 1.01 0.13 -4.92 121.20 118.21 1s2i s ILE 139 Ca 0.12 -0.74 -0.38 0.00 0.00 0.00 0.00 60.65 59.66 1s2i s ILE 139 Cb -0.11 -0.98 -0.14 0.00 0.01 0.00 0.00 42.46 41.24 1s2i s ILE 139 CO 0.02 -0.71 1.96 -0.67 0.00 0.00 0.00 174.94 175.54 1s2i n ASP 140 N 5.25 2.27 -0.30 3.58 -0.08 -1.26 -3.98 116.55 122.03 1s2i n ASP 140 Ca -0.06 0.79 -0.05 0.00 -1.51 0.00 0.00 54.79 53.96 1s2i n ASP 140 Cb 0.42 -1.19 0.08 0.00 2.34 0.00 0.00 41.12 42.78 1s2i n ASP 140 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1s2i h GLY 141 N 9.50 1.30 2.00 0.27 0.00 -1.19 0.42 103.07 115.37 1s2i h GLY 141 Ca -0.37 -0.66 -0.05 0.00 0.00 0.00 0.00 47.33 46.26 1s2i h GLY 141 CO 0.99 0.62 -0.23 3.43 0.00 0.00 0.00 176.54 181.35 1s2i h ASN 142 N 1.19 0.00 0.00 0.19 2.35 -1.88 -3.24 115.58 114.19 1s2i h ASN 142 Ca 0.28 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.97 1s2i h ASN 142 Cb 0.14 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1s2i h ASN 142 CO -0.03 0.23 -1.24 0.41 -1.65 0.00 0.00 177.43 175.15 1s2i n THR 143 N -3.54 0.24 -1.37 2.81 -1.04 -1.01 -4.81 114.28 105.56 1s2i n THR 143 Ca -0.01 -0.10 0.08 0.00 -2.04 0.00 0.00 64.05 61.98 1s2i n THR 143 Cb 0.38 -0.70 0.18 0.00 -1.82 0.00 0.00 70.33 68.37 1s2i n THR 143 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1s2i n GLU 144 N -2.53 1.47 -0.34 -2.82 1.02 0.14 -4.78 120.64 112.82 1s2i n GLU 144 Ca -0.07 -2.99 0.27 0.00 -0.02 0.00 0.00 57.16 54.35 1s2i n GLU 144 Cb 0.59 -1.57 0.58 0.00 -0.02 0.00 0.00 31.44 31.02 1s2i n GLU 144 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1s2i h PHE 145 N 0.58 0.48 0.00 -0.32 3.57 -1.51 0.16 116.94 119.90 1s2i h PHE 145 Ca 0.00 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1s2i h PHE 145 Cb 1.01 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.61 1s2i h PHE 145 CO 0.44 0.02 -0.12 0.93 -2.23 0.00 0.00 178.31 177.34 1s2i h GLU 146 N 0.26 0.00 -0.22 1.11 4.39 -1.89 -2.91 114.58 115.32 1s2i h GLU 146 Ca 0.61 0.00 0.07 0.00 0.34 0.00 0.00 59.36 60.38 1s2i h GLU 146 Cb 1.81 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.45 1s2i h GLU 146 CO -0.24 0.12 0.27 0.87 -1.16 0.00 0.00 179.01 178.87 1s2i h LYS 147 N 0.00 0.00 -0.00 2.33 1.57 -1.06 -1.43 116.57 117.98 1s2i h LYS 147 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1s2i h LYS 147 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1s2i h LYS 147 CO 0.02 0.00 0.26 -0.07 -0.57 0.00 0.00 179.45 179.08 1s2i h LEU 148 N 0.00 0.00 0.00 2.94 3.38 -1.69 0.23 115.31 120.17 1s2i h LEU 148 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1s2i h LEU 148 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1s2i h LEU 148 CO -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 178.44 177.98 1s2i h ALA 149 N 1.49 0.69 0.00 1.53 0.00 -1.39 -3.37 119.26 118.21 1s2i h ALA 149 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1s2i h ALA 149 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1s2i h ALA 149 CO -0.00 0.00 -1.55 -0.25 0.00 0.00 0.00 179.25 177.45 1s2i n ASP 150 N -2.56 2.47 -4.67 0.00 8.00 0.61 -4.00 116.55 116.40 1s2i n ASP 150 Ca 0.02 0.00 -0.49 0.00 0.71 0.00 0.00 54.79 55.04 1s2i n ASP 150 Cb 0.50 1.33 -0.05 0.00 -0.02 0.00 0.00 41.12 42.88 1s2i n ASP 150 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s2i n TYR 151 N -2.00 2.19 -2.38 1.24 9.36 -0.01 -4.87 117.16 120.69 1s2i n TYR 151 Ca -0.05 0.22 -0.38 0.00 3.32 0.00 0.00 57.90 61.01 1s2i n TYR 151 Cb 0.41 -2.56 -0.03 0.00 -0.63 0.00 0.00 39.34 36.53 1s2i n TYR 151 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1s2i s ASN 152 N 2.36 5.98 0.00 2.98 3.84 -1.26 -4.82 114.94 124.02 1s2i s ASN 152 Ca 0.87 -0.83 0.14 0.00 0.21 0.00 0.00 52.86 53.25 1s2i s ASN 152 Cb -0.75 -2.56 0.83 0.00 -0.55 0.00 0.00 41.25 38.22 1s2i s ASN 152 CO 0.47 -1.96 1.31 0.49 -2.79 0.00 0.00 177.10 174.62 1s2i n PHE 153 N 10.57 0.00 0.20 0.43 3.72 -1.26 -1.27 117.46 129.85 1s2i n PHE 153 Ca 0.26 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.77 1s2i n PHE 153 Cb 0.50 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 39.18 1s2i n PHE 153 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1s2i h ASN 154 N 0.00 0.00 0.00 4.37 2.35 -1.88 -3.34 115.58 117.09 1s2i h ASN 154 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1s2i h ASN 154 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1s2i h ASN 154 CO 0.00 0.06 -0.18 -0.62 -1.65 0.00 0.00 177.43 175.04 1s2i n GLU 155 N -3.08 3.40 -3.77 0.81 1.02 -1.04 -4.95 120.64 113.04 1s2i n GLU 155 Ca 0.03 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.89 1s2i n GLU 155 Cb 0.56 -0.46 0.01 0.00 -0.02 0.00 0.00 31.44 31.53 1s2i n GLU 155 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s2i n PRO 157 N -3.38 2.60 -2.05 0.00 -0.04 -1.26 -4.96 135.00 125.92 1s2i n PRO 157 Ca -0.20 0.91 -0.32 0.00 -0.04 0.00 0.00 63.50 63.86 1s2i n PRO 157 Cb 0.63 -2.63 -0.00 0.00 -0.04 0.00 0.00 33.50 31.45 1s2i n PRO 157 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1s2i s SER 158 N -0.11 6.27 -0.42 3.54 1.04 -1.26 -4.82 113.70 117.94 1s2i s SER 158 Ca 0.54 1.52 0.06 0.00 0.48 0.00 0.00 55.95 58.55 1s2i s SER 158 Cb -0.49 -2.49 0.17 0.00 0.10 0.00 0.00 66.02 63.31 1s2i s SER 158 CO 0.62 -0.84 0.54 0.21 0.98 0.00 0.00 173.24 174.75 1s2i s ASN 159 N -3.63 -0.36 0.26 7.02 2.47 -0.28 -4.95 114.94 115.46 1s2i s ASN 159 Ca 0.57 -1.41 -0.29 0.00 0.42 0.00 0.00 52.86 52.16 1s2i s ASN 159 Cb -0.11 1.29 -0.15 0.00 -1.45 0.00 0.00 41.25 40.83 1s2i s ASN 159 CO 0.44 -0.18 1.00 -2.65 -3.72 0.00 0.00 177.10 171.99 1s2i n PRO 160 N 3.97 1.19 -1.95 0.43 -0.02 -1.25 -2.10 135.00 135.27 1s2i n PRO 160 Ca 0.14 0.42 -0.41 0.00 -2.02 0.00 0.00 63.50 61.63 1s2i n PRO 160 Cb 0.52 -1.78 -0.02 0.00 -0.02 0.00 0.00 33.50 32.20 1s2i n PRO 160 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1s2i s VAL 161 N -0.87 2.45 0.13 -1.45 1.01 -1.26 -4.83 120.40 115.59 1s2i s VAL 161 Ca 0.62 0.40 -0.15 0.00 0.00 0.00 0.00 61.98 62.85 1s2i s VAL 161 Cb -0.75 -3.26 0.03 0.00 0.00 0.00 0.00 36.38 32.40 1s2i s VAL 161 CO 0.58 0.08 0.39 -0.13 0.00 0.00 0.00 175.10 176.02 1s2i s ARG 162 N -0.96 1.10 0.00 2.72 0.52 -1.26 -4.92 118.95 116.15 1s2i s ARG 162 Ca 0.57 -0.78 0.00 0.00 -0.52 0.00 0.00 55.73 55.00 1s2i s ARG 162 Cb -0.43 0.46 0.00 0.00 0.52 0.00 0.00 34.95 35.50 1s2i s ARG 162 CO 0.49 -0.43 0.00 0.41 0.02 0.00 0.00 175.30 175.80 1s2i n GLY 163 N -0.23 0.65 3.49 -3.53 0.00 -1.26 -5.03 105.19 99.29 1s2i n GLY 163 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1s2i n GLY 163 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s2i s TYR 164 N -2.43 2.76 0.57 1.61 2.02 -1.26 -4.91 117.35 115.71 1s2i s TYR 164 Ca 0.00 -0.17 -0.18 0.00 -0.37 0.00 0.00 57.07 56.35 1s2i s TYR 164 Cb 0.00 -1.67 -0.05 0.00 -0.40 0.00 0.00 41.96 39.84 1s2i s TYR 164 CO 0.00 0.17 1.12 0.20 -1.57 0.00 0.00 175.55 175.48 1s2i s GLY 165 N -0.63 2.52 -0.11 0.71 0.00 0.13 -4.79 107.32 105.15 1s2i s GLY 165 Ca 0.09 0.76 0.02 0.00 0.00 0.00 0.00 44.72 45.59 1s2i s GLY 165 CO 0.01 1.11 -0.18 -0.42 0.00 0.00 0.00 173.10 173.63 1s2i s ILE 166 N -1.90 1.69 -0.15 0.90 1.01 -1.26 -0.13 121.20 121.35 1s2i s ILE 166 Ca 0.71 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 60.61 1s2i s ILE 166 Cb -0.23 -1.52 0.01 0.00 0.01 0.00 0.00 42.46 40.73 1s2i s ILE 166 CO 0.30 0.48 0.54 0.00 0.00 0.00 0.00 174.94 176.26