#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rs2 n GLN 2 N 0.00 2.58 -2.62 2.12 6.02 -1.26 -5.01 117.38 119.21 1rs2 n GLN 2 Ca 0.00 -2.71 -0.33 0.00 -0.01 0.00 0.00 57.00 53.94 1rs2 n GLN 2 Cb 0.00 -1.72 -0.05 0.00 1.02 0.00 0.00 30.24 29.49 1rs2 n GLN 2 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1rs2 s ASP 3 N -2.06 6.62 0.20 1.08 1.11 -1.26 -5.06 116.67 117.30 1rs2 s ASP 3 Ca 0.38 1.76 -0.10 0.00 0.18 0.00 0.00 52.55 54.76 1rs2 s ASP 3 Cb 0.31 -2.54 -0.01 0.00 1.07 0.00 0.00 42.92 41.75 1rs2 s ASP 3 CO 0.08 -0.58 0.36 0.42 1.18 0.00 0.00 175.17 176.63 1rs2 s THR 4 N -2.20 0.03 -0.00 -1.27 -4.23 -1.26 -3.47 115.64 103.24 1rs2 s THR 4 Ca 0.63 -1.41 0.05 0.00 -1.18 0.00 0.00 61.69 59.78 1rs2 s THR 4 Cb -0.12 -2.03 -0.01 0.00 1.34 0.00 0.00 72.50 71.68 1rs2 s THR 4 CO 0.20 -0.13 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.37 1rs2 s ILE 5 N -4.00 1.13 0.04 2.99 1.01 -0.68 -4.90 121.20 116.78 1rs2 s ILE 5 Ca 0.21 -0.69 -0.02 0.00 0.00 0.00 0.00 60.65 60.15 1rs2 s ILE 5 Cb 0.02 -0.96 -0.03 0.00 0.01 0.00 0.00 42.46 41.51 1rs2 s ILE 5 CO 0.05 0.26 0.00 0.72 0.00 0.00 0.00 174.94 175.97 1rs2 s PHE 6 N -0.43 0.34 -0.24 3.97 -0.12 -1.26 -1.17 117.98 119.07 1rs2 s PHE 6 Ca 0.05 -0.73 -0.03 0.00 -0.05 0.00 0.00 56.93 56.17 1rs2 s PHE 6 Cb -0.06 -0.25 0.08 0.00 -0.63 0.00 0.00 43.02 42.16 1rs2 s PHE 6 CO -0.00 -0.31 0.09 -0.51 -0.05 0.00 0.00 175.22 174.44 1rs2 s LEU 7 N -2.19 0.94 -0.04 -1.99 1.02 -0.62 -5.02 118.68 110.79 1rs2 s LEU 7 Ca -0.04 -1.04 0.00 0.00 0.02 0.00 0.00 54.13 53.07 1rs2 s LEU 7 Cb -0.01 -0.47 -0.03 0.00 0.02 0.00 0.00 46.19 45.69 1rs2 s LEU 7 CO -0.05 -0.38 0.01 -0.54 0.02 0.00 0.00 176.35 175.41 1rs2 s LYS 8 N 1.96 2.88 -1.36 1.70 1.02 -1.26 -1.11 119.74 123.57 1rs2 s LYS 8 Ca 0.05 -0.52 0.00 0.00 0.02 0.00 0.00 55.97 55.51 1rs2 s LYS 8 Cb -0.16 -2.73 0.00 0.00 -0.52 0.00 0.00 37.83 34.42 1rs2 s LYS 8 CO -0.20 0.66 0.00 0.41 -0.92 0.00 0.00 175.35 175.30 1rs2 n GLY 9 N 1.69 1.29 3.77 -3.33 0.00 -1.17 -4.97 105.19 102.46 1rs2 n GLY 9 Ca -0.16 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 1rs2 n GLY 9 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rs2 s MET 10 N -3.19 3.75 -0.02 1.61 -1.94 -0.35 -4.69 119.30 114.48 1rs2 s MET 10 Ca 0.00 2.40 0.01 0.00 -1.71 0.00 0.00 55.69 56.40 1rs2 s MET 10 Cb 0.00 -2.69 0.01 0.00 2.01 0.00 0.00 34.83 34.15 1rs2 s MET 10 CO 0.00 -0.76 -0.05 1.03 -0.01 0.00 0.00 175.02 175.24 1rs2 s ARG 11 N -2.40 0.53 0.05 2.03 0.52 -1.26 0.15 118.95 118.58 1rs2 s ARG 11 Ca 0.60 -0.14 0.03 0.00 -0.52 0.00 0.00 55.73 55.70 1rs2 s ARG 11 Cb -0.43 -0.54 -0.03 0.00 0.52 0.00 0.00 34.95 34.47 1rs2 s ARG 11 CO 0.56 0.04 -0.09 -0.06 0.02 0.00 0.00 175.30 175.77 1rs2 s PHE 12 N 0.28 0.83 -0.41 -0.53 0.08 1.00 -4.93 117.98 114.30 1rs2 s PHE 12 Ca -0.03 -0.52 -0.13 0.00 0.12 0.00 0.00 56.93 56.38 1rs2 s PHE 12 Cb -0.07 -0.48 0.04 0.00 -0.57 0.00 0.00 43.02 41.94 1rs2 s PHE 12 CO -0.00 -0.05 0.27 -0.47 -0.10 0.00 0.00 175.22 174.87 1rs2 s TYR 13 N -1.50 3.25 0.30 0.36 6.14 -1.26 0.71 117.35 125.35 1rs2 s TYR 13 Ca -0.06 -0.90 0.04 0.00 0.64 0.00 0.00 57.07 56.78 1rs2 s TYR 13 Cb -0.09 -2.66 -0.06 0.00 0.42 0.00 0.00 41.96 39.57 1rs2 s TYR 13 CO 0.01 -0.68 0.05 0.20 0.64 0.00 0.00 175.55 175.77 1rs2 s GLY 14 N 1.82 1.94 -0.37 8.97 0.00 -0.80 -4.83 107.32 114.05 1rs2 s GLY 14 Ca 0.03 -1.98 0.06 0.00 0.00 0.00 0.00 44.72 42.83 1rs2 s GLY 14 CO 0.07 -1.77 1.55 -1.72 0.00 0.00 0.00 173.10 171.24 1rs2 n TYR 15 N -0.61 2.00 -2.62 1.90 4.02 -1.26 -1.87 117.16 118.72 1rs2 n TYR 15 Ca -0.03 -2.02 -0.33 0.00 -0.01 0.00 0.00 57.90 55.52 1rs2 n TYR 15 Cb 0.66 -0.67 -0.05 0.00 -0.02 0.00 0.00 39.34 39.25 1rs2 n TYR 15 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1rs2 s HIS 16 N -3.43 3.29 0.00 -0.72 3.76 -1.26 -3.78 115.29 113.14 1rs2 s HIS 16 Ca 0.51 1.56 0.00 0.00 -0.15 0.00 0.00 55.06 56.98 1rs2 s HIS 16 Cb 0.43 -2.87 0.00 0.00 1.11 0.00 0.00 32.58 31.25 1rs2 s HIS 16 CO 0.01 -0.33 0.00 0.41 -0.85 0.00 0.00 174.74 173.98 1rs2 n GLY 17 N -0.89 4.06 0.17 -2.22 0.00 -0.20 -4.55 105.19 101.55 1rs2 n GLY 17 Ca 0.07 -0.66 0.05 0.00 0.00 0.00 0.00 46.02 45.48 1rs2 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rs2 h ALA 18 N 0.00 0.84 -2.73 4.61 0.00 -1.81 -3.42 119.26 116.76 1rs2 h ALA 18 Ca 0.00 -0.38 -0.57 0.00 0.00 0.00 0.00 54.91 53.96 1rs2 h ALA 18 Cb 0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 1rs2 h ALA 18 CO 0.00 0.52 0.05 -1.17 0.00 0.00 0.00 179.25 178.65 1rs2 s LEU 19 N -6.74 4.29 0.29 0.00 2.96 -1.26 -4.96 118.68 113.26 1rs2 s LEU 19 Ca 0.02 1.08 0.04 0.00 -0.22 0.00 0.00 54.13 55.05 1rs2 s LEU 19 Cb 0.09 -2.98 0.72 0.00 0.50 0.00 0.00 46.19 44.52 1rs2 s LEU 19 CO 0.71 -0.11 1.73 0.28 -1.32 0.00 0.00 176.35 177.64 1rs2 h SER 20 N 6.82 0.54 0.17 3.68 0.02 -2.01 0.25 113.55 123.02 1rs2 h SER 20 Ca -0.40 0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.65 1rs2 h SER 20 Cb 1.19 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.77 1rs2 h SER 20 CO 0.76 0.12 -0.14 0.00 -1.14 0.00 0.00 176.83 176.42 1rs2 h ALA 21 N 1.67 1.69 0.02 3.77 0.00 -1.96 -1.98 119.26 122.48 1rs2 h ALA 21 Ca 0.56 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 1rs2 h ALA 21 Cb 0.98 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1rs2 h ALA 21 CO -0.45 0.18 -0.01 0.93 0.00 0.00 0.00 179.25 179.90 1rs2 h GLU 22 N 0.00 -0.02 0.00 0.00 5.08 -0.85 -1.93 114.58 116.86 1rs2 h GLU 22 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1rs2 h GLU 22 Cb 0.27 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1rs2 h GLU 22 CO 0.02 0.27 -0.13 -0.91 -1.00 0.00 0.00 179.01 177.26 1rs2 h ASN 23 N -0.32 0.00 0.33 1.42 2.35 -1.22 0.34 115.58 118.47 1rs2 h ASN 23 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1rs2 h ASN 23 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1rs2 h ASN 23 CO 0.00 0.13 -0.16 -0.08 -1.65 0.00 0.00 177.43 175.68 1rs2 h GLU 24 N 0.00 -0.42 0.10 0.81 4.81 -1.14 -3.40 114.58 115.33 1rs2 h GLU 24 Ca -0.00 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1rs2 h GLU 24 Cb 0.33 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1rs2 h GLU 24 CO 0.02 -0.28 -0.05 0.82 -0.73 0.00 0.00 179.01 178.79 1rs2 h ILE 25 N -0.81 1.13 0.00 2.32 2.04 -1.34 -3.51 117.51 117.34 1rs2 h ILE 25 Ca -0.04 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.61 1rs2 h ILE 25 Cb 0.34 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 1rs2 h ILE 25 CO 0.07 0.28 0.00 0.61 0.00 0.00 0.00 178.15 179.11 1rs2 n GLY 26 N 0.48 0.02 3.86 5.37 0.00 0.10 -4.99 105.19 110.03 1rs2 n GLY 26 Ca -0.08 -1.84 -0.06 0.00 0.00 0.00 0.00 46.02 44.04 1rs2 n GLY 26 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1rs2 s GLN 27 N -1.71 1.72 -0.14 1.61 -2.07 -0.78 -5.01 119.66 113.29 1rs2 s GLN 27 Ca 0.00 -1.12 -0.11 0.00 -1.82 0.00 0.00 55.36 52.30 1rs2 s GLN 27 Cb 0.00 0.47 -0.05 0.00 -1.09 0.00 0.00 33.01 32.35 1rs2 s GLN 27 CO 0.00 -0.81 0.24 0.42 -1.32 0.00 0.00 175.29 173.82 1rs2 s ILE 28 N -2.11 5.34 -0.13 3.63 -1.09 -1.26 -1.90 121.20 123.68 1rs2 s ILE 28 Ca 0.20 0.43 -0.00 0.00 -2.23 0.00 0.00 60.65 59.05 1rs2 s ILE 28 Cb -0.04 -3.55 -0.02 0.00 -1.58 0.00 0.00 42.46 37.27 1rs2 s ILE 28 CO 0.08 0.48 -0.12 -0.36 -1.23 0.00 0.00 174.94 173.79 1rs2 s PHE 29 N -0.15 2.82 -0.19 3.97 0.40 0.22 -4.47 117.98 120.58 1rs2 s PHE 29 Ca 0.15 -0.62 -0.09 0.00 -0.60 0.00 0.00 56.93 55.77 1rs2 s PHE 29 Cb -0.13 -1.85 -0.05 0.00 0.51 0.00 0.00 43.02 41.50 1rs2 s PHE 29 CO 0.04 -0.20 0.13 0.21 0.70 0.00 0.00 175.22 176.10 1rs2 s LYS 30 N 0.34 4.08 -0.04 0.44 2.20 -0.77 -0.00 119.74 125.99 1rs2 s LYS 30 Ca -0.10 -0.22 0.04 0.00 -0.36 0.00 0.00 55.97 55.32 1rs2 s LYS 30 Cb -0.16 -3.38 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 1rs2 s LYS 30 CO 0.06 0.36 -0.15 0.08 -0.36 0.00 0.00 175.35 175.33 1rs2 s VAL 31 N 0.19 1.28 -0.13 4.02 1.01 0.40 -0.62 120.40 126.55 1rs2 s VAL 31 Ca 0.09 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1rs2 s VAL 31 Cb -0.11 -1.11 -0.00 0.00 0.00 0.00 0.00 36.38 35.16 1rs2 s VAL 31 CO -0.01 0.38 -0.19 -1.81 0.00 0.00 0.00 175.10 173.47 1rs2 s ASP 32 N 0.17 3.43 -0.11 3.32 1.01 -0.37 -1.21 116.67 122.92 1rs2 s ASP 32 Ca -0.06 -0.51 0.01 0.00 0.71 0.00 0.00 52.55 52.71 1rs2 s ASP 32 Cb -0.12 -1.50 0.02 0.00 1.01 0.00 0.00 42.92 42.33 1rs2 s ASP 32 CO 0.02 0.12 -0.12 -0.69 0.21 0.00 0.00 175.17 174.71 1rs2 s VAL 33 N 0.62 1.27 -0.16 -1.27 1.01 -0.27 -1.51 120.40 120.09 1rs2 s VAL 33 Ca -0.10 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1rs2 s VAL 33 Cb -0.16 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.03 1rs2 s VAL 33 CO 0.03 0.40 -0.18 -0.89 0.00 0.00 0.00 175.10 174.46 1rs2 s THR 34 N 1.27 1.88 -0.11 3.92 2.01 -0.88 -1.58 115.64 122.15 1rs2 s THR 34 Ca -0.02 -0.84 -0.01 0.00 0.31 0.00 0.00 61.69 61.14 1rs2 s THR 34 Cb -0.14 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 1rs2 s THR 34 CO -0.05 0.51 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.56 1rs2 s LEU 35 N 1.26 3.08 -0.31 4.42 1.43 -0.32 -1.03 118.68 127.21 1rs2 s LEU 35 Ca 0.03 -0.13 -0.26 0.00 -1.03 0.00 0.00 54.13 52.73 1rs2 s LEU 35 Cb -0.13 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.39 1rs2 s LEU 35 CO -0.10 0.25 0.92 -0.75 0.23 0.00 0.00 176.35 176.90 1rs2 s LYS 36 N -0.14 4.00 -0.11 1.70 2.20 0.13 -1.68 119.74 125.84 1rs2 s LYS 36 Ca 0.01 0.80 -0.13 0.00 -0.36 0.00 0.00 55.97 56.30 1rs2 s LYS 36 Cb -0.13 -3.74 0.03 0.00 -1.51 0.00 0.00 37.83 32.49 1rs2 s LYS 36 CO 0.03 -0.79 0.34 0.08 -0.36 0.00 0.00 175.35 174.65 1rs2 s VAL 37 N 3.28 0.01 -0.29 4.02 1.01 -1.23 0.38 120.40 127.58 1rs2 s VAL 37 Ca 0.38 -0.09 -0.27 0.00 0.00 0.00 0.00 61.98 62.00 1rs2 s VAL 37 Cb -0.13 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.74 1rs2 s VAL 37 CO 0.14 -0.05 0.96 -0.62 0.00 0.00 0.00 175.10 175.53 1rs2 s ASP 38 N -0.11 6.88 -0.28 3.32 -1.08 -1.26 -4.19 116.67 119.96 1rs2 s ASP 38 Ca -0.03 1.02 0.10 0.00 -0.52 0.00 0.00 52.55 53.12 1rs2 s ASP 38 Cb -0.03 -2.49 0.52 0.00 -1.46 0.00 0.00 42.92 39.45 1rs2 s ASP 38 CO 0.01 -0.72 1.48 0.18 0.52 0.00 0.00 175.17 176.64 1rs2 n LEU 39 N 6.46 4.19 0.02 -1.34 4.77 -1.26 -4.66 117.00 125.18 1rs2 n LEU 39 Ca 0.09 -3.65 -0.11 0.00 -0.03 0.00 0.00 56.01 52.30 1rs2 n LEU 39 Cb 0.47 -0.63 -0.14 0.00 -2.33 0.00 0.00 43.42 40.80 1rs2 n LEU 39 CO 0.54 1.16 -0.36 0.77 -1.33 0.00 0.00 177.39 178.17 1rs2 h SER 40 N 1.11 0.14 0.20 -1.43 4.64 -1.93 -1.62 113.55 114.65 1rs2 h SER 40 Ca 0.21 -0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1rs2 h SER 40 Cb 1.68 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.72 1rs2 h SER 40 CO 0.39 1.19 -0.10 -0.08 -0.87 0.00 0.00 176.83 177.37 1rs2 h GLU 41 N 0.02 -0.26 -0.38 4.77 4.81 -1.89 0.29 114.58 121.94 1rs2 h GLU 41 Ca -0.23 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1rs2 h GLU 41 Cb 1.96 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 31.39 1rs2 h GLU 41 CO 0.11 0.11 0.25 0.00 -0.73 0.00 0.00 179.01 178.75 1rs2 h ALA 42 N -0.08 1.73 0.00 2.92 0.00 -1.72 1.19 119.26 123.30 1rs2 h ALA 42 Ca -0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1rs2 h ALA 42 Cb 0.49 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1rs2 h ALA 42 CO 0.05 0.25 -0.22 0.78 0.00 0.00 0.00 179.25 180.11 1rs2 h GLY 43 N 0.52 0.00 0.08 0.00 0.00 -1.14 0.28 103.07 102.81 1rs2 h GLY 43 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.29 1rs2 h GLY 43 CO -0.03 0.00 -0.99 -0.09 0.00 0.00 0.00 176.54 175.43 1rs2 h ARG 44 N 0.00 0.03 0.18 4.80 2.43 0.27 -3.40 114.38 118.70 1rs2 h ARG 44 Ca -0.00 -0.06 -0.32 0.00 -0.81 0.00 0.00 59.98 58.79 1rs2 h ARG 44 Cb 0.88 0.02 0.03 0.00 -0.42 0.00 0.00 29.97 30.49 1rs2 h ARG 44 CO 0.03 1.03 -1.36 1.79 -1.51 0.00 0.00 179.97 179.95 1rs2 h THR 45 N -0.90 1.29 0.00 0.20 1.35 0.12 -3.48 112.91 111.50 1rs2 h THR 45 Ca -0.26 -2.61 0.00 0.00 -0.55 0.00 0.00 66.41 62.99 1rs2 h THR 45 Cb 1.30 2.87 0.00 0.00 -1.73 0.00 0.00 68.15 70.59 1rs2 h THR 45 CO -0.12 0.79 0.00 -0.67 -0.25 0.00 0.00 175.52 175.26 1rs2 n ASP 46 N -3.74 -2.85 -4.46 5.36 2.03 1.00 -5.02 116.55 108.87 1rs2 n ASP 46 Ca -0.15 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.74 1rs2 n ASP 46 Cb 1.05 -0.47 -0.10 0.00 -0.72 0.00 0.00 41.12 40.87 1rs2 n ASP 46 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1rs2 s ASN 47 N -2.85 6.04 0.39 1.67 3.84 -1.25 -4.96 114.94 117.83 1rs2 s ASN 47 Ca 0.00 -0.81 0.16 0.00 0.21 0.00 0.00 52.86 52.42 1rs2 s ASN 47 Cb 0.00 -2.13 0.89 0.00 -0.55 0.00 0.00 41.25 39.45 1rs2 s ASN 47 CO 0.00 -0.39 1.42 1.62 -2.79 0.00 0.00 177.10 176.96 1rs2 h VAL 48 N 5.64 0.00 0.00 -5.21 3.04 -1.95 0.28 116.25 118.05 1rs2 h VAL 48 Ca -0.28 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 1rs2 h VAL 48 Cb 1.13 0.36 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 1rs2 h VAL 48 CO 0.70 0.00 0.00 -0.29 -1.01 0.00 0.00 177.57 176.97 1rs2 h ILE 49 N 0.00 0.00 -0.41 3.17 6.09 -2.00 -3.12 117.51 121.24 1rs2 h ILE 49 Ca 0.00 -0.57 0.00 0.00 -1.37 0.00 0.00 64.86 62.92 1rs2 h ILE 49 Cb 0.62 1.54 0.00 0.00 0.47 0.00 0.00 36.82 39.44 1rs2 h ILE 49 CO 0.00 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 175.55 1rs2 n ASP 50 N -2.49 3.69 -3.01 2.19 8.00 0.99 -4.93 116.55 120.98 1rs2 n ASP 50 Ca 0.05 -2.44 -0.14 0.00 0.71 0.00 0.00 54.79 52.96 1rs2 n ASP 50 Cb 0.42 -0.54 -0.02 0.00 -0.02 0.00 0.00 41.12 40.96 1rs2 n ASP 50 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1rs2 n THR 51 N 0.55 0.00 -3.45 -3.53 5.66 -1.18 -4.15 114.28 108.18 1rs2 n THR 51 Ca 0.18 -1.70 -0.39 0.00 -3.05 0.00 0.00 64.05 59.09 1rs2 n THR 51 Cb 0.74 1.11 -0.09 0.00 -1.55 0.00 0.00 70.33 70.54 1rs2 n THR 51 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1rs2 s VAL 52 N -2.71 5.22 -0.18 1.08 1.01 -1.26 -5.01 120.40 118.55 1rs2 s VAL 52 Ca 0.28 0.49 -0.29 0.00 0.00 0.00 0.00 61.98 62.45 1rs2 s VAL 52 Cb -0.02 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1rs2 s VAL 52 CO 0.20 0.20 1.38 -2.28 0.00 0.00 0.00 175.10 174.60 1rs2 s HIS 53 N 1.81 2.58 0.11 5.22 2.46 -1.26 -4.95 115.29 121.27 1rs2 s HIS 53 Ca 0.14 0.78 -0.13 0.00 0.47 0.00 0.00 55.06 56.32 1rs2 s HIS 53 Cb -0.15 -3.70 -0.09 0.00 -0.13 0.00 0.00 32.58 28.51 1rs2 s HIS 53 CO 0.09 -2.23 1.41 0.10 -2.47 0.00 0.00 174.74 171.64 1rs2 h TYR 54 N 8.93 1.01 -1.02 3.88 -0.00 -1.98 -2.60 116.97 125.19 1rs2 h TYR 54 Ca -0.29 -0.34 0.25 0.00 -0.00 0.00 0.00 58.73 58.35 1rs2 h TYR 54 Cb 1.12 -0.20 -0.09 0.00 -0.00 0.00 0.00 36.73 37.57 1rs2 h TYR 54 CO 0.84 1.14 0.66 0.78 -0.00 0.00 0.00 178.16 181.58 1rs2 h GLY 55 N 0.58 1.11 0.68 0.10 0.00 -1.99 1.00 103.07 104.56 1rs2 h GLY 55 Ca 0.03 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 1rs2 h GLY 55 CO 0.10 -0.10 -0.14 0.83 0.00 0.00 0.00 176.54 177.23 1rs2 h GLU 56 N 0.40 0.28 -0.55 4.80 5.08 -1.95 -2.24 114.58 120.40 1rs2 h GLU 56 Ca 0.57 -0.16 0.09 0.00 -1.00 0.00 0.00 59.36 58.86 1rs2 h GLU 56 Cb 1.44 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.63 1rs2 h GLU 56 CO -0.26 0.72 0.16 0.28 -1.00 0.00 0.00 179.01 178.90 1rs2 h VAL 57 N -0.15 0.74 -0.36 3.13 2.07 0.61 -0.45 116.25 121.84 1rs2 h VAL 57 Ca 0.01 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1rs2 h VAL 57 Cb 0.68 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1rs2 h VAL 57 CO 0.03 0.06 0.21 0.15 0.02 0.00 0.00 177.57 178.04 1rs2 h PHE 58 N 0.31 0.47 -0.23 1.57 3.57 0.76 -1.47 116.94 121.92 1rs2 h PHE 58 Ca 0.28 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.68 1rs2 h PHE 58 Cb 0.36 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1rs2 h PHE 58 CO -0.20 0.32 -0.30 0.93 -2.23 0.00 0.00 178.31 176.83 1rs2 h GLU 59 N 0.50 0.46 -0.08 1.11 4.39 -0.47 0.61 114.58 121.10 1rs2 h GLU 59 Ca 0.13 -0.19 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 1rs2 h GLU 59 Cb -0.01 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1rs2 h GLU 59 CO -0.02 0.72 -0.16 0.93 -1.16 0.00 0.00 179.01 179.31 1rs2 h GLU 60 N 0.40 0.26 -0.03 2.33 4.39 -0.66 -1.88 114.58 119.39 1rs2 h GLU 60 Ca 0.05 -0.17 0.02 0.00 0.34 0.00 0.00 59.36 59.61 1rs2 h GLU 60 Cb 0.73 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 1rs2 h GLU 60 CO 0.06 0.76 -0.09 0.28 -1.16 0.00 0.00 179.01 178.86 1rs2 h VAL 61 N -0.21 0.77 0.31 3.13 2.07 -1.16 -2.84 116.25 118.31 1rs2 h VAL 61 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1rs2 h VAL 61 Cb 0.75 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1rs2 h VAL 61 CO 0.04 0.00 -0.41 0.50 0.02 0.00 0.00 177.57 177.72 1rs2 h LYS 62 N -0.13 -0.74 -0.41 1.57 3.64 -0.89 -0.39 116.57 119.21 1rs2 h LYS 62 Ca 0.05 0.05 0.12 0.00 -1.27 0.00 0.00 60.65 59.59 1rs2 h LYS 62 Cb 0.20 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1rs2 h LYS 62 CO -0.11 -0.49 0.54 0.66 -2.27 0.00 0.00 179.45 177.77 1rs2 h SER 63 N -0.77 0.00 0.07 4.20 4.64 -1.26 0.27 113.55 120.70 1rs2 h SER 63 Ca -0.02 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.00 1rs2 h SER 63 Cb 0.72 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 1rs2 h SER 63 CO -0.12 0.00 -1.64 0.40 -0.87 0.00 0.00 176.83 174.60 1rs2 h ILE 64 N 0.00 0.77 -0.11 0.95 2.04 -1.14 -3.20 117.51 116.82 1rs2 h ILE 64 Ca 0.19 -2.27 -0.10 0.00 1.00 0.00 0.00 64.86 63.68 1rs2 h ILE 64 Cb 1.27 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 39.72 1rs2 h ILE 64 CO -0.00 0.62 -0.40 0.24 0.00 0.00 0.00 178.15 178.62 1rs2 h MET 65 N -0.43 0.24 -0.64 2.37 2.86 0.03 -2.92 114.93 116.44 1rs2 h MET 65 Ca -0.39 -0.11 -0.23 0.00 -2.06 0.00 0.00 59.70 56.92 1rs2 h MET 65 Cb 1.69 -0.00 -0.14 0.00 0.06 0.00 0.00 31.60 33.21 1rs2 h MET 65 CO -0.05 0.60 0.23 0.39 1.06 0.00 0.00 176.91 179.14 1rs2 n GLU 66 N -4.04 2.98 -0.81 1.72 1.02 0.84 -4.46 120.64 117.89 1rs2 n GLU 66 Ca -0.01 -3.06 0.00 0.00 -0.02 0.00 0.00 57.16 54.06 1rs2 n GLU 66 Cb 0.47 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 1rs2 n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rs2 n GLY 67 N -0.58 3.16 3.03 0.62 0.00 -1.10 -4.95 105.19 105.36 1rs2 n GLY 67 Ca 0.40 -2.11 -0.39 0.00 0.00 0.00 0.00 46.02 43.92 1rs2 n GLY 67 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rs2 n LYS 68 N -0.41 0.00 -2.72 1.61 4.81 -1.26 -4.85 118.16 115.34 1rs2 n LYS 68 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 1rs2 n LYS 68 Cb 0.00 -0.91 -0.03 0.00 0.02 0.00 0.00 35.03 34.11 1rs2 n LYS 68 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1rs2 s ALA 69 N -1.43 3.18 0.53 3.14 0.00 -1.26 -4.94 121.76 120.98 1rs2 s ALA 69 Ca 0.55 0.52 0.01 0.00 0.00 0.00 0.00 51.96 53.04 1rs2 s ALA 69 Cb -0.63 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.18 1rs2 s ALA 69 CO 0.56 -0.24 0.12 1.33 0.00 0.00 0.00 175.76 177.53 1rs2 n VAL 70 N 3.92 0.00 -0.07 0.00 0.24 -1.26 -4.97 118.33 116.19 1rs2 n VAL 70 Ca 0.06 -2.40 -0.08 0.00 -2.04 0.00 0.00 64.34 59.87 1rs2 n VAL 70 Cb 0.51 0.35 -0.04 0.00 -1.47 0.00 0.00 33.84 33.19 1rs2 n VAL 70 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 1rs2 h ASN 71 N 1.09 0.00 -2.49 -1.34 2.35 -1.95 -0.52 115.58 112.72 1rs2 h ASN 71 Ca -0.41 -0.18 -0.54 0.00 -0.55 0.00 0.00 56.30 54.62 1rs2 h ASN 71 Cb 1.31 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.63 1rs2 h ASN 71 CO 0.67 0.90 -0.53 -0.76 -1.65 0.00 0.00 177.43 176.06 1rs2 s LEU 72 N -8.20 3.90 0.26 1.61 1.43 -1.26 -3.26 118.68 113.17 1rs2 s LEU 72 Ca -0.16 -0.12 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1rs2 s LEU 72 Cb 0.02 -2.48 0.34 0.00 0.03 0.00 0.00 46.19 44.11 1rs2 s LEU 72 CO 0.30 0.02 1.66 -0.07 0.23 0.00 0.00 176.35 178.49 1rs2 h LEU 73 N 2.00 0.44 -2.17 1.79 3.38 -1.99 -2.59 115.31 116.17 1rs2 h LEU 73 Ca -0.48 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.29 1rs2 h LEU 73 Cb 1.21 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1rs2 h LEU 73 CO 0.63 0.78 -0.05 -0.33 0.09 0.00 0.00 178.44 179.56 1rs2 h GLU 74 N 0.35 0.00 0.14 1.13 3.07 -1.98 -0.74 114.58 116.56 1rs2 h GLU 74 Ca 0.04 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.61 1rs2 h GLU 74 Cb 0.83 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.75 1rs2 h GLU 74 CO 0.07 0.05 -1.27 1.25 -1.40 0.00 0.00 179.01 177.71 1rs2 h HIS 75 N 0.00 0.57 -0.17 4.33 2.76 -1.88 -2.60 115.15 118.16 1rs2 h HIS 75 Ca -0.00 -0.41 -0.14 0.00 -2.20 0.00 0.00 60.37 57.62 1rs2 h HIS 75 Cb 0.10 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.04 1rs2 h HIS 75 CO 0.00 1.32 -0.44 -0.07 -1.30 0.00 0.00 177.93 177.44 1rs2 h LEU 76 N 0.09 0.68 -1.15 0.26 3.38 -1.27 -2.08 115.31 115.22 1rs2 h LEU 76 Ca -0.15 -0.58 -0.08 0.00 0.09 0.00 0.00 57.88 57.16 1rs2 h LEU 76 Cb 1.99 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 1rs2 h LEU 76 CO 0.21 1.14 -0.33 0.00 0.09 0.00 0.00 178.44 179.55 1rs2 h ALA 77 N 0.56 1.29 0.00 1.53 0.00 -1.26 -1.57 119.26 119.82 1rs2 h ALA 77 Ca -0.01 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.39 1rs2 h ALA 77 Cb 1.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1rs2 h ALA 77 CO 0.09 0.49 -0.83 1.49 0.00 0.00 0.00 179.25 180.50 1rs2 h GLU 78 N 0.14 0.00 0.02 0.00 4.57 -1.45 -1.51 114.58 116.35 1rs2 h GLU 78 Ca 0.02 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.98 1rs2 h GLU 78 Cb 0.66 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1rs2 h GLU 78 CO 0.05 0.83 -0.96 0.00 -1.18 0.00 0.00 179.01 177.75 1rs2 h ARG 79 N 0.00 0.28 -0.05 1.92 3.08 -1.10 -2.10 114.38 116.41 1rs2 h ARG 79 Ca -0.01 -0.32 -0.05 0.00 0.07 0.00 0.00 59.98 59.67 1rs2 h ARG 79 Cb 1.53 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.68 1rs2 h ARG 79 CO 0.11 1.05 -0.17 0.82 -1.07 0.00 0.00 179.97 180.70 1rs2 h ILE 80 N 0.14 1.45 0.14 2.04 2.04 -1.28 -1.48 117.51 120.57 1rs2 h ILE 80 Ca -0.07 -1.59 -0.01 0.00 1.00 0.00 0.00 64.86 64.19 1rs2 h ILE 80 Cb 1.60 2.37 0.00 0.00 -0.74 0.00 0.00 36.82 40.05 1rs2 h ILE 80 CO 0.15 0.44 -0.07 0.00 0.00 0.00 0.00 178.15 178.68 1rs2 h ALA 81 N 0.42 -0.19 -0.94 1.87 0.00 -1.36 -0.40 119.26 118.66 1rs2 h ALA 81 Ca -0.01 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1rs2 h ALA 81 Cb 0.81 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 1rs2 h ALA 81 CO 0.04 -0.55 0.61 -0.97 0.00 0.00 0.00 179.25 178.38 1rs2 h ASN 82 N -0.30 1.01 -0.26 0.00 -0.00 -1.48 -1.73 115.58 112.83 1rs2 h ASN 82 Ca -0.02 -0.01 -0.11 0.00 -0.00 0.00 0.00 56.30 56.16 1rs2 h ASN 82 Cb 0.24 -0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 38.31 1rs2 h ASN 82 CO 0.03 0.69 -0.22 -0.09 -0.00 0.00 0.00 177.43 177.85 1rs2 h ARG 83 N 1.18 0.72 -0.17 6.67 9.65 -1.02 -2.47 114.38 128.94 1rs2 h ARG 83 Ca 0.38 -0.28 -0.15 0.00 -1.10 0.00 0.00 59.98 58.83 1rs2 h ARG 83 Cb 0.01 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.56 1rs2 h ARG 83 CO -0.12 0.88 -0.48 0.82 2.80 0.00 0.00 179.97 183.87 1rs2 h ILE 84 N 0.63 1.33 -0.32 1.20 2.04 -0.69 -3.10 117.51 118.61 1rs2 h ILE 84 Ca 0.09 -1.73 -0.09 0.00 1.00 0.00 0.00 64.86 64.13 1rs2 h ILE 84 Cb 0.71 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 1rs2 h ILE 84 CO 0.05 0.53 -0.16 0.78 0.00 0.00 0.00 178.15 179.36 1rs2 h ASN 85 N 0.28 0.56 0.49 1.72 2.35 -1.34 -2.31 115.58 117.34 1rs2 h ASN 85 Ca -0.01 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.48 1rs2 h ASN 85 Cb 1.10 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.30 1rs2 h ASN 85 CO 0.10 0.74 -0.44 0.28 -1.65 0.00 0.00 177.43 176.46 1rs2 h SER 86 N 0.52 0.00 0.59 5.81 0.02 -1.49 -3.23 113.55 115.76 1rs2 h SER 86 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1rs2 h SER 86 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1rs2 h SER 86 CO 0.04 0.44 -1.36 0.00 -1.14 0.00 0.00 176.83 174.81 1rs2 n GLN 87 N -3.93 0.59 -3.90 3.45 6.02 -1.13 -4.87 117.38 113.61 1rs2 n GLN 87 Ca -0.01 -0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.70 1rs2 n GLN 87 Cb 0.47 -1.70 -0.17 0.00 1.02 0.00 0.00 30.24 29.87 1rs2 n GLN 87 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1rs2 s TYR 88 N -3.40 1.60 0.19 1.08 2.02 -0.88 -5.00 117.35 112.96 1rs2 s TYR 88 Ca -0.03 -0.91 -0.01 0.00 -0.37 0.00 0.00 57.07 55.75 1rs2 s TYR 88 Cb 0.12 -1.28 0.12 0.00 -0.40 0.00 0.00 41.96 40.51 1rs2 s TYR 88 CO 0.83 -0.57 1.49 -0.97 -1.57 0.00 0.00 175.55 174.76 1rs2 h ASN 89 N 8.15 0.50 0.31 2.29 -0.00 -1.89 -3.16 115.58 121.77 1rs2 h ASN 89 Ca -0.27 -0.29 -0.01 0.00 -0.00 0.00 0.00 56.30 55.72 1rs2 h ASN 89 Cb 1.12 -0.14 -0.00 0.00 -0.00 0.00 0.00 38.32 39.30 1rs2 h ASN 89 CO 0.41 1.00 -0.04 0.03 -0.00 0.00 0.00 177.43 178.83 1rs2 h ARG 90 N 0.32 0.00 -6.50 6.67 3.08 -1.94 -3.39 114.38 112.61 1rs2 h ARG 90 Ca -0.01 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.49 1rs2 h ARG 90 Cb 1.18 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.16 1rs2 h ARG 90 CO 0.11 0.04 1.03 0.08 -1.07 0.00 0.00 179.97 180.16 1rs2 s VAL 91 N -4.14 3.91 0.08 2.04 1.01 -1.20 -4.39 120.40 117.71 1rs2 s VAL 91 Ca -0.03 0.79 0.16 0.00 0.00 0.00 0.00 61.98 62.91 1rs2 s VAL 91 Cb 0.13 -4.62 0.08 0.00 0.00 0.00 0.00 36.38 31.97 1rs2 s VAL 91 CO 0.51 -1.29 1.61 0.24 0.00 0.00 0.00 175.10 176.17 1rs2 h MET 92 N 10.17 0.00 -1.92 2.72 2.86 -0.29 -3.41 114.93 125.06 1rs2 h MET 92 Ca -0.26 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.35 1rs2 h MET 92 Cb 1.07 0.00 -0.21 0.00 0.06 0.00 0.00 31.60 32.52 1rs2 h MET 92 CO 1.19 0.47 0.22 -2.00 1.06 0.00 0.00 176.91 177.85 1rs2 s GLU 93 N -3.35 0.87 -0.08 1.72 2.12 -1.24 -0.63 118.70 118.10 1rs2 s GLU 93 Ca 0.01 0.61 0.03 0.00 0.36 0.00 0.00 54.97 55.98 1rs2 s GLU 93 Cb 0.10 0.42 0.01 0.00 0.26 0.00 0.00 34.13 34.91 1rs2 s GLU 93 CO 0.72 -0.19 -0.17 0.99 -0.54 0.00 0.00 175.26 176.06 1rs2 s THR 94 N -0.35 1.54 -0.19 -1.70 2.01 -0.05 0.20 115.64 117.11 1rs2 s THR 94 Ca -0.04 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.23 1rs2 s THR 94 Cb -0.03 -1.36 -0.01 0.00 0.01 0.00 0.00 72.50 71.11 1rs2 s THR 94 CO 0.04 0.44 -0.09 -0.75 -0.69 0.00 0.00 174.62 173.58 1rs2 s LYS 95 N 0.54 3.35 -0.12 4.92 2.20 -0.20 0.52 119.74 130.96 1rs2 s LYS 95 Ca -0.16 -0.66 0.03 0.00 -0.36 0.00 0.00 55.97 54.82 1rs2 s LYS 95 Cb -0.17 -2.85 0.00 0.00 -1.51 0.00 0.00 37.83 33.31 1rs2 s LYS 95 CO 0.06 -0.06 -0.21 0.08 -0.36 0.00 0.00 175.35 174.86 1rs2 s VAL 96 N 1.07 2.24 -0.12 4.02 1.01 0.71 -2.07 120.40 127.26 1rs2 s VAL 96 Ca 0.00 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.07 1rs2 s VAL 96 Cb -0.15 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.36 1rs2 s VAL 96 CO -0.01 0.55 -0.20 -0.60 0.00 0.00 0.00 175.10 174.84 1rs2 s ARG 97 N 0.53 2.72 -0.09 2.72 3.52 -0.57 -1.10 118.95 126.67 1rs2 s ARG 97 Ca -0.13 -0.75 0.02 0.00 -0.13 0.00 0.00 55.73 54.74 1rs2 s ARG 97 Cb -0.17 -2.21 0.01 0.00 -1.56 0.00 0.00 34.95 31.03 1rs2 s ARG 97 CO 0.05 -0.01 -0.15 0.42 -0.81 0.00 0.00 175.30 174.80 1rs2 s ILE 98 N 0.81 1.41 -0.07 4.11 1.01 -0.77 -1.24 121.20 126.48 1rs2 s ILE 98 Ca -0.08 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 59.99 1rs2 s ILE 98 Cb -0.16 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 1rs2 s ILE 98 CO -0.00 0.42 -0.17 -0.89 0.00 0.00 0.00 174.94 174.30 1rs2 s THR 99 N 0.85 2.79 -0.52 2.92 2.01 0.21 -2.28 115.64 121.62 1rs2 s THR 99 Ca -0.10 -0.80 -0.04 0.00 0.31 0.00 0.00 61.69 61.06 1rs2 s THR 99 Cb -0.15 -2.09 0.14 0.00 0.01 0.00 0.00 72.50 70.40 1rs2 s THR 99 CO 0.01 0.57 0.34 -0.54 -0.69 0.00 0.00 174.62 174.31 1rs2 s LYS 100 N -0.34 2.34 0.11 4.92 1.02 0.99 -1.85 119.74 126.94 1rs2 s LYS 100 Ca 0.03 -2.14 0.21 0.00 0.02 0.00 0.00 55.97 54.09 1rs2 s LYS 100 Cb -0.12 -3.71 0.85 0.00 -0.52 0.00 0.00 37.83 34.33 1rs2 s LYS 100 CO 0.02 -1.14 1.65 0.39 -0.92 0.00 0.00 175.35 175.36 1rs2 n GLU 101 N 4.14 0.10 -3.15 1.68 1.02 -1.26 -1.78 120.64 121.38 1rs2 n GLU 101 Ca 0.02 0.27 -0.17 0.00 -0.02 0.00 0.00 57.16 57.26 1rs2 n GLU 101 Cb 0.40 -1.67 -0.02 0.00 -0.02 0.00 0.00 31.44 30.13 1rs2 n GLU 101 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1rs2 n ASN 102 N -1.85 0.74 -4.22 1.62 3.02 -1.26 -4.52 115.26 108.80 1rs2 n ASN 102 Ca 0.04 -3.02 -0.30 0.00 -0.03 0.00 0.00 54.58 51.27 1rs2 n ASN 102 Cb 0.25 -0.53 0.19 0.00 -0.61 0.00 0.00 39.78 39.08 1rs2 n ASN 102 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1rs2 s PRO 103 N -2.36 0.14 -0.73 3.52 0.04 -1.26 -4.86 135.00 129.49 1rs2 s PRO 103 Ca 0.39 -0.08 -0.08 0.00 0.04 0.00 0.00 61.00 61.27 1rs2 s PRO 103 Cb 0.35 -1.76 -0.18 0.00 0.04 0.00 0.00 34.50 32.96 1rs2 s PRO 103 CO -0.07 -2.80 3.20 -2.30 0.04 0.00 0.00 177.00 175.06 1rs2 n PRO 104 N -4.11 2.67 -3.91 0.56 -0.02 -1.26 -4.80 135.00 124.13 1rs2 n PRO 104 Ca 0.12 -1.50 -0.34 0.00 -2.02 0.00 0.00 63.50 59.75 1rs2 n PRO 104 Cb 0.59 -2.35 -0.14 0.00 -0.02 0.00 0.00 33.50 31.59 1rs2 n PRO 104 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1rs2 s ILE 105 N 1.67 2.89 -0.82 4.25 1.01 -1.26 -5.05 121.20 123.89 1rs2 s ILE 105 Ca 0.65 -1.59 -0.26 0.00 0.00 0.00 0.00 60.65 59.45 1rs2 s ILE 105 Cb 0.24 -2.75 -0.14 0.00 0.01 0.00 0.00 42.46 39.81 1rs2 s ILE 105 CO -0.03 -0.23 2.38 -2.84 0.00 0.00 0.00 174.94 174.23 1rs2 s PRO 106 N 1.19 1.56 0.00 2.79 0.02 -1.26 -4.77 135.00 134.54 1rs2 s PRO 106 Ca -0.02 0.40 0.00 0.00 0.02 0.00 0.00 61.00 61.39 1rs2 s PRO 106 Cb -0.20 -4.81 0.00 0.00 0.02 0.00 0.00 34.50 29.51 1rs2 s PRO 106 CO -0.02 -4.55 0.00 0.41 -0.33 0.00 0.00 177.00 172.51 1rs2 n GLY 107 N 6.76 -1.24 3.11 0.52 0.00 -1.26 -5.12 105.19 107.97 1rs2 n GLY 107 Ca 0.46 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 1rs2 n GLY 107 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rs2 s HIS 108 N -2.54 3.26 0.12 1.61 3.76 -1.26 -5.07 115.29 115.17 1rs2 s HIS 108 Ca 0.00 -2.16 -0.14 0.00 -0.15 0.00 0.00 55.06 52.62 1rs2 s HIS 108 Cb 0.00 -1.99 0.02 0.00 1.11 0.00 0.00 32.58 31.72 1rs2 s HIS 108 CO 0.00 -0.85 0.33 1.52 -0.85 0.00 0.00 174.74 174.89 1rs2 s TYR 109 N 1.16 -0.07 0.01 1.40 -0.85 -1.26 -5.06 117.35 112.68 1rs2 s TYR 109 Ca -0.07 -0.29 0.10 0.00 -0.52 0.00 0.00 57.07 56.29 1rs2 s TYR 109 Cb -0.20 0.15 -0.12 0.00 0.38 0.00 0.00 41.96 42.18 1rs2 s TYR 109 CO -0.04 -0.66 1.30 -0.44 -1.52 0.00 0.00 175.55 174.20 1rs2 h ASP 110 N 2.49 0.00 0.00 -0.18 3.32 -1.98 -3.49 116.42 116.58 1rs2 h ASP 110 Ca -0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1rs2 h ASP 110 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1rs2 h ASP 110 CO 0.50 0.82 0.00 0.61 -1.72 0.00 0.00 179.24 179.45 1rs2 n GLY 111 N 1.32 2.21 3.40 2.75 0.00 -1.26 -4.64 105.19 108.96 1rs2 n GLY 111 Ca -0.00 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 1rs2 n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rs2 s VAL 112 N -2.00 1.50 -4.26 1.61 -7.23 -0.74 -4.95 120.40 104.34 1rs2 s VAL 112 Ca 0.00 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.07 1rs2 s VAL 112 Cb 0.00 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.53 1rs2 s VAL 112 CO 0.00 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.08 1rs2 n GLY 113 N -0.54 -1.23 3.26 2.32 0.00 -1.26 -0.01 105.19 107.74 1rs2 n GLY 113 Ca -0.05 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 44.68 1rs2 n GLY 113 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rs2 s ILE 114 N -3.00 0.48 -0.10 -0.61 -5.25 -0.97 -5.03 121.20 106.73 1rs2 s ILE 114 Ca 0.00 -1.99 -0.13 0.00 -0.99 0.00 0.00 60.65 57.54 1rs2 s ILE 114 Cb 0.00 -2.40 0.03 0.00 2.95 0.00 0.00 42.46 43.04 1rs2 s ILE 114 CO 0.00 -0.19 0.34 -0.70 -1.79 0.00 0.00 174.94 172.60 1rs2 s GLU 115 N -4.01 0.48 0.02 0.37 2.12 -1.26 -1.84 118.70 114.57 1rs2 s GLU 115 Ca 0.32 0.32 -0.02 0.00 0.36 0.00 0.00 54.97 55.95 1rs2 s GLU 115 Cb 0.07 0.23 -0.02 0.00 0.26 0.00 0.00 34.13 34.67 1rs2 s GLU 115 CO 0.09 -0.08 0.01 0.96 -0.54 0.00 0.00 175.26 175.70 1rs2 s ILE 116 N -0.19 0.11 -0.14 -3.70 -4.36 -0.26 -4.99 121.20 107.66 1rs2 s ILE 116 Ca -0.03 -0.94 0.01 0.00 -0.26 0.00 0.00 60.65 59.42 1rs2 s ILE 116 Cb -0.03 -0.43 0.02 0.00 1.25 0.00 0.00 42.46 43.27 1rs2 s ILE 116 CO 0.01 -0.52 -0.15 -0.69 0.24 0.00 0.00 174.94 173.84 1rs2 s VAL 117 N -1.70 1.61 -0.27 8.37 1.01 -1.26 -0.21 120.40 127.95 1rs2 s VAL 117 Ca -0.13 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.20 1rs2 s VAL 117 Cb -0.08 -1.49 0.07 0.00 0.00 0.00 0.00 36.38 34.88 1rs2 s VAL 117 CO -0.01 0.46 -0.05 -0.13 0.00 0.00 0.00 175.10 175.37 1rs2 s ARG 118 N 1.35 1.80 0.45 2.72 1.81 0.19 -4.98 118.95 122.30 1rs2 s ARG 118 Ca 0.02 -1.32 -0.23 0.00 -1.72 0.00 0.00 55.73 52.48 1rs2 s ARG 118 Cb -0.13 -2.81 -0.08 0.00 -0.45 0.00 0.00 34.95 31.48 1rs2 s ARG 118 CO -0.09 -0.68 1.16 -1.83 -0.68 0.00 0.00 175.30 173.19 1rs2 s GLU 119 N 1.18 3.81 -0.04 3.54 -1.05 -1.26 -0.87 118.70 124.01 1rs2 s GLU 119 Ca -0.03 1.77 -0.30 0.00 -0.15 0.00 0.00 54.97 56.27 1rs2 s GLU 119 Cb -0.19 -2.44 -0.02 0.00 -0.44 0.00 0.00 34.13 31.03 1rs2 s GLU 119 CO -0.07 -0.51 1.00 1.21 0.95 0.00 0.00 175.26 177.84 1rs2 s ASN 120 N -1.34 7.31 0.00 0.83 3.84 0.20 -4.88 114.94 120.90 1rs2 s ASN 120 Ca 0.63 1.63 0.24 0.00 0.21 0.00 0.00 52.86 55.57 1rs2 s ASN 120 Cb -0.29 -2.57 0.28 0.00 -0.55 0.00 0.00 41.25 38.13 1rs2 s ASN 120 CO 0.35 -0.34 1.31 0.29 -2.79 0.00 0.00 177.10 175.92