#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gex s TYR -3 N 0.00 2.50 -0.12 1.96 2.02 -1.26 -5.12 117.35 117.33 3gex s TYR -3 Ca 0.00 -0.29 0.01 0.00 -0.37 0.00 0.00 57.07 56.42 3gex s TYR -3 Cb 0.00 -1.41 0.02 0.00 -0.40 0.00 0.00 41.96 40.17 3gex s TYR -3 CO 0.00 0.27 -0.13 -0.06 -1.57 0.00 0.00 175.55 174.07 3gex s PHE -2 N -0.97 1.91 -0.70 2.71 0.08 -1.26 -5.02 117.98 114.73 3gex s PHE -2 Ca 0.15 -0.98 0.26 0.00 0.12 0.00 0.00 56.93 56.47 3gex s PHE -2 Cb -0.10 -1.43 0.75 0.00 -0.57 0.00 0.00 43.02 41.66 3gex s PHE -2 CO 0.06 -0.56 1.74 1.96 -0.10 0.00 0.00 175.22 178.33 3gex h GLN -1 N 7.84 0.00 0.00 0.44 1.08 -2.08 -3.50 115.11 118.89 3gex h GLN -1 Ca -0.34 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.86 3gex h GLN -1 Cb 1.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 3gex h GLN -1 CO 0.49 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.78 3gex n GLY 0 N 1.29 -2.33 3.73 3.46 0.00 -1.26 -4.87 105.19 105.21 3gex n GLY 0 Ca 0.05 -1.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 3gex n GLY 0 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gex s MET 1 N -2.61 4.50 -0.13 1.61 -1.94 -1.26 -5.04 119.30 114.44 3gex s MET 1 Ca 0.00 1.77 -0.01 0.00 -1.71 0.00 0.00 55.69 55.73 3gex s MET 1 Cb 0.00 -3.30 -0.02 0.00 2.01 0.00 0.00 34.83 33.51 3gex s MET 1 CO 0.00 -0.10 -0.09 0.14 -0.01 0.00 0.00 175.02 174.96 3gex s VAL 2 N 0.38 3.47 0.62 -6.03 -7.23 -1.26 -5.12 120.40 105.23 3gex s VAL 2 Ca 0.54 -0.52 -0.11 0.00 -1.81 0.00 0.00 61.98 60.09 3gex s VAL 2 Cb -0.30 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.13 3gex s VAL 2 CO 0.33 0.52 1.02 -0.94 -0.31 0.00 0.00 175.10 175.72 3gex s SER 3 N 0.17 6.14 0.24 4.85 1.04 -1.26 -4.93 113.70 119.96 3gex s SER 3 Ca -0.05 1.35 -0.05 0.00 0.48 0.00 0.00 55.95 57.68 3gex s SER 3 Cb -0.14 -2.39 0.34 0.00 0.10 0.00 0.00 66.02 63.93 3gex s SER 3 CO 0.04 -0.90 1.84 0.50 0.98 0.00 0.00 173.24 175.70 3gex h LYS 4 N -0.32 0.90 0.38 4.02 3.64 -1.94 -1.94 116.57 121.31 3gex h LYS 4 Ca -0.44 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 3gex h LYS 4 Cb 1.20 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 3gex h LYS 4 CO 0.62 0.60 -0.28 0.78 -2.27 0.00 0.00 179.45 178.90 3gex h GLY 5 N 0.93 -0.69 0.59 5.01 0.00 -1.71 -2.27 103.07 104.92 3gex h GLY 5 Ca 0.38 0.32 0.07 0.00 0.00 0.00 0.00 47.33 48.10 3gex h GLY 5 CO -0.19 -0.26 0.36 -2.09 0.00 0.00 0.00 176.54 174.36 3gex h GLU 6 N -0.65 0.63 -0.20 4.80 4.81 -1.61 -2.29 114.58 120.06 3gex h GLU 6 Ca -0.03 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3gex h GLU 6 Cb 0.56 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3gex h GLU 6 CO 0.00 0.42 0.13 1.49 -0.73 0.00 0.00 179.01 180.31 3gex h GLU 7 N 0.65 0.26 0.00 1.92 4.81 -1.04 -1.99 114.58 119.18 3gex h GLU 7 Ca 0.32 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 3gex h GLU 7 Cb 0.26 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3gex h GLU 7 CO -0.22 0.18 0.00 -0.07 -0.73 0.00 0.00 179.01 178.17 3gex h LEU 8 N 0.27 0.00 -2.69 1.64 3.38 -0.83 -2.70 115.31 114.38 3gex h LEU 8 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3gex h LEU 8 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3gex h LEU 8 CO -0.02 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.00 3gex n PHE 9 N -2.39 0.47 0.16 1.13 3.72 -0.75 -4.63 117.46 115.17 3gex n PHE 9 Ca -0.00 -0.44 0.06 0.00 -0.05 0.00 0.00 57.45 57.02 3gex n PHE 9 Cb 0.11 -0.02 0.55 0.00 -0.94 0.00 0.00 39.48 39.18 3gex n PHE 9 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3gex h GLY 10 N 2.38 0.21 0.00 1.37 0.00 -1.57 -3.38 103.07 102.08 3gex h GLY 10 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3gex h GLY 10 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 176.54 177.23 3gex n GLY 11 N -1.46 6.86 3.68 4.60 0.00 -1.26 -4.78 105.19 112.83 3gex n GLY 11 Ca -0.01 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 3gex n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gex s ILE 12 N 1.20 4.82 -0.14 -0.61 -1.09 -1.26 -4.44 121.20 119.68 3gex s ILE 12 Ca 0.00 1.89 -0.00 0.00 -2.23 0.00 0.00 60.65 60.31 3gex s ILE 12 Cb 0.00 -4.25 -0.01 0.00 -1.58 0.00 0.00 42.46 36.62 3gex s ILE 12 CO 0.00 0.01 -0.13 -0.69 -1.23 0.00 0.00 174.94 172.90 3gex s VAL 13 N 2.06 3.00 0.47 2.92 1.01 0.03 -4.94 120.40 124.94 3gex s VAL 13 Ca 0.45 -0.67 -0.23 0.00 0.00 0.00 0.00 61.98 61.52 3gex s VAL 13 Cb -0.18 -2.27 -0.07 0.00 0.00 0.00 0.00 36.38 33.87 3gex s VAL 13 CO 0.16 0.52 1.21 -2.16 0.00 0.00 0.00 175.10 174.82 3gex s PRO 14 N 0.48 3.66 -0.02 2.72 0.04 -1.26 -0.75 135.00 139.87 3gex s PRO 14 Ca -0.09 1.89 0.05 0.00 0.04 0.00 0.00 61.00 62.89 3gex s PRO 14 Cb -0.16 -2.41 -0.01 0.00 0.04 0.00 0.00 34.50 31.97 3gex s PRO 14 CO 0.04 -0.66 -0.18 0.42 0.04 0.00 0.00 177.00 176.66 3gex s ILE 15 N -1.48 1.41 -0.04 0.56 1.01 -0.02 -1.14 121.20 121.51 3gex s ILE 15 Ca 0.64 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 60.59 3gex s ILE 15 Cb -0.31 -1.19 -0.00 0.00 0.01 0.00 0.00 42.46 40.97 3gex s ILE 15 CO 0.38 0.40 -0.16 -0.76 0.00 0.00 0.00 174.94 174.80 3gex s LEU 16 N -0.27 1.89 -0.05 2.97 1.43 -0.46 -1.97 118.68 122.21 3gex s LEU 16 Ca 0.04 -0.34 0.05 0.00 -1.03 0.00 0.00 54.13 52.84 3gex s LEU 16 Cb -0.08 -0.93 -0.00 0.00 0.03 0.00 0.00 46.19 45.20 3gex s LEU 16 CO 0.00 0.14 -0.19 -0.69 0.23 0.00 0.00 176.35 175.84 3gex s VAL 17 N 0.11 1.55 -0.06 -1.59 1.01 -0.16 -1.28 120.40 119.98 3gex s VAL 17 Ca -0.05 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 3gex s VAL 17 Cb -0.12 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 34.96 3gex s VAL 17 CO 0.02 0.44 0.01 -1.61 0.00 0.00 0.00 175.10 173.97 3gex s GLU 18 N 0.03 0.42 -0.04 2.72 0.41 -0.21 -0.15 118.70 121.87 3gex s GLU 18 Ca -0.05 0.16 0.05 0.00 -0.41 0.00 0.00 54.97 54.72 3gex s GLU 18 Cb -0.12 -0.80 -0.00 0.00 -1.78 0.00 0.00 34.13 31.43 3gex s GLU 18 CO 0.03 -0.28 -0.18 -1.17 -0.49 0.00 0.00 175.26 173.17 3gex s LEU 19 N 1.86 1.94 -0.15 1.80 0.20 0.01 -0.25 118.68 124.08 3gex s LEU 19 Ca 0.02 -0.37 -0.00 0.00 0.69 0.00 0.00 54.13 54.47 3gex s LEU 19 Cb -0.12 -1.01 -0.01 0.00 -0.43 0.00 0.00 46.19 44.62 3gex s LEU 19 CO -0.04 0.17 -0.13 -1.61 -0.29 0.00 0.00 176.35 174.44 3gex s GLU 20 N -0.01 3.30 0.12 1.98 0.41 -0.39 -1.47 118.70 122.65 3gex s GLU 20 Ca -0.03 -0.71 0.05 0.00 -0.41 0.00 0.00 54.97 53.87 3gex s GLU 20 Cb -0.11 -2.67 -0.04 0.00 -1.78 0.00 0.00 34.13 29.53 3gex s GLU 20 CO 0.02 0.08 -0.13 0.20 -0.49 0.00 0.00 175.26 174.94 3gex s GLY 21 N 0.69 1.05 -0.18 -1.39 0.00 0.18 -1.14 107.32 106.52 3gex s GLY 21 Ca -0.07 -1.29 -0.04 0.00 0.00 0.00 0.00 44.72 43.32 3gex s GLY 21 CO 0.02 -1.35 0.20 -0.35 0.00 0.00 0.00 173.10 171.62 3gex s ASP 22 N -2.50 1.33 -0.23 1.64 -1.08 -0.55 -1.19 116.67 114.09 3gex s ASP 22 Ca 0.09 -0.14 0.02 0.00 -0.52 0.00 0.00 52.55 52.00 3gex s ASP 22 Cb -0.04 0.32 0.04 0.00 -1.46 0.00 0.00 42.92 41.78 3gex s ASP 22 CO 0.02 -0.31 -0.14 -0.69 0.52 0.00 0.00 175.17 174.57 3gex s VAL 23 N 2.31 2.16 -1.42 1.11 1.01 -0.50 -0.32 120.40 124.76 3gex s VAL 23 Ca 0.05 -1.37 -0.06 0.00 0.00 0.00 0.00 61.98 60.60 3gex s VAL 23 Cb -0.15 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 34.12 3gex s VAL 23 CO -0.11 0.18 0.50 0.59 0.00 0.00 0.00 175.10 176.26 3gex n ASN 24 N 4.51 -4.96 0.00 3.32 4.13 -0.30 -1.12 115.26 120.83 3gex n ASN 24 Ca -0.17 -0.29 0.00 0.00 1.68 0.00 0.00 54.58 55.81 3gex n ASN 24 Cb 0.45 -4.06 0.00 0.00 -1.54 0.00 0.00 39.78 34.63 3gex n ASN 24 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3gex n GLY 25 N -1.32 1.31 3.58 7.41 0.00 -1.26 -5.00 105.19 109.91 3gex n GLY 25 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 3gex n GLY 25 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gex s HIS 26 N -3.37 2.87 0.08 1.61 3.76 -0.28 -5.03 115.29 114.94 3gex s HIS 26 Ca 0.00 0.47 -0.17 0.00 -0.15 0.00 0.00 55.06 55.21 3gex s HIS 26 Cb 0.00 -4.15 -0.07 0.00 1.11 0.00 0.00 32.58 29.47 3gex s HIS 26 CO 0.00 -1.19 0.54 0.15 -0.85 0.00 0.00 174.74 173.39 3gex s LYS 27 N 4.04 4.11 0.14 1.40 1.02 -1.26 -1.41 119.74 127.78 3gex s LYS 27 Ca 0.41 0.63 -0.19 0.00 0.02 0.00 0.00 55.97 56.84 3gex s LYS 27 Cb -0.09 -3.16 0.05 0.00 -0.52 0.00 0.00 37.83 34.11 3gex s LYS 27 CO 0.28 0.61 0.50 -0.59 -0.92 0.00 0.00 175.35 175.22 3gex s PHE 28 N -1.19 -0.35 0.02 3.18 -0.71 -0.33 -4.97 117.98 113.62 3gex s PHE 28 Ca 0.30 0.07 0.04 0.00 -1.04 0.00 0.00 56.93 56.31 3gex s PHE 28 Cb -0.18 0.40 -0.02 0.00 -1.21 0.00 0.00 43.02 42.01 3gex s PHE 28 CO 0.18 -0.78 -0.12 -1.12 -1.34 0.00 0.00 175.22 172.04 3gex s SER 29 N -2.78 1.44 -0.02 1.98 0.01 -1.26 -0.65 113.70 112.40 3gex s SER 29 Ca 0.02 -0.34 0.04 0.00 1.31 0.00 0.00 55.95 56.99 3gex s SER 29 Cb 0.00 -0.12 -0.01 0.00 0.21 0.00 0.00 66.02 66.11 3gex s SER 29 CO -0.12 0.07 -0.14 -0.69 0.41 0.00 0.00 173.24 172.77 3gex s VAL 30 N -0.60 1.15 -0.01 3.43 1.01 -0.54 -1.24 120.40 123.60 3gex s VAL 30 Ca 0.02 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 61.49 3gex s VAL 30 Cb -0.06 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 3gex s VAL 30 CO 0.00 0.33 -0.23 -0.44 0.00 0.00 0.00 175.10 174.76 3gex s SER 31 N -0.09 3.33 0.06 3.32 0.01 -0.40 -0.81 113.70 119.10 3gex s SER 31 Ca 0.01 -0.44 0.04 0.00 1.31 0.00 0.00 55.95 56.86 3gex s SER 31 Cb -0.08 -0.45 -0.03 0.00 0.21 0.00 0.00 66.02 65.68 3gex s SER 31 CO 0.01 0.31 -0.11 -0.83 0.41 0.00 0.00 173.24 173.02 3gex s GLY 32 N -0.85 0.68 0.02 3.44 0.00 0.79 -0.24 107.32 111.16 3gex s GLY 32 Ca 0.11 -0.88 -0.01 0.00 0.00 0.00 0.00 44.72 43.94 3gex s GLY 32 CO 0.01 -0.92 -0.01 -0.54 0.00 0.00 0.00 173.10 171.64 3gex s GLU 33 N -1.64 0.30 0.00 2.90 2.02 -0.50 -0.99 118.70 120.79 3gex s GLU 33 Ca -0.06 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.41 3gex s GLU 33 Cb -0.10 0.11 0.00 0.00 0.10 0.00 0.00 34.13 34.24 3gex s GLU 33 CO 0.01 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.65 3gex n GLY 34 N 1.73 -0.79 3.19 -1.39 0.00 -0.83 -0.96 105.19 106.15 3gex n GLY 34 Ca -0.23 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.38 3gex n GLY 34 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gex s GLU 35 N -0.45 0.72 0.06 1.61 -1.05 -0.31 -0.84 118.70 118.44 3gex s GLU 35 Ca 0.00 -0.63 0.08 0.00 -0.15 0.00 0.00 54.97 54.28 3gex s GLU 35 Cb 0.00 0.30 -0.03 0.00 -0.44 0.00 0.00 34.13 33.96 3gex s GLU 35 CO 0.00 -0.21 -0.23 0.20 0.95 0.00 0.00 175.26 175.97 3gex s GLY 36 N -2.12 1.24 -0.44 -3.83 0.00 0.07 -1.53 107.32 100.72 3gex s GLY 36 Ca -0.05 -1.17 0.03 0.00 0.00 0.00 0.00 44.72 43.53 3gex s GLY 36 CO -0.04 -1.09 0.30 -0.35 0.00 0.00 0.00 173.10 171.91 3gex s ASP 37 N -1.34 2.92 0.60 1.64 2.15 0.36 -0.79 116.67 122.20 3gex s ASP 37 Ca 0.09 -2.81 0.30 0.00 0.43 0.00 0.00 52.55 50.56 3gex s ASP 37 Cb -0.09 -0.76 1.84 0.00 -0.30 0.00 0.00 42.92 43.60 3gex s ASP 37 CO 0.02 -0.22 2.24 0.00 -0.17 0.00 0.00 175.17 177.04 3gex h ALA 38 N 6.29 1.53 -0.64 3.66 0.00 -1.73 -0.75 119.26 127.62 3gex h ALA 38 Ca 0.11 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.14 3gex h ALA 38 Cb 0.91 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 3gex h ALA 38 CO 0.42 -0.04 0.43 1.15 0.00 0.00 0.00 179.25 181.22 3gex h THR 39 N 0.00 0.86 -0.07 0.00 2.02 -1.86 -2.16 112.91 111.70 3gex h THR 39 Ca 0.01 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.05 3gex h THR 39 Cb 0.06 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 3gex h THR 39 CO -0.00 0.07 0.00 -1.22 0.37 0.00 0.00 175.52 174.74 3gex n TYR 40 N -4.47 0.09 -2.87 3.16 4.01 -0.41 -4.93 117.16 111.74 3gex n TYR 40 Ca 0.11 -0.20 -0.19 0.00 -0.16 0.00 0.00 57.90 57.46 3gex n TYR 40 Cb 0.42 -0.02 0.03 0.00 -0.31 0.00 0.00 39.34 39.47 3gex n TYR 40 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gex n GLY 41 N 0.16 -0.37 3.41 2.72 0.00 -0.48 -4.74 105.19 105.89 3gex n GLY 41 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3gex n GLY 41 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gex s LYS 42 N -5.50 3.50 -0.07 1.61 2.20 -0.74 -0.48 119.74 120.26 3gex s LYS 42 Ca 0.24 -0.61 0.05 0.00 -0.36 0.00 0.00 55.97 55.29 3gex s LYS 42 Cb -0.11 -2.82 -0.00 0.00 -1.51 0.00 0.00 37.83 33.39 3gex s LYS 42 CO 0.30 0.14 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.70 3gex s LEU 43 N 0.58 2.00 -0.15 5.43 1.43 0.19 -0.49 118.68 127.69 3gex s LEU 43 Ca -0.05 -0.47 -0.00 0.00 -1.03 0.00 0.00 54.13 52.58 3gex s LEU 43 Cb -0.15 -1.25 0.03 0.00 0.03 0.00 0.00 46.19 44.85 3gex s LEU 43 CO 0.03 0.18 -0.09 0.42 0.23 0.00 0.00 176.35 177.12 3gex s THR 44 N 0.10 1.28 0.00 5.49 -4.23 -0.58 -1.17 115.64 116.53 3gex s THR 44 Ca -0.09 -0.55 -0.02 0.00 -1.18 0.00 0.00 61.69 59.85 3gex s THR 44 Cb -0.15 -1.31 -0.01 0.00 1.34 0.00 0.00 72.50 72.38 3gex s THR 44 CO 0.05 0.32 0.03 -0.76 -0.54 0.00 0.00 174.62 173.72 3gex s LEU 45 N 1.59 1.94 -0.07 4.79 1.43 -0.46 -1.16 118.68 126.73 3gex s LEU 45 Ca 0.03 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 52.95 3gex s LEU 45 Cb -0.14 0.24 0.01 0.00 0.03 0.00 0.00 46.19 46.33 3gex s LEU 45 CO -0.09 -0.20 -0.13 -0.75 0.23 0.00 0.00 176.35 175.41 3gex s LYS 46 N -0.85 1.78 -0.02 1.70 2.20 -0.13 -0.22 119.74 124.21 3gex s LYS 46 Ca -0.09 -0.44 0.04 0.00 -0.36 0.00 0.00 55.97 55.12 3gex s LYS 46 Cb -0.06 -1.46 -0.03 0.00 -1.51 0.00 0.00 37.83 34.78 3gex s LYS 46 CO -0.00 0.04 -0.13 -0.06 -0.36 0.00 0.00 175.35 174.84 3gex s PHE 47 N 0.64 2.73 -0.06 4.03 0.08 0.27 -1.41 117.98 124.27 3gex s PHE 47 Ca -0.15 -0.14 0.03 0.00 0.12 0.00 0.00 56.93 56.80 3gex s PHE 47 Cb -0.16 -1.60 0.01 0.00 -0.57 0.00 0.00 43.02 40.70 3gex s PHE 47 CO 0.04 0.26 -0.14 0.42 -0.10 0.00 0.00 175.22 175.69 3gex s ILE 48 N -0.84 1.26 -0.41 0.64 1.01 0.67 -1.00 121.20 122.53 3gex s ILE 48 Ca 0.14 -0.58 -0.28 0.00 0.00 0.00 0.00 60.65 59.92 3gex s ILE 48 Cb -0.11 -1.12 0.02 0.00 0.01 0.00 0.00 42.46 41.27 3gex s ILE 48 CO 0.03 0.38 1.08 0.00 0.00 0.00 0.00 174.94 176.43 3gex n THR 50 N 6.38 0.03 -0.02 0.00 -2.24 -0.37 -3.65 114.28 114.42 3gex n THR 50 Ca 0.11 -0.17 0.05 0.00 -2.27 0.00 0.00 64.05 61.77 3gex n THR 50 Cb 0.48 0.12 0.11 0.00 -2.10 0.00 0.00 70.33 68.94 3gex n THR 50 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3gex n THR 51 N -0.23 0.75 0.00 4.28 -2.24 -1.26 -4.97 114.28 110.62 3gex n THR 51 Ca 0.19 -0.88 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 3gex n THR 51 Cb 0.25 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 3gex n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gex n GLY 52 N 0.44 0.40 3.71 3.38 0.00 -1.24 -4.99 105.19 106.89 3gex n GLY 52 Ca 0.09 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 3gex n GLY 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gex s LYS 53 N 0.00 4.51 0.03 1.61 2.20 -1.26 -4.41 119.74 122.42 3gex s LYS 53 Ca 0.00 1.55 -0.30 0.00 -0.36 0.00 0.00 55.97 56.85 3gex s LYS 53 Cb 0.00 -3.42 -0.06 0.00 -1.51 0.00 0.00 37.83 32.84 3gex s LYS 53 CO 0.00 -0.13 1.41 -1.17 -0.36 0.00 0.00 175.35 175.10 3gex s LEU 54 N 1.05 4.33 0.00 5.43 2.96 -1.26 -4.90 118.68 126.29 3gex s LEU 54 Ca 0.54 2.18 0.30 0.00 -0.22 0.00 0.00 54.13 56.93 3gex s LEU 54 Cb -0.24 -3.57 1.62 0.00 0.50 0.00 0.00 46.19 44.50 3gex s LEU 54 CO 0.28 -0.71 2.07 -0.81 -1.32 0.00 0.00 176.35 175.87 3gex n PRO 55 N 5.03 0.64 -4.35 0.98 -0.04 -1.26 -4.80 135.00 131.20 3gex n PRO 55 Ca 0.13 0.01 -0.18 0.00 -0.04 0.00 0.00 63.50 63.41 3gex n PRO 55 Cb 0.43 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.29 3gex n PRO 55 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3gex s VAL 56 N -2.34 1.39 0.19 0.52 -7.23 -1.26 -4.62 120.40 107.06 3gex s VAL 56 Ca 0.35 -2.10 -0.30 0.00 -1.81 0.00 0.00 61.98 58.12 3gex s VAL 56 Cb 0.20 -2.22 -0.09 0.00 0.56 0.00 0.00 36.38 34.83 3gex s VAL 56 CO 0.41 -0.45 1.34 -2.84 -0.31 0.00 0.00 175.10 173.25 3gex s PRO 57 N -3.76 4.36 0.28 4.82 0.02 -1.26 -4.93 135.00 134.54 3gex s PRO 57 Ca 0.25 2.10 -0.02 0.00 0.02 0.00 0.00 61.00 63.35 3gex s PRO 57 Cb 0.03 -3.19 0.60 0.00 0.02 0.00 0.00 34.50 31.97 3gex s PRO 57 CO 0.08 -0.31 1.61 -1.49 -0.33 0.00 0.00 177.00 176.56 3gex h TRP 58 N 5.54 0.01 -0.50 6.54 4.06 -1.96 -0.47 115.95 129.18 3gex h TRP 58 Ca -0.44 0.06 0.14 0.00 2.06 0.00 0.00 58.89 60.71 3gex h TRP 58 Cb 1.21 0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 29.49 3gex h TRP 58 CO 0.62 -0.31 0.36 -1.35 -3.56 0.00 0.00 178.44 174.20 3gex h PRO 59 N 0.09 0.03 0.00 0.49 0.11 -1.91 0.14 132.00 130.94 3gex h PRO 59 Ca 0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 3gex h PRO 59 Cb 0.98 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3gex h PRO 59 CO -0.77 0.02 0.00 0.25 -0.21 0.00 0.00 178.00 177.29 3gex n THR 60 N -4.40 0.63 0.66 -1.15 -2.24 -0.18 -3.08 114.28 104.51 3gex n THR 60 Ca 0.09 0.11 0.09 0.00 -2.27 0.00 0.00 64.05 62.07 3gex n THR 60 Cb 0.55 -0.83 -0.12 0.00 -2.10 0.00 0.00 70.33 67.83 3gex n THR 60 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3gex n LEU 61 N -1.70 0.66 -0.06 3.22 4.77 0.03 -4.66 117.00 119.25 3gex n LEU 61 Ca 0.05 -0.36 -0.08 0.00 -0.03 0.00 0.00 56.01 55.58 3gex n LEU 61 Cb 0.26 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 3gex n LEU 61 CO 0.20 0.16 0.69 0.58 -1.33 0.00 0.00 177.39 177.70 3gex h VAL 62 N 0.00 0.37 -0.02 4.08 2.07 -1.46 0.12 116.25 121.42 3gex h VAL 62 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3gex h VAL 62 Cb 0.58 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3gex h VAL 62 CO 0.00 0.00 -0.19 0.71 0.02 0.00 0.00 177.57 178.11 3gex h THR 63 N -0.24 1.14 -0.03 2.57 1.35 -1.83 -2.57 112.91 113.30 3gex h THR 63 Ca 0.15 -0.68 -0.13 0.00 -0.55 0.00 0.00 66.41 65.20 3gex h THR 63 Cb 0.47 1.34 0.01 0.00 -1.73 0.00 0.00 68.15 68.24 3gex h THR 63 CO -0.41 0.20 -0.49 0.74 -0.25 0.00 0.00 175.52 175.31 3gex h THR 64 N 0.03 1.43 0.00 6.82 2.02 -1.66 -3.46 112.91 118.09 3gex h THR 64 Ca 0.00 -1.94 -0.03 0.00 0.77 0.00 0.00 66.41 65.21 3gex h THR 64 Cb 0.35 2.48 -0.01 0.00 -1.74 0.00 0.00 68.15 69.23 3gex h THR 64 CO 0.02 0.56 0.04 0.18 0.37 0.00 0.00 175.52 176.70 3gex n LEU 65 N -4.29 2.25 0.00 2.58 4.77 -0.04 -5.04 117.00 117.22 3gex n LEU 65 Ca -0.09 -1.23 0.00 0.00 -0.03 0.00 0.00 56.01 54.66 3gex n LEU 65 Cb 0.61 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3gex n LEU 65 CO 0.45 0.43 0.00 1.33 -1.33 0.00 0.00 177.39 178.27 3gex n VAL 69 N 2.13 0.00 0.94 4.08 0.24 -1.26 -4.98 118.33 119.48 3gex n VAL 69 Ca 0.06 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.45 3gex n VAL 69 Cb 0.27 0.00 0.47 0.00 -1.47 0.00 0.00 33.84 33.11 3gex n VAL 69 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gex n GLN 70 N 0.00 0.38 0.18 7.34 6.02 -1.26 -1.69 117.38 128.36 3gex n GLN 70 Ca 0.00 0.07 0.13 0.00 -0.01 0.00 0.00 57.00 57.19 3gex n GLN 70 Cb 0.00 -1.50 0.66 0.00 1.02 0.00 0.00 30.24 30.42 3gex n GLN 70 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gex n PHE 72 N -2.38 0.09 -1.69 0.00 3.72 -0.68 -4.72 117.46 111.80 3gex n PHE 72 Ca -0.01 -0.05 -0.43 0.00 -0.05 0.00 0.00 57.45 56.92 3gex n PHE 72 Cb 0.07 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.61 3gex n PHE 72 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3gex n SER 73 N 0.27 2.61 -4.61 4.37 7.64 -0.82 -4.12 113.62 118.96 3gex n SER 73 Ca 0.18 1.20 -0.43 0.00 1.01 0.00 0.00 58.87 60.83 3gex n SER 73 Cb 0.35 -1.46 -0.03 0.00 -1.01 0.00 0.00 64.21 62.06 3gex n SER 73 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3gex s ARG 74 N -1.82 3.88 -0.29 1.43 3.52 -0.02 -4.78 118.95 120.86 3gex s ARG 74 Ca 0.56 0.74 -0.15 0.00 -0.13 0.00 0.00 55.73 56.75 3gex s ARG 74 Cb -0.58 -3.81 -0.03 0.00 -1.56 0.00 0.00 34.95 28.96 3gex s ARG 74 CO 0.62 -1.07 0.35 0.71 -0.81 0.00 0.00 175.30 175.11 3gex s TYR 75 N 3.83 3.23 0.54 5.12 1.51 -1.26 -0.59 117.35 129.73 3gex s TYR 75 Ca 0.43 0.26 -0.19 0.00 -1.01 0.00 0.00 57.07 56.56 3gex s TYR 75 Cb -0.11 -2.59 -0.09 0.00 -0.11 0.00 0.00 41.96 39.07 3gex s TYR 75 CO 0.21 -0.28 0.64 -2.30 -1.11 0.00 0.00 175.55 172.71 3gex n PRO 76 N 5.33 0.65 -0.31 -1.71 -0.02 -1.26 -4.69 135.00 132.99 3gex n PRO 76 Ca -0.09 0.25 0.14 0.00 -2.02 0.00 0.00 63.50 61.78 3gex n PRO 76 Cb 0.50 -1.77 0.32 0.00 -0.02 0.00 0.00 33.50 32.53 3gex n PRO 76 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3gex h ASP 77 N 0.46 0.40 0.42 2.55 3.58 -2.00 0.11 116.42 121.93 3gex h ASP 77 Ca -0.45 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.15 3gex h ASP 77 Cb 1.39 0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.55 3gex h ASP 77 CO 0.49 0.02 0.00 0.00 -2.88 0.00 0.00 179.24 176.87 3gex n HIS 78 N -5.01 0.00 0.06 0.28 1.44 -1.26 -2.50 115.22 108.22 3gex n HIS 78 Ca 0.23 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.97 3gex n HIS 78 Cb 0.67 -0.32 0.06 0.00 0.12 0.00 0.00 29.99 30.52 3gex n HIS 78 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3gex n MET 79 N -1.32 1.57 0.24 -1.40 2.81 0.35 -4.76 117.12 114.61 3gex n MET 79 Ca 0.09 -1.38 0.15 0.00 -1.81 0.00 0.00 57.70 54.75 3gex n MET 79 Cb 0.17 -1.13 0.83 0.00 -0.71 0.00 0.00 33.22 32.38 3gex n MET 79 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3gex h LYS 80 N 1.11 0.00 0.00 0.03 1.57 -1.19 0.95 116.57 119.04 3gex h LYS 80 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gex h LYS 80 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3gex h LYS 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 3gex n GLN 81 N -3.95 0.80 -0.07 3.15 0.00 -1.26 -2.70 117.38 113.35 3gex n GLN 81 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 57.00 57.03 3gex n GLN 81 Cb 0.21 -1.17 0.07 0.00 0.00 0.00 0.00 30.24 29.35 3gex n GLN 81 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3gex n HIS 82 N -0.67 0.11 -2.99 2.61 8.25 0.33 -4.77 115.22 118.09 3gex n HIS 82 Ca 0.07 -0.66 -0.44 0.00 -0.26 0.00 0.00 57.72 56.42 3gex n HIS 82 Cb 0.03 -0.09 -0.02 0.00 1.12 0.00 0.00 29.99 31.03 3gex n HIS 82 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3gex s ASP 83 N -1.58 6.78 0.19 0.41 -1.08 -1.10 -4.57 116.67 115.73 3gex s ASP 83 Ca 0.14 -2.41 -0.11 0.00 -0.52 0.00 0.00 52.55 49.65 3gex s ASP 83 Cb 0.11 -2.37 0.12 0.00 -1.46 0.00 0.00 42.92 39.32 3gex s ASP 83 CO 0.03 -0.90 1.83 0.15 0.52 0.00 0.00 175.17 176.80 3gex h PHE 84 N 8.22 0.89 -0.51 -5.34 3.57 -1.91 -3.01 116.94 118.86 3gex h PHE 84 Ca 0.19 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.71 3gex h PHE 84 Cb 0.98 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.40 3gex h PHE 84 CO 1.12 0.61 0.31 0.74 -2.23 0.00 0.00 178.31 178.86 3gex h PHE 85 N 0.92 0.58 0.00 0.41 0.04 -1.90 -1.41 116.94 115.58 3gex h PHE 85 Ca 0.24 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.91 3gex h PHE 85 Cb -0.02 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 37.93 3gex h PHE 85 CO -0.01 0.34 -0.58 0.87 -0.60 0.00 0.00 178.31 178.33 3gex h LYS 86 N 0.62 0.00 0.00 1.51 1.57 -1.85 -3.33 116.57 115.09 3gex h LYS 86 Ca 0.20 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 3gex h LYS 86 Cb -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 3gex h LYS 86 CO -0.08 0.58 -0.11 0.66 -0.57 0.00 0.00 179.45 179.93 3gex h SER 87 N 0.00 0.00 -0.05 0.86 4.64 -1.11 -2.25 113.55 115.65 3gex h SER 87 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3gex h SER 87 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3gex h SER 87 CO 0.08 0.11 0.00 1.33 -0.87 0.00 0.00 176.83 177.48 3gex n VAL 88 N -4.14 0.04 -2.95 0.95 0.24 -1.19 -4.74 118.33 106.55 3gex n VAL 88 Ca -0.02 -0.40 -0.33 0.00 -2.04 0.00 0.00 64.34 61.55 3gex n VAL 88 Cb 0.19 0.98 -0.07 0.00 -1.47 0.00 0.00 33.84 33.48 3gex n VAL 88 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3gex s MET 89 N -1.96 4.13 0.07 7.34 1.00 -0.84 -0.54 119.30 128.49 3gex s MET 89 Ca 0.33 0.93 0.27 0.00 0.00 0.00 0.00 55.69 57.22 3gex s MET 89 Cb 0.20 -2.28 0.90 0.00 0.00 0.00 0.00 34.83 33.65 3gex s MET 89 CO 0.31 0.04 1.73 -0.35 0.00 0.00 0.00 175.02 176.76 3gex n PRO 90 N -0.54 0.11 -0.10 2.03 -0.04 -1.26 -3.12 135.00 132.07 3gex n PRO 90 Ca 0.06 0.07 -0.00 0.00 -0.04 0.00 0.00 63.50 63.58 3gex n PRO 90 Cb 0.54 -1.61 0.27 0.00 -0.04 0.00 0.00 33.50 32.66 3gex n PRO 90 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3gex h GLU 91 N 0.00 0.76 0.00 0.54 4.81 -1.86 -2.64 114.58 116.19 3gex h GLU 91 Ca 0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3gex h GLU 91 Cb 0.59 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3gex h GLU 91 CO 0.00 0.61 0.00 0.41 -0.73 0.00 0.00 179.01 179.30 3gex n GLY 92 N -1.13 -1.76 3.10 1.92 0.00 0.30 -4.70 105.19 102.92 3gex n GLY 92 Ca 0.04 -1.96 -0.08 0.00 0.00 0.00 0.00 46.02 44.02 3gex n GLY 92 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gex s TYR 93 N 0.00 0.31 -0.04 1.61 -0.85 -0.24 -1.10 117.35 117.03 3gex s TYR 93 Ca 0.00 -0.70 -0.18 0.00 -0.52 0.00 0.00 57.07 55.67 3gex s TYR 93 Cb 0.00 -0.22 -0.05 0.00 0.38 0.00 0.00 41.96 42.07 3gex s TYR 93 CO 0.00 -0.37 0.49 0.08 -1.52 0.00 0.00 175.55 174.24 3gex s VAL 94 N -3.03 5.03 -0.16 -3.49 1.01 0.65 -0.93 120.40 119.48 3gex s VAL 94 Ca -0.01 1.01 0.02 0.00 0.00 0.00 0.00 61.98 62.99 3gex s VAL 94 Cb 0.01 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.59 3gex s VAL 94 CO -0.07 0.44 -0.21 -1.58 0.00 0.00 0.00 175.10 173.69 3gex s GLN 95 N -0.22 2.97 0.08 2.72 0.74 0.05 -1.45 119.66 124.55 3gex s GLN 95 Ca 0.27 -0.83 0.09 0.00 0.05 0.00 0.00 55.36 54.94 3gex s GLN 95 Cb -0.17 -2.48 -0.03 0.00 1.10 0.00 0.00 33.01 31.43 3gex s GLN 95 CO 0.14 -0.12 -0.25 -1.21 -0.55 0.00 0.00 175.29 173.30 3gex s GLU 96 N 1.07 1.54 0.03 1.67 2.02 -0.06 -0.47 118.70 124.49 3gex s GLU 96 Ca -0.01 -1.17 -0.04 0.00 0.02 0.00 0.00 54.97 53.78 3gex s GLU 96 Cb -0.14 -1.82 -0.01 0.00 0.10 0.00 0.00 34.13 32.26 3gex s GLU 96 CO -0.08 0.45 0.06 1.03 0.02 0.00 0.00 175.26 176.74 3gex s ARG 97 N -1.56 0.50 -0.10 1.61 0.52 -0.60 -1.05 118.95 118.27 3gex s ARG 97 Ca 0.11 -0.69 0.02 0.00 -0.52 0.00 0.00 55.73 54.65 3gex s ARG 97 Cb -0.10 0.19 -0.01 0.00 0.52 0.00 0.00 34.95 35.55 3gex s ARG 97 CO 0.03 -0.11 -0.18 0.99 0.02 0.00 0.00 175.30 176.06 3gex s THR 98 N -2.20 2.67 -0.22 0.02 2.01 -0.52 -0.89 115.64 116.51 3gex s THR 98 Ca -0.09 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.11 3gex s THR 98 Cb -0.04 -2.07 0.03 0.00 0.01 0.00 0.00 72.50 70.44 3gex s THR 98 CO -0.03 0.55 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.68 3gex s ILE 99 N 0.10 2.28 -0.37 1.82 1.01 0.74 -1.23 121.20 125.55 3gex s ILE 99 Ca -0.08 -1.20 -0.16 0.00 0.00 0.00 0.00 60.65 59.22 3gex s ILE 99 Cb -0.15 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 40.18 3gex s ILE 99 CO 0.05 0.27 0.37 -0.36 0.00 0.00 0.00 174.94 175.27 3gex s PHE 100 N 1.23 3.20 -0.44 3.97 0.08 -0.21 -1.00 117.98 124.82 3gex s PHE 100 Ca -0.01 -0.21 -0.26 0.00 0.12 0.00 0.00 56.93 56.57 3gex s PHE 100 Cb -0.16 -2.72 0.02 0.00 -0.57 0.00 0.00 43.02 39.59 3gex s PHE 100 CO -0.08 -0.53 0.94 -0.06 -0.10 0.00 0.00 175.22 175.39 3gex s PHE 101 N 2.00 2.96 0.18 0.36 0.40 -0.48 -0.75 117.98 122.65 3gex s PHE 101 Ca 0.11 0.52 -0.33 0.00 -0.60 0.00 0.00 56.93 56.63 3gex s PHE 101 Cb -0.17 -3.92 -0.15 0.00 0.51 0.00 0.00 43.02 39.30 3gex s PHE 101 CO 0.12 -1.03 1.37 1.17 0.70 0.00 0.00 175.22 177.55 3gex n LYS 102 N 7.11 1.71 -2.09 0.44 4.81 -0.45 -0.61 118.16 129.07 3gex n LYS 102 Ca 0.07 0.61 -0.21 0.00 -0.87 0.00 0.00 58.31 57.91 3gex n LYS 102 Cb 0.48 -2.25 -0.04 0.00 0.02 0.00 0.00 35.03 33.24 3gex n LYS 102 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3gex n ASP 103 N 2.45 -5.74 -0.18 3.14 8.00 -1.26 -4.80 116.55 118.16 3gex n ASP 103 Ca 0.15 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.83 3gex n ASP 103 Cb 0.27 -4.86 0.00 0.00 -0.02 0.00 0.00 41.12 36.51 3gex n ASP 103 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3gex n ASP 104 N -1.72 0.00 -2.21 -2.24 -0.08 0.22 -4.94 116.55 105.58 3gex n ASP 104 Ca -0.23 -0.18 0.00 0.00 -1.51 0.00 0.00 54.79 52.87 3gex n ASP 104 Cb 0.68 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.14 3gex n ASP 104 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3gex n GLY 105 N 0.00 -0.76 3.04 0.27 0.00 -1.17 -4.59 105.19 101.99 3gex n GLY 105 Ca 0.00 -1.70 -0.14 0.00 0.00 0.00 0.00 46.02 44.19 3gex n GLY 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gex s ASN 106 N -1.00 0.83 -0.08 1.61 2.20 -0.83 -1.38 114.94 116.29 3gex s ASN 106 Ca 0.00 -0.46 -0.08 0.00 -0.94 0.00 0.00 52.86 51.38 3gex s ASN 106 Cb 0.00 0.01 -0.04 0.00 -2.00 0.00 0.00 41.25 39.22 3gex s ASN 106 CO 0.00 -0.15 0.21 -0.31 -2.94 0.00 0.00 177.10 173.91 3gex s TYR 107 N -1.13 3.62 -0.11 1.54 2.02 -0.17 -1.92 117.35 121.21 3gex s TYR 107 Ca -0.07 0.62 0.04 0.00 -0.37 0.00 0.00 57.07 57.28 3gex s TYR 107 Cb -0.08 -2.01 -0.00 0.00 -0.40 0.00 0.00 41.96 39.46 3gex s TYR 107 CO 0.00 0.71 -0.23 0.15 -1.57 0.00 0.00 175.55 174.61 3gex s LYS 108 N -1.13 3.07 0.04 -0.62 1.02 0.58 -0.19 119.74 122.52 3gex s LYS 108 Ca 0.18 -0.86 0.05 0.00 0.02 0.00 0.00 55.97 55.36 3gex s LYS 108 Cb -0.13 -2.33 -0.02 0.00 -0.52 0.00 0.00 37.83 34.82 3gex s LYS 108 CO 0.07 0.17 -0.16 0.95 -0.92 0.00 0.00 175.35 175.46 3gex s THR 109 N 0.38 1.25 -0.05 2.17 -4.23 -0.07 -0.86 115.64 114.22 3gex s THR 109 Ca -0.17 -1.03 0.01 0.00 -1.18 0.00 0.00 61.69 59.31 3gex s THR 109 Cb -0.18 -1.12 0.02 0.00 1.34 0.00 0.00 72.50 72.57 3gex s THR 109 CO 0.08 0.06 -0.04 -0.13 -0.54 0.00 0.00 174.62 174.05 3gex s ARG 110 N -1.12 0.88 0.03 3.99 1.81 -0.58 -1.55 118.95 122.41 3gex s ARG 110 Ca 0.03 -0.10 0.02 0.00 -1.72 0.00 0.00 55.73 53.96 3gex s ARG 110 Cb -0.08 -0.93 -0.02 0.00 -0.45 0.00 0.00 34.95 33.47 3gex s ARG 110 CO 0.01 -0.12 -0.06 0.00 -0.68 0.00 0.00 175.30 174.45 3gex s ALA 111 N 1.12 0.46 -0.23 2.13 0.00 0.38 -0.99 121.76 124.63 3gex s ALA 111 Ca -0.08 -0.66 -0.03 0.00 0.00 0.00 0.00 51.96 51.19 3gex s ALA 111 Cb -0.14 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.03 3gex s ALA 111 CO -0.01 -0.03 -0.05 -2.00 0.00 0.00 0.00 175.76 173.67 3gex s GLU 112 N -1.37 3.22 -0.23 0.00 2.12 -0.04 -0.77 118.70 121.63 3gex s GLU 112 Ca -0.10 -0.73 -0.01 0.00 0.36 0.00 0.00 54.97 54.50 3gex s GLU 112 Cb -0.09 -2.99 0.02 0.00 0.26 0.00 0.00 34.13 31.33 3gex s GLU 112 CO 0.00 -0.26 -0.09 0.08 -0.54 0.00 0.00 175.26 174.46 3gex s VAL 113 N 1.44 2.71 0.21 3.70 1.01 -0.11 -1.48 120.40 127.88 3gex s VAL 113 Ca 0.04 -1.02 -0.23 0.00 0.00 0.00 0.00 61.98 60.78 3gex s VAL 113 Cb -0.15 -2.34 0.04 0.00 0.00 0.00 0.00 36.38 33.93 3gex s VAL 113 CO -0.04 0.26 0.75 -1.59 0.00 0.00 0.00 175.10 174.48 3gex s LYS 114 N 1.31 1.51 0.16 2.72 -2.85 -0.64 -1.08 119.74 120.87 3gex s LYS 114 Ca 0.01 -0.78 -0.27 0.00 -1.00 0.00 0.00 55.97 53.93 3gex s LYS 114 Cb -0.16 0.55 -0.08 0.00 -2.06 0.00 0.00 37.83 36.09 3gex s LYS 114 CO -0.06 -0.69 0.85 -0.06 0.10 0.00 0.00 175.35 175.50 3gex s PHE 115 N -3.71 3.89 -0.37 1.78 0.40 -1.00 -0.74 117.98 118.23 3gex s PHE 115 Ca 0.09 1.72 -0.01 0.00 -0.60 0.00 0.00 56.93 58.13 3gex s PHE 115 Cb -0.04 -2.88 0.10 0.00 0.51 0.00 0.00 43.02 40.71 3gex s PHE 115 CO 0.01 0.42 0.13 -1.21 0.70 0.00 0.00 175.22 175.27 3gex s GLU 116 N -0.82 1.95 7.86 0.44 0.41 0.74 -4.93 118.70 124.34 3gex s GLU 116 Ca 0.39 -1.74 0.00 0.00 -0.41 0.00 0.00 54.97 53.21 3gex s GLU 116 Cb -0.24 -3.43 0.00 0.00 -1.78 0.00 0.00 34.13 28.69 3gex s GLU 116 CO 0.28 -0.97 0.00 0.41 -0.49 0.00 0.00 175.26 174.49 3gex n GLY 117 N 4.52 3.62 0.73 -1.39 0.00 -1.26 -2.07 105.19 109.34 3gex n GLY 117 Ca -0.03 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.06 3gex n GLY 117 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gex n ASP 118 N 7.56 2.23 -4.56 1.61 8.00 -1.26 -4.90 116.55 125.22 3gex n ASP 118 Ca 0.00 -1.77 -0.34 0.00 0.71 0.00 0.00 54.79 53.39 3gex n ASP 118 Cb 0.00 -0.10 -0.11 0.00 -0.02 0.00 0.00 41.12 40.89 3gex n ASP 118 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3gex s THR 119 N -1.80 4.34 -0.18 -3.53 2.01 -0.88 -4.28 115.64 111.32 3gex s THR 119 Ca 0.34 -0.19 -0.25 0.00 0.31 0.00 0.00 61.69 61.90 3gex s THR 119 Cb 0.20 -2.94 -0.01 0.00 0.01 0.00 0.00 72.50 69.76 3gex s THR 119 CO 0.30 0.47 0.82 -0.22 -0.69 0.00 0.00 174.62 175.30 3gex s LEU 120 N 0.45 4.16 -0.07 4.42 1.98 -0.29 -0.19 118.68 129.14 3gex s LEU 120 Ca -0.00 1.14 0.05 0.00 -2.89 0.00 0.00 54.13 52.42 3gex s LEU 120 Cb -0.13 -3.21 -0.01 0.00 0.66 0.00 0.00 46.19 43.49 3gex s LEU 120 CO 0.02 -0.42 -0.21 -0.69 -1.89 0.00 0.00 176.35 173.16 3gex s VAL 121 N 2.26 2.41 -0.29 1.68 1.01 0.08 -1.35 120.40 126.20 3gex s VAL 121 Ca 0.37 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.44 3gex s VAL 121 Cb -0.16 -1.91 0.08 0.00 0.00 0.00 0.00 36.38 34.38 3gex s VAL 121 CO 0.11 0.57 -0.03 0.21 0.00 0.00 0.00 175.10 175.97 3gex s ASN 122 N -0.22 4.42 -0.24 3.32 3.04 -0.40 -1.62 114.94 123.24 3gex s ASN 122 Ca -0.01 -1.65 -0.08 0.00 0.04 0.00 0.00 52.86 51.16 3gex s ASN 122 Cb -0.13 -1.46 -0.04 0.00 -1.54 0.00 0.00 41.25 38.08 3gex s ASN 122 CO 0.03 -0.28 0.09 -0.13 -3.04 0.00 0.00 177.10 173.77 3gex s ARG 123 N 1.12 3.78 -0.00 0.43 0.52 -0.55 -1.05 118.95 123.20 3gex s ARG 123 Ca 0.00 -0.42 0.06 0.00 -0.52 0.00 0.00 55.73 54.85 3gex s ARG 123 Cb -0.19 -3.37 -0.02 0.00 0.52 0.00 0.00 34.95 31.90 3gex s ARG 123 CO -0.08 -0.09 -0.18 0.42 0.02 0.00 0.00 175.30 175.39 3gex s ILE 124 N 1.39 1.41 -0.10 1.52 1.01 0.65 -0.86 121.20 126.22 3gex s ILE 124 Ca 0.06 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.90 3gex s ILE 124 Cb -0.15 -1.18 -0.02 0.00 0.01 0.00 0.00 42.46 41.12 3gex s ILE 124 CO 0.05 0.35 -0.15 -1.61 0.00 0.00 0.00 174.94 173.57 3gex s GLU 125 N -0.55 3.04 -0.07 2.79 2.02 -0.16 -1.26 118.70 124.50 3gex s GLU 125 Ca 0.07 -0.72 0.03 0.00 0.02 0.00 0.00 54.97 54.37 3gex s GLU 125 Cb -0.07 -2.49 0.00 0.00 0.10 0.00 0.00 34.13 31.67 3gex s GLU 125 CO -0.00 0.34 -0.18 -1.17 0.02 0.00 0.00 175.26 174.27 3gex s LEU 126 N -0.00 1.88 -0.13 1.80 0.20 -0.29 -1.53 118.68 120.61 3gex s LEU 126 Ca -0.05 -0.41 0.01 0.00 0.69 0.00 0.00 54.13 54.37 3gex s LEU 126 Cb -0.14 -1.09 0.02 0.00 -0.43 0.00 0.00 46.19 44.55 3gex s LEU 126 CO 0.04 0.11 -0.14 -0.75 -0.29 0.00 0.00 176.35 175.32 3gex s LYS 127 N 0.38 2.21 -0.09 1.98 2.47 -0.04 -1.48 119.74 125.17 3gex s LYS 127 Ca -0.14 -0.54 0.03 0.00 -1.56 0.00 0.00 55.97 53.77 3gex s LYS 127 Cb -0.16 -1.97 -0.01 0.00 -1.46 0.00 0.00 37.83 34.24 3gex s LYS 127 CO 0.05 -0.16 -0.21 0.20 0.16 0.00 0.00 175.35 175.40 3gex s GLY 128 N 1.27 1.39 0.18 5.54 0.00 0.57 -0.31 107.32 115.95 3gex s GLY 128 Ca -0.00 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 43.76 3gex s GLY 128 CO -0.06 -0.41 0.02 -0.26 0.00 0.00 0.00 173.10 172.38 3gex s ILE 129 N 0.13 0.60 -1.27 0.90 -4.36 -0.81 -1.16 121.20 115.23 3gex s ILE 129 Ca -0.11 -1.98 0.00 0.00 -0.26 0.00 0.00 60.65 58.31 3gex s ILE 129 Cb -0.16 -2.18 0.00 0.00 1.25 0.00 0.00 42.46 41.37 3gex s ILE 129 CO 0.06 -0.41 0.00 0.47 0.24 0.00 0.00 174.94 175.30 3gex n ASP 130 N -0.26 -4.38 -4.80 4.36 8.00 -1.26 -1.96 116.55 116.25 3gex n ASP 130 Ca -0.05 0.24 -0.35 0.00 0.71 0.00 0.00 54.79 55.33 3gex n ASP 130 Cb 0.64 -3.13 -0.06 0.00 -0.02 0.00 0.00 41.12 38.55 3gex n ASP 130 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3gex s PHE 131 N -2.50 3.46 0.26 1.24 0.08 -1.26 -3.05 117.98 116.21 3gex s PHE 131 Ca 0.00 1.69 -0.24 0.00 0.12 0.00 0.00 56.93 58.50 3gex s PHE 131 Cb 0.00 -2.90 -0.09 0.00 -0.57 0.00 0.00 43.02 39.46 3gex s PHE 131 CO 0.00 -0.02 0.84 0.15 -0.10 0.00 0.00 175.22 176.09 3gex s LYS 132 N -2.66 4.49 0.17 0.44 1.02 -1.26 -4.90 119.74 117.04 3gex s LYS 132 Ca 0.57 1.16 -0.18 0.00 0.02 0.00 0.00 55.97 57.54 3gex s LYS 132 Cb -0.14 -2.94 0.09 0.00 -0.52 0.00 0.00 37.83 34.31 3gex s LYS 132 CO 0.19 0.39 1.66 0.93 -0.92 0.00 0.00 175.35 177.59 3gex h GLU 133 N 3.53 -0.05 0.00 1.68 4.39 -1.96 -0.88 114.58 121.29 3gex h GLU 133 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 3gex h GLU 133 Cb 1.20 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 3gex h GLU 133 CO 0.65 -0.03 0.00 -3.47 -1.16 0.00 0.00 179.01 175.00 3gex n ASP 134 N -5.33 0.00 -1.63 1.42 -0.08 -1.26 -3.85 116.55 105.82 3gex n ASP 134 Ca 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 3gex n ASP 134 Cb 0.24 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.70 3gex n ASP 134 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3gex n GLY 135 N 0.00 4.58 0.24 0.27 0.00 -0.34 -4.94 105.19 105.00 3gex n GLY 135 Ca 0.00 -2.11 0.12 0.00 0.00 0.00 0.00 46.02 44.03 3gex n GLY 135 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3gex h ASN 136 N 0.00 0.00 0.00 1.61 2.35 -1.93 -0.30 115.58 117.31 3gex h ASN 136 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3gex h ASN 136 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3gex h ASN 136 CO 0.00 0.16 -0.08 0.40 -1.65 0.00 0.00 177.43 176.27 3gex h ILE 137 N 0.00 0.00 0.00 2.81 5.03 -1.96 -1.14 117.51 122.25 3gex h ILE 137 Ca -0.00 -0.31 -0.02 0.00 -0.12 0.00 0.00 64.86 64.41 3gex h ILE 137 Cb 0.69 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.48 3gex h ILE 137 CO 0.02 0.00 -0.11 -0.07 -0.68 0.00 0.00 178.15 177.31 3gex h LEU 138 N -0.31 0.00 -0.89 1.44 3.38 -1.74 -2.00 115.31 115.19 3gex h LEU 138 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gex h LEU 138 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3gex h LEU 138 CO 0.00 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.25 3gex n GLY 139 N -0.59 -0.02 3.61 0.83 0.00 -0.12 -4.79 105.19 104.10 3gex n GLY 139 Ca -0.02 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 3gex n GLY 139 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3gex n HIS 140 N 0.08 -2.00 -1.02 1.61 8.25 -0.75 -4.91 115.22 116.48 3gex n HIS 140 Ca 0.18 0.52 0.08 0.00 -0.26 0.00 0.00 57.72 58.24 3gex n HIS 140 Cb 0.31 -3.56 0.25 0.00 1.12 0.00 0.00 29.99 28.11 3gex n HIS 140 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3gex n LYS 141 N -4.03 2.81 -4.21 -0.41 5.02 -0.44 -5.00 118.16 111.92 3gex n LYS 141 Ca -0.09 -2.85 -0.35 0.00 -2.02 0.00 0.00 58.31 53.00 3gex n LYS 141 Cb 0.60 -1.83 -0.09 0.00 -0.02 0.00 0.00 35.03 33.68 3gex n LYS 141 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gex s LEU 142 N -2.85 3.79 0.66 -0.35 1.43 -1.25 -0.59 118.68 119.51 3gex s LEU 142 Ca 0.42 0.20 -0.16 0.00 -1.03 0.00 0.00 54.13 53.56 3gex s LEU 142 Cb 0.34 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.67 3gex s LEU 142 CO 0.08 0.35 1.14 -1.61 0.23 0.00 0.00 176.35 176.54 3gex s GLU 143 N -0.67 2.72 -0.46 1.70 0.41 0.16 -4.85 118.70 117.71 3gex s GLU 143 Ca 0.11 1.52 -0.05 0.00 -0.41 0.00 0.00 54.97 56.15 3gex s GLU 143 Cb -0.12 -1.93 0.12 0.00 -1.78 0.00 0.00 34.13 30.42 3gex s GLU 143 CO 0.02 -1.33 0.27 -0.47 -0.49 0.00 0.00 175.26 173.26 3gex s TYR 144 N -2.16 3.53 0.00 1.61 5.04 -1.26 -4.81 117.35 119.30 3gex s TYR 144 Ca 0.70 -2.32 0.00 0.00 -2.44 0.00 0.00 57.07 53.01 3gex s TYR 144 Cb -0.23 -3.30 0.00 0.00 0.35 0.00 0.00 41.96 38.78 3gex s TYR 144 CO 0.40 -0.96 0.00 -1.71 -1.34 0.00 0.00 175.55 171.94 3gex n ASN 145 N 4.53 0.00 -3.53 4.32 5.15 -1.26 -4.95 115.26 119.52 3gex n ASN 145 Ca -0.02 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.95 3gex n ASN 145 Cb 0.41 0.11 -0.05 0.00 -0.53 0.00 0.00 39.78 39.72 3gex n ASN 145 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3gex s TYR 146 N -0.44 -0.76 -0.11 1.20 5.04 -1.26 -1.24 117.35 119.78 3gex s TYR 146 Ca 0.00 1.38 0.03 0.00 -2.44 0.00 0.00 57.07 56.04 3gex s TYR 146 Cb 0.00 0.45 -0.00 0.00 0.35 0.00 0.00 41.96 42.76 3gex s TYR 146 CO 0.00 -0.37 -0.21 0.42 -1.34 0.00 0.00 175.55 174.04 3gex s ILE 147 N 2.10 2.29 -0.17 3.14 1.01 -0.42 -4.97 121.20 124.18 3gex s ILE 147 Ca -0.06 -0.94 -0.04 0.00 0.00 0.00 0.00 60.65 59.62 3gex s ILE 147 Cb -0.06 -1.90 0.08 0.00 0.01 0.00 0.00 42.46 40.60 3gex s ILE 147 CO -0.17 0.55 0.28 -0.55 0.00 0.00 0.00 174.94 175.05 3gex s SER 148 N 0.37 0.56 0.19 3.58 0.15 -1.26 -0.03 113.70 117.26 3gex s SER 148 Ca -0.16 0.35 -0.17 0.00 0.70 0.00 0.00 55.95 56.66 3gex s SER 148 Cb -0.17 0.73 0.03 0.00 -1.71 0.00 0.00 66.02 64.89 3gex s SER 148 CO 0.08 -0.27 0.51 -1.00 1.20 0.00 0.00 173.24 173.75 3gex s HIS 149 N 2.43 -0.11 -0.10 3.44 3.76 -0.77 -4.97 115.29 118.96 3gex s HIS 149 Ca 0.04 -0.23 -0.15 0.00 -0.15 0.00 0.00 55.06 54.57 3gex s HIS 149 Cb -0.14 0.37 -0.05 0.00 1.11 0.00 0.00 32.58 33.88 3gex s HIS 149 CO -0.11 -0.89 0.38 -0.80 -0.85 0.00 0.00 174.74 172.46 3gex s ASN 150 N -2.87 6.61 -0.41 1.40 0.01 -1.26 -1.72 114.94 116.70 3gex s ASN 150 Ca 0.09 0.72 -0.16 0.00 -0.71 0.00 0.00 52.86 52.80 3gex s ASN 150 Cb -0.01 -2.23 0.02 0.00 0.41 0.00 0.00 41.25 39.44 3gex s ASN 150 CO -0.03 0.14 0.38 -0.69 -1.51 0.00 0.00 177.10 175.38 3gex s VAL 151 N 0.07 5.16 -0.24 1.60 1.01 -0.26 -4.69 120.40 123.05 3gex s VAL 151 Ca 0.21 -0.40 -0.22 0.00 0.00 0.00 0.00 61.98 61.57 3gex s VAL 151 Cb -0.15 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 3gex s VAL 151 CO 0.08 -0.34 0.72 -0.31 0.00 0.00 0.00 175.10 175.25 3gex s TYR 152 N 1.96 3.31 -0.10 5.22 2.02 -0.71 -1.03 117.35 128.02 3gex s TYR 152 Ca 0.10 0.98 -0.01 0.00 -0.37 0.00 0.00 57.07 57.77 3gex s TYR 152 Cb -0.18 -2.93 -0.03 0.00 -0.40 0.00 0.00 41.96 38.43 3gex s TYR 152 CO 0.12 -0.33 -0.07 0.42 -1.57 0.00 0.00 175.55 174.12 3gex s ILE 153 N 2.54 3.65 0.06 2.71 1.01 0.74 -1.58 121.20 130.34 3gex s ILE 153 Ca 0.30 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.52 3gex s ILE 153 Cb -0.15 -2.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.76 3gex s ILE 153 CO 0.08 0.55 -0.11 0.42 0.00 0.00 0.00 174.94 175.89 3gex s THR 154 N -0.27 0.80 0.46 2.92 -4.23 -0.27 -2.50 115.64 112.55 3gex s THR 154 Ca 0.04 -1.19 -0.24 0.00 -1.18 0.00 0.00 61.69 59.11 3gex s THR 154 Cb -0.13 -0.83 -0.07 0.00 1.34 0.00 0.00 72.50 72.81 3gex s THR 154 CO 0.02 -0.32 1.31 0.00 -0.54 0.00 0.00 174.62 175.09 3gex s ALA 155 N -1.37 3.07 -0.58 3.99 0.00 -1.25 -0.57 121.76 125.06 3gex s ALA 155 Ca -0.06 1.23 0.04 0.00 0.00 0.00 0.00 51.96 53.17 3gex s ALA 155 Cb -0.10 -3.50 0.14 0.00 0.00 0.00 0.00 23.12 19.67 3gex s ALA 155 CO 0.01 -0.99 0.34 0.34 0.00 0.00 0.00 175.76 175.46 3gex s ASP 156 N -0.90 4.42 0.20 0.00 -1.08 0.13 -4.66 116.67 114.77 3gex s ASP 156 Ca 0.63 -3.28 -0.11 0.00 -0.52 0.00 0.00 52.55 49.27 3gex s ASP 156 Cb -0.37 -1.59 0.16 0.00 -1.46 0.00 0.00 42.92 39.65 3gex s ASP 156 CO 0.46 -0.18 1.84 0.50 0.52 0.00 0.00 175.17 178.31 3gex h LYS 157 N 6.12 0.77 -0.00 4.34 1.63 -1.95 -1.21 116.57 126.28 3gex h LYS 157 Ca 0.00 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.73 3gex h LYS 157 Cb 0.85 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 32.30 3gex h LYS 157 CO 0.68 0.51 -0.13 1.96 -3.45 0.00 0.00 179.45 179.03 3gex h GLN 158 N 0.80 0.01 -0.52 1.90 7.50 -1.94 -1.57 115.11 121.29 3gex h GLN 158 Ca 0.26 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.41 3gex h GLN 158 Cb 0.01 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.54 3gex h GLN 158 CO -0.10 0.13 0.00 1.63 -1.50 0.00 0.00 178.83 178.99 3gex n LYS 159 N -4.39 2.57 -3.26 1.46 5.02 -1.00 -4.97 118.16 113.60 3gex n LYS 159 Ca -0.03 -2.38 -0.23 0.00 -2.02 0.00 0.00 58.31 53.65 3gex n LYS 159 Cb 0.20 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 33.73 3gex n LYS 159 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3gex n ASN 160 N 1.40 -5.00 0.00 4.39 4.05 -0.59 -4.77 115.26 114.74 3gex n ASN 160 Ca 0.20 -0.38 0.00 0.00 0.45 0.00 0.00 54.58 54.85 3gex n ASN 160 Cb 0.58 -4.06 0.00 0.00 1.23 0.00 0.00 39.78 37.53 3gex n ASN 160 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3gex n GLY 161 N -1.41 4.47 3.21 8.20 0.00 -0.53 -4.48 105.19 114.65 3gex n GLY 161 Ca -0.05 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.04 3gex n GLY 161 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gex s ILE 162 N 0.08 0.90 0.21 -0.61 -4.36 -0.68 0.20 121.20 116.94 3gex s ILE 162 Ca 0.00 -1.99 0.11 0.00 -0.26 0.00 0.00 60.65 58.51 3gex s ILE 162 Cb 0.00 -1.78 -0.05 0.00 1.25 0.00 0.00 42.46 41.88 3gex s ILE 162 CO 0.00 -0.80 -0.22 -0.54 0.24 0.00 0.00 174.94 173.62 3gex s LYS 163 N -3.80 1.60 0.04 0.37 1.02 0.27 -1.09 119.74 118.14 3gex s LYS 163 Ca 0.15 -1.55 -0.06 0.00 0.02 0.00 0.00 55.97 54.52 3gex s LYS 163 Cb 0.04 -1.86 -0.01 0.00 -0.52 0.00 0.00 37.83 35.48 3gex s LYS 163 CO -0.02 0.39 0.11 0.00 -0.92 0.00 0.00 175.35 174.91 3gex s ALA 164 N -1.84 -0.09 -0.05 5.17 0.00 -0.22 -1.11 121.76 123.62 3gex s ALA 164 Ca 0.23 -0.55 -0.08 0.00 0.00 0.00 0.00 51.96 51.56 3gex s ALA 164 Cb -0.07 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.33 3gex s ALA 164 CO 0.11 -0.34 0.20 0.54 0.00 0.00 0.00 175.76 176.28 3gex s ASN 165 N -2.19 -0.15 0.05 0.00 2.20 -0.61 -0.92 114.94 113.32 3gex s ASN 165 Ca -0.04 0.22 -0.27 0.00 -0.94 0.00 0.00 52.86 51.83 3gex s ASN 165 Cb -0.00 0.36 0.09 0.00 -2.00 0.00 0.00 41.25 39.70 3gex s ASN 165 CO -0.05 -0.19 0.76 0.72 -2.94 0.00 0.00 177.10 175.40 3gex s PHE 166 N -0.44 -0.45 -0.35 1.54 -0.71 -1.00 -1.75 117.98 114.83 3gex s PHE 166 Ca -0.05 0.35 -0.05 0.00 -1.04 0.00 0.00 56.93 56.14 3gex s PHE 166 Cb -0.04 0.53 0.05 0.00 -1.21 0.00 0.00 43.02 42.36 3gex s PHE 166 CO 0.01 -0.66 0.11 0.15 -1.34 0.00 0.00 175.22 173.49 3gex s LYS 167 N -3.10 2.50 0.22 1.99 1.02 -1.26 -0.60 119.74 120.50 3gex s LYS 167 Ca 0.02 -1.30 -0.20 0.00 0.02 0.00 0.00 55.97 54.51 3gex s LYS 167 Cb -0.01 -3.44 -0.08 0.00 -0.52 0.00 0.00 37.83 33.78 3gex s LYS 167 CO -0.09 -0.73 0.72 0.00 -0.92 0.00 0.00 175.35 174.33 3gex s ALA 168 N 1.34 3.42 -0.26 5.17 0.00 -0.47 -4.93 121.76 126.03 3gex s ALA 168 Ca -0.01 0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.12 3gex s ALA 168 Cb -0.20 -2.82 0.07 0.00 0.00 0.00 0.00 23.12 20.17 3gex s ALA 168 CO 0.01 0.33 0.00 1.03 0.00 0.00 0.00 175.76 177.13 3gex s ARG 169 N -1.93 1.33 -0.19 0.00 0.52 -1.26 -0.26 118.95 117.15 3gex s ARG 169 Ca 0.42 -1.08 -0.18 0.00 -0.52 0.00 0.00 55.73 54.37 3gex s ARG 169 Cb -0.17 -2.51 -0.03 0.00 0.52 0.00 0.00 34.95 32.75 3gex s ARG 169 CO 0.21 -0.73 0.49 -1.01 0.02 0.00 0.00 175.30 174.28 3gex s HIS 170 N 1.41 3.39 0.20 -0.53 3.76 -0.35 -4.90 115.29 118.27 3gex s HIS 170 Ca 0.00 0.76 -0.31 0.00 -0.15 0.00 0.00 55.06 55.36 3gex s HIS 170 Cb -0.18 -2.63 -0.10 0.00 1.11 0.00 0.00 32.58 30.78 3gex s HIS 170 CO -0.10 -0.05 1.50 -0.80 -0.85 0.00 0.00 174.74 174.43 3gex s ASN 171 N 1.07 6.63 0.33 1.40 0.01 -1.26 0.08 114.94 123.20 3gex s ASN 171 Ca 0.23 2.63 -0.08 0.00 -0.71 0.00 0.00 52.86 54.93 3gex s ASN 171 Cb -0.15 -2.61 -0.06 0.00 0.41 0.00 0.00 41.25 38.84 3gex s ASN 171 CO 0.09 -0.76 0.64 -0.63 -1.51 0.00 0.00 177.10 174.93 3gex s ILE 172 N 0.60 4.92 -0.53 0.60 1.01 -0.05 -0.66 121.20 127.09 3gex s ILE 172 Ca 0.65 0.33 0.20 0.00 0.00 0.00 0.00 60.65 61.83 3gex s ILE 172 Cb -0.43 -3.72 0.21 0.00 0.01 0.00 0.00 42.46 38.54 3gex s ILE 172 CO 0.37 -0.36 1.62 0.35 0.00 0.00 0.00 174.94 176.92 3gex n THR 173 N -0.96 0.97 1.11 2.92 -2.24 0.25 -0.90 114.28 115.43 3gex n THR 173 Ca 0.00 0.36 0.11 0.00 -2.27 0.00 0.00 64.05 62.25 3gex n THR 173 Cb 0.54 -1.28 0.35 0.00 -2.10 0.00 0.00 70.33 67.84 3gex n THR 173 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3gex n ASP 174 N -2.09 1.96 0.00 3.42 5.75 -1.26 -4.92 116.55 119.40 3gex n ASP 174 Ca 0.01 -1.74 0.00 0.00 -0.01 0.00 0.00 54.79 53.05 3gex n ASP 174 Cb 0.17 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 3gex n ASP 174 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gex n GLY 175 N 1.20 0.52 0.00 6.12 0.00 -0.07 -5.07 105.19 107.89 3gex n GLY 175 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3gex n GLY 175 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gex n SER 176 N 0.00 -0.13 -3.95 1.61 2.88 -1.25 -4.78 113.62 108.01 3gex n SER 176 Ca 0.00 -0.79 -0.16 0.00 -1.33 0.00 0.00 58.87 56.59 3gex n SER 176 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 3gex n SER 176 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3gex s VAL 177 N -0.85 0.41 -0.36 2.46 0.11 -1.26 -0.87 120.40 120.04 3gex s VAL 177 Ca 0.00 -0.21 -0.07 0.00 -2.93 0.00 0.00 61.98 58.77 3gex s VAL 177 Cb 0.00 -0.36 0.05 0.00 -1.53 0.00 0.00 36.38 34.54 3gex s VAL 177 CO 0.00 0.12 0.15 -1.58 -3.33 0.00 0.00 175.10 170.46 3gex s GLN 178 N -0.02 2.59 0.15 1.54 2.00 0.11 -4.88 119.66 121.15 3gex s GLN 178 Ca 0.01 -1.27 -0.30 0.00 -2.00 0.00 0.00 55.36 51.80 3gex s GLN 178 Cb -0.03 -3.55 -0.08 0.00 0.80 0.00 0.00 33.01 30.15 3gex s GLN 178 CO -0.00 -0.75 1.28 -1.17 -0.50 0.00 0.00 175.29 174.15 3gex s LEU 179 N 1.40 4.40 -0.33 3.68 2.96 -1.26 -1.22 118.68 128.32 3gex s LEU 179 Ca 0.00 2.27 0.03 0.00 -0.22 0.00 0.00 54.13 56.21 3gex s LEU 179 Cb -0.20 -3.60 0.10 0.00 0.50 0.00 0.00 46.19 42.99 3gex s LEU 179 CO 0.03 -0.51 0.06 0.00 -1.32 0.00 0.00 176.35 174.60 3gex s ALA 180 N 0.50 2.60 -0.43 5.97 0.00 0.64 -1.35 121.76 129.69 3gex s ALA 180 Ca 0.58 -2.34 -0.23 0.00 0.00 0.00 0.00 51.96 49.97 3gex s ALA 180 Cb -0.34 -1.89 0.02 0.00 0.00 0.00 0.00 23.12 20.91 3gex s ALA 180 CO 0.34 -1.68 0.80 0.34 0.00 0.00 0.00 175.76 175.56 3gex s ASP 181 N 1.06 6.46 -0.12 0.00 2.15 0.07 -1.36 116.67 124.91 3gex s ASP 181 Ca 0.10 0.04 -0.14 0.00 0.43 0.00 0.00 52.55 52.98 3gex s ASP 181 Cb -0.19 -2.39 -0.05 0.00 -0.30 0.00 0.00 42.92 39.99 3gex s ASP 181 CO -0.12 -0.88 0.34 -1.00 -0.17 0.00 0.00 175.17 173.34 3gex s HIS 182 N 3.29 3.52 -0.06 -5.34 3.76 0.23 -1.04 115.29 119.65 3gex s HIS 182 Ca 0.31 0.71 0.05 0.00 -0.15 0.00 0.00 55.06 55.98 3gex s HIS 182 Cb -0.12 -2.35 -0.01 0.00 1.11 0.00 0.00 32.58 31.21 3gex s HIS 182 CO 0.22 0.31 -0.21 0.71 -0.85 0.00 0.00 174.74 174.92 3gex s TYR 183 N 0.18 2.11 0.01 1.40 1.51 -0.36 -2.37 117.35 119.82 3gex s TYR 183 Ca 0.19 -0.65 -0.01 0.00 -1.01 0.00 0.00 57.07 55.60 3gex s TYR 183 Cb -0.14 -1.40 -0.01 0.00 -0.11 0.00 0.00 41.96 40.30 3gex s TYR 183 CO 0.07 -0.22 0.00 -1.14 -1.11 0.00 0.00 175.55 173.15 3gex s GLN 184 N 0.00 0.16 0.01 -0.62 0.74 -0.09 -1.43 119.66 118.43 3gex s GLN 184 Ca -0.06 -0.25 0.01 0.00 0.05 0.00 0.00 55.36 55.11 3gex s GLN 184 Cb -0.13 0.06 -0.01 0.00 1.10 0.00 0.00 33.01 34.02 3gex s GLN 184 CO 0.04 -0.03 -0.05 -0.65 -0.55 0.00 0.00 175.29 174.05 3gex s GLN 185 N -0.65 0.37 -0.04 1.67 -0.21 -0.21 -1.05 119.66 119.53 3gex s GLN 185 Ca -0.07 -0.36 0.03 0.00 0.02 0.00 0.00 55.36 54.98 3gex s GLN 185 Cb -0.04 -0.25 0.00 0.00 1.00 0.00 0.00 33.01 33.72 3gex s GLN 185 CO -0.00 0.06 -0.12 -0.80 -2.12 0.00 0.00 175.29 172.30 3gex s ASN 186 N -0.65 1.61 -0.02 5.90 -0.87 -0.25 -0.88 114.94 119.78 3gex s ASN 186 Ca -0.04 -0.26 0.03 0.00 -1.57 0.00 0.00 52.86 51.03 3gex s ASN 186 Cb -0.05 -0.51 -0.00 0.00 -0.02 0.00 0.00 41.25 40.67 3gex s ASN 186 CO -0.00 0.08 -0.11 -0.89 -2.57 0.00 0.00 177.10 173.61 3gex s THR 187 N 0.26 0.88 0.60 1.60 2.01 -0.53 -1.69 115.64 118.77 3gex s THR 187 Ca -0.06 -0.45 -0.18 0.00 0.31 0.00 0.00 61.69 61.31 3gex s THR 187 Cb -0.11 -0.75 -0.03 0.00 0.01 0.00 0.00 72.50 71.62 3gex s THR 187 CO 0.02 0.26 1.16 -2.16 -0.69 0.00 0.00 174.62 173.20 3gex s PRO 188 N -0.10 3.03 -0.02 4.92 0.04 -1.26 -0.25 135.00 141.35 3gex s PRO 188 Ca 0.01 1.64 -0.11 0.00 0.04 0.00 0.00 61.00 62.59 3gex s PRO 188 Cb -0.06 -1.96 -0.31 0.00 0.04 0.00 0.00 34.50 32.21 3gex s PRO 188 CO -0.00 -1.12 0.76 0.82 0.04 0.00 0.00 177.00 177.51 3gex h ILE 189 N 0.74 1.04 -5.02 0.56 2.04 -1.39 -3.44 117.51 112.04 3gex h ILE 189 Ca -0.49 -2.60 -0.43 0.00 1.00 0.00 0.00 64.86 62.35 3gex h ILE 189 Cb 1.27 2.82 0.10 0.00 -0.74 0.00 0.00 36.82 40.27 3gex h ILE 189 CO 0.55 0.84 0.17 0.61 0.00 0.00 0.00 178.15 180.33 3gex n GLY 190 N 1.80 0.17 1.24 5.37 0.00 -1.26 -5.02 105.19 107.48 3gex n GLY 190 Ca -0.22 -1.95 0.12 0.00 0.00 0.00 0.00 46.02 43.97 3gex n GLY 190 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gex n ASP 191 N -3.11 3.68 -3.99 1.61 8.00 -1.26 -5.01 116.55 116.47 3gex n ASP 191 Ca 0.15 -1.99 -0.30 0.00 0.71 0.00 0.00 54.79 53.36 3gex n ASP 191 Cb 0.55 -0.35 0.23 0.00 -0.02 0.00 0.00 41.12 41.52 3gex n ASP 191 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3gex s GLY 192 N -1.26 1.59 0.52 0.44 0.00 -1.26 -5.01 107.32 102.33 3gex s GLY 192 Ca 0.43 -0.85 -0.21 0.00 0.00 0.00 0.00 44.72 44.09 3gex s GLY 192 CO 0.32 -0.02 1.22 2.56 0.00 0.00 0.00 173.10 177.18 3gex s PRO 193 N -5.34 3.36 0.08 2.90 0.04 -1.26 -5.05 135.00 129.72 3gex s PRO 193 Ca 0.70 1.90 0.03 0.00 0.04 0.00 0.00 61.00 63.67 3gex s PRO 193 Cb -0.11 -2.21 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 3gex s PRO 193 CO 0.56 -0.91 -0.10 0.14 0.04 0.00 0.00 177.00 176.73 3gex s VAL 194 N -1.51 0.84 -0.17 -0.36 -7.23 -1.26 -4.72 120.40 105.99 3gex s VAL 194 Ca 0.70 -1.48 -0.21 0.00 -1.81 0.00 0.00 61.98 59.18 3gex s VAL 194 Cb -0.32 -1.16 -0.03 0.00 0.56 0.00 0.00 36.38 35.44 3gex s VAL 194 CO 0.37 -0.50 0.64 -0.63 -0.31 0.00 0.00 175.10 174.68 3gex s ILE 195 N -2.12 5.03 -0.34 -0.62 1.01 -1.26 -5.04 121.20 117.86 3gex s ILE 195 Ca 0.01 1.24 -0.10 0.00 0.00 0.00 0.00 60.65 61.80 3gex s ILE 195 Cb -0.05 -3.96 0.01 0.00 0.01 0.00 0.00 42.46 38.47 3gex s ILE 195 CO 0.00 0.14 0.17 -0.76 0.00 0.00 0.00 174.94 174.49 3gex s LEU 196 N 1.67 4.36 0.57 2.97 1.43 -1.26 -4.26 118.68 124.17 3gex s LEU 196 Ca 0.30 -0.77 -0.14 0.00 -1.03 0.00 0.00 54.13 52.49 3gex s LEU 196 Cb -0.16 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.01 3gex s LEU 196 CO 0.12 -0.28 1.01 -2.16 0.23 0.00 0.00 176.35 175.27 3gex s PRO 197 N 1.57 3.69 0.83 1.29 0.04 -1.26 -4.97 135.00 136.18 3gex s PRO 197 Ca 0.03 0.91 -0.11 0.00 0.04 0.00 0.00 61.00 61.87 3gex s PRO 197 Cb -0.18 -2.09 0.09 0.00 0.04 0.00 0.00 34.50 32.36 3gex s PRO 197 CO 0.06 -0.49 1.09 -0.51 0.04 0.00 0.00 177.00 177.19 3gex s ASP 198 N -3.47 4.08 0.28 6.66 1.01 -1.26 -3.88 116.67 120.08 3gex s ASP 198 Ca 0.58 1.49 -0.30 0.00 0.71 0.00 0.00 52.55 55.03 3gex s ASP 198 Cb -0.11 -2.21 -0.12 0.00 1.01 0.00 0.00 42.92 41.49 3gex s ASP 198 CO 0.41 -2.26 1.47 0.59 0.21 0.00 0.00 175.17 175.59 3gex n ASN 199 N -3.64 3.21 -2.02 0.27 3.02 -1.26 -4.82 115.26 110.03 3gex n ASN 199 Ca 0.07 1.16 -0.02 0.00 -0.03 0.00 0.00 54.58 55.76 3gex n ASN 199 Cb 0.55 -1.51 0.01 0.00 -0.61 0.00 0.00 39.78 38.23 3gex n ASN 199 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gex n HIS 200 N 1.72 -1.17 -4.04 3.10 1.44 -1.04 -4.75 115.22 110.48 3gex n HIS 200 Ca 0.09 -0.69 -0.08 0.00 -2.01 0.00 0.00 57.72 55.03 3gex n HIS 200 Cb 0.34 0.34 -0.09 0.00 0.12 0.00 0.00 29.99 30.70 3gex n HIS 200 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 3gex s TYR 201 N -4.66 0.51 -0.32 -1.40 1.13 -0.55 -0.18 117.35 111.88 3gex s TYR 201 Ca 0.10 -0.97 -0.07 0.00 -1.41 0.00 0.00 57.07 54.71 3gex s TYR 201 Cb -0.02 -0.30 0.02 0.00 -1.10 0.00 0.00 41.96 40.56 3gex s TYR 201 CO 0.04 -0.49 0.11 -0.51 -2.51 0.00 0.00 175.55 172.19 3gex s LEU 202 N -2.94 4.14 -0.34 -3.49 1.43 -0.20 -0.42 118.68 116.86 3gex s LEU 202 Ca 0.12 -0.88 -0.29 0.00 -1.03 0.00 0.00 54.13 52.05 3gex s LEU 202 Cb 0.07 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.39 3gex s LEU 202 CO -0.06 -0.26 1.25 -0.55 0.23 0.00 0.00 176.35 176.95 3gex s SER 203 N 1.48 6.68 -0.06 2.29 0.15 0.74 -1.10 113.70 123.88 3gex s SER 203 Ca 0.01 1.04 0.04 0.00 0.70 0.00 0.00 55.95 57.74 3gex s SER 203 Cb -0.18 -2.54 -0.00 0.00 -1.71 0.00 0.00 66.02 61.59 3gex s SER 203 CO 0.03 -1.11 -0.19 -0.89 1.20 0.00 0.00 173.24 172.28 3gex s THR 204 N 4.37 1.65 -0.08 6.45 2.01 -0.70 -1.46 115.64 127.88 3gex s THR 204 Ca 0.54 -0.82 -0.00 0.00 0.31 0.00 0.00 61.69 61.72 3gex s THR 204 Cb -0.14 -1.43 0.02 0.00 0.01 0.00 0.00 72.50 70.96 3gex s THR 204 CO 0.24 0.47 -0.05 -1.10 -0.69 0.00 0.00 174.62 173.49 3gex s GLN 205 N 0.19 1.11 -0.12 4.92 1.11 -0.41 -1.84 119.66 124.61 3gex s GLN 205 Ca -0.09 -0.12 0.03 0.00 0.01 0.00 0.00 55.36 55.18 3gex s GLN 205 Cb -0.14 -1.22 0.00 0.00 -1.01 0.00 0.00 33.01 30.65 3gex s GLN 205 CO 0.04 -0.21 -0.23 -1.12 0.01 0.00 0.00 175.29 173.79 3gex s SER 206 N 1.52 3.12 -0.22 5.90 0.01 0.95 -1.09 113.70 123.90 3gex s SER 206 Ca -0.00 -0.58 -0.05 0.00 1.31 0.00 0.00 55.95 56.63 3gex s SER 206 Cb -0.13 -1.43 -0.02 0.00 0.21 0.00 0.00 66.02 64.65 3gex s SER 206 CO -0.04 0.12 0.00 0.00 0.41 0.00 0.00 173.24 173.73 3gex s ALA 207 N 0.57 2.98 -0.14 1.44 0.00 0.82 -1.30 121.76 126.13 3gex s ALA 207 Ca -0.13 -1.09 -0.07 0.00 0.00 0.00 0.00 51.96 50.67 3gex s ALA 207 Cb -0.17 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 3gex s ALA 207 CO 0.04 -0.34 0.10 -0.51 0.00 0.00 0.00 175.76 175.05 3gex s LEU 208 N 1.33 4.13 0.00 0.00 1.02 -0.37 -1.42 118.68 123.37 3gex s LEU 208 Ca 0.04 0.30 -0.00 0.00 0.02 0.00 0.00 54.13 54.49 3gex s LEU 208 Cb -0.15 -2.02 0.00 0.00 0.02 0.00 0.00 46.19 44.05 3gex s LEU 208 CO 0.00 0.32 0.32 -1.54 0.02 0.00 0.00 176.35 175.48 3gex n SER 209 N 2.59 -0.89 -4.29 2.29 3.41 0.35 -4.71 113.62 112.37 3gex n SER 209 Ca -0.18 -2.36 -0.25 0.00 -0.26 0.00 0.00 58.87 55.82 3gex n SER 209 Cb 0.54 1.70 -0.13 0.00 -0.26 0.00 0.00 64.21 66.06 3gex n SER 209 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3gex s LYS 210 N -2.62 1.19 -0.37 4.33 -0.14 -1.26 -1.18 119.74 119.70 3gex s LYS 210 Ca 0.21 -1.15 -0.19 0.00 -1.36 0.00 0.00 55.97 53.48 3gex s LYS 210 Cb -0.00 -1.47 0.00 0.00 -1.68 0.00 0.00 37.83 34.68 3gex s LYS 210 CO 0.15 0.35 0.54 0.34 -0.76 0.00 0.00 175.35 175.97 3gex s ASP 211 N -1.83 6.33 0.64 2.83 -1.08 -1.26 -4.94 116.67 117.36 3gex s ASP 211 Ca 0.07 -0.09 0.38 0.00 -0.52 0.00 0.00 52.55 52.40 3gex s ASP 211 Cb -0.10 -2.28 2.13 0.00 -1.46 0.00 0.00 42.92 41.21 3gex s ASP 211 CO 0.04 -0.55 2.27 1.55 0.52 0.00 0.00 175.17 179.01 3gex h PRO 212 N 8.54 0.00 -0.13 4.34 0.13 -2.04 -0.70 132.00 142.14 3gex h PRO 212 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3gex h PRO 212 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3gex h PRO 212 CO 0.80 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.66 3gex n ASN 213 N -3.32 2.55 -4.61 1.44 3.02 -1.26 -4.90 115.26 108.17 3gex n ASN 213 Ca -0.02 -1.84 -0.38 0.00 -0.03 0.00 0.00 54.58 52.31 3gex n ASN 213 Cb 0.13 -0.07 -0.10 0.00 -0.61 0.00 0.00 39.78 39.13 3gex n ASN 213 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3gex s GLU 214 N -1.85 4.01 0.01 3.52 2.56 -0.27 -4.95 118.70 121.72 3gex s GLU 214 Ca 0.33 -0.10 0.23 0.00 0.00 0.00 0.00 54.97 55.43 3gex s GLU 214 Cb 0.20 -3.63 0.20 0.00 2.00 0.00 0.00 34.13 32.90 3gex s GLU 214 CO 0.31 -0.18 1.19 1.63 -0.56 0.00 0.00 175.26 177.65 3gex n LYS 215 N 5.04 0.03 -2.48 4.30 5.02 -1.26 -4.91 118.16 123.91 3gex n LYS 215 Ca -0.11 -0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.89 3gex n LYS 215 Cb 0.51 -1.51 -0.00 0.00 -0.02 0.00 0.00 35.03 34.01 3gex n LYS 215 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3gex s ARG 216 N -3.02 3.59 -0.00 1.97 0.52 -1.26 -5.02 118.95 115.72 3gex s ARG 216 Ca 0.09 0.37 -0.30 0.00 -0.52 0.00 0.00 55.73 55.37 3gex s ARG 216 Cb 0.17 -2.30 -0.05 0.00 0.52 0.00 0.00 34.95 33.28 3gex s ARG 216 CO 0.77 -0.27 1.34 0.34 0.02 0.00 0.00 175.30 177.50 3gex s ASP 217 N -4.01 6.91 0.29 0.23 2.15 -1.26 -4.95 116.67 116.02 3gex s ASP 217 Ca 0.50 2.05 -0.16 0.00 0.43 0.00 0.00 52.55 55.37 3gex s ASP 217 Cb -0.10 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 39.97 3gex s ASP 217 CO 0.45 -0.67 0.61 -1.38 -0.17 0.00 0.00 175.17 174.02 3gex s HIS 218 N 2.21 0.17 -0.11 -5.34 -3.43 -1.26 -0.89 115.29 106.63 3gex s HIS 218 Ca 0.62 -0.60 -0.05 0.00 -0.80 0.00 0.00 55.06 54.23 3gex s HIS 218 Cb -0.30 0.46 0.05 0.00 -1.43 0.00 0.00 32.58 31.36 3gex s HIS 218 CO 0.26 -1.18 0.24 1.41 -2.00 0.00 0.00 174.74 173.47 3gex s MET 219 N -3.68 0.16 -0.13 -0.38 1.75 -0.17 -4.97 119.30 111.89 3gex s MET 219 Ca 0.18 0.62 -0.13 0.00 -1.25 0.00 0.00 55.69 55.10 3gex s MET 219 Cb -0.03 -0.10 -0.05 0.00 2.84 0.00 0.00 34.83 37.49 3gex s MET 219 CO 0.09 -0.23 0.30 0.08 -0.65 0.00 0.00 175.02 174.62 3gex s VAL 220 N 1.83 5.28 -0.07 10.11 1.01 -0.32 -0.56 120.40 137.67 3gex s VAL 220 Ca -0.04 0.58 0.02 0.00 0.00 0.00 0.00 61.98 62.54 3gex s VAL 220 Cb -0.11 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.65 3gex s VAL 220 CO -0.08 0.44 -0.11 -0.22 0.00 0.00 0.00 175.10 175.13 3gex s LEU 221 N 0.06 1.58 -0.18 3.92 2.96 0.70 -0.49 118.68 127.23 3gex s LEU 221 Ca 0.18 -0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 53.80 3gex s LEU 221 Cb -0.14 -0.78 0.00 0.00 0.50 0.00 0.00 46.19 45.77 3gex s LEU 221 CO 0.06 0.01 -0.13 -0.22 -1.32 0.00 0.00 176.35 174.75 3gex s LEU 222 N 0.75 2.52 -0.01 -0.68 2.96 -0.50 -1.36 118.68 122.35 3gex s LEU 222 Ca -0.13 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.31 3gex s LEU 222 Cb -0.15 -1.59 0.00 0.00 0.50 0.00 0.00 46.19 44.94 3gex s LEU 222 CO 0.03 0.04 -0.05 -0.70 -1.32 0.00 0.00 176.35 174.34 3gex s GLU 223 N 1.09 0.54 -0.06 1.98 2.12 -0.32 -0.12 118.70 123.92 3gex s GLU 223 Ca 0.00 -0.18 0.04 0.00 0.36 0.00 0.00 54.97 55.20 3gex s GLU 223 Cb -0.14 -0.54 -0.00 0.00 0.26 0.00 0.00 34.13 33.71 3gex s GLU 223 CO -0.04 0.08 -0.20 -0.06 -0.54 0.00 0.00 175.26 174.50 3gex s PHE 224 N 0.12 2.03 -0.06 5.30 0.08 -0.25 -0.63 117.98 124.57 3gex s PHE 224 Ca -0.01 -0.68 0.00 0.00 0.12 0.00 0.00 56.93 56.36 3gex s PHE 224 Cb -0.05 -1.37 0.02 0.00 -0.57 0.00 0.00 43.02 41.05 3gex s PHE 224 CO -0.00 -0.26 -0.04 0.08 -0.10 0.00 0.00 175.22 174.91 3gex s VAL 225 N 0.17 0.57 -0.06 -0.44 1.01 0.37 -1.29 120.40 120.73 3gex s VAL 225 Ca -0.09 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.82 3gex s VAL 225 Cb -0.14 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.63 3gex s VAL 225 CO 0.04 0.26 -0.04 -0.89 0.00 0.00 0.00 175.10 174.48 3gex s THR 226 N 1.36 0.55 0.37 3.92 2.01 -0.54 -0.84 115.64 122.47 3gex s THR 226 Ca -0.04 -0.08 -0.26 0.00 0.31 0.00 0.00 61.69 61.62 3gex s THR 226 Cb -0.13 -0.60 -0.09 0.00 0.01 0.00 0.00 72.50 71.68 3gex s THR 226 CO -0.03 0.25 1.18 0.00 -0.69 0.00 0.00 174.62 175.33 3gex s ALA 227 N 1.25 3.25 0.34 7.40 0.00 0.24 -0.18 121.76 134.05 3gex s ALA 227 Ca -0.06 1.00 -0.14 0.00 0.00 0.00 0.00 51.96 52.77 3gex s ALA 227 Cb -0.14 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.63 3gex s ALA 227 CO -0.02 -0.49 0.67 0.00 0.00 0.00 0.00 175.76 175.93 3gex s ALA 228 N -1.34 -0.45 0.00 0.00 0.00 0.44 -4.52 121.76 115.89 3gex s ALA 228 Ca 0.54 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.66 3gex s ALA 228 Cb -0.32 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.66 3gex s ALA 228 CO 0.41 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.64 3gex n GLY 229 N -0.51 0.76 3.06 0.00 0.00 -1.26 -1.48 105.19 105.76 3gex n GLY 229 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 3gex n GLY 229 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gex s ILE 230 N -2.00 1.31 0.00 -0.61 1.01 -1.26 -4.84 121.20 114.82 3gex s ILE 230 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.07 3gex s ILE 230 Cb 0.00 -1.19 0.00 0.00 0.01 0.00 0.00 42.46 41.28 3gex s ILE 230 CO 0.00 0.40 0.00 0.41 0.00 0.00 0.00 174.94 175.75