#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s2i n LYS 2 N 0.00 0.60 -3.42 3.17 -0.00 -1.26 -4.93 118.16 112.32 1s2i n LYS 2 Ca 0.00 0.22 -0.34 0.00 -0.00 0.00 0.00 58.31 58.19 1s2i n LYS 2 Cb 0.00 -1.65 -0.06 0.00 -0.00 0.00 0.00 35.03 33.32 1s2i n LYS 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s2i s ALA 3 N -0.17 3.60 0.21 0.58 0.00 -1.26 -5.00 121.76 119.72 1s2i s ALA 3 Ca 0.79 -0.23 -0.03 0.00 0.00 0.00 0.00 51.96 52.49 1s2i s ALA 3 Cb -1.01 -2.44 0.17 0.00 0.00 0.00 0.00 23.12 19.84 1s2i s ALA 3 CO 0.54 0.50 1.57 0.28 0.00 0.00 0.00 175.76 178.64 1s2i h VAL 4 N 2.49 1.30 -4.13 0.00 2.07 -2.04 -3.45 116.25 112.49 1s2i h VAL 4 Ca -0.48 -1.60 -0.12 0.00 0.82 0.00 0.00 66.70 65.32 1s2i h VAL 4 Cb 1.18 1.57 -0.15 0.00 -1.52 0.00 0.00 31.29 32.37 1s2i h VAL 4 CO 0.67 0.51 -0.58 0.68 0.02 0.00 0.00 177.57 178.87 1s2i s VAL 5 N -4.22 0.18 0.39 2.57 -7.23 -1.26 -5.13 120.40 105.70 1s2i s VAL 5 Ca -0.08 -1.64 -0.27 0.00 -1.81 0.00 0.00 61.98 58.18 1s2i s VAL 5 Cb 0.12 -1.54 -0.10 0.00 0.56 0.00 0.00 36.38 35.42 1s2i s VAL 5 CO 0.83 -0.83 1.47 -2.84 -0.31 0.00 0.00 175.10 173.42 1s2i s PRO 6 N -3.92 4.02 0.00 4.82 0.02 -1.26 -4.91 135.00 133.76 1s2i s PRO 6 Ca 0.09 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.63 1s2i s PRO 6 Cb 0.07 -2.90 0.00 0.00 0.02 0.00 0.00 34.50 31.69 1s2i s PRO 6 CO -0.09 -0.59 0.00 0.25 -0.33 0.00 0.00 177.00 176.24 1s2i n THR 7 N 0.31 0.00 -1.87 0.99 -2.24 -1.16 -4.52 114.28 105.79 1s2i n THR 7 Ca 0.02 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 1s2i n THR 7 Cb 0.40 0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 69.36 1s2i n THR 7 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1s2i s GLY 8 N -0.81 1.49 -0.33 3.38 0.00 -0.87 -4.74 107.32 105.45 1s2i s GLY 8 Ca 0.00 1.32 0.04 0.00 0.00 0.00 0.00 44.72 46.07 1s2i s GLY 8 CO 0.00 2.89 0.04 0.54 0.00 0.00 0.00 173.10 176.57 1s2i s LYS 9 N 2.25 1.48 -0.03 2.90 1.02 -1.26 -1.00 119.74 125.10 1s2i s LYS 9 Ca 0.75 -1.79 -0.26 0.00 0.02 0.00 0.00 55.97 54.68 1s2i s LYS 9 Cb -0.43 -3.11 -0.03 0.00 -0.52 0.00 0.00 37.83 33.74 1s2i s LYS 9 CO 0.33 -0.92 0.82 0.42 -0.92 0.00 0.00 175.35 175.08 1s2i s ILE 10 N 0.96 4.96 -0.41 2.17 -1.09 0.12 -0.07 121.20 127.84 1s2i s ILE 10 Ca 0.09 1.71 -0.12 0.00 -2.23 0.00 0.00 60.65 60.10 1s2i s ILE 10 Cb -0.19 -4.16 0.04 0.00 -1.58 0.00 0.00 42.46 36.57 1s2i s ILE 10 CO -0.09 0.22 0.26 -0.47 -1.23 0.00 0.00 174.94 173.64 1s2i s TYR 11 N 0.84 3.26 -0.72 3.97 5.04 -0.54 -0.60 117.35 128.61 1s2i s TYR 11 Ca 0.43 -1.00 -0.20 0.00 -2.44 0.00 0.00 57.07 53.87 1s2i s TYR 11 Cb -0.19 -2.68 0.11 0.00 0.35 0.00 0.00 41.96 39.55 1s2i s TYR 11 CO 0.22 -0.70 0.90 -1.17 -1.34 0.00 0.00 175.55 173.47 1s2i s LEU 12 N 1.57 5.07 0.09 6.97 2.96 -0.01 -1.18 118.68 134.16 1s2i s LEU 12 Ca 0.03 -1.54 -0.19 0.00 -0.22 0.00 0.00 54.13 52.21 1s2i s LEU 12 Cb -0.21 -2.36 -0.07 0.00 0.50 0.00 0.00 46.19 44.06 1s2i s LEU 12 CO 0.06 -1.17 0.59 -0.83 -1.32 0.00 0.00 176.35 173.68 1s2i s GLY 13 N 3.55 2.67 -0.25 7.98 0.00 -0.46 -4.30 107.32 116.52 1s2i s GLY 13 Ca 0.21 0.05 -0.28 0.00 0.00 0.00 0.00 44.72 44.71 1s2i s GLY 13 CO 0.02 0.47 1.18 -0.45 0.00 0.00 0.00 173.10 174.33 1s2i s SER 14 N -1.19 -0.25 0.99 1.64 0.15 -1.26 -2.20 113.70 111.59 1s2i s SER 14 Ca 0.31 0.38 -0.12 0.00 0.70 0.00 0.00 55.95 57.22 1s2i s SER 14 Cb -0.19 0.34 0.19 0.00 -1.71 0.00 0.00 66.02 64.65 1s2i s SER 14 CO 0.20 -0.16 1.08 -2.84 1.20 0.00 0.00 173.24 172.72 1s2i s PRO 15 N -0.51 0.45 0.00 5.44 0.02 -1.26 -4.96 135.00 134.17 1s2i s PRO 15 Ca 0.04 0.94 0.10 0.00 0.02 0.00 0.00 61.00 62.10 1s2i s PRO 15 Cb -0.03 -1.71 0.16 0.00 0.02 0.00 0.00 34.50 32.95 1s2i s PRO 15 CO -0.06 -2.83 1.04 0.34 -0.33 0.00 0.00 177.00 175.16 1s2i n PHE 16 N -4.31 0.00 -0.46 6.54 7.35 -1.26 -4.67 117.46 120.65 1s2i n PHE 16 Ca 0.06 -0.46 0.10 0.00 -0.76 0.00 0.00 57.45 56.39 1s2i n PHE 16 Cb 0.54 0.23 0.31 0.00 0.35 0.00 0.00 39.48 40.92 1s2i n PHE 16 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1s2i n TYR 17 N 0.19 1.10 -3.63 -5.13 4.02 -1.26 -4.85 117.16 107.60 1s2i n TYR 17 Ca -0.13 -0.55 -0.14 0.00 -0.01 0.00 0.00 57.90 57.07 1s2i n TYR 17 Cb 0.86 -0.10 -0.06 0.00 -0.02 0.00 0.00 39.34 40.01 1s2i n TYR 17 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1s2i s SER 18 N -1.00 -0.37 0.19 7.72 1.04 -1.26 -5.03 113.70 115.00 1s2i s SER 18 Ca 0.47 0.15 -0.12 0.00 0.48 0.00 0.00 55.95 56.92 1s2i s SER 18 Cb 0.27 0.45 0.20 0.00 0.10 0.00 0.00 66.02 67.03 1s2i s SER 18 CO 0.27 -0.65 1.73 0.44 0.98 0.00 0.00 173.24 176.01 1s2i h ASP 19 N 3.04 0.09 -0.46 7.02 3.32 -1.98 0.20 116.42 127.65 1s2i h ASP 19 Ca -0.30 0.08 0.04 0.00 0.02 0.00 0.00 57.03 56.87 1s2i h ASP 19 Cb 1.20 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.79 1s2i h ASP 19 CO 0.42 0.07 0.21 0.00 -1.72 0.00 0.00 179.24 178.22 1s2i h ALA 20 N 1.37 0.57 -0.80 3.45 0.00 -1.99 0.30 119.26 122.17 1s2i h ALA 20 Ca 0.25 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1s2i h ALA 20 Cb 0.32 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1s2i h ALA 20 CO -0.30 -0.15 0.32 1.96 0.00 0.00 0.00 179.25 181.08 1s2i h GLN 21 N 0.42 1.19 -0.05 0.00 4.20 -1.71 -2.21 115.11 116.95 1s2i h GLN 21 Ca 0.20 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 1s2i h GLN 21 Cb 0.14 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1s2i h GLN 21 CO -0.16 0.96 -0.34 0.00 -0.67 0.00 0.00 178.83 178.61 1s2i h ARG 22 N 1.16 0.09 -0.07 1.46 3.08 0.53 -2.46 114.38 118.16 1s2i h ARG 22 Ca 0.27 -0.03 -0.19 0.00 0.07 0.00 0.00 59.98 60.10 1s2i h ARG 22 Cb 0.21 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1s2i h ARG 22 CO -0.02 0.43 -0.74 0.93 -1.07 0.00 0.00 179.97 179.49 1s2i h GLU 23 N 0.08 0.40 -0.47 0.04 5.08 0.01 -2.39 114.58 117.34 1s2i h GLU 23 Ca 0.01 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 57.99 1s2i h GLU 23 Cb 0.65 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1s2i h GLU 23 CO 0.05 0.97 0.13 0.00 -1.00 0.00 0.00 179.01 179.16 1s2i h ARG 24 N 0.27 0.74 -0.25 2.33 3.08 -1.18 0.11 114.38 119.48 1s2i h ARG 24 Ca -0.03 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 59.86 1s2i h ARG 24 Cb 1.32 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.25 1s2i h ARG 24 CO 0.13 0.71 0.13 0.00 -1.07 0.00 0.00 179.97 179.87 1s2i h ALA 25 N 0.99 0.30 -0.05 0.04 0.00 -1.38 0.57 119.26 119.73 1s2i h ALA 25 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1s2i h ALA 25 Cb 0.30 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1s2i h ALA 25 CO -0.00 -0.26 -0.14 0.00 0.00 0.00 0.00 179.25 178.84 1s2i h ALA 26 N 1.12 -0.13 -0.50 0.00 0.00 -1.05 -1.41 119.26 117.29 1s2i h ALA 26 Ca 0.10 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1s2i h ALA 26 Cb 0.01 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1s2i h ALA 26 CO -0.06 -0.62 0.28 -0.22 0.00 0.00 0.00 179.25 178.64 1s2i h LYS 27 N -0.21 0.54 -0.56 0.00 1.63 -0.38 -2.71 116.57 114.88 1s2i h LYS 27 Ca 0.07 -0.03 0.07 0.00 -0.85 0.00 0.00 60.65 59.90 1s2i h LYS 27 Cb 0.30 -0.12 -0.06 0.00 -0.60 0.00 0.00 32.23 31.76 1s2i h LYS 27 CO -0.18 0.36 0.25 0.00 -3.45 0.00 0.00 179.45 176.43 1s2i h ALA 28 N 1.24 0.72 -0.78 5.00 0.00 0.71 -1.83 119.26 124.31 1s2i h ALA 28 Ca 0.21 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1s2i h ALA 28 Cb 0.06 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1s2i h ALA 28 CO -0.12 -0.13 0.50 0.87 0.00 0.00 0.00 179.25 180.38 1s2i h LYS 29 N 0.47 0.96 0.17 0.00 1.57 -0.97 -0.63 116.57 118.14 1s2i h LYS 29 Ca 0.26 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1s2i h LYS 29 Cb 0.24 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1s2i h LYS 29 CO -0.22 0.64 -0.20 0.93 -0.57 0.00 0.00 179.45 180.03 1s2i h GLU 30 N 0.99 -0.39 -0.21 3.15 5.08 -1.07 0.72 114.58 122.85 1s2i h GLU 30 Ca 0.31 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.71 1s2i h GLU 30 Cb -0.02 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1s2i h GLU 30 CO -0.10 -0.26 0.10 -0.07 -1.00 0.00 0.00 179.01 177.68 1s2i h LEU 31 N -0.41 0.15 -1.80 1.33 3.38 -1.17 -1.26 115.31 115.53 1s2i h LEU 31 Ca 0.01 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1s2i h LEU 31 Cb 0.40 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1s2i h LEU 31 CO -0.07 0.11 0.26 -0.07 0.09 0.00 0.00 178.44 178.76 1s2i h LEU 32 N 0.22 0.22 -1.46 1.67 3.38 -0.90 0.15 115.31 118.58 1s2i h LEU 32 Ca 0.08 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1s2i h LEU 32 Cb 0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1s2i h LEU 32 CO -0.06 0.14 -0.26 0.00 0.09 0.00 0.00 178.44 178.35 1s2i h ALA 33 N 1.80 1.28 -0.01 1.53 0.00 0.35 -2.38 119.26 121.83 1s2i h ALA 33 Ca 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1s2i h ALA 33 Cb 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1s2i h ALA 33 CO -0.03 0.32 -0.12 1.63 0.00 0.00 0.00 179.25 181.05 1s2i n LYS 34 N -3.81 0.99 -2.99 0.00 5.02 0.49 -4.82 118.16 113.04 1s2i n LYS 34 Ca -0.01 -0.47 -0.42 0.00 -2.02 0.00 0.00 58.31 55.38 1s2i n LYS 34 Cb 0.35 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.82 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 -2.33 6.52 0.37 4.39 3.84 -0.90 -4.88 114.94 121.95 1s2i s ASN 35 Ca 0.31 0.30 0.26 0.00 0.21 0.00 0.00 52.86 53.94 1s2i s ASN 35 Cb 0.20 -2.38 1.34 0.00 -0.55 0.00 0.00 41.25 39.86 1s2i s ASN 35 CO 0.45 -0.71 1.79 -0.65 -2.79 0.00 0.00 177.10 175.19 1s2i h PRO 36 N 8.48 0.00 -0.01 0.43 0.11 -1.88 -2.40 132.00 136.74 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 0.90 0.00 -0.20 -1.13 -0.21 0.00 0.00 178.00 177.35 1s2i n SER 37 N -2.41 0.78 -4.66 -2.05 3.41 -1.26 -4.56 113.62 102.87 1s2i n SER 37 Ca -0.01 -0.73 -0.38 0.00 -0.26 0.00 0.00 58.87 57.49 1s2i n SER 37 Cb 0.08 0.05 -0.08 0.00 -0.26 0.00 0.00 64.21 64.00 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 -2.51 5.19 -0.08 -1.33 1.01 -0.91 -2.04 121.20 120.54 1s2i s ILE 38 Ca 0.26 0.68 0.11 0.00 0.00 0.00 0.00 60.65 61.70 1s2i s ILE 38 Cb 0.19 -3.72 -0.24 0.00 0.01 0.00 0.00 42.46 38.71 1s2i s ILE 38 CO 0.51 0.23 0.54 0.00 0.00 0.00 0.00 174.94 176.22 1s2i n ALA 39 N 4.65 1.44 -3.57 9.38 0.00 -0.17 -4.88 120.51 127.36 1s2i n ALA 39 Ca -0.08 -0.83 -0.13 0.00 0.00 0.00 0.00 53.44 52.39 1s2i n ALA 39 Cb 0.51 -0.73 -0.06 0.00 0.00 0.00 0.00 19.45 19.17 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 -2.58 -0.53 -0.05 0.00 5.65 -1.07 -5.04 115.29 111.68 1s2i s HIS 40 Ca -0.08 1.00 0.02 0.00 0.25 0.00 0.00 55.06 56.25 1s2i s HIS 40 Cb 0.08 0.41 0.01 0.00 -1.18 0.00 0.00 32.58 31.89 1s2i s HIS 40 CO 0.82 -0.43 -0.10 0.08 -0.65 0.00 0.00 174.74 174.45 1s2i s VAL 41 N -0.84 0.94 -0.15 0.89 1.01 -1.26 -0.70 120.40 120.28 1s2i s VAL 41 Ca -0.04 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1s2i s VAL 41 Cb -0.01 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.51 1s2i s VAL 41 CO 0.04 0.30 -0.15 0.12 0.00 0.00 0.00 175.10 175.41 1s2i s PHE 42 N 0.48 2.78 -0.24 5.22 5.36 0.23 -4.98 117.98 126.84 1s2i s PHE 42 Ca -0.09 -0.97 0.01 0.00 -0.96 0.00 0.00 56.93 54.91 1s2i s PHE 42 Cb -0.13 -1.88 0.04 0.00 -0.34 0.00 0.00 43.02 40.71 1s2i s PHE 42 CO 0.02 -0.43 -0.11 0.12 -1.46 0.00 0.00 175.22 173.35 1s2i s PHE 43 N 0.73 3.07 0.57 10.12 5.36 -1.26 -0.83 117.98 135.74 1s2i s PHE 43 Ca -0.07 -1.87 0.31 0.00 -0.96 0.00 0.00 56.93 54.34 1s2i s PHE 43 Cb -0.15 -1.98 1.44 0.00 -0.34 0.00 0.00 43.02 41.99 1s2i s PHE 43 CO 0.01 -0.81 1.83 -1.00 -1.46 0.00 0.00 175.22 173.79 1s2i h PRO 44 N 7.91 0.00 -0.33 10.12 0.13 -1.98 -1.64 132.00 146.21 1s2i h PRO 44 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1s2i h PRO 44 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1s2i h PRO 44 CO 0.55 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.51 1s2i n PHE 45 N -3.89 0.42 0.11 1.56 3.72 -1.26 -4.53 117.46 113.60 1s2i n PHE 45 Ca 0.15 -0.21 -0.11 0.00 -0.05 0.00 0.00 57.45 57.23 1s2i n PHE 45 Cb 0.91 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.38 1s2i n PHE 45 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1s2i h ASP 46 N 3.28 -0.29 0.00 4.37 3.32 -1.73 -3.45 116.42 121.92 1s2i h ASP 46 Ca 0.00 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1s2i h ASP 46 Cb 0.73 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1s2i h ASP 46 CO 0.00 0.19 0.00 0.47 -1.72 0.00 0.00 179.24 178.18 1s2i n ASP 47 N -5.03 0.00 0.00 6.45 8.00 -1.26 -5.14 116.55 119.57 1s2i n ASP 47 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1s2i n ASP 47 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 1s2i n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s2i n GLY 48 N 4.57 4.10 3.90 0.44 0.00 -1.26 -5.09 105.19 111.85 1s2i n GLY 48 Ca 0.00 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.26 1s2i n GLY 48 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1s2i s PHE 49 N -1.79 3.54 -0.14 1.61 5.36 -1.26 -5.08 117.98 120.21 1s2i s PHE 49 Ca 0.00 0.44 0.02 0.00 -0.96 0.00 0.00 56.93 56.42 1s2i s PHE 49 Cb 0.00 -1.89 0.01 0.00 -0.34 0.00 0.00 43.02 40.80 1s2i s PHE 49 CO 0.00 0.59 -0.19 0.99 -1.46 0.00 0.00 175.22 175.15 1s2i s THR 50 N -1.42 1.85 -0.38 0.12 2.01 -1.26 -5.04 115.64 111.52 1s2i s THR 50 Ca 0.32 -0.84 -0.16 0.00 0.31 0.00 0.00 61.69 61.32 1s2i s THR 50 Cb -0.13 -1.66 0.01 0.00 0.01 0.00 0.00 72.50 70.72 1s2i s THR 50 CO 0.21 0.51 0.38 -0.62 -0.69 0.00 0.00 174.62 174.41 1s2i s ASP 51 N 1.02 6.17 0.20 3.53 -1.08 -1.26 -4.96 116.67 120.29 1s2i s ASP 51 Ca -0.03 -0.51 -0.11 0.00 -0.52 0.00 0.00 52.55 51.37 1s2i s ASP 51 Cb -0.15 -2.20 0.17 0.00 -1.46 0.00 0.00 42.92 39.28 1s2i s ASP 51 CO -0.05 -0.45 1.83 -0.65 0.52 0.00 0.00 175.17 176.38 1s2i h PRO 52 N 8.60 0.75 0.00 4.34 0.11 -2.03 0.22 132.00 143.98 1s2i h PRO 52 Ca -0.28 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1s2i h PRO 52 Cb 1.13 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1s2i h PRO 52 CO 0.74 0.50 0.00 -0.25 -0.21 0.00 0.00 178.00 178.77 1s2i n ASP 53 N -4.71 0.00 -4.38 -2.05 8.00 -1.26 -4.45 116.55 107.70 1s2i n ASP 53 Ca 0.06 -0.13 -0.45 0.00 0.71 0.00 0.00 54.79 54.98 1s2i n ASP 53 Cb 0.09 -0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 40.99 1s2i n ASP 53 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1s2i s GLU 54 N -2.29 3.04 -0.04 -1.24 2.12 0.06 -5.04 118.70 115.32 1s2i s GLU 54 Ca 0.15 -1.31 -0.26 0.00 0.36 0.00 0.00 54.97 53.91 1s2i s GLU 54 Cb 0.08 -4.21 -0.03 0.00 0.26 0.00 0.00 34.13 30.23 1s2i s GLU 54 CO 0.16 -1.33 0.82 -1.59 -0.54 0.00 0.00 175.26 172.78 1s2i s LYS 55 N 2.25 4.49 -1.12 4.30 0.00 -1.26 -4.38 119.74 124.01 1s2i s LYS 55 Ca 0.09 1.10 -0.21 0.00 0.00 0.00 0.00 55.97 56.95 1s2i s LYS 55 Cb -0.24 -3.45 -0.00 0.00 0.00 0.00 0.00 37.83 34.13 1s2i s LYS 55 CO 0.07 0.01 0.77 0.27 0.00 0.00 0.00 175.35 176.48 1s2i n ASN 56 N 3.84 -5.25 -4.77 0.03 0.23 -1.26 -4.93 115.26 103.14 1s2i n ASN 56 Ca 0.02 -1.03 -0.41 0.00 -0.53 0.00 0.00 54.58 52.64 1s2i n ASN 56 Cb 0.51 -3.14 -0.02 0.00 -2.08 0.00 0.00 39.78 35.06 1s2i n ASN 56 CO 0.00 0.00 0.00 -2.84 -0.93 0.00 0.00 177.26 173.49 1s2i s PRO 57 N -6.04 4.30 0.08 -0.53 0.02 -1.26 -5.05 135.00 126.52 1s2i s PRO 57 Ca 0.45 2.30 0.05 0.00 0.02 0.00 0.00 61.00 63.82 1s2i s PRO 57 Cb -0.17 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.27 1s2i s PRO 57 CO 0.87 -0.27 -0.15 -1.21 -0.33 0.00 0.00 177.00 175.92 1s2i s GLU 58 N -1.84 0.87 -0.16 5.54 2.02 -1.26 -5.10 118.70 118.76 1s2i s GLU 58 Ca 0.50 -1.01 -0.28 0.00 0.02 0.00 0.00 54.97 54.20 1s2i s GLU 58 Cb -0.41 -0.87 -0.01 0.00 0.10 0.00 0.00 34.13 32.94 1s2i s GLU 58 CO 0.55 0.19 0.93 0.42 0.02 0.00 0.00 175.26 177.37 1s2i s ILE 59 N -1.41 4.81 0.00 -1.63 -1.09 -1.26 -2.60 121.20 118.01 1s2i s ILE 59 Ca 0.00 1.86 0.00 0.00 -2.23 0.00 0.00 60.65 60.28 1s2i s ILE 59 Cb -0.09 -4.23 0.00 0.00 -1.58 0.00 0.00 42.46 36.55 1s2i s ILE 59 CO 0.02 -0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.33 1s2i n GLY 60 N 3.30 1.23 3.98 6.18 0.00 -1.26 -5.02 105.19 113.60 1s2i n GLY 60 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1s2i n GLY 60 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s2i s GLY 61 N -1.77 1.76 0.18 -0.02 0.00 -1.07 -5.02 107.32 101.38 1s2i s GLY 61 Ca 0.00 -1.66 -0.31 0.00 0.00 0.00 0.00 44.72 42.76 1s2i s GLY 61 CO 0.00 -1.08 1.46 -0.42 0.00 0.00 0.00 173.10 173.06 1s2i s ILE 62 N -3.21 2.87 0.22 0.90 -1.09 -1.26 -4.92 121.20 114.71 1s2i s ILE 62 Ca 0.67 0.66 0.11 0.00 -2.23 0.00 0.00 60.65 59.85 1s2i s ILE 62 Cb -0.05 -3.42 -0.05 0.00 -1.58 0.00 0.00 42.46 37.36 1s2i s ILE 62 CO 0.45 0.07 -0.18 -0.13 -1.23 0.00 0.00 174.94 173.92 1s2i s ARG 63 N 0.61 1.74 0.59 2.79 1.81 -1.26 -4.71 118.95 120.52 1s2i s ARG 63 Ca 0.64 -1.54 -0.18 0.00 -1.72 0.00 0.00 55.73 52.93 1s2i s ARG 63 Cb -0.41 -1.91 -0.03 0.00 -0.45 0.00 0.00 34.95 32.15 1s2i s ARG 63 CO 0.35 0.38 1.18 -1.54 -0.68 0.00 0.00 175.30 174.99 1s2i s SER 64 N -3.04 5.28 0.24 0.23 1.04 -1.26 -4.86 113.70 111.33 1s2i s SER 64 Ca 0.25 2.29 -0.06 0.00 0.48 0.00 0.00 55.95 58.91 1s2i s SER 64 Cb -0.07 -2.59 0.23 0.00 0.10 0.00 0.00 66.02 63.69 1s2i s SER 64 CO 0.13 -1.52 1.86 -0.03 0.98 0.00 0.00 173.24 174.66 1s2i h MET 65 N 0.83 1.25 -0.50 4.02 4.05 -1.99 -1.01 114.93 121.58 1s2i h MET 65 Ca -0.50 -0.14 0.02 0.00 -0.28 0.00 0.00 59.70 58.80 1s2i h MET 65 Cb 1.28 -0.25 -0.03 0.00 -0.80 0.00 0.00 31.60 31.80 1s2i h MET 65 CO 0.55 0.91 0.29 0.28 0.23 0.00 0.00 176.91 179.17 1s2i h VAL 66 N 1.26 1.04 -0.59 -5.77 2.07 -2.00 0.14 116.25 112.40 1s2i h VAL 66 Ca 0.32 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.57 1s2i h VAL 66 Cb 0.02 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1s2i h VAL 66 CO -0.05 0.11 0.09 -0.25 0.02 0.00 0.00 177.57 177.48 1s2i h TRP 67 N 0.58 1.05 -0.33 1.57 7.01 -1.83 -1.90 115.95 122.10 1s2i h TRP 67 Ca 0.20 -0.15 0.00 0.00 2.11 0.00 0.00 58.89 61.05 1s2i h TRP 67 Cb 0.03 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 26.79 1s2i h TRP 67 CO -0.07 0.91 0.21 0.00 -2.79 0.00 0.00 178.44 176.70 1s2i h ARG 68 N 0.89 0.44 0.07 2.65 3.08 -0.68 -1.00 114.38 119.83 1s2i h ARG 68 Ca 0.18 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1s2i h ARG 68 Cb 0.43 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1s2i h ARG 68 CO 0.01 0.32 -0.03 -0.44 -1.07 0.00 0.00 179.97 178.76 1s2i h ASP 69 N 0.43 -0.08 -0.94 7.04 3.32 -0.62 -1.95 116.42 123.62 1s2i h ASP 69 Ca 0.12 -0.19 0.06 0.00 0.02 0.00 0.00 57.03 57.04 1s2i h ASP 69 Cb -0.02 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1s2i h ASP 69 CO -0.02 0.14 0.60 0.00 -1.72 0.00 0.00 179.24 178.24 1s2i h ALA 70 N 0.61 1.30 -0.16 3.45 0.00 -1.24 -0.10 119.26 123.12 1s2i h ALA 70 Ca -0.01 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 1s2i h ALA 70 Cb 0.26 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1s2i h ALA 70 CO 0.02 0.38 -0.65 1.15 0.00 0.00 0.00 179.25 180.15 1s2i h THR 71 N 1.10 1.30 -0.36 0.00 2.02 -1.15 -1.40 112.91 114.42 1s2i h THR 71 Ca 0.41 -1.88 -0.02 0.00 0.77 0.00 0.00 66.41 65.69 1s2i h THR 71 Cb 0.16 2.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 1s2i h THR 71 CO -0.17 0.59 0.15 0.22 0.37 0.00 0.00 175.52 176.68 1s2i h TYR 72 N 0.42 0.55 -0.08 3.16 3.20 -1.08 -2.71 116.97 120.43 1s2i h TYR 72 Ca -0.04 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.72 1s2i h TYR 72 Cb 1.28 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 1s2i h TYR 72 CO 0.09 0.50 -0.29 0.37 -1.64 0.00 0.00 178.16 177.19 1s2i h GLN 73 N 0.44 0.15 -0.29 1.82 5.75 -0.99 -1.06 115.11 120.92 1s2i h GLN 73 Ca 0.12 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.50 1s2i h GLN 73 Cb 0.18 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.70 1s2i h GLN 73 CO -0.01 0.43 -0.12 -0.91 -2.65 0.00 0.00 178.83 175.56 1s2i h ASN 74 N 0.13 0.47 -0.14 -0.69 2.35 -1.04 0.43 115.58 117.09 1s2i h ASN 74 Ca 0.02 -0.12 -0.07 0.00 -0.55 0.00 0.00 56.30 55.58 1s2i h ASN 74 Cb 0.58 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 1s2i h ASN 74 CO 0.04 0.63 -0.20 0.44 -1.65 0.00 0.00 177.43 176.70 1s2i h ASP 75 N 0.45 0.41 -0.22 5.81 5.19 -0.98 -0.48 116.42 126.60 1s2i h ASP 75 Ca 0.08 -0.52 -0.03 0.00 -0.62 0.00 0.00 57.03 55.95 1s2i h ASP 75 Cb 0.49 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.86 1s2i h ASP 75 CO 0.03 0.85 0.05 -0.07 -3.12 0.00 0.00 179.24 176.98 1s2i h LEU 76 N -0.01 0.41 -0.68 1.55 3.38 -0.87 -0.28 115.31 118.81 1s2i h LEU 76 Ca 0.02 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1s2i h LEU 76 Cb 0.76 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1s2i h LEU 76 CO 0.05 0.44 0.22 0.74 0.09 0.00 0.00 178.44 179.97 1s2i h THR 77 N 0.44 1.25 -0.58 0.22 2.02 -0.01 0.22 112.91 116.48 1s2i h THR 77 Ca 0.10 -0.87 -0.03 0.00 0.77 0.00 0.00 66.41 66.39 1s2i h THR 77 Cb 0.21 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1s2i h THR 77 CO -0.00 0.34 0.24 1.23 0.37 0.00 0.00 175.52 177.70 1s2i h GLY 78 N 1.00 0.92 1.02 2.16 0.00 0.51 -1.07 103.07 107.61 1s2i h GLY 78 Ca 0.22 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 1s2i h GLY 78 CO -0.01 0.46 0.15 -2.22 0.00 0.00 0.00 176.54 174.92 1s2i h ILE 79 N 0.79 1.25 -0.45 2.60 2.04 -0.71 -0.77 117.51 122.26 1s2i h ILE 79 Ca 0.19 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 1s2i h ILE 79 Cb 0.18 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1s2i h ILE 79 CO -0.02 0.34 0.28 -1.28 0.00 0.00 0.00 178.15 177.47 1s2i h SER 80 N 0.87 0.54 1.70 1.72 0.87 -0.06 -2.67 113.55 116.52 1s2i h SER 80 Ca 0.19 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1s2i h SER 80 Cb 0.35 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1s2i h SER 80 CO 0.00 0.43 0.00 0.78 -0.53 0.00 0.00 176.83 177.51 1s2i h ASN 81 N 0.60 0.00 -4.08 6.23 2.35 -1.14 -3.46 115.58 116.09 1s2i h ASN 81 Ca 0.16 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.43 1s2i h ASN 81 Cb -0.02 0.00 0.05 0.00 0.05 0.00 0.00 38.32 38.40 1s2i h ASN 81 CO -0.03 0.00 0.40 0.00 -1.65 0.00 0.00 177.43 176.15 1s2i s ALA 82 N -3.29 2.79 -0.17 -0.83 0.00 -0.30 -4.86 121.76 115.10 1s2i s ALA 82 Ca 0.06 0.68 0.22 0.00 0.00 0.00 0.00 51.96 52.92 1s2i s ALA 82 Cb 0.07 -3.29 -0.26 0.00 0.00 0.00 0.00 23.12 19.63 1s2i s ALA 82 CO 0.63 -0.52 0.62 0.25 0.00 0.00 0.00 175.76 176.74 1s2i n THR 83 N -1.16 0.10 -3.55 0.00 -2.24 0.90 -4.96 114.28 103.36 1s2i n THR 83 Ca 0.10 -0.45 -0.11 0.00 -2.27 0.00 0.00 64.05 61.32 1s2i n THR 83 Cb 0.52 0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 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 -2.80 1.71 -0.18 0.00 0.00 -0.80 -1.46 107.32 103.79 1s2i s GLY 85 Ca 0.04 -1.10 -0.01 0.00 0.00 0.00 0.00 44.72 43.65 1s2i s GLY 85 CO -0.10 -0.99 -0.04 0.14 0.00 0.00 0.00 173.10 172.12 1s2i s VAL 86 N -1.01 1.07 -0.24 1.40 1.01 -0.32 0.85 120.40 123.16 1s2i s VAL 86 Ca 0.17 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 1s2i s VAL 86 Cb -0.11 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 34.97 1s2i s VAL 86 CO 0.08 0.05 -0.03 -0.36 0.00 0.00 0.00 175.10 174.84 1s2i s PHE 87 N 1.64 3.02 -0.96 5.22 0.08 0.13 -1.35 117.98 125.76 1s2i s PHE 87 Ca -0.00 -1.16 -0.23 0.00 0.12 0.00 0.00 56.93 55.65 1s2i s PHE 87 Cb -0.16 -2.11 0.06 0.00 -0.57 0.00 0.00 43.02 40.24 1s2i s PHE 87 CO -0.07 -0.62 1.38 -0.51 -0.10 0.00 0.00 175.22 175.29 1s2i s LEU 88 N 1.43 3.62 -0.46 -0.37 1.02 -0.93 -0.55 118.68 122.44 1s2i s LEU 88 Ca 0.03 -1.33 -0.17 0.00 0.02 0.00 0.00 54.13 52.68 1s2i s LEU 88 Cb -0.15 -2.55 0.05 0.00 0.02 0.00 0.00 46.19 43.55 1s2i s LEU 88 CO -0.03 -1.52 0.45 -0.47 0.02 0.00 0.00 176.35 174.80 1s2i s TYR 89 N 4.85 3.17 -0.24 0.29 5.04 -0.15 -4.34 117.35 125.98 1s2i s TYR 89 Ca 0.42 -0.61 -0.29 0.00 -2.44 0.00 0.00 57.07 54.15 1s2i s TYR 89 Cb -0.02 -3.09 -0.02 0.00 0.35 0.00 0.00 41.96 39.17 1s2i s TYR 89 CO -0.05 -0.80 1.60 0.34 -1.34 0.00 0.00 175.55 175.30 1s2i s ASP 90 N 2.24 6.36 0.01 4.32 -1.08 -1.26 -1.44 116.67 125.82 1s2i s ASP 90 Ca 0.09 1.54 0.27 0.00 -0.52 0.00 0.00 52.55 53.93 1s2i s ASP 90 Cb -0.20 -2.53 0.96 0.00 -1.46 0.00 0.00 42.92 39.69 1s2i s ASP 90 CO 0.11 -1.29 1.74 0.23 0.52 0.00 0.00 175.17 176.48 1s2i n MET 91 N 7.71 0.02 0.03 4.34 2.81 -0.21 -3.79 117.12 128.02 1s2i n MET 91 Ca 0.19 0.01 -0.21 0.00 -1.81 0.00 0.00 57.70 55.88 1s2i n MET 91 Cb 0.46 -1.52 -0.14 0.00 -0.71 0.00 0.00 33.22 31.31 1s2i n MET 91 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1s2i h ASP 92 N 0.00 0.46 -3.49 7.83 3.45 -1.90 -3.42 116.42 119.35 1s2i h ASP 92 Ca 0.00 -0.90 -0.63 0.00 0.43 0.00 0.00 57.03 55.94 1s2i h ASP 92 Cb 0.51 -0.15 -0.40 0.00 -0.56 0.00 0.00 39.33 38.74 1s2i h ASP 92 CO 0.00 1.79 -0.74 -1.58 -1.57 0.00 0.00 179.24 177.14 1s2i s GLN 93 N -2.57 1.21 0.07 3.56 2.00 -1.25 -5.09 119.66 117.60 1s2i s GLN 93 Ca -0.19 -1.53 -0.31 0.00 -2.00 0.00 0.00 55.36 51.33 1s2i s GLN 93 Cb 0.06 -2.72 -0.08 0.00 0.80 0.00 0.00 33.01 31.08 1s2i s GLN 93 CO 0.80 -0.94 1.55 -0.51 -0.50 0.00 0.00 175.29 175.69 1s2i s LEU 94 N 1.19 4.35 -0.28 3.68 1.43 -1.25 -4.58 118.68 123.24 1s2i s LEU 94 Ca 0.10 2.39 -0.13 0.00 -1.03 0.00 0.00 54.13 55.46 1s2i s LEU 94 Cb -0.18 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.42 1s2i s LEU 94 CO -0.14 -0.81 0.28 -0.62 0.23 0.00 0.00 176.35 175.29 1s2i s ASP 95 N 1.93 6.14 0.38 2.29 2.15 -1.26 -4.96 116.67 123.33 1s2i s ASP 95 Ca 0.70 0.13 0.20 0.00 0.43 0.00 0.00 52.55 54.02 1s2i s ASP 95 Cb -0.38 -2.17 0.42 0.00 -0.30 0.00 0.00 42.92 40.49 1s2i s ASP 95 CO 0.30 -0.12 1.61 -2.24 -0.17 0.00 0.00 175.17 174.56 1s2i h ASP 96 N 8.27 0.00 -0.26 -0.34 2.03 -1.98 -2.04 116.42 122.10 1s2i h ASP 96 Ca -0.33 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.94 1s2i h ASP 96 Cb 1.18 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.67 1s2i h ASP 96 CO 0.60 0.26 0.04 1.23 -1.03 0.00 0.00 179.24 180.34 1s2i h GLY 97 N 3.23 0.46 0.90 7.15 0.00 -1.99 0.16 103.07 112.99 1s2i h GLY 97 Ca -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 1s2i h GLY 97 CO 0.03 0.28 0.08 1.76 0.00 0.00 0.00 176.54 178.70 1s2i h SER 98 N 0.24 0.26 -0.98 0.19 0.02 -1.93 -0.60 113.55 110.74 1s2i h SER 98 Ca 0.08 -0.14 0.05 0.00 -0.84 0.00 0.00 61.79 60.94 1s2i h SER 98 Cb 0.33 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.74 1s2i h SER 98 CO 0.00 0.33 0.64 0.00 -1.14 0.00 0.00 176.83 176.66 1s2i h ALA 99 N 0.94 1.41 -0.49 3.77 0.00 -1.20 0.09 119.26 123.78 1s2i h ALA 99 Ca 0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1s2i h ALA 99 Cb 0.14 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1s2i h ALA 99 CO -0.01 0.47 0.22 0.35 0.00 0.00 0.00 179.25 180.28 1s2i h PHE 100 N 1.18 0.72 0.00 0.00 3.57 -0.21 -2.22 116.94 119.97 1s2i h PHE 100 Ca 0.41 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.79 1s2i h PHE 100 Cb 0.11 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 1s2i h PHE 100 CO -0.00 0.58 -0.38 0.93 -2.23 0.00 0.00 178.31 177.21 1s2i h GLU 101 N 0.65 0.00 -0.33 1.11 5.08 -0.24 -1.30 114.58 119.55 1s2i h GLU 101 Ca 0.17 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1s2i h GLU 101 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1s2i h GLU 101 CO -0.02 0.38 -0.10 0.82 -1.00 0.00 0.00 179.01 179.09 1s2i h ILE 102 N 0.00 1.28 -0.58 3.13 2.04 -0.52 -1.98 117.51 120.88 1s2i h ILE 102 Ca -0.00 -1.16 -0.08 0.00 1.00 0.00 0.00 64.86 64.62 1s2i h ILE 102 Cb 0.71 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1s2i h ILE 102 CO 0.05 0.38 0.05 1.23 0.00 0.00 0.00 178.15 179.86 1s2i h GLY 103 N 0.42 1.06 0.79 5.37 0.00 -1.11 -1.72 103.07 107.89 1s2i h GLY 103 Ca 0.08 -0.74 0.01 0.00 0.00 0.00 0.00 47.33 46.68 1s2i h GLY 103 CO 0.04 0.68 -0.14 -2.75 0.00 0.00 0.00 176.54 174.37 1s2i h PHE 104 N 0.88 -0.37 -0.80 5.60 3.57 -1.17 -0.23 116.94 124.42 1s2i h PHE 104 Ca 0.17 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.72 1s2i h PHE 104 Cb 0.48 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.31 1s2i h PHE 104 CO 0.03 -0.22 0.50 0.52 -2.23 0.00 0.00 178.31 176.92 1s2i h MET 105 N -0.30 0.92 -0.20 1.11 2.86 -1.24 -1.98 114.93 116.10 1s2i h MET 105 Ca 0.01 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.49 1s2i h MET 105 Cb 0.30 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1s2i h MET 105 CO -0.06 0.61 -0.34 0.00 1.06 0.00 0.00 176.91 178.18 1s2i h ARG 106 N 0.94 0.42 0.00 1.72 2.47 -1.09 -1.39 114.38 117.46 1s2i h ARG 106 Ca 0.33 -0.18 -0.01 0.00 -1.26 0.00 0.00 59.98 58.86 1s2i h ARG 106 Cb 0.08 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.39 1s2i h ARG 106 CO -0.14 0.71 -0.06 0.00 0.56 0.00 0.00 179.97 181.04 1s2i h ALA 107 N 1.28 1.32 -0.26 0.04 0.00 -0.28 0.21 119.26 121.57 1s2i h ALA 107 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1s2i h ALA 107 Cb 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1s2i h ALA 107 CO 0.06 0.08 0.00 -1.33 0.00 0.00 0.00 179.25 178.06 1s2i n MET 108 N -3.62 1.95 -1.24 0.00 2.81 -0.73 -4.92 117.12 111.36 1s2i n MET 108 Ca -0.02 -1.44 -0.08 0.00 -1.81 0.00 0.00 57.70 54.35 1s2i n MET 108 Cb 0.17 -1.41 -0.04 0.00 -0.71 0.00 0.00 33.22 31.24 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 0.66 0.00 -2.83 2.03 -0.00 0.73 -4.99 115.22 110.82 1s2i n HIS 109 Ca 0.16 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.50 1s2i n HIS 109 Cb 0.40 -1.95 -0.06 0.00 -0.00 0.00 0.00 29.99 28.38 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 -2.42 4.65 0.53 -0.41 1.02 -0.60 -4.99 119.74 117.51 1s2i s LYS 110 Ca 0.00 1.32 -0.21 0.00 0.02 0.00 0.00 55.97 57.10 1s2i s LYS 110 Cb 0.00 -3.04 -0.06 0.00 -0.52 0.00 0.00 37.83 34.21 1s2i s LYS 110 CO 0.00 0.42 1.19 -1.25 -0.92 0.00 0.00 175.35 174.78 1s2i s PRO 111 N -1.61 3.37 -0.08 -1.68 0.04 -1.26 -4.35 135.00 129.44 1s2i s PRO 111 Ca 0.44 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1s2i s PRO 111 Cb -0.22 -2.15 0.02 0.00 0.04 0.00 0.00 34.50 32.19 1s2i s PRO 111 CO 0.27 -0.87 -0.06 0.08 0.04 0.00 0.00 177.00 176.45 1s2i s VAL 112 N -1.59 0.80 -0.28 -0.36 1.01 -1.26 -1.90 120.40 116.81 1s2i s VAL 112 Ca 0.71 -0.20 -0.13 0.00 0.00 0.00 0.00 61.98 62.36 1s2i s VAL 112 Cb -0.29 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1s2i s VAL 112 CO 0.33 0.31 0.27 -0.63 0.00 0.00 0.00 175.10 175.39 1s2i s ILE 113 N 1.36 5.25 -0.17 2.22 -1.09 0.25 -2.06 121.20 126.96 1s2i s ILE 113 Ca -0.03 0.29 -0.08 0.00 -2.23 0.00 0.00 60.65 58.61 1s2i s ILE 113 Cb -0.14 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 1s2i s ILE 113 CO -0.03 0.18 0.10 -0.22 -1.23 0.00 0.00 174.94 173.73 1s2i s LEU 114 N 1.89 4.06 -0.43 2.97 2.96 0.98 -0.69 118.68 130.43 1s2i s LEU 114 Ca 0.10 0.23 0.02 0.00 -0.22 0.00 0.00 54.13 54.26 1s2i s LEU 114 Cb -0.16 -2.02 0.13 0.00 0.50 0.00 0.00 46.19 44.64 1s2i s LEU 114 CO 0.11 0.25 0.21 -0.69 -1.32 0.00 0.00 176.35 174.91 1s2i s VAL 115 N -0.06 1.57 0.27 1.68 1.01 0.28 -0.81 120.40 124.35 1s2i s VAL 115 Ca 0.08 -2.52 -0.29 0.00 0.00 0.00 0.00 61.98 59.25 1s2i s VAL 115 Cb -0.12 -2.11 -0.09 0.00 0.00 0.00 0.00 36.38 34.06 1s2i s VAL 115 CO 0.00 -0.84 0.98 -2.16 0.00 0.00 0.00 175.10 173.08 1s2i s PRO 116 N 0.44 4.74 -0.01 2.72 0.04 -1.25 -0.98 135.00 140.70 1s2i s PRO 116 Ca 0.16 1.53 0.05 0.00 0.04 0.00 0.00 61.00 62.78 1s2i s PRO 116 Cb -0.24 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.14 1s2i s PRO 116 CO -0.03 0.39 -0.15 -0.06 0.04 0.00 0.00 177.00 177.19 1s2i s PHE 117 N -1.27 1.39 -0.04 0.56 0.08 -0.52 -0.79 117.98 117.40 1s2i s PHE 117 Ca 0.44 -0.28 -0.07 0.00 0.12 0.00 0.00 56.93 57.15 1s2i s PHE 117 Cb -0.26 -0.90 0.01 0.00 -0.57 0.00 0.00 43.02 41.30 1s2i s PHE 117 CO 0.32 -0.03 0.16 0.99 -0.10 0.00 0.00 175.22 176.56 1s2i s THR 118 N -0.32 0.03 -2.41 0.64 2.01 -1.26 -1.05 115.64 113.28 1s2i s THR 118 Ca 0.05 -0.28 0.23 0.00 0.31 0.00 0.00 61.69 62.00 1s2i s THR 118 Cb -0.06 -0.32 0.45 0.00 0.01 0.00 0.00 72.50 72.57 1s2i s THR 118 CO -0.00 -0.15 1.54 -1.84 -0.69 0.00 0.00 174.62 173.48 1s2i n GLU 119 N 2.37 1.89 -3.23 4.92 0.00 -1.26 -4.31 120.64 121.01 1s2i n GLU 119 Ca -0.17 -1.32 -0.24 0.00 0.00 0.00 0.00 57.16 55.43 1s2i n GLU 119 Cb 0.57 -1.44 -0.06 0.00 0.00 0.00 0.00 31.44 30.52 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 0.56 1.74 0.03 -1.84 8.25 -1.26 -4.93 115.22 117.77 1s2i n HIS 120 Ca 0.17 -3.87 0.02 0.00 -0.26 0.00 0.00 57.72 53.78 1s2i n HIS 120 Cb 0.40 -0.45 0.09 0.00 1.12 0.00 0.00 29.99 31.15 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 0.77 0.02 0.00 -0.41 -0.02 -1.26 -1.02 135.00 133.08 1s2i n PRO 121 Ca 0.26 0.42 0.09 0.00 -2.02 0.00 0.00 63.50 62.26 1s2i n PRO 121 Cb 0.49 -1.70 -0.09 0.00 -0.02 0.00 0.00 33.50 32.18 1s2i n PRO 121 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1s2i n GLU 122 N -1.53 0.87 -1.79 -0.52 0.00 -1.26 -4.98 120.64 111.43 1s2i n GLU 122 Ca -0.00 -0.15 -0.29 0.00 0.00 0.00 0.00 57.16 56.71 1s2i n GLU 122 Cb 0.14 -1.39 0.10 0.00 0.00 0.00 0.00 31.44 30.28 1s2i n GLU 122 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1s2i s LYS 123 N -2.69 1.88 0.45 3.44 1.02 -0.19 -4.98 119.74 118.67 1s2i s LYS 123 Ca 0.09 0.23 -0.23 0.00 0.02 0.00 0.00 55.97 56.07 1s2i s LYS 123 Cb 0.15 -1.93 -0.10 0.00 -0.52 0.00 0.00 37.83 35.43 1s2i s LYS 123 CO 0.73 -1.67 0.93 -0.85 -0.92 0.00 0.00 175.35 173.57 1s2i n GLU 124 N -3.39 1.16 -3.44 1.68 0.28 -1.26 -4.95 120.64 110.71 1s2i n GLU 124 Ca 0.07 0.42 -0.43 0.00 -0.16 0.00 0.00 57.16 57.06 1s2i n GLU 124 Cb 0.60 -1.99 -0.07 0.00 1.43 0.00 0.00 31.44 31.41 1s2i n GLU 124 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1s2i s LYS 125 N -2.07 2.77 0.06 3.44 1.02 -1.26 -5.05 119.74 118.64 1s2i s LYS 125 Ca 0.65 -1.63 0.04 0.00 0.02 0.00 0.00 55.97 55.06 1s2i s LYS 125 Cb -0.54 -4.07 -0.03 0.00 -0.52 0.00 0.00 37.83 32.67 1s2i s LYS 125 CO 0.55 -1.18 -0.12 -1.59 -0.92 0.00 0.00 175.35 172.09 1s2i s LYS 126 N 1.51 0.76 -0.01 1.68 -2.85 -1.26 0.59 119.74 120.15 1s2i s LYS 126 Ca 0.04 -0.85 -0.12 0.00 -1.00 0.00 0.00 55.97 54.04 1s2i s LYS 126 Cb -0.27 -0.71 0.02 0.00 -2.06 0.00 0.00 37.83 34.81 1s2i s LYS 126 CO 0.02 0.16 0.25 1.41 0.10 0.00 0.00 175.35 177.30 1s2i s MET 127 N -1.54 0.60 0.33 1.78 1.75 0.15 -4.82 119.30 117.55 1s2i s MET 127 Ca -0.03 -0.24 -0.29 0.00 -1.25 0.00 0.00 55.69 53.89 1s2i s MET 127 Cb -0.09 0.26 -0.10 0.00 2.84 0.00 0.00 34.83 37.74 1s2i s MET 127 CO 0.02 -0.16 1.30 1.21 -0.65 0.00 0.00 175.02 176.74 1s2i s ASN 128 N -1.30 6.76 0.21 1.11 2.47 -1.26 -2.68 114.94 120.26 1s2i s ASN 128 Ca -0.13 2.67 -0.09 0.00 0.42 0.00 0.00 52.86 55.73 1s2i s ASN 128 Cb -0.06 -2.65 0.29 0.00 -1.45 0.00 0.00 41.25 37.38 1s2i s ASN 128 CO 0.03 -0.54 1.76 0.25 -3.72 0.00 0.00 177.10 174.89 1s2i h LEU 129 N 3.34 0.35 -0.82 3.21 5.85 -1.87 0.18 115.31 125.55 1s2i h LEU 129 Ca -0.49 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.30 1s2i h LEU 129 Cb 1.23 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 1s2i h LEU 129 CO 0.65 0.21 0.54 0.24 -0.34 0.00 0.00 178.44 179.74 1s2i h MET 130 N 0.51 1.08 -0.11 1.25 2.86 -1.91 0.31 114.93 118.91 1s2i h MET 130 Ca 0.32 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.83 1s2i h MET 130 Cb 0.35 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 1s2i h MET 130 CO -0.27 0.71 -0.18 0.82 1.06 0.00 0.00 176.91 179.05 1s2i h ILE 131 N 1.11 1.38 -0.06 -1.22 1.08 -1.82 0.16 117.51 118.13 1s2i h ILE 131 Ca 0.30 -1.42 0.02 0.00 -0.39 0.00 0.00 64.86 63.37 1s2i h ILE 131 Cb -0.12 2.05 -0.00 0.00 -3.07 0.00 0.00 36.82 35.67 1s2i h ILE 131 CO -0.07 0.41 0.04 0.00 -0.69 0.00 0.00 178.15 177.85 1s2i h ALA 132 N 0.54 2.03 0.00 1.87 0.00 -0.18 -2.29 119.26 121.23 1s2i h ALA 132 Ca 0.01 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1s2i h ALA 132 Cb 0.74 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1s2i h ALA 132 CO 0.04 -0.07 -1.95 0.94 0.00 0.00 0.00 179.25 178.21 1s2i n GLN 133 N -4.49 0.89 0.05 0.00 -0.06 0.11 -4.40 117.38 109.47 1s2i n GLN 133 Ca -0.02 -0.09 -0.10 0.00 -2.00 0.00 0.00 57.00 54.79 1s2i n GLN 133 Cb 0.15 -1.42 0.02 0.00 -4.06 0.00 0.00 30.24 24.92 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 3.23 0.47 -2.84 1.69 0.00 -0.42 -3.45 103.07 101.77 1s2i h GLY 134 Ca -0.20 -0.68 -0.48 0.00 0.00 0.00 0.00 47.33 45.97 1s2i h GLY 134 CO 0.01 0.60 0.41 -1.34 0.00 0.00 0.00 176.54 176.22 1s2i s VAL 135 N -3.60 3.77 -0.08 4.60 -7.23 -0.89 -4.84 120.40 112.14 1s2i s VAL 135 Ca -0.06 1.39 0.21 0.00 -1.81 0.00 0.00 61.98 61.71 1s2i s VAL 135 Cb 0.10 -3.73 -0.27 0.00 0.56 0.00 0.00 36.38 33.04 1s2i s VAL 135 CO 0.85 0.03 0.53 0.35 -0.31 0.00 0.00 175.10 176.55 1s2i n THR 136 N 0.06 0.29 -3.72 5.32 -2.24 -0.88 -4.74 114.28 108.38 1s2i n THR 136 Ca 0.04 -0.55 -0.13 0.00 -2.27 0.00 0.00 64.05 61.14 1s2i n THR 136 Cb 0.49 -0.13 -0.14 0.00 -2.10 0.00 0.00 70.33 68.45 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 -3.36 -0.10 -0.09 4.28 2.01 -0.95 -0.60 115.64 116.83 1s2i s THR 137 Ca -0.07 0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.13 1s2i s THR 137 Cb 0.12 -0.33 -0.03 0.00 0.01 0.00 0.00 72.50 72.28 1s2i s THR 137 CO 0.88 0.08 -0.10 -0.51 -0.69 0.00 0.00 174.62 174.28 1s2i s ILE 138 N 1.44 3.40 -0.20 1.82 2.07 -0.79 -0.01 121.20 128.93 1s2i s ILE 138 Ca -0.07 -0.58 -0.03 0.00 -1.41 0.00 0.00 60.65 58.57 1s2i s ILE 138 Cb -0.11 -2.39 0.06 0.00 0.13 0.00 0.00 42.46 40.14 1s2i s ILE 138 CO -0.07 0.57 0.03 -0.63 -1.91 0.00 0.00 174.94 172.92 1s2i s ILE 139 N -0.39 0.60 0.21 2.00 1.01 0.01 -4.94 121.20 119.69 1s2i s ILE 139 Ca 0.05 -0.60 -0.32 0.00 0.00 0.00 0.00 60.65 59.79 1s2i s ILE 139 Cb -0.12 -1.08 -0.11 0.00 0.01 0.00 0.00 42.46 41.15 1s2i s ILE 139 CO 0.02 -0.19 1.67 -0.62 0.00 0.00 0.00 174.94 175.82 1s2i s ASP 140 N 1.82 6.43 0.17 3.58 -1.08 -1.26 -3.78 116.67 122.55 1s2i s ASP 140 Ca -0.01 2.82 0.05 0.00 -0.52 0.00 0.00 52.55 54.89 1s2i s ASP 140 Cb -0.17 -2.60 0.01 0.00 -1.46 0.00 0.00 42.92 38.70 1s2i s ASP 140 CO -0.08 -0.93 1.40 1.23 0.52 0.00 0.00 175.17 177.31 1s2i h GLY 141 N 6.55 0.12 1.54 2.66 0.00 -1.22 -0.63 103.07 112.09 1s2i h GLY 141 Ca -0.43 -0.22 -0.13 0.00 0.00 0.00 0.00 47.33 46.55 1s2i h GLY 141 CO 0.93 0.19 -0.41 3.43 0.00 0.00 0.00 176.54 180.68 1s2i h ASN 142 N 0.06 0.54 0.00 0.19 2.35 -1.90 -3.22 115.58 113.60 1s2i h ASN 142 Ca -0.03 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1s2i h ASN 142 Cb 1.49 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.71 1s2i h ASN 142 CO 0.12 0.89 0.00 0.35 -1.65 0.00 0.00 177.43 177.14 1s2i n THR 143 N -4.03 0.00 -1.69 2.81 -2.24 -1.24 -4.79 114.28 103.10 1s2i n THR 143 Ca -0.02 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1s2i n THR 143 Cb 0.51 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 1s2i n THR 143 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1s2i n GLU 144 N -0.36 0.00 -0.33 -0.78 1.02 -0.28 -4.88 120.64 115.03 1s2i n GLU 144 Ca 0.00 -0.75 0.19 0.00 -0.02 0.00 0.00 57.16 56.59 1s2i n GLU 144 Cb 0.01 -0.45 0.37 0.00 -0.02 0.00 0.00 31.44 31.36 1s2i n GLU 144 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1s2i n PHE 145 N 0.00 0.78 0.33 -0.32 -0.00 -0.98 -1.00 117.46 116.27 1s2i n PHE 145 Ca 0.00 1.17 0.21 0.00 -0.00 0.00 0.00 57.45 58.83 1s2i n PHE 145 Cb 0.62 -1.33 1.14 0.00 -0.00 0.00 0.00 39.48 39.91 1s2i n PHE 145 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1s2i h GLU 146 N 0.00 0.00 0.00 -4.13 5.08 -1.89 -2.76 114.58 110.88 1s2i h GLU 146 Ca 0.66 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.02 1s2i h GLU 146 Cb 1.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.76 1s2i h GLU 146 CO -0.87 0.00 0.00 0.36 -1.00 0.00 0.00 179.01 177.50 1s2i n LYS 147 N -3.10 0.20 -0.11 2.33 2.85 -0.17 -1.90 118.16 118.26 1s2i n LYS 147 Ca -0.03 0.14 0.02 0.00 -1.05 0.00 0.00 58.31 57.39 1s2i n LYS 147 Cb 0.12 -1.50 0.34 0.00 -0.65 0.00 0.00 35.03 33.34 1s2i n LYS 147 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1s2i h LEU 148 N 0.00 0.66 -2.12 -5.58 3.38 -1.70 0.65 115.31 110.61 1s2i h LEU 148 Ca 0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1s2i h LEU 148 Cb 0.19 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1s2i h LEU 148 CO 0.00 0.48 -0.08 0.00 0.09 0.00 0.00 178.44 178.93 1s2i h ALA 149 N 1.64 1.34 0.00 1.53 0.00 -1.51 -3.29 119.26 118.97 1s2i h ALA 149 Ca 0.21 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1s2i h ALA 149 Cb -0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1s2i h ALA 149 CO -0.05 0.10 -1.36 -0.25 0.00 0.00 0.00 179.25 177.69 1s2i n ASP 150 N -3.67 3.40 -4.52 0.00 8.00 0.10 -3.37 116.55 116.48 1s2i n ASP 150 Ca -0.02 0.00 -0.46 0.00 0.71 0.00 0.00 54.79 55.01 1s2i n ASP 150 Cb 0.19 1.09 -0.02 0.00 -0.02 0.00 0.00 41.12 42.35 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 -1.92 0.68 -2.78 1.24 9.36 0.20 -4.85 117.16 119.09 1s2i n TYR 151 Ca -0.05 0.80 -0.43 0.00 3.32 0.00 0.00 57.90 61.54 1s2i n TYR 151 Cb 0.37 -2.15 -0.02 0.00 -0.63 0.00 0.00 39.34 36.91 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 -0.63 6.70 0.00 2.98 3.84 -1.26 -4.78 114.94 121.79 1s2i s ASN 152 Ca 0.63 -2.10 0.11 0.00 0.21 0.00 0.00 52.86 51.71 1s2i s ASN 152 Cb -0.81 -2.47 0.68 0.00 -0.55 0.00 0.00 41.25 38.10 1s2i s ASN 152 CO 0.58 -1.14 1.12 0.49 -2.79 0.00 0.00 177.10 175.35 1s2i n PHE 153 N 7.27 0.00 0.17 0.43 3.72 -1.26 -0.83 117.46 126.95 1s2i n PHE 153 Ca 0.32 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.78 1s2i n PHE 153 Cb 0.48 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.10 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 -3.35 115.58 117.07 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 0.33 -0.11 -0.62 -1.65 0.00 0.00 177.43 175.38 1s2i n GLU 155 N -3.19 3.12 -3.77 0.81 1.02 -0.66 -4.92 120.64 113.05 1s2i n GLU 155 Ca 0.03 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.91 1s2i n GLU 155 Cb 0.66 -0.34 0.00 0.00 -0.02 0.00 0.00 31.44 31.75 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 -2.91 2.36 -1.85 0.00 -0.02 -1.26 -4.95 135.00 126.36 1s2i n PRO 157 Ca -0.27 0.85 -0.35 0.00 -2.02 0.00 0.00 63.50 61.71 1s2i n PRO 157 Cb 0.66 -2.61 0.05 0.00 -0.02 0.00 0.00 33.50 31.58 1s2i n PRO 157 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1s2i s SER 158 N 0.73 5.02 -0.49 2.55 0.01 -1.26 -4.80 113.70 115.45 1s2i s SER 158 Ca 0.73 2.26 0.06 0.00 1.31 0.00 0.00 55.95 60.30 1s2i s SER 158 Cb -0.60 -2.58 0.19 0.00 0.21 0.00 0.00 66.02 63.24 1s2i s SER 158 CO 0.42 -1.70 0.74 0.21 0.41 0.00 0.00 173.24 173.32 1s2i s ASN 159 N -1.95 -1.37 0.26 2.44 2.47 0.23 -4.96 114.94 112.05 1s2i s ASN 159 Ca 0.74 -1.48 -0.28 0.00 0.42 0.00 0.00 52.86 52.26 1s2i s ASN 159 Cb -0.27 1.79 -0.15 0.00 -1.45 0.00 0.00 41.25 41.17 1s2i s ASN 159 CO 0.37 -0.07 0.78 -2.65 -3.72 0.00 0.00 177.10 171.81 1s2i n PRO 160 N 3.15 0.76 -2.07 0.43 -0.02 -1.25 -1.88 135.00 134.11 1s2i n PRO 160 Ca 0.16 0.27 -0.42 0.00 -2.02 0.00 0.00 63.50 61.49 1s2i n PRO 160 Cb 0.57 -1.48 -0.03 0.00 -0.02 0.00 0.00 33.50 32.54 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 -1.06 2.95 0.03 -1.45 1.01 -1.26 -4.81 120.40 115.81 1s2i s VAL 161 Ca 0.61 0.72 -0.13 0.00 0.00 0.00 0.00 61.98 63.18 1s2i s VAL 161 Cb -0.79 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.15 1s2i s VAL 161 CO 0.58 0.07 0.28 -0.13 0.00 0.00 0.00 175.10 175.91 1s2i s ARG 162 N 0.69 0.76 0.00 2.72 0.52 -1.26 -4.91 118.95 117.47 1s2i s ARG 162 Ca 0.64 -0.47 0.00 0.00 -0.52 0.00 0.00 55.73 55.38 1s2i s ARG 162 Cb -0.40 0.33 0.00 0.00 0.52 0.00 0.00 34.95 35.40 1s2i s ARG 162 CO 0.34 -0.23 0.00 0.41 0.02 0.00 0.00 175.30 175.84 1s2i n GLY 163 N 0.74 0.76 3.29 -3.53 0.00 -1.26 -5.06 105.19 100.13 1s2i n GLY 163 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.29 2.55 0.44 1.61 2.02 -1.26 -4.83 117.35 115.58 1s2i s TYR 164 Ca 0.00 -0.74 -0.24 0.00 -0.37 0.00 0.00 57.07 55.72 1s2i s TYR 164 Cb 0.00 -1.66 -0.08 0.00 -0.40 0.00 0.00 41.96 39.82 1s2i s TYR 164 CO 0.00 -0.23 1.27 0.20 -1.57 0.00 0.00 175.55 175.22 1s2i s GLY 165 N -0.02 2.88 -0.15 0.71 0.00 0.20 -4.74 107.32 106.19 1s2i s GLY 165 Ca -0.07 1.15 -0.04 0.00 0.00 0.00 0.00 44.72 45.76 1s2i s GLY 165 CO 0.05 1.69 -0.01 -0.42 0.00 0.00 0.00 173.10 174.41 1s2i s ILE 166 N -1.35 4.19 0.00 0.90 -1.09 -1.26 0.32 121.20 122.91 1s2i s ILE 166 Ca 0.61 -0.26 0.00 0.00 -2.23 0.00 0.00 60.65 58.77 1s2i s ILE 166 Cb -0.35 -2.84 0.00 0.00 -1.58 0.00 0.00 42.46 37.68 1s2i s ILE 166 CO 0.44 0.50 0.12 0.00 -1.23 0.00 0.00 174.94 174.77