#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i3m n GLU 3 N 0.00 0.00 -1.88 0.00 0.00 -1.21 -4.70 120.64 112.85 1i3m n GLU 3 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 56.83 1i3m n GLU 3 Cb 0.00 -0.33 0.03 0.00 0.00 0.00 0.00 31.44 31.14 1i3m n GLU 3 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1i3m s LYS 4 N -1.84 2.99 -0.19 3.44 1.02 -1.13 -4.61 119.74 119.43 1i3m s LYS 4 Ca 0.00 1.35 -0.01 0.00 0.02 0.00 0.00 55.97 57.32 1i3m s LYS 4 Cb 0.00 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 1i3m s LYS 4 CO 0.00 -1.09 -0.12 0.08 -0.92 0.00 0.00 175.35 173.30 1i3m s VAL 5 N -2.34 2.79 0.01 3.17 1.01 -0.42 0.52 120.40 125.15 1i3m s VAL 5 Ca 0.66 -0.70 -0.26 0.00 0.00 0.00 0.00 61.98 61.68 1i3m s VAL 5 Cb -0.19 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 1i3m s VAL 5 CO 0.39 0.49 0.82 -0.22 0.00 0.00 0.00 175.10 176.58 1i3m s LEU 6 N 1.18 4.40 -0.31 3.92 2.96 -0.04 -1.34 118.68 129.44 1i3m s LEU 6 Ca 0.02 1.46 0.03 0.00 -0.22 0.00 0.00 54.13 55.42 1i3m s LEU 6 Cb -0.14 -3.30 0.08 0.00 0.50 0.00 0.00 46.19 43.33 1i3m s LEU 6 CO -0.05 -0.09 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.20 1i3m s VAL 7 N 0.43 2.34 0.35 1.68 1.01 0.10 -0.05 120.40 126.26 1i3m s VAL 7 Ca 0.42 -2.01 -0.25 0.00 0.00 0.00 0.00 61.98 60.14 1i3m s VAL 7 Cb -0.20 -2.57 -0.10 0.00 0.00 0.00 0.00 36.38 33.51 1i3m s VAL 7 CO 0.23 -0.36 0.95 0.42 0.00 0.00 0.00 175.10 176.34 1i3m s THR 8 N 1.01 4.24 -1.84 3.92 -4.23 -0.26 -2.03 115.64 116.45 1i3m s THR 8 Ca 0.02 1.75 0.00 0.00 -1.18 0.00 0.00 61.69 62.28 1i3m s THR 8 Cb -0.20 -3.92 0.00 0.00 1.34 0.00 0.00 72.50 69.73 1i3m s THR 8 CO -0.06 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 1i3m n GLY 9 N 0.29 -0.09 0.00 3.99 0.00 0.49 -1.95 105.19 107.93 1i3m n GLY 9 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.08 1i3m n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i3m n GLY 10 N -0.91 -0.73 0.20 -0.02 0.00 -1.15 -1.85 105.19 100.74 1i3m n GLY 10 Ca -0.24 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 45.89 1i3m n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3m n ALA 11 N -1.51 3.22 -1.18 4.61 0.00 -1.26 -1.89 120.51 122.50 1i3m n ALA 11 Ca 0.02 -0.41 -0.05 0.00 0.00 0.00 0.00 53.44 53.00 1i3m n ALA 11 Cb 0.08 -1.11 0.05 0.00 0.00 0.00 0.00 19.45 18.46 1i3m n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i3m n GLY 12 N 1.38 -1.41 0.48 0.00 0.00 -0.77 -4.64 105.19 100.22 1i3m n GLY 12 Ca 0.11 -1.65 -0.18 0.00 0.00 0.00 0.00 46.02 44.30 1i3m n GLY 12 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1i3m h TYR 13 N -1.27 -1.16 -0.25 1.61 3.20 -1.89 0.38 116.97 117.59 1i3m h TYR 13 Ca -0.10 -0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.58 1i3m h TYR 13 Cb 0.27 0.39 0.00 0.00 1.54 0.00 0.00 36.73 38.94 1i3m h TYR 13 CO 0.00 -0.69 -0.50 0.82 -1.64 0.00 0.00 178.16 176.15 1i3m h ILE 14 N -1.18 1.29 -0.40 1.81 2.04 -1.95 -3.06 117.51 116.07 1i3m h ILE 14 Ca -0.11 -1.70 0.02 0.00 1.00 0.00 0.00 64.86 64.07 1i3m h ILE 14 Cb 0.92 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.70 1i3m h ILE 14 CO 0.16 0.55 0.22 1.23 0.00 0.00 0.00 178.15 180.31 1i3m h GLY 15 N 0.53 0.55 1.06 5.37 0.00 -1.78 -0.66 103.07 108.14 1i3m h GLY 15 Ca 0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 1i3m h GLY 15 CO 0.11 0.13 0.39 1.48 0.00 0.00 0.00 176.54 178.65 1i3m h SER 16 N 0.44 1.10 -0.15 0.19 4.64 -0.19 0.37 113.55 119.95 1i3m h SER 16 Ca 0.16 -0.14 -0.08 0.00 -0.47 0.00 0.00 61.79 61.27 1i3m h SER 16 Cb 0.04 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.83 1i3m h SER 16 CO -0.09 0.93 -0.13 0.45 -0.87 0.00 0.00 176.83 177.11 1i3m h HIS 17 N 1.19 0.57 -0.30 4.77 -0.00 -1.39 -1.83 115.15 118.17 1i3m h HIS 17 Ca 0.29 -0.09 -0.18 0.00 -0.00 0.00 0.00 60.37 60.39 1i3m h HIS 17 Cb 0.13 -0.15 -0.00 0.00 -0.00 0.00 0.00 27.41 27.39 1i3m h HIS 17 CO 0.02 0.64 -0.51 1.15 -0.00 0.00 0.00 177.93 179.23 1i3m h THR 18 N 0.49 1.28 -0.76 2.45 2.02 0.16 -1.66 112.91 116.88 1i3m h THR 18 Ca 0.09 -1.70 0.07 0.00 0.77 0.00 0.00 66.41 65.64 1i3m h THR 18 Cb 0.52 1.58 -0.06 0.00 -1.74 0.00 0.00 68.15 68.45 1i3m h THR 18 CO 0.03 0.55 0.44 0.58 0.37 0.00 0.00 175.52 177.50 1i3m h VAL 19 N 0.67 0.98 -0.20 3.16 2.07 -0.05 0.29 116.25 123.16 1i3m h VAL 19 Ca 0.02 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.28 1i3m h VAL 19 Cb 1.11 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1i3m h VAL 19 CO 0.11 0.15 0.10 0.25 0.02 0.00 0.00 177.57 178.20 1i3m h LEU 20 N 0.80 0.15 -0.87 2.57 6.46 -1.14 -0.14 115.31 123.15 1i3m h LEU 20 Ca 0.34 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 58.08 1i3m h LEU 20 Cb 0.21 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.08 1i3m h LEU 20 CO -0.19 0.12 0.43 -0.33 -0.62 0.00 0.00 178.44 177.84 1i3m h GLU 21 N 0.22 1.24 -0.37 1.25 4.39 -0.56 -0.84 114.58 119.91 1i3m h GLU 21 Ca 0.08 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1i3m h GLU 21 Cb 0.02 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.42 1i3m h GLU 21 CO -0.06 0.94 0.24 -0.07 -1.16 0.00 0.00 179.01 178.91 1i3m h LEU 22 N 1.23 0.42 -0.68 1.33 3.38 0.12 -1.03 115.31 120.08 1i3m h LEU 22 Ca 0.30 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 1i3m h LEU 22 Cb 0.10 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1i3m h LEU 22 CO -0.04 0.31 0.37 -0.07 0.09 0.00 0.00 178.44 179.10 1i3m h LEU 23 N 0.50 0.86 -1.58 1.67 3.38 -0.65 0.74 115.31 120.22 1i3m h LEU 23 Ca 0.13 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1i3m h LEU 23 Cb -0.06 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 1i3m h LEU 23 CO -0.03 0.71 -0.14 -0.33 0.09 0.00 0.00 178.44 178.75 1i3m h GLU 24 N 0.94 0.00 -0.01 1.13 4.39 -0.69 -2.40 114.58 117.94 1i3m h GLU 24 Ca 0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.94 1i3m h GLU 24 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1i3m h GLU 24 CO -0.04 0.14 -0.09 0.00 -1.16 0.00 0.00 179.01 177.86 1i3m n ALA 25 N -2.21 2.75 -0.39 3.43 0.00 -0.43 -4.92 120.51 118.72 1i3m n ALA 25 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1i3m n ALA 25 Cb 0.32 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1i3m n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i3m n GLY 26 N 1.24 0.78 3.94 0.00 0.00 -0.90 -5.07 105.19 105.18 1i3m n GLY 26 Ca 0.16 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 1i3m n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i3m s TYR 27 N -2.00 3.07 -0.35 1.61 2.02 0.20 -5.01 117.35 116.89 1i3m s TYR 27 Ca 0.00 0.32 0.01 0.00 -0.37 0.00 0.00 57.07 57.03 1i3m s TYR 27 Cb 0.00 -2.72 0.10 0.00 -0.40 0.00 0.00 41.96 38.93 1i3m s TYR 27 CO 0.00 -0.83 0.08 -0.51 -1.57 0.00 0.00 175.55 172.72 1i3m s LEU 28 N -4.86 4.73 0.30 -1.29 1.43 -1.26 -4.31 118.68 113.42 1i3m s LEU 28 Ca 0.55 -1.99 -0.01 0.00 -1.03 0.00 0.00 54.13 51.65 1i3m s LEU 28 Cb -0.10 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 1i3m s LEU 28 CO 0.41 -0.40 0.52 -2.16 0.23 0.00 0.00 176.35 174.95 1i3m s PRO 29 N 1.02 3.54 -0.14 1.29 0.04 -1.26 -1.30 135.00 138.18 1i3m s PRO 29 Ca 0.07 -0.23 -0.01 0.00 0.04 0.00 0.00 61.00 60.88 1i3m s PRO 29 Cb -0.20 -2.69 0.04 0.00 0.04 0.00 0.00 34.50 31.68 1i3m s PRO 29 CO -0.06 0.21 -0.05 0.08 0.04 0.00 0.00 177.00 177.22 1i3m s VAL 30 N -2.16 0.98 -0.09 -0.36 1.01 -0.45 -4.10 120.40 115.23 1i3m s VAL 30 Ca 0.41 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 1i3m s VAL 30 Cb -0.10 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 1i3m s VAL 30 CO 0.33 0.21 -0.01 -0.69 0.00 0.00 0.00 175.10 174.94 1i3m s VAL 31 N 1.71 4.20 0.05 2.92 1.01 0.02 0.01 120.40 130.31 1i3m s VAL 31 Ca 0.03 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 61.78 1i3m s VAL 31 Cb -0.14 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 1i3m s VAL 31 CO -0.08 0.60 -0.18 0.27 0.00 0.00 0.00 175.10 175.71 1i3m s ILE 32 N -0.81 1.46 -0.11 2.22 -4.36 -0.86 -0.94 121.20 117.80 1i3m s ILE 32 Ca 0.12 -1.17 -0.30 0.00 -0.26 0.00 0.00 60.65 59.04 1i3m s ILE 32 Cb -0.11 -1.30 0.10 0.00 1.25 0.00 0.00 42.46 42.40 1i3m s ILE 32 CO 0.02 0.10 0.86 -0.62 0.24 0.00 0.00 174.94 175.54 1i3m s ASP 33 N -1.25 -0.49 0.00 4.36 2.15 -1.21 -0.38 116.67 119.85 1i3m s ASP 33 Ca 0.05 0.53 0.15 0.00 0.43 0.00 0.00 52.55 53.72 1i3m s ASP 33 Cb -0.09 0.40 0.41 0.00 -0.30 0.00 0.00 42.92 43.35 1i3m s ASP 33 CO 0.02 -0.46 1.34 -0.46 -0.17 0.00 0.00 175.17 175.43 1i3m n ASN 34 N 0.79 3.25 -0.44 -0.34 6.94 -1.14 -1.77 115.26 122.55 1i3m n ASN 34 Ca -0.14 -1.97 -0.06 0.00 -0.02 0.00 0.00 54.58 52.39 1i3m n ASN 34 Cb 0.58 -0.30 -0.02 0.00 -2.36 0.00 0.00 39.78 37.67 1i3m n ASN 34 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1i3m n PHE 35 N 0.96 0.00 -0.28 -2.53 3.01 -1.26 -4.87 117.46 112.49 1i3m n PHE 35 Ca 0.16 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.68 1i3m n PHE 35 Cb 0.49 -1.95 0.28 0.00 -0.01 0.00 0.00 39.48 38.29 1i3m n PHE 35 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1i3m h HIS 36 N 0.00 0.97 -0.70 1.38 2.76 -1.99 -3.18 115.15 114.39 1i3m h HIS 36 Ca -0.12 0.03 -0.31 0.00 -2.20 0.00 0.00 60.37 57.77 1i3m h HIS 36 Cb 0.85 -0.32 -0.40 0.00 1.55 0.00 0.00 27.41 29.09 1i3m h HIS 36 CO 0.46 0.49 -1.13 -1.71 -1.30 0.00 0.00 177.93 174.73 1i3m n ASN 37 N -4.50 1.71 -3.87 3.26 5.15 -1.26 -5.07 115.26 110.68 1i3m n ASN 37 Ca 0.14 -2.40 -0.11 0.00 -0.60 0.00 0.00 54.58 51.60 1i3m n ASN 37 Cb 0.24 -0.50 -0.12 0.00 -0.53 0.00 0.00 39.78 38.88 1i3m n ASN 37 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1i3m s ALA 38 N -3.52 -0.21 -0.10 5.20 0.00 -1.20 -4.79 121.76 117.13 1i3m s ALA 38 Ca 0.28 -0.01 -0.20 0.00 0.00 0.00 0.00 51.96 52.03 1i3m s ALA 38 Cb 0.38 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 1i3m s ALA 38 CO -0.01 -0.12 0.56 0.12 0.00 0.00 0.00 175.76 176.31 1i3m s PHE 39 N -0.71 3.53 0.16 0.00 2.19 -1.26 -4.73 117.98 117.16 1i3m s PHE 39 Ca -0.08 1.01 -0.30 0.00 0.33 0.00 0.00 56.93 57.90 1i3m s PHE 39 Cb -0.05 -2.65 -0.07 0.00 -1.31 0.00 0.00 43.02 38.94 1i3m s PHE 39 CO 0.00 0.13 1.06 0.50 1.83 0.00 0.00 175.22 178.75 1i3m s ARG 40 N 0.72 4.63 0.00 10.12 3.52 -1.26 -1.29 118.95 135.39 1i3m s ARG 40 Ca 0.30 1.65 0.00 0.00 -0.13 0.00 0.00 55.73 57.55 1i3m s ARG 40 Cb -0.16 -3.30 0.00 0.00 -1.56 0.00 0.00 34.95 29.93 1i3m s ARG 40 CO 0.13 0.12 0.00 0.41 -0.81 0.00 0.00 175.30 175.15 1i3m n GLY 41 N 2.10 -0.86 0.10 8.12 0.00 -1.01 -4.52 105.19 109.11 1i3m n GLY 41 Ca 0.03 -1.66 0.13 0.00 0.00 0.00 0.00 46.02 44.51 1i3m n GLY 41 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1i3m h GLY 42 N 0.00 0.00 0.00 -0.02 0.00 -1.97 -3.47 103.07 97.61 1i3m h GLY 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1i3m h GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1i3m n GLY 43 N 1.30 3.43 0.12 4.60 0.00 -1.26 -5.05 105.19 108.33 1i3m n GLY 43 Ca 0.05 -1.86 -0.15 0.00 0.00 0.00 0.00 46.02 44.06 1i3m n GLY 43 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1i3m h SER 44 N 0.00 0.36 -4.02 1.61 4.64 -2.02 -3.46 113.55 110.67 1i3m h SER 44 Ca 0.00 -0.65 -0.51 0.00 -0.47 0.00 0.00 61.79 60.17 1i3m h SER 44 Cb 0.00 -0.11 0.06 0.00 -0.31 0.00 0.00 62.40 62.05 1i3m h SER 44 CO 0.00 0.95 0.47 -0.76 -0.87 0.00 0.00 176.83 176.62 1i3m s LEU 45 N -8.72 3.96 0.55 5.97 1.43 -1.26 -4.87 118.68 115.74 1i3m s LEU 45 Ca -0.14 2.28 -0.20 0.00 -1.03 0.00 0.00 54.13 55.03 1i3m s LEU 45 Cb 0.03 -4.31 -0.05 0.00 0.03 0.00 0.00 46.19 41.90 1i3m s LEU 45 CO 0.77 -0.97 1.23 -2.84 0.23 0.00 0.00 176.35 174.76 1i3m s PRO 46 N -2.81 3.21 0.25 1.29 0.02 -1.26 -2.42 135.00 133.28 1i3m s PRO 46 Ca 0.65 1.90 -0.04 0.00 0.02 0.00 0.00 61.00 63.53 1i3m s PRO 46 Cb -0.28 -2.12 0.47 0.00 0.02 0.00 0.00 34.50 32.59 1i3m s PRO 46 CO 0.33 -1.03 1.71 1.49 -0.33 0.00 0.00 177.00 179.17 1i3m h GLU 47 N 1.30 0.36 -0.56 5.54 4.57 -1.42 0.82 114.58 125.18 1i3m h GLU 47 Ca -0.50 -0.02 0.09 0.00 -1.18 0.00 0.00 59.36 57.75 1i3m h GLU 47 Cb 1.29 -0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 29.72 1i3m h GLU 47 CO 0.57 0.24 0.17 0.66 -1.18 0.00 0.00 179.01 179.47 1i3m h SER 48 N 0.37 0.12 0.75 1.04 4.64 -1.87 0.72 113.55 119.33 1i3m h SER 48 Ca 0.42 0.08 -0.17 0.00 -0.47 0.00 0.00 61.79 61.65 1i3m h SER 48 Cb 0.67 0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.83 1i3m h SER 48 CO -0.45 0.08 -0.79 -0.07 -0.87 0.00 0.00 176.83 174.73 1i3m h LEU 49 N 0.33 0.04 -0.81 5.97 3.38 -1.58 -1.01 115.31 121.63 1i3m h LEU 49 Ca 0.28 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1i3m h LEU 49 Cb 0.37 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1i3m h LEU 49 CO -0.32 0.82 0.52 -0.09 0.09 0.00 0.00 178.44 179.46 1i3m h ARG 50 N 0.02 1.08 -0.43 1.13 2.43 0.02 0.36 114.38 118.99 1i3m h ARG 50 Ca -0.01 -0.08 -0.09 0.00 -0.81 0.00 0.00 59.98 58.99 1i3m h ARG 50 Cb 1.40 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 1i3m h ARG 50 CO 0.11 0.73 -0.08 0.00 -1.51 0.00 0.00 179.97 179.22 1i3m h ARG 51 N 1.11 0.82 -0.80 0.20 3.08 -0.72 -1.70 114.38 116.37 1i3m h ARG 51 Ca 0.30 -0.30 0.01 0.00 0.07 0.00 0.00 59.98 60.05 1i3m h ARG 51 Cb -0.10 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.86 1i3m h ARG 51 CO -0.06 0.92 0.53 0.28 -1.07 0.00 0.00 179.97 180.57 1i3m h VAL 52 N 0.65 1.19 -0.18 2.04 2.07 -0.64 0.37 116.25 121.75 1i3m h VAL 52 Ca 0.11 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1i3m h VAL 52 Cb 0.61 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1i3m h VAL 52 CO 0.04 0.20 0.09 -0.61 0.02 0.00 0.00 177.57 177.30 1i3m h GLN 53 N 1.07 0.26 -0.36 1.57 4.15 -0.67 0.64 115.11 121.76 1i3m h GLN 53 Ca 0.30 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.69 1i3m h GLN 53 Cb -0.10 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 1i3m h GLN 53 CO -0.07 0.29 0.22 1.49 -1.93 0.00 0.00 178.83 178.83 1i3m h GLU 54 N 0.16 0.43 -0.44 1.69 4.22 -0.51 0.35 114.58 120.48 1i3m h GLU 54 Ca 0.06 -0.03 -0.09 0.00 0.08 0.00 0.00 59.36 59.38 1i3m h GLU 54 Cb 0.12 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1i3m h GLU 54 CO -0.01 0.29 -0.10 -0.07 -2.18 0.00 0.00 179.01 176.94 1i3m h LEU 55 N 0.44 0.77 0.00 1.64 3.38 0.01 -3.19 115.31 118.37 1i3m h LEU 55 Ca 0.14 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1i3m h LEU 55 Cb -0.01 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1i3m h LEU 55 CO -0.06 0.90 -1.19 0.35 0.09 0.00 0.00 178.44 178.53 1i3m n THR 56 N -4.17 0.39 -1.43 0.22 -2.24 0.19 -4.94 114.28 102.30 1i3m n THR 56 Ca 0.01 -0.46 -0.10 0.00 -2.27 0.00 0.00 64.05 61.23 1i3m n THR 56 Cb 0.36 -0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.40 1i3m n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i3m n GLY 57 N 1.24 0.99 3.34 3.38 0.00 0.12 -5.00 105.19 109.26 1i3m n GLY 57 Ca -0.00 -0.55 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 1i3m n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i3m s ARG 58 N -3.11 1.51 0.41 1.61 0.52 -1.19 -5.05 118.95 113.65 1i3m s ARG 58 Ca 0.00 -1.18 -0.23 0.00 -0.52 0.00 0.00 55.73 53.80 1i3m s ARG 58 Cb 0.00 -1.81 -0.10 0.00 0.52 0.00 0.00 34.95 33.57 1i3m s ARG 58 CO 0.00 0.45 1.00 0.45 0.02 0.00 0.00 175.30 177.22 1i3m s SER 59 N -1.60 6.84 -0.28 0.23 0.15 -1.26 -4.50 113.70 113.27 1i3m s SER 59 Ca 0.11 1.89 -0.05 0.00 0.70 0.00 0.00 55.95 58.60 1i3m s SER 59 Cb -0.10 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.66 1i3m s SER 59 CO 0.04 -0.43 0.04 -0.69 1.20 0.00 0.00 173.24 173.40 1i3m s VAL 60 N -1.84 3.58 -0.28 4.45 1.01 -1.26 -4.95 120.40 121.11 1i3m s VAL 60 Ca 0.59 -0.86 -0.25 0.00 0.00 0.00 0.00 61.98 61.46 1i3m s VAL 60 Cb -0.17 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1i3m s VAL 60 CO 0.22 0.09 0.88 -0.70 0.00 0.00 0.00 175.10 175.58 1i3m s GLU 61 N 1.43 4.07 0.04 2.72 2.56 -1.26 -5.02 118.70 123.24 1i3m s GLU 61 Ca 0.01 0.85 0.02 0.00 0.00 0.00 0.00 54.97 55.86 1i3m s GLU 61 Cb -0.17 -3.70 -0.02 0.00 2.00 0.00 0.00 34.13 32.24 1i3m s GLU 61 CO 0.00 -0.68 -0.08 0.12 -0.56 0.00 0.00 175.26 174.06 1i3m s PHE 62 N 3.09 0.71 -0.05 5.30 5.36 -1.26 -0.80 117.98 130.34 1i3m s PHE 62 Ca 0.37 -0.43 -0.01 0.00 -0.96 0.00 0.00 56.93 55.90 1i3m s PHE 62 Cb -0.14 -0.43 0.03 0.00 -0.34 0.00 0.00 43.02 42.14 1i3m s PHE 62 CO 0.11 -0.05 0.03 -2.00 -1.46 0.00 0.00 175.22 171.85 1i3m s GLU 63 N -1.35 0.23 -0.26 10.12 2.56 -0.11 -4.95 118.70 124.93 1i3m s GLU 63 Ca -0.07 0.24 -0.29 0.00 0.00 0.00 0.00 54.97 54.85 1i3m s GLU 63 Cb -0.09 -0.68 0.01 0.00 2.00 0.00 0.00 34.13 35.37 1i3m s GLU 63 CO 0.01 -0.29 1.12 -2.00 -0.56 0.00 0.00 175.26 173.53 1i3m s GLU 64 N 1.94 4.14 0.06 4.30 2.12 -1.26 -3.31 118.70 126.69 1i3m s GLU 64 Ca 0.03 1.28 -0.27 0.00 0.36 0.00 0.00 54.97 56.37 1i3m s GLU 64 Cb -0.12 -3.73 0.09 0.00 0.26 0.00 0.00 34.13 30.62 1i3m s GLU 64 CO -0.04 -0.81 0.93 0.00 -0.54 0.00 0.00 175.26 174.80 1i3m s MET 65 N 3.55 0.97 -0.10 4.30 0.23 -0.73 -4.94 119.30 122.58 1i3m s MET 65 Ca 0.48 -0.45 -0.02 0.00 -1.03 0.00 0.00 55.69 54.67 1i3m s MET 65 Cb -0.15 0.38 -0.03 0.00 -1.53 0.00 0.00 34.83 33.50 1i3m s MET 65 CO 0.13 -0.43 -0.01 0.34 -2.03 0.00 0.00 175.02 173.02 1i3m s ASP 66 N -2.69 5.16 0.56 -1.18 -1.08 -1.26 -2.91 116.67 113.27 1i3m s ASP 66 Ca 0.08 0.09 0.37 0.00 -0.52 0.00 0.00 52.55 52.57 1i3m s ASP 66 Cb -0.01 -1.53 1.89 0.00 -1.46 0.00 0.00 42.92 41.82 1i3m s ASP 66 CO -0.04 0.33 2.13 0.16 0.52 0.00 0.00 175.17 178.27 1i3m h ILE 67 N 4.35 0.00 -0.00 4.11 3.07 -1.98 -1.55 117.51 125.51 1i3m h ILE 67 Ca -0.47 -0.14 0.00 0.00 1.55 0.00 0.00 64.86 65.80 1i3m h ILE 67 Cb 1.19 1.04 0.00 0.00 -0.27 0.00 0.00 36.82 38.77 1i3m h ILE 67 CO 0.56 0.00 -0.04 0.18 -1.05 0.00 0.00 178.15 177.81 1i3m n LEU 68 N -2.89 0.14 -4.38 0.16 4.77 -1.26 -4.60 117.00 108.93 1i3m n LEU 68 Ca -0.02 0.20 -0.45 0.00 -0.03 0.00 0.00 56.01 55.71 1i3m n LEU 68 Cb 0.13 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 40.93 1i3m n LEU 68 CO 0.20 0.03 0.51 -0.62 -1.33 0.00 0.00 177.39 176.18 1i3m s ASP 69 N -2.54 6.39 0.25 -1.43 -1.08 -0.59 -4.91 116.67 112.76 1i3m s ASP 69 Ca 0.29 -1.82 -0.03 0.00 -0.52 0.00 0.00 52.55 50.46 1i3m s ASP 69 Cb 0.20 -2.30 0.42 0.00 -1.46 0.00 0.00 42.92 39.78 1i3m s ASP 69 CO 0.47 -0.99 1.82 -0.61 0.52 0.00 0.00 175.17 176.38 1i3m h GLN 70 N 8.82 0.83 -0.31 4.34 4.15 -1.86 -1.36 115.11 129.73 1i3m h GLN 70 Ca -0.13 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.24 1i3m h GLN 70 Cb 1.07 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.55 1i3m h GLN 70 CO 1.03 0.55 0.19 0.78 -1.93 0.00 0.00 178.83 179.45 1i3m h GLY 71 N 0.86 0.46 1.43 2.39 0.00 -1.97 -0.51 103.07 105.73 1i3m h GLY 71 Ca 0.41 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.51 1i3m h GLY 71 CO -0.24 0.18 0.10 0.00 0.00 0.00 0.00 176.54 176.58 1i3m h ALA 72 N 1.08 1.29 -0.47 3.60 0.00 -1.82 -1.05 119.26 121.88 1i3m h ALA 72 Ca 0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1i3m h ALA 72 Cb 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1i3m h ALA 72 CO -0.02 0.50 0.13 -0.07 0.00 0.00 0.00 179.25 179.79 1i3m h LEU 73 N 0.70 0.70 -0.12 0.00 3.38 -0.93 0.14 115.31 119.18 1i3m h LEU 73 Ca 0.15 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1i3m h LEU 73 Cb 0.28 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1i3m h LEU 73 CO -0.00 0.73 0.06 1.56 0.09 0.00 0.00 178.44 180.89 1i3m h GLN 74 N 0.64 0.13 -0.81 1.13 4.20 -0.67 -0.43 115.11 119.30 1i3m h GLN 74 Ca 0.15 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 1i3m h GLN 74 Cb 0.29 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 1i3m h GLN 74 CO -0.00 0.09 0.40 0.00 -0.67 0.00 0.00 178.83 178.65 1i3m h ARG 75 N 0.14 1.15 -0.40 1.46 3.08 -0.98 -2.17 114.38 116.65 1i3m h ARG 75 Ca 0.04 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 1i3m h ARG 75 Cb -0.00 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 1i3m h ARG 75 CO -0.02 0.88 0.24 1.25 -1.07 0.00 0.00 179.97 181.25 1i3m h LEU 76 N 1.14 0.49 -1.49 3.04 5.85 -0.19 -1.14 115.31 123.01 1i3m h LEU 76 Ca 0.28 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1i3m h LEU 76 Cb 0.09 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1i3m h LEU 76 CO -0.04 0.40 0.00 -0.26 -0.34 0.00 0.00 178.44 178.21 1i3m h PHE 77 N 0.53 0.00 0.20 1.25 -1.00 -0.93 -2.07 116.94 114.93 1i3m h PHE 77 Ca 0.14 0.00 -0.32 0.00 2.81 0.00 0.00 57.97 60.60 1i3m h PHE 77 Cb 0.01 0.00 0.02 0.00 3.61 0.00 0.00 35.95 39.59 1i3m h PHE 77 CO -0.03 0.00 -1.49 0.87 -1.61 0.00 0.00 178.31 176.04 1i3m h LYS 78 N 0.00 0.43 -0.47 1.51 1.57 -0.91 -3.36 116.57 115.35 1i3m h LYS 78 Ca 0.00 -0.73 -0.14 0.00 -1.87 0.00 0.00 60.65 57.92 1i3m h LYS 78 Cb 0.50 0.27 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 1i3m h LYS 78 CO 0.00 1.34 -0.24 -0.22 -0.57 0.00 0.00 179.45 179.76 1i3m h LYS 79 N 0.12 0.98 -6.48 3.15 3.64 -0.92 -3.45 116.57 113.61 1i3m h LYS 79 Ca -0.25 -0.43 -0.64 0.00 -1.27 0.00 0.00 60.65 58.06 1i3m h LYS 79 Cb 2.10 -0.03 -0.16 0.00 -0.41 0.00 0.00 32.23 33.73 1i3m h LYS 79 CO 0.23 1.10 -0.79 0.71 -2.27 0.00 0.00 179.45 178.44 1i3m s TYR 80 N -4.63 2.37 -0.47 1.91 2.02 -0.80 -5.10 117.35 112.64 1i3m s TYR 80 Ca -0.11 -0.32 -0.12 0.00 -0.37 0.00 0.00 57.07 56.15 1i3m s TYR 80 Cb 0.12 -1.13 0.10 0.00 -0.40 0.00 0.00 41.96 40.65 1i3m s TYR 80 CO 0.87 0.56 0.36 -1.12 -1.57 0.00 0.00 175.55 174.65 1i3m s SER 81 N -2.93 5.85 0.15 2.29 0.01 -1.26 -4.65 113.70 113.15 1i3m s SER 81 Ca 0.24 -1.68 -0.04 0.00 1.31 0.00 0.00 55.95 55.78 1i3m s SER 81 Cb -0.07 -2.07 -0.05 0.00 0.21 0.00 0.00 66.02 64.03 1i3m s SER 81 CO 0.12 -0.68 0.37 -0.36 0.41 0.00 0.00 173.24 173.11 1i3m s PHE 82 N 1.47 3.48 -0.03 2.43 2.99 -1.26 -2.84 117.98 124.21 1i3m s PHE 82 Ca 0.04 0.50 0.17 0.00 0.00 0.00 0.00 56.93 57.64 1i3m s PHE 82 Cb -0.26 -1.97 -0.26 0.00 0.00 0.00 0.00 43.02 40.54 1i3m s PHE 82 CO 0.02 0.43 0.35 0.00 -0.00 0.00 0.00 175.22 176.02 1i3m n MET 83 N -0.03 0.57 -3.58 0.44 0.00 0.19 -4.69 117.12 110.01 1i3m n MET 83 Ca -0.03 -0.14 -0.09 0.00 0.00 0.00 0.00 57.70 57.44 1i3m n MET 83 Cb 0.52 -1.40 -0.02 0.00 0.00 0.00 0.00 33.22 32.32 1i3m n MET 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1i3m s ALA 84 N -3.12 -1.59 -0.04 3.17 0.00 -1.22 -4.58 121.76 114.38 1i3m s ALA 84 Ca -0.06 0.41 0.02 0.00 0.00 0.00 0.00 51.96 52.32 1i3m s ALA 84 Cb 0.10 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.96 1i3m s ALA 84 CO 0.70 -0.84 -0.06 0.08 0.00 0.00 0.00 175.76 175.63 1i3m s VAL 85 N -3.55 0.64 -0.27 0.00 1.01 -0.65 -0.86 120.40 116.72 1i3m s VAL 85 Ca 0.06 -0.22 -0.05 0.00 0.00 0.00 0.00 61.98 61.77 1i3m s VAL 85 Cb -0.02 -0.62 0.01 0.00 0.00 0.00 0.00 36.38 35.75 1i3m s VAL 85 CO -0.06 0.23 0.02 -0.63 0.00 0.00 0.00 175.10 174.67 1i3m s ILE 86 N 0.62 3.58 -0.72 2.22 1.01 0.92 -0.94 121.20 127.89 1i3m s ILE 86 Ca -0.09 -0.75 -0.14 0.00 0.00 0.00 0.00 60.65 59.67 1i3m s ILE 86 Cb -0.12 -2.81 0.19 0.00 0.01 0.00 0.00 42.46 39.73 1i3m s ILE 86 CO 0.01 0.17 0.66 -2.28 0.00 0.00 0.00 174.94 173.49 1i3m s HIS 87 N 1.45 3.58 -0.12 3.97 2.46 -0.07 -1.10 115.29 125.46 1i3m s HIS 87 Ca 0.02 -1.80 0.19 0.00 0.47 0.00 0.00 55.06 53.95 1i3m s HIS 87 Cb -0.17 -3.78 -0.23 0.00 -0.13 0.00 0.00 32.58 28.28 1i3m s HIS 87 CO -0.00 -0.99 0.50 1.19 -2.47 0.00 0.00 174.74 172.96 1i3m n PHE 88 N 4.38 0.38 -1.69 3.88 3.72 -0.82 -3.05 117.46 124.26 1i3m n PHE 88 Ca 0.04 0.12 -0.44 0.00 -0.05 0.00 0.00 57.45 57.12 1i3m n PHE 88 Cb 0.44 -0.87 -0.04 0.00 -0.94 0.00 0.00 39.48 38.08 1i3m n PHE 88 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1i3m n ALA 89 N -2.44 1.93 0.00 4.37 0.00 -1.14 -4.79 120.51 118.44 1i3m n ALA 89 Ca -0.14 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1i3m n ALA 89 Cb 0.83 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.85 1i3m n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i3m n GLY 90 N 3.67 -0.48 3.79 0.00 0.00 -1.26 -4.94 105.19 105.97 1i3m n GLY 90 Ca 0.17 -1.16 -0.36 0.00 0.00 0.00 0.00 46.02 44.67 1i3m n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i3m s LEU 91 N 0.00 4.04 0.35 0.99 1.43 -1.26 -5.04 118.68 119.19 1i3m s LEU 91 Ca 0.00 0.33 0.09 0.00 -1.03 0.00 0.00 54.13 53.52 1i3m s LEU 91 Cb 0.00 -1.96 -0.06 0.00 0.03 0.00 0.00 46.19 44.19 1i3m s LEU 91 CO 0.00 0.39 -0.05 -1.59 0.23 0.00 0.00 176.35 175.33 1i3m s LYS 92 N -0.93 1.92 -0.07 1.70 -2.85 -1.26 -4.98 119.74 113.28 1i3m s LYS 92 Ca 0.14 -1.89 -0.30 0.00 -1.00 0.00 0.00 55.97 52.93 1i3m s LYS 92 Cb -0.12 -1.78 -0.04 0.00 -2.06 0.00 0.00 37.83 33.83 1i3m s LYS 92 CO 0.03 0.12 1.40 0.00 0.10 0.00 0.00 175.35 177.00 1i3m s ALA 93 N -2.59 3.61 -0.37 0.59 0.00 -1.26 -4.67 121.76 117.07 1i3m s ALA 93 Ca 0.34 0.75 0.07 0.00 0.00 0.00 0.00 51.96 53.11 1i3m s ALA 93 Cb 0.02 -3.63 0.62 0.00 0.00 0.00 0.00 23.12 20.13 1i3m s ALA 93 CO 0.18 -1.09 1.73 -1.33 0.00 0.00 0.00 175.76 175.25 1i3m n MET 94 N 6.12 2.32 -0.32 0.00 2.81 -1.26 -4.77 117.12 122.02 1i3m n MET 94 Ca 0.14 -3.08 0.00 0.00 -1.81 0.00 0.00 57.70 52.95 1i3m n MET 94 Cb 0.44 -2.05 0.00 0.00 -0.71 0.00 0.00 33.22 30.90 1i3m n MET 94 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1i3m n GLY 95 N -0.99 2.03 0.20 3.03 0.00 -1.26 -4.91 105.19 103.28 1i3m n GLY 95 Ca 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.44 1i3m n GLY 95 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1i3m h GLU 96 N 2.05 0.50 -0.67 1.61 5.08 -1.87 -3.38 114.58 117.89 1i3m h GLU 96 Ca 0.00 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.42 1i3m h GLU 96 Cb 0.00 -0.11 -0.10 0.00 0.50 0.00 0.00 28.75 29.04 1i3m h GLU 96 CO 0.00 0.33 -0.30 -1.13 -1.00 0.00 0.00 179.01 176.90 1i3m n SER 97 N -4.86 -0.52 -0.23 1.42 3.41 -1.26 0.65 113.62 112.22 1i3m n SER 97 Ca 0.03 1.18 0.25 0.00 -0.26 0.00 0.00 58.87 60.08 1i3m n SER 97 Cb 0.10 -0.23 0.62 0.00 -0.26 0.00 0.00 64.21 64.44 1i3m n SER 97 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1i3m h VAL 98 N 0.00 0.58 0.00 -3.33 2.07 -1.97 -1.14 116.25 112.46 1i3m h VAL 98 Ca 0.20 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1i3m h VAL 98 Cb 0.36 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1i3m h VAL 98 CO -0.66 0.04 -0.83 0.00 0.02 0.00 0.00 177.57 176.14 1i3m n GLN 99 N -4.40 0.03 -2.94 1.57 1.13 0.21 -4.64 117.38 108.34 1i3m n GLN 99 Ca 0.20 -0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 55.13 1i3m n GLN 99 Cb 0.89 -1.51 0.01 0.00 0.11 0.00 0.00 30.24 29.74 1i3m n GLN 99 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1i3m n LYS 100 N -1.54 1.05 -0.31 -1.09 2.85 -0.44 -5.00 118.16 113.68 1i3m n LYS 100 Ca 0.04 -3.14 0.10 0.00 -1.05 0.00 0.00 58.31 54.27 1i3m n LYS 100 Cb 0.34 -1.41 0.23 0.00 -0.65 0.00 0.00 35.03 33.55 1i3m n LYS 100 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 1i3m h PRO 101 N 2.95 0.07 -0.82 -1.58 0.14 -1.79 -1.23 132.00 129.74 1i3m h PRO 101 Ca -0.01 -0.00 0.01 0.00 0.14 0.00 0.00 66.00 66.14 1i3m h PRO 101 Cb 1.07 -0.02 -0.04 0.00 0.14 0.00 0.00 31.00 32.15 1i3m h PRO 101 CO 0.44 0.04 0.54 -0.07 0.14 0.00 0.00 178.00 179.10 1i3m h LEU 102 N 0.07 0.93 -0.59 1.56 3.38 -1.94 0.58 115.31 119.29 1i3m h LEU 102 Ca 0.52 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.38 1i3m h LEU 102 Cb 0.99 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1i3m h LEU 102 CO -0.80 0.67 0.05 0.44 0.09 0.00 0.00 178.44 178.89 1i3m h ASP 103 N 1.10 0.98 -0.18 -0.43 3.45 -1.64 0.17 116.42 119.86 1i3m h ASP 103 Ca 0.31 -0.28 -0.03 0.00 0.43 0.00 0.00 57.03 57.46 1i3m h ASP 103 Cb -0.10 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.41 1i3m h ASP 103 CO -0.07 1.01 0.01 1.88 -1.57 0.00 0.00 179.24 180.50 1i3m h TYR 104 N 0.90 0.35 -0.57 4.55 -1.99 -1.29 -1.00 116.97 117.93 1i3m h TYR 104 Ca 0.17 -0.06 -0.06 0.00 2.00 0.00 0.00 58.73 60.79 1i3m h TYR 104 Cb 0.48 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 39.10 1i3m h TYR 104 CO 0.04 0.52 0.13 1.88 -0.00 0.00 0.00 178.16 180.73 1i3m h TYR 105 N 0.08 0.97 0.93 4.88 0.99 -0.80 0.24 116.97 124.26 1i3m h TYR 105 Ca 0.05 -0.12 -0.05 0.00 2.00 0.00 0.00 58.73 60.62 1i3m h TYR 105 Cb 0.37 -0.27 0.01 0.00 1.00 0.00 0.00 36.73 37.84 1i3m h TYR 105 CO 0.03 0.83 -0.45 -0.09 -0.00 0.00 0.00 178.16 178.49 1i3m h ARG 106 N 0.83 -1.20 -0.26 4.88 2.43 -0.59 0.52 114.38 120.99 1i3m h ARG 106 Ca 0.18 0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 1i3m h ARG 106 Cb 0.35 0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1i3m h ARG 106 CO 0.00 -0.80 0.09 0.28 -1.51 0.00 0.00 179.97 178.03 1i3m h VAL 107 N -1.27 1.19 0.04 0.20 2.07 -1.17 -0.92 116.25 116.38 1i3m h VAL 107 Ca -0.13 -0.60 -0.09 0.00 0.82 0.00 0.00 66.70 66.70 1i3m h VAL 107 Cb 0.96 1.09 0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1i3m h VAL 107 CO 0.21 0.20 -0.39 0.78 0.02 0.00 0.00 177.57 178.38 1i3m h ASN 108 N 0.26 0.27 0.00 0.57 2.35 -0.61 -2.83 115.58 115.60 1i3m h ASN 108 Ca 0.08 -0.88 0.00 0.00 -0.55 0.00 0.00 56.30 54.95 1i3m h ASN 108 Cb 0.22 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1i3m h ASN 108 CO -0.00 1.13 -0.04 -0.07 -1.65 0.00 0.00 177.43 176.79 1i3m h LEU 109 N -0.54 0.00 -0.86 1.61 3.38 -0.99 -2.77 115.31 115.13 1i3m h LEU 109 Ca -0.06 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1i3m h LEU 109 Cb 1.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 1i3m h LEU 109 CO 0.08 0.50 0.57 0.74 0.09 0.00 0.00 178.44 180.41 1i3m h THR 110 N -0.95 1.20 -0.50 0.22 2.02 -0.65 0.42 112.91 114.67 1i3m h THR 110 Ca 0.00 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.78 1i3m h THR 110 Cb 0.04 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.38 1i3m h THR 110 CO 0.00 0.21 0.31 1.23 0.37 0.00 0.00 175.52 177.64 1i3m h GLY 111 N 1.15 0.72 1.05 2.16 0.00 -0.93 -0.41 103.07 106.83 1i3m h GLY 111 Ca 0.32 -0.29 -0.08 0.00 0.00 0.00 0.00 47.33 47.28 1i3m h GLY 111 CO -0.08 0.29 0.10 -0.84 0.00 0.00 0.00 176.54 176.00 1i3m h THR 112 N 0.67 1.26 -0.53 4.70 2.02 -1.14 -1.79 112.91 118.10 1i3m h THR 112 Ca 0.18 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.32 1i3m h THR 112 Cb -0.02 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1i3m h THR 112 CO -0.04 0.38 0.27 0.40 0.37 0.00 0.00 175.52 176.91 1i3m h ILE 113 N 0.97 1.19 -1.00 3.11 2.04 -0.62 0.81 117.51 124.01 1i3m h ILE 113 Ca 0.19 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.56 1i3m h ILE 113 Cb 0.44 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 1i3m h ILE 113 CO 0.01 0.21 0.66 1.56 0.00 0.00 0.00 178.15 180.59 1i3m h GLN 114 N 0.71 1.29 -0.37 2.37 4.20 -0.91 0.39 115.11 122.79 1i3m h GLN 114 Ca 0.19 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.77 1i3m h GLN 114 Cb 0.09 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 1i3m h GLN 114 CO -0.03 0.85 0.05 1.25 -0.67 0.00 0.00 178.83 180.29 1i3m h LEU 115 N 1.33 0.60 -1.15 1.46 5.85 -0.86 -2.15 115.31 120.39 1i3m h LEU 115 Ca 0.38 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1i3m h LEU 115 Cb -0.11 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 1i3m h LEU 115 CO -0.09 0.72 0.26 -0.07 -0.34 0.00 0.00 178.44 178.91 1i3m h LEU 116 N 0.46 0.77 -0.61 2.25 3.38 -0.16 -0.40 115.31 121.01 1i3m h LEU 116 Ca 0.11 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1i3m h LEU 116 Cb 0.38 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1i3m h LEU 116 CO 0.01 0.68 0.21 -0.33 0.09 0.00 0.00 178.44 179.10 1i3m h GLU 117 N 0.85 0.94 -0.43 1.13 5.08 -0.61 -0.81 114.58 120.73 1i3m h GLU 117 Ca 0.21 -0.19 -0.14 0.00 -1.00 0.00 0.00 59.36 58.24 1i3m h GLU 117 Cb 0.13 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1i3m h GLU 117 CO -0.02 0.82 -0.27 0.97 -1.00 0.00 0.00 179.01 179.51 1i3m h ILE 118 N 0.87 1.27 -0.41 3.13 6.09 -1.16 0.25 117.51 127.55 1i3m h ILE 118 Ca 0.20 -1.43 0.02 0.00 -1.37 0.00 0.00 64.86 62.28 1i3m h ILE 118 Cb 0.26 1.22 -0.03 0.00 0.47 0.00 0.00 36.82 38.74 1i3m h ILE 118 CO -0.01 0.49 0.24 0.24 -3.07 0.00 0.00 178.15 176.03 1i3m h MET 119 N 0.79 0.47 -0.10 2.19 2.86 -0.81 -1.05 114.93 119.28 1i3m h MET 119 Ca 0.09 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1i3m h MET 119 Cb 0.84 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 1i3m h MET 119 CO 0.07 0.31 0.06 -0.22 1.06 0.00 0.00 176.91 178.19 1i3m h LYS 120 N 0.48 0.12 -0.97 1.72 3.64 -0.80 0.41 116.57 121.17 1i3m h LYS 120 Ca 0.16 -0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.69 1i3m h LYS 120 Cb 0.01 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 31.72 1i3m h LYS 120 CO -0.08 0.08 0.61 0.00 -2.27 0.00 0.00 179.45 177.79 1i3m h ALA 121 N 1.04 1.69 -0.39 5.00 0.00 -0.07 -1.64 119.26 124.90 1i3m h ALA 121 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1i3m h ALA 121 Cb -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1i3m h ALA 121 CO -0.02 0.02 0.00 0.72 0.00 0.00 0.00 179.25 179.97 1i3m n HIS 122 N -4.65 0.51 -1.98 0.00 8.25 -0.44 -4.94 115.22 111.98 1i3m n HIS 122 Ca 0.20 -0.25 -0.11 0.00 -0.26 0.00 0.00 57.72 57.30 1i3m n HIS 122 Cb 0.48 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.57 1i3m n HIS 122 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i3m n GLY 123 N 1.44 0.26 3.26 -1.41 0.00 -0.27 -4.95 105.19 103.53 1i3m n GLY 123 Ca 0.19 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 1i3m n GLY 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i3m s VAL 124 N -2.52 5.35 -0.78 1.61 1.01 0.13 -4.94 120.40 120.27 1i3m s VAL 124 Ca 0.00 -3.31 -0.01 0.00 0.00 0.00 0.00 61.98 58.66 1i3m s VAL 124 Cb 0.00 -4.27 0.38 0.00 0.00 0.00 0.00 36.38 32.49 1i3m s VAL 124 CO 0.00 -1.11 1.96 0.29 0.00 0.00 0.00 175.10 176.24 1i3m n LYS 125 N 2.92 2.79 -3.67 2.72 5.02 -1.26 -4.46 118.16 122.23 1i3m n LYS 125 Ca 0.20 -3.55 -0.25 0.00 -2.02 0.00 0.00 58.31 52.69 1i3m n LYS 125 Cb 0.40 -2.27 -0.17 0.00 -0.02 0.00 0.00 35.03 32.97 1i3m n LYS 125 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1i3m s ASN 126 N -1.42 2.19 0.05 4.39 0.01 -1.25 -1.21 114.94 117.70 1i3m s ASN 126 Ca 0.54 -0.49 0.04 0.00 -0.71 0.00 0.00 52.86 52.25 1i3m s ASN 126 Cb 0.45 -0.33 -0.02 0.00 0.41 0.00 0.00 41.25 41.75 1i3m s ASN 126 CO -0.32 -0.30 -0.13 -0.22 -1.51 0.00 0.00 177.10 174.62 1i3m s LEU 127 N 2.06 2.21 -0.17 0.60 2.96 -0.63 -1.63 118.68 124.08 1i3m s LEU 127 Ca 0.02 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 1i3m s LEU 127 Cb -0.15 -0.49 0.02 0.00 0.50 0.00 0.00 46.19 46.06 1i3m s LEU 127 CO -0.07 -0.04 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.03 1i3m s VAL 128 N -1.04 2.10 -0.07 1.68 1.01 -0.11 -0.93 120.40 123.04 1i3m s VAL 128 Ca -0.01 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.05 1i3m s VAL 128 Cb -0.09 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1i3m s VAL 128 CO 0.01 0.54 -0.11 0.12 0.00 0.00 0.00 175.10 175.66 1i3m s PHE 129 N 1.14 2.81 -0.84 5.22 2.19 0.10 -0.89 117.98 127.70 1i3m s PHE 129 Ca 0.01 -0.18 -0.25 0.00 0.33 0.00 0.00 56.93 56.84 1i3m s PHE 129 Cb -0.14 -1.70 0.04 0.00 -1.31 0.00 0.00 43.02 39.91 1i3m s PHE 129 CO -0.09 0.16 1.32 -1.12 1.83 0.00 0.00 175.22 177.32 1i3m s SER 130 N -0.54 6.30 0.00 6.13 0.01 -1.17 -1.54 113.70 122.89 1i3m s SER 130 Ca 0.08 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.43 1i3m s SER 130 Cb -0.12 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1i3m s SER 130 CO 0.02 -1.67 0.00 -0.24 0.41 0.00 0.00 173.24 171.76 1i3m n SER 131 N 8.99 0.13 -3.67 2.44 2.88 0.33 -4.97 113.62 119.73 1i3m n SER 131 Ca 0.14 -0.76 -0.15 0.00 -1.33 0.00 0.00 58.87 56.77 1i3m n SER 131 Cb 0.49 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.88 1i3m n SER 131 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1i3m s SER 132 N -0.97 -0.37 0.10 -3.46 0.15 -1.26 -2.68 113.70 105.21 1i3m s SER 132 Ca 0.00 0.35 0.09 0.00 0.70 0.00 0.00 55.95 57.08 1i3m s SER 132 Cb 0.00 0.42 0.43 0.00 -1.71 0.00 0.00 66.02 65.16 1i3m s SER 132 CO 0.00 -0.49 1.26 0.00 1.20 0.00 0.00 173.24 175.21 1i3m n ALA 133 N 1.22 1.13 0.30 5.45 0.00 0.16 -1.75 120.51 127.02 1i3m n ALA 133 Ca -0.20 0.05 0.16 0.00 0.00 0.00 0.00 53.44 53.45 1i3m n ALA 133 Cb 0.56 -1.13 0.96 0.00 0.00 0.00 0.00 19.45 19.84 1i3m n ALA 133 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1i3m h THR 134 N 0.00 0.42 0.00 0.00 1.35 -1.94 -1.80 112.91 110.94 1i3m h THR 134 Ca 0.00 -0.07 -0.01 0.00 -0.55 0.00 0.00 66.41 65.79 1i3m h THR 134 Cb 0.05 1.04 -0.00 0.00 -1.73 0.00 0.00 68.15 67.51 1i3m h THR 134 CO 0.00 0.01 -0.04 -0.37 -0.25 0.00 0.00 175.52 174.88 1i3m h VAL 135 N 0.00 0.24 0.00 6.82 -1.51 -1.62 -1.68 116.25 118.50 1i3m h VAL 135 Ca -0.00 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 65.21 1i3m h VAL 135 Cb 0.04 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 1i3m h VAL 135 CO 0.00 0.04 0.00 1.88 -1.23 0.00 0.00 177.57 178.26 1i3m h TYR 136 N 0.00 0.00 -0.36 5.19 -1.99 -1.54 -0.74 116.97 117.53 1i3m h TYR 136 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1i3m h TYR 136 Cb 0.20 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.93 1i3m h TYR 136 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 1i3m n GLY 137 N 0.60 -0.33 3.65 3.88 0.00 -0.63 -4.62 105.19 107.74 1i3m n GLY 137 Ca 0.03 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 1i3m n GLY 137 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1i3m s ASN 138 N -4.00 6.45 0.15 1.61 3.04 -1.26 -4.88 114.94 116.06 1i3m s ASN 138 Ca 0.00 2.13 -0.34 0.00 0.04 0.00 0.00 52.86 54.68 1i3m s ASN 138 Cb 0.00 -2.53 -0.15 0.00 -1.54 0.00 0.00 41.25 37.03 1i3m s ASN 138 CO 0.00 -1.12 1.41 -2.65 -3.04 0.00 0.00 177.10 171.70 1i3m n PRO 139 N 7.48 1.67 0.04 0.43 -0.02 -1.26 -4.87 135.00 138.46 1i3m n PRO 139 Ca 0.19 0.60 0.01 0.00 -2.02 0.00 0.00 63.50 62.29 1i3m n PRO 139 Cb 0.43 -2.27 -0.07 0.00 -0.02 0.00 0.00 33.50 31.57 1i3m n PRO 139 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1i3m n GLN 140 N 2.63 0.62 -3.59 -0.52 6.02 -1.26 -4.95 117.38 116.33 1i3m n GLN 140 Ca 0.16 0.21 -0.11 0.00 -0.01 0.00 0.00 57.00 57.25 1i3m n GLN 140 Cb 0.26 -1.81 -0.03 0.00 1.02 0.00 0.00 30.24 29.68 1i3m n GLN 140 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 1i3m s TYR 141 N -2.98 -0.31 0.01 1.08 1.13 -1.26 -5.19 117.35 109.83 1i3m s TYR 141 Ca -0.03 0.02 0.01 0.00 -1.41 0.00 0.00 57.07 55.66 1i3m s TYR 141 Cb 0.09 0.42 -0.01 0.00 -1.10 0.00 0.00 41.96 41.36 1i3m s TYR 141 CO 0.81 -0.83 -0.04 -0.51 -2.51 0.00 0.00 175.55 172.47 1i3m s LEU 142 N -2.81 2.06 0.81 -3.49 1.43 -1.26 -4.30 118.68 111.12 1i3m s LEU 142 Ca 0.04 -0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 52.87 1i3m s LEU 142 Cb -0.00 -0.14 0.08 0.00 0.03 0.00 0.00 46.19 46.16 1i3m s LEU 142 CO -0.09 -0.02 1.09 -2.16 0.23 0.00 0.00 176.35 175.40 1i3m s PRO 143 N -0.40 1.96 -0.23 1.29 0.04 -1.26 -5.11 135.00 131.29 1i3m s PRO 143 Ca -0.02 0.73 -0.26 0.00 0.04 0.00 0.00 61.00 61.49 1i3m s PRO 143 Cb -0.03 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 32.61 1i3m s PRO 143 CO -0.00 -1.73 0.89 -0.51 0.04 0.00 0.00 177.00 175.70 1i3m s LEU 144 N -5.87 4.09 0.39 -3.56 1.43 -0.36 -4.67 118.68 110.13 1i3m s LEU 144 Ca 0.61 1.15 0.08 0.00 -1.03 0.00 0.00 54.13 54.94 1i3m s LEU 144 Cb -0.15 -3.30 -0.01 0.00 0.03 0.00 0.00 46.19 42.76 1i3m s LEU 144 CO 0.55 -0.55 0.42 1.51 0.23 0.00 0.00 176.35 178.51 1i3m s ASP 145 N 1.28 5.39 0.55 2.29 -4.77 -1.26 -0.65 116.67 119.50 1i3m s ASP 145 Ca 0.38 -0.52 0.29 0.00 -3.30 0.00 0.00 52.55 49.39 1i3m s ASP 145 Cb -0.15 -0.78 1.59 0.00 -1.09 0.00 0.00 42.92 42.49 1i3m s ASP 145 CO 0.07 -0.58 2.14 -0.33 0.70 0.00 0.00 175.17 177.17 1i3m h GLU 146 N 0.96 0.00 0.00 2.11 3.07 -1.93 -1.45 114.58 117.34 1i3m h GLU 146 Ca -0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.44 1i3m h GLU 146 Cb 1.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1i3m h GLU 146 CO 0.54 0.08 0.00 0.00 -1.40 0.00 0.00 179.01 178.23 1i3m n ALA 147 N -2.29 1.93 -1.69 3.43 0.00 -1.26 -4.84 120.51 115.79 1i3m n ALA 147 Ca -0.02 -0.07 -0.36 0.00 0.00 0.00 0.00 53.44 52.99 1i3m n ALA 147 Cb 0.18 -1.33 0.05 0.00 0.00 0.00 0.00 19.45 18.35 1i3m n ALA 147 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1i3m s HIS 148 N -3.00 2.30 0.67 0.00 5.04 -0.55 -4.92 115.29 114.82 1i3m s HIS 148 Ca 0.10 1.52 -0.18 0.00 -1.54 0.00 0.00 55.06 54.96 1i3m s HIS 148 Cb 0.13 -3.51 -0.00 0.00 0.04 0.00 0.00 32.58 29.24 1i3m s HIS 148 CO 0.37 -2.38 1.28 -2.30 -2.34 0.00 0.00 174.74 169.37 1i3m n PRO 149 N -1.81 1.02 -4.28 2.88 -0.02 -1.26 -5.00 135.00 126.54 1i3m n PRO 149 Ca 0.14 0.41 -0.15 0.00 -2.02 0.00 0.00 63.50 61.87 1i3m n PRO 149 Cb 0.49 -2.52 -0.10 0.00 -0.02 0.00 0.00 33.50 31.35 1i3m n PRO 149 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1i3m s THR 150 N -1.46 1.16 0.00 3.45 -4.23 -1.26 -4.46 115.64 108.84 1i3m s THR 150 Ca 0.82 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 1i3m s THR 150 Cb -0.37 -1.99 0.00 0.00 1.34 0.00 0.00 72.50 71.48 1i3m s THR 150 CO 0.41 -0.62 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 1i3m n GLY 151 N -0.27 -3.19 3.58 3.99 0.00 -0.28 -4.97 105.19 104.06 1i3m n GLY 151 Ca -0.09 -2.03 -0.23 0.00 0.00 0.00 0.00 46.02 43.67 1i3m n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i3m n GLY 152 N -0.06 -0.53 3.77 -0.02 0.00 -1.26 -4.53 105.19 102.56 1i3m n GLY 152 Ca 0.00 0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 1i3m n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3m h THR 154 N 2.82 1.25 -3.05 0.00 1.35 -1.91 -3.45 112.91 109.92 1i3m h THR 154 Ca -0.46 -0.74 -0.43 0.00 -0.55 0.00 0.00 66.41 64.23 1i3m h THR 154 Cb 1.19 0.31 -0.15 0.00 -1.73 0.00 0.00 68.15 67.77 1i3m h THR 154 CO 0.66 0.31 -0.74 0.54 -0.25 0.00 0.00 175.52 176.04 1i3m s ASN 155 N -6.38 2.41 0.35 5.36 6.03 -1.26 -5.00 114.94 116.44 1i3m s ASN 155 Ca -0.12 -0.99 0.13 0.00 -1.03 0.00 0.00 52.86 50.86 1i3m s ASN 155 Cb 0.16 -0.11 0.98 0.00 -3.03 0.00 0.00 41.25 39.25 1i3m s ASN 155 CO 0.82 -0.18 1.74 -0.65 -2.03 0.00 0.00 177.10 176.80 1i3m h PRO 156 N 2.74 0.49 0.21 3.55 0.11 -1.89 1.42 132.00 138.63 1i3m h PRO 156 Ca -0.38 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 1i3m h PRO 156 Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1i3m h PRO 156 CO 0.60 0.32 -0.10 -0.92 -0.21 0.00 0.00 178.00 177.69 1i3m h TYR 157 N 0.50 -0.27 -0.31 0.65 5.03 -1.95 -0.31 116.97 120.32 1i3m h TYR 157 Ca 0.64 -0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.87 1i3m h TYR 157 Cb 1.36 0.09 -0.02 0.00 1.55 0.00 0.00 36.73 39.71 1i3m h TYR 157 CO -0.01 0.06 -0.11 0.78 -1.32 0.00 0.00 178.16 177.57 1i3m h GLY 158 N -0.61 0.56 0.96 1.82 0.00 -0.90 -2.00 103.07 102.91 1i3m h GLY 158 Ca -0.03 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 1i3m h GLY 158 CO 0.05 0.36 0.17 0.50 0.00 0.00 0.00 176.54 177.62 1i3m h LYS 159 N 0.49 0.73 -0.66 4.80 1.57 0.18 -1.66 116.57 122.01 1i3m h LYS 159 Ca 0.09 -0.14 0.09 0.00 -1.87 0.00 0.00 60.65 58.81 1i3m h LYS 159 Cb 0.48 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.61 1i3m h LYS 159 CO 0.03 0.67 0.31 0.66 -0.57 0.00 0.00 179.45 180.55 1i3m h SER 160 N 0.63 0.39 -0.51 0.86 4.64 -0.51 0.23 113.55 119.29 1i3m h SER 160 Ca 0.16 0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.52 1i3m h SER 160 Cb 0.23 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 1i3m h SER 160 CO -0.01 0.23 0.24 0.11 -0.87 0.00 0.00 176.83 176.53 1i3m h LYS 161 N 0.55 0.74 -0.39 4.77 1.79 -0.81 -0.94 116.57 122.27 1i3m h LYS 161 Ca 0.32 -0.12 -0.05 0.00 -2.18 0.00 0.00 60.65 58.63 1i3m h LYS 161 Cb 0.34 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.84 1i3m h LYS 161 CO -0.26 0.63 0.05 0.35 -1.08 0.00 0.00 179.45 179.14 1i3m h PHE 162 N 0.68 0.69 -0.87 -1.35 3.57 -0.58 -1.41 116.94 117.67 1i3m h PHE 162 Ca 0.17 -0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.61 1i3m h PHE 162 Cb 0.14 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.64 1i3m h PHE 162 CO -0.00 0.69 0.56 0.74 -2.23 0.00 0.00 178.31 178.08 1i3m h PHE 163 N 0.49 1.06 -0.51 0.41 0.04 -0.41 -1.14 116.94 116.88 1i3m h PHE 163 Ca 0.12 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.88 1i3m h PHE 163 Cb 0.38 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 1i3m h PHE 163 CO 0.03 0.62 0.21 0.82 -0.60 0.00 0.00 178.31 179.38 1i3m h ILE 164 N 1.10 1.21 -0.81 -0.55 2.04 -0.93 -0.59 117.51 118.99 1i3m h ILE 164 Ca 0.34 -0.66 0.02 0.00 1.00 0.00 0.00 64.86 65.57 1i3m h ILE 164 Cb -0.01 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 1i3m h ILE 164 CO -0.11 0.25 0.53 -0.33 0.00 0.00 0.00 178.15 178.49 1i3m h GLU 165 N 0.69 1.02 -0.73 2.37 5.08 -0.61 -0.91 114.58 121.48 1i3m h GLU 165 Ca 0.17 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1i3m h GLU 165 Cb 0.19 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1i3m h GLU 165 CO -0.01 0.67 0.31 0.93 -1.00 0.00 0.00 179.01 179.91 1i3m h GLU 166 N 1.05 1.07 -0.65 2.33 4.39 -0.84 0.83 114.58 122.76 1i3m h GLU 166 Ca 0.32 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.80 1i3m h GLU 166 Cb -0.04 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.40 1i3m h GLU 166 CO -0.10 0.87 0.29 0.52 -1.16 0.00 0.00 179.01 179.43 1i3m h MET 167 N 1.04 0.95 -0.62 2.33 2.86 -0.57 -1.44 114.93 119.48 1i3m h MET 167 Ca 0.25 -0.16 -0.09 0.00 -2.06 0.00 0.00 59.70 57.64 1i3m h MET 167 Cb 0.18 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1i3m h MET 167 CO -0.02 0.78 0.04 0.82 1.06 0.00 0.00 176.91 179.58 1i3m h ILE 168 N 0.90 1.26 -0.58 -1.22 2.04 -0.85 -0.68 117.51 118.39 1i3m h ILE 168 Ca 0.22 -1.11 0.04 0.00 1.00 0.00 0.00 64.86 65.01 1i3m h ILE 168 Cb 0.16 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 1i3m h ILE 168 CO -0.02 0.41 0.32 0.03 0.00 0.00 0.00 178.15 178.89 1i3m h ARG 169 N 0.97 0.60 -0.72 2.37 3.08 -0.49 -1.01 114.38 119.19 1i3m h ARG 169 Ca 0.18 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1i3m h ARG 169 Cb 0.52 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 1i3m h ARG 169 CO 0.02 0.40 0.44 -0.44 -1.07 0.00 0.00 179.97 179.32 1i3m h ASP 170 N 0.62 0.87 -0.42 7.04 3.45 -0.83 -0.86 116.42 126.28 1i3m h ASP 170 Ca 0.25 -0.06 -0.01 0.00 0.43 0.00 0.00 57.03 57.64 1i3m h ASP 170 Cb 0.12 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.65 1i3m h ASP 170 CO -0.15 0.67 0.23 0.25 -1.57 0.00 0.00 179.24 178.67 1i3m h LEU 171 N 0.99 0.53 -1.16 1.55 5.85 -0.59 -0.26 115.31 122.21 1i3m h LEU 171 Ca 0.26 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 1i3m h LEU 171 Cb -0.04 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1i3m h LEU 171 CO -0.05 0.47 -0.17 0.00 -0.34 0.00 0.00 178.44 178.35 1i3m h GLN 173 N 0.35 0.37 -0.37 0.00 1.08 -0.56 -3.21 115.11 112.76 1i3m h GLN 173 Ca 0.06 -0.11 -0.09 0.00 -1.45 0.00 0.00 58.65 57.06 1i3m h GLN 173 Cb 0.51 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 1i3m h GLN 173 CO 0.03 0.55 -0.13 0.00 -0.95 0.00 0.00 178.83 178.33 1i3m h ALA 174 N 0.80 1.08 -3.18 3.87 0.00 -0.64 -3.39 119.26 117.80 1i3m h ALA 174 Ca 0.06 -0.31 -0.57 0.00 0.00 0.00 0.00 54.91 54.10 1i3m h ALA 174 Cb 0.38 -0.16 -0.40 0.00 0.00 0.00 0.00 17.79 17.61 1i3m h ALA 174 CO 0.01 0.57 -0.76 0.34 0.00 0.00 0.00 179.25 179.41 1i3m s ASP 175 N -6.73 3.77 0.00 0.00 3.68 -0.26 -4.99 116.67 112.13 1i3m s ASP 175 Ca -0.08 -1.43 0.05 0.00 2.13 0.00 0.00 52.55 53.22 1i3m s ASP 175 Cb 0.14 -0.79 0.25 0.00 -1.45 0.00 0.00 42.92 41.07 1i3m s ASP 175 CO 0.81 -0.39 1.04 0.29 0.13 0.00 0.00 175.17 177.05 1i3m n LYS 176 N 4.91 0.06 0.15 4.34 4.76 -1.24 -1.77 118.16 129.37 1i3m n LYS 176 Ca -0.04 0.28 0.12 0.00 -2.87 0.00 0.00 58.31 55.80 1i3m n LYS 176 Cb 0.43 -1.50 0.16 0.00 -1.84 0.00 0.00 35.03 32.29 1i3m n LYS 176 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1i3m h THR 177 N 0.00 0.00 -4.03 -0.18 1.35 -1.94 -3.46 112.91 104.65 1i3m h THR 177 Ca 0.00 -0.85 -0.48 0.00 -0.55 0.00 0.00 66.41 64.52 1i3m h THR 177 Cb 0.06 1.68 0.03 0.00 -1.73 0.00 0.00 68.15 68.19 1i3m h THR 177 CO 0.00 0.00 0.41 0.26 -0.25 0.00 0.00 175.52 175.94 1i3m s TRP 178 N -3.23 3.03 -0.07 4.73 0.52 -0.73 -4.91 118.94 118.28 1i3m s TRP 178 Ca 0.06 1.59 0.02 0.00 0.02 0.00 0.00 56.10 57.78 1i3m s TRP 178 Cb 0.08 -3.16 0.02 0.00 -1.15 0.00 0.00 33.47 29.26 1i3m s TRP 178 CO 0.70 -0.95 -0.11 -0.80 0.02 0.00 0.00 176.95 175.80 1i3m s ASN 179 N -1.72 1.81 -0.06 2.95 0.01 -0.35 -4.02 114.94 113.55 1i3m s ASN 179 Ca 0.64 -0.29 -0.04 0.00 -0.71 0.00 0.00 52.86 52.46 1i3m s ASN 179 Cb -0.21 -0.81 0.03 0.00 0.41 0.00 0.00 41.25 40.67 1i3m s ASN 179 CO 0.25 0.00 0.15 0.68 -1.51 0.00 0.00 177.10 176.68 1i3m s VAL 180 N 0.85 -0.03 -0.21 1.60 -7.23 0.35 -1.60 120.40 114.13 1i3m s VAL 180 Ca -0.11 0.11 -0.01 0.00 -1.81 0.00 0.00 61.98 60.16 1i3m s VAL 180 Cb -0.15 -0.23 0.02 0.00 0.56 0.00 0.00 36.38 36.57 1i3m s VAL 180 CO 0.01 0.05 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.05 1i3m s VAL 181 N 0.77 2.63 -0.30 1.32 1.01 -0.10 -0.63 120.40 125.10 1i3m s VAL 181 Ca -0.06 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 60.91 1i3m s VAL 181 Cb -0.08 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 1i3m s VAL 181 CO -0.04 0.38 0.20 -0.76 0.00 0.00 0.00 175.10 174.88 1i3m s LEU 182 N 1.34 4.19 -0.36 3.92 1.43 0.39 -0.72 118.68 128.87 1i3m s LEU 182 Ca 0.03 -0.23 -0.10 0.00 -1.03 0.00 0.00 54.13 52.80 1i3m s LEU 182 Cb -0.15 -2.10 0.02 0.00 0.03 0.00 0.00 46.19 43.99 1i3m s LEU 182 CO -0.08 -0.13 0.19 -0.76 0.23 0.00 0.00 176.35 175.80 1i3m s LEU 183 N 1.72 4.55 -0.66 1.79 1.43 -0.59 -0.83 118.68 126.10 1i3m s LEU 183 Ca 0.06 -0.89 -0.21 0.00 -1.03 0.00 0.00 54.13 52.06 1i3m s LEU 183 Cb -0.17 -2.01 0.08 0.00 0.03 0.00 0.00 46.19 44.13 1i3m s LEU 183 CO 0.10 -0.34 0.91 -0.13 0.23 0.00 0.00 176.35 177.12 1i3m s ARG 184 N 1.56 3.12 0.53 1.70 0.52 0.63 -0.52 118.95 126.50 1i3m s ARG 184 Ca 0.02 -1.02 -0.19 0.00 -0.52 0.00 0.00 55.73 54.02 1i3m s ARG 184 Cb -0.19 -4.28 -0.06 0.00 0.52 0.00 0.00 34.95 30.94 1i3m s ARG 184 CO 0.06 -1.74 1.08 0.71 0.02 0.00 0.00 175.30 175.43 1i3m s TYR 185 N 3.62 2.85 0.00 -0.53 2.02 -1.09 -1.17 117.35 123.05 1i3m s TYR 185 Ca 0.20 1.55 0.00 0.00 -0.37 0.00 0.00 57.07 58.45 1i3m s TYR 185 Cb -0.18 -3.15 0.00 0.00 -0.40 0.00 0.00 41.96 38.23 1i3m s TYR 185 CO 0.08 -1.20 0.00 1.19 -1.57 0.00 0.00 175.55 174.05 1i3m n PHE 186 N -1.33 0.00 -3.62 2.71 3.72 -0.89 -0.66 117.46 117.40 1i3m n PHE 186 Ca 0.10 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.11 1i3m n PHE 186 Cb 0.52 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.97 1i3m n PHE 186 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1i3m s ASN 187 N -1.00 5.61 0.21 4.37 -0.87 -0.35 -4.76 114.94 118.15 1i3m s ASN 187 Ca 0.00 -2.27 -0.31 0.00 -1.57 0.00 0.00 52.86 48.71 1i3m s ASN 187 Cb 0.00 -1.96 -0.10 0.00 -0.02 0.00 0.00 41.25 39.17 1i3m s ASN 187 CO 0.00 -0.57 1.50 -2.84 -2.57 0.00 0.00 177.10 172.63 1i3m s PRO 188 N 0.81 4.24 0.34 -0.60 0.02 -1.26 -0.57 135.00 137.98 1i3m s PRO 188 Ca 0.10 2.34 -0.08 0.00 0.02 0.00 0.00 61.00 63.38 1i3m s PRO 188 Cb -0.22 -3.13 0.02 0.00 0.02 0.00 0.00 34.50 31.19 1i3m s PRO 188 CO -0.03 -0.52 0.58 -0.08 -0.33 0.00 0.00 177.00 176.62 1i3m s THR 189 N 0.54 0.00 0.00 0.99 -1.32 0.46 -4.86 115.64 111.45 1i3m s THR 189 Ca 0.64 -1.39 0.00 0.00 -1.21 0.00 0.00 61.69 59.74 1i3m s THR 189 Cb -0.43 -2.65 0.00 0.00 -1.51 0.00 0.00 72.50 67.91 1i3m s THR 189 CO 0.38 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.40 1i3m n GLY 190 N -0.53 -1.89 3.57 6.08 0.00 -1.26 0.27 105.19 111.43 1i3m n GLY 190 Ca -0.02 -1.70 -0.07 0.00 0.00 0.00 0.00 46.02 44.23 1i3m n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3m s ALA 191 N -1.44 -1.79 0.40 4.61 0.00 -1.26 -4.59 121.76 117.69 1i3m s ALA 191 Ca 0.00 0.77 -0.26 0.00 0.00 0.00 0.00 51.96 52.47 1i3m s ALA 191 Cb 0.00 0.47 -0.11 0.00 0.00 0.00 0.00 23.12 23.49 1i3m s ALA 191 CO 0.00 -0.79 1.19 1.58 0.00 0.00 0.00 175.76 177.74 1i3m n HIS 192 N -0.31 1.86 0.24 0.00 -0.00 -1.25 -4.78 115.22 110.97 1i3m n HIS 192 Ca -0.08 0.54 0.18 0.00 0.46 0.00 0.00 57.72 58.81 1i3m n HIS 192 Cb 0.61 -2.34 0.82 0.00 -0.12 0.00 0.00 29.99 28.97 1i3m n HIS 192 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1i3m h ALA 193 N 2.01 1.64 0.00 1.57 0.00 -1.93 -1.50 119.26 121.05 1i3m h ALA 193 Ca -0.46 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1i3m h ALA 193 Cb 1.31 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1i3m h ALA 193 CO 0.60 -0.41 -0.30 0.66 0.00 0.00 0.00 179.25 179.80 1i3m h SER 194 N 0.00 0.00 0.00 0.00 4.64 -1.94 -3.46 113.55 112.78 1i3m h SER 194 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1i3m h SER 194 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1i3m h SER 194 CO -0.00 0.30 0.00 0.61 -0.87 0.00 0.00 176.83 176.87 1i3m n GLY 195 N -0.24 0.89 0.15 -0.77 0.00 -0.57 -4.92 105.19 99.73 1i3m n GLY 195 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.06 1i3m n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3m s ILE 197 N -3.03 0.92 -1.46 0.00 -4.36 -1.26 -5.02 121.20 106.99 1i3m s ILE 197 Ca 0.04 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.43 1i3m s ILE 197 Cb 0.07 -1.77 0.00 0.00 1.25 0.00 0.00 42.46 42.01 1i3m s ILE 197 CO 0.74 -0.81 0.00 0.61 0.24 0.00 0.00 174.94 175.72 1i3m n GLY 198 N -0.12 -1.45 3.72 6.27 0.00 -1.26 -3.95 105.19 108.41 1i3m n GLY 198 Ca -0.11 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 1i3m n GLY 198 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i3m s GLU 199 N -1.27 4.24 -0.58 1.61 2.12 -1.26 -4.87 118.70 118.69 1i3m s GLU 199 Ca 0.00 2.31 0.06 0.00 0.36 0.00 0.00 54.97 57.70 1i3m s GLU 199 Cb 0.00 -3.15 0.28 0.00 0.26 0.00 0.00 34.13 31.52 1i3m s GLU 199 CO 0.00 -0.54 0.79 -3.47 -0.54 0.00 0.00 175.26 171.50 1i3m n ASP 200 N 3.54 3.50 -4.76 -1.70 2.03 -1.26 -4.99 116.55 112.91 1i3m n ASP 200 Ca 0.12 -3.43 -0.37 0.00 0.52 0.00 0.00 54.79 51.63 1i3m n ASP 200 Cb 0.39 -0.63 0.02 0.00 -0.72 0.00 0.00 41.12 40.18 1i3m n ASP 200 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1i3m s PRO 201 N -2.66 3.33 -0.15 -0.67 0.04 -1.26 -4.97 135.00 128.66 1i3m s PRO 201 Ca 0.42 1.98 -0.04 0.00 0.04 0.00 0.00 61.00 63.40 1i3m s PRO 201 Cb 0.20 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1i3m s PRO 201 CO -0.06 -0.96 -0.02 -0.65 0.04 0.00 0.00 177.00 175.35 1i3m s GLN 202 N -2.92 3.66 1.22 4.56 -1.52 -1.26 -4.98 119.66 118.42 1i3m s GLN 202 Ca 0.70 -0.48 0.00 0.00 -1.95 0.00 0.00 55.36 53.62 1i3m s GLN 202 Cb -0.34 -2.95 0.00 0.00 -0.22 0.00 0.00 33.01 29.51 1i3m s GLN 202 CO 0.40 0.29 0.00 0.41 -0.25 0.00 0.00 175.29 176.14 1i3m n GLY 203 N 3.41 -1.79 3.67 3.09 0.00 -1.26 -4.76 105.19 107.55 1i3m n GLY 203 Ca -0.17 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 1i3m n GLY 203 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i3m s ILE 204 N 0.00 4.02 0.42 -0.61 1.01 -1.26 -4.96 121.20 119.81 1i3m s ILE 204 Ca 0.00 1.26 -0.25 0.00 0.00 0.00 0.00 60.65 61.66 1i3m s ILE 204 Cb 0.00 -3.81 -0.08 0.00 0.01 0.00 0.00 42.46 38.57 1i3m s ILE 204 CO 0.00 -0.09 1.28 -2.84 0.00 0.00 0.00 174.94 173.29 1i3m s PRO 205 N 3.44 3.90 0.02 2.79 0.02 -1.26 -4.95 135.00 138.96 1i3m s PRO 205 Ca 0.61 2.10 0.16 0.00 0.02 0.00 0.00 61.00 63.89 1i3m s PRO 205 Cb -0.26 -2.69 -0.17 0.00 0.02 0.00 0.00 34.50 31.41 1i3m s PRO 205 CO 0.21 -0.53 0.75 0.09 -0.33 0.00 0.00 177.00 177.18 1i3m n ASN 206 N -0.01 0.81 -4.87 2.53 3.02 -1.26 -4.80 115.26 110.67 1i3m n ASN 206 Ca 0.04 0.36 -0.30 0.00 -0.03 0.00 0.00 54.58 54.66 1i3m n ASN 206 Cb 0.44 0.18 -0.04 0.00 -0.61 0.00 0.00 39.78 39.75 1i3m n ASN 206 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1i3m s ASN 207 N -5.81 6.54 0.05 6.41 4.22 -1.26 -5.03 114.94 120.06 1i3m s ASN 207 Ca -0.04 1.10 -0.36 0.00 -2.14 0.00 0.00 52.86 51.42 1i3m s ASN 207 Cb 0.08 -2.31 -0.20 0.00 1.28 0.00 0.00 41.25 40.11 1i3m s ASN 207 CO 0.82 -0.35 1.49 0.25 -2.04 0.00 0.00 177.10 177.27 1i3m h LEU 208 N 1.45 -1.07 -0.45 3.54 5.85 -2.00 -3.17 115.31 119.46 1i3m h LEU 208 Ca -0.47 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.38 1i3m h LEU 208 Cb 1.19 0.28 -0.09 0.00 0.37 0.00 0.00 40.66 42.40 1i3m h LEU 208 CO 0.64 -0.74 -0.15 0.24 -0.34 0.00 0.00 178.44 178.10 1i3m h MET 209 N -1.31 -0.04 -0.06 1.25 0.00 -1.96 0.12 114.93 112.93 1i3m h MET 209 Ca -0.13 0.00 -0.06 0.00 0.00 0.00 0.00 59.70 59.51 1i3m h MET 209 Cb 0.97 0.01 -0.01 0.00 0.00 0.00 0.00 31.60 32.57 1i3m h MET 209 CO 0.21 -0.03 -0.26 -1.35 0.00 0.00 0.00 176.91 175.48 1i3m h PRO 210 N -0.04 0.10 -0.23 -0.22 0.11 -1.98 0.11 132.00 129.83 1i3m h PRO 210 Ca 0.22 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.25 1i3m h PRO 210 Cb 0.38 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 1i3m h PRO 210 CO -0.49 0.36 -0.07 -0.92 -0.21 0.00 0.00 178.00 176.67 1i3m h TYR 211 N 0.09 0.52 0.08 0.65 3.20 -1.14 -0.54 116.97 119.83 1i3m h TYR 211 Ca 0.01 -0.12 0.01 0.00 3.14 0.00 0.00 58.73 61.78 1i3m h TYR 211 Cb 0.52 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 1i3m h TYR 211 CO 0.00 0.70 -0.14 0.28 -1.64 0.00 0.00 178.16 177.37 1i3m h VAL 212 N 0.19 0.68 -0.23 1.81 2.07 -0.27 -1.50 116.25 119.00 1i3m h VAL 212 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1i3m h VAL 212 Cb 0.54 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1i3m h VAL 212 CO 0.03 0.00 0.15 0.77 0.02 0.00 0.00 177.57 178.54 1i3m h SER 213 N -0.27 0.25 0.83 0.57 4.64 -0.72 -0.55 113.55 118.30 1i3m h SER 213 Ca 0.02 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.26 1i3m h SER 213 Cb 0.29 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1i3m h SER 213 CO -0.08 0.18 -0.39 1.56 -0.87 0.00 0.00 176.83 177.23 1i3m h GLN 214 N 0.30 0.00 -0.05 4.77 4.20 -0.34 -1.39 115.11 122.59 1i3m h GLN 214 Ca 0.08 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.65 1i3m h GLN 214 Cb -0.03 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.76 1i3m h GLN 214 CO -0.02 0.39 -0.51 0.28 -0.67 0.00 0.00 178.83 178.30 1i3m h VAL 215 N 0.00 1.40 -0.89 -0.54 2.07 -0.15 0.41 116.25 118.56 1i3m h VAL 215 Ca -0.00 -1.91 -0.01 0.00 0.82 0.00 0.00 66.70 65.60 1i3m h VAL 215 Cb 0.91 2.39 -0.04 0.00 -1.52 0.00 0.00 31.29 33.02 1i3m h VAL 215 CO 0.05 0.56 0.53 0.00 0.02 0.00 0.00 177.57 178.73 1i3m h ALA 216 N 0.40 1.26 0.00 1.67 0.00 -1.05 -1.67 119.26 119.88 1i3m h ALA 216 Ca -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1i3m h ALA 216 Cb 1.18 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1i3m h ALA 216 CO 0.10 0.63 0.00 0.97 0.00 0.00 0.00 179.25 180.95 1i3m h ILE 217 N 1.22 0.00 0.00 0.00 6.09 -1.30 -3.46 117.51 120.07 1i3m h ILE 217 Ca 0.32 -0.50 0.00 0.00 -1.37 0.00 0.00 64.86 63.30 1i3m h ILE 217 Cb -0.05 1.43 0.00 0.00 0.47 0.00 0.00 36.82 38.67 1i3m h ILE 217 CO -0.06 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 175.63 1i3m n GLY 218 N 0.75 0.96 0.12 8.18 0.00 -0.63 -4.98 105.19 109.60 1i3m n GLY 218 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 1i3m n GLY 218 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1i3m h ARG 219 N 3.67 0.00 -6.64 1.61 2.43 -0.42 -3.44 114.38 111.59 1i3m h ARG 219 Ca 0.00 0.00 -0.69 0.00 -0.81 0.00 0.00 59.98 58.48 1i3m h ARG 219 Cb 0.00 0.00 -0.27 0.00 -0.42 0.00 0.00 29.97 29.28 1i3m h ARG 219 CO 0.00 0.69 -0.88 1.03 -1.51 0.00 0.00 179.97 179.30 1i3m s ARG 220 N -3.11 1.85 0.05 0.20 1.81 -0.61 -4.96 118.95 114.18 1i3m s ARG 220 Ca 0.01 -1.04 -0.28 0.00 -1.72 0.00 0.00 55.73 52.70 1i3m s ARG 220 Cb 0.10 -1.95 -0.17 0.00 -0.45 0.00 0.00 34.95 32.48 1i3m s ARG 220 CO 0.77 0.51 1.52 0.93 -0.68 0.00 0.00 175.30 178.35 1i3m h GLU 221 N 5.01 -0.48 -2.86 3.54 4.39 -1.90 -3.39 114.58 118.90 1i3m h GLU 221 Ca -0.45 0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.22 1i3m h GLU 221 Cb 1.14 0.11 -0.16 0.00 -0.10 0.00 0.00 28.75 29.74 1i3m h GLU 221 CO 0.45 -0.25 0.00 0.00 -1.16 0.00 0.00 179.01 178.05 1i3m s ALA 222 N -5.64 -1.24 0.07 3.43 0.00 -1.26 -4.63 121.76 112.49 1i3m s ALA 222 Ca -0.15 0.50 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 1i3m s ALA 222 Cb 0.04 0.40 -0.05 0.00 0.00 0.00 0.00 23.12 23.50 1i3m s ALA 222 CO 0.61 -0.50 1.00 -1.17 0.00 0.00 0.00 175.76 175.69 1i3m s LEU 223 N -2.02 4.44 -0.27 0.00 2.96 -0.46 -4.89 118.68 118.44 1i3m s LEU 223 Ca -0.05 1.78 -0.15 0.00 -0.22 0.00 0.00 54.13 55.49 1i3m s LEU 223 Cb -0.01 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 1i3m s LEU 223 CO -0.02 -0.18 0.40 0.20 -1.32 0.00 0.00 176.35 175.43 1i3m s ASN 224 N 0.45 6.29 -0.30 3.68 0.02 -1.26 -0.14 114.94 123.67 1i3m s ASN 224 Ca 0.50 0.34 -0.17 0.00 -1.02 0.00 0.00 52.86 52.51 1i3m s ASN 224 Cb -0.23 -2.22 -0.02 0.00 0.02 0.00 0.00 41.25 38.79 1i3m s ASN 224 CO 0.30 -0.20 0.45 -0.69 0.02 0.00 0.00 177.10 176.98 1i3m s VAL 225 N 2.10 5.10 -1.32 1.60 1.01 0.11 -4.93 120.40 124.06 1i3m s VAL 225 Ca 0.16 0.51 -0.18 0.00 0.00 0.00 0.00 61.98 62.48 1i3m s VAL 225 Cb -0.16 -3.83 0.06 0.00 0.00 0.00 0.00 36.38 32.45 1i3m s VAL 225 CO 0.10 -0.01 1.82 0.49 0.00 0.00 0.00 175.10 177.49 1i3m n PHE 226 N 5.52 4.45 0.00 5.22 0.99 -1.26 0.10 117.46 132.48 1i3m n PHE 226 Ca -0.06 -2.82 0.00 0.00 -0.00 0.00 0.00 57.45 54.56 1i3m n PHE 226 Cb 0.50 -2.62 0.00 0.00 -1.00 0.00 0.00 39.48 36.35 1i3m n PHE 226 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1i3m n GLY 227 N 5.22 -1.51 0.65 1.37 0.00 -0.27 -4.29 105.19 106.35 1i3m n GLY 227 Ca 0.49 -1.35 0.04 0.00 0.00 0.00 0.00 46.02 45.21 1i3m n GLY 227 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1i3m n ASN 228 N -0.90 1.03 -0.78 1.61 6.94 -1.25 -4.44 115.26 117.46 1i3m n ASN 228 Ca 0.00 -2.53 0.02 0.00 -0.02 0.00 0.00 54.58 52.06 1i3m n ASN 228 Cb 0.00 -0.32 0.20 0.00 -2.36 0.00 0.00 39.78 37.30 1i3m n ASN 228 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1i3m n ASP 229 N -0.38 2.00 -4.93 0.53 3.85 -0.90 -4.36 116.55 112.36 1i3m n ASP 229 Ca 0.08 -3.88 -0.26 0.00 -0.71 0.00 0.00 54.79 50.02 1i3m n ASP 229 Cb 0.79 -0.55 0.04 0.00 -1.35 0.00 0.00 41.12 40.05 1i3m n ASP 229 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 1i3m s TYR 230 N -3.26 3.17 -1.49 2.11 2.02 0.24 -4.95 117.35 115.19 1i3m s TYR 230 Ca 0.40 0.52 -0.10 0.00 -0.37 0.00 0.00 57.07 57.52 1i3m s TYR 230 Cb 0.38 -2.77 0.01 0.00 -0.40 0.00 0.00 41.96 39.18 1i3m s TYR 230 CO -0.05 -0.87 2.54 -3.47 -1.57 0.00 0.00 175.55 172.13 1i3m n ASP 231 N -2.57 6.95 -4.34 2.29 2.03 -1.26 -4.02 116.55 115.64 1i3m n ASP 231 Ca 0.05 -2.81 -0.20 0.00 0.52 0.00 0.00 54.79 52.35 1i3m n ASP 231 Cb 0.58 -1.54 -0.10 0.00 -0.72 0.00 0.00 41.12 39.34 1i3m n ASP 231 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1i3m s THR 232 N 1.60 1.76 0.43 5.18 -4.23 -1.26 -4.96 115.64 114.16 1i3m s THR 232 Ca 0.58 -2.08 0.26 0.00 -1.18 0.00 0.00 61.69 59.26 1i3m s THR 232 Cb 0.16 -1.94 0.46 0.00 1.34 0.00 0.00 72.50 72.51 1i3m s THR 232 CO -0.07 -0.48 1.70 -0.08 -0.54 0.00 0.00 174.62 175.15 1i3m h GLU 233 N 2.86 0.20 -0.04 3.99 4.81 -1.89 -1.65 114.58 122.87 1i3m h GLU 233 Ca -0.40 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1i3m h GLU 233 Cb 1.22 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1i3m h GLU 233 CO 0.57 0.13 0.00 -0.40 -0.73 0.00 0.00 179.01 178.59 1i3m n ASP 234 N -4.61 1.75 0.00 1.04 3.85 -1.26 -4.99 116.55 112.32 1i3m n ASP 234 Ca 0.31 -1.58 0.00 0.00 -0.71 0.00 0.00 54.79 52.81 1i3m n ASP 234 Cb 1.19 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 40.93 1i3m n ASP 234 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1i3m n GLY 235 N -0.07 3.10 3.95 6.12 0.00 -0.62 -4.90 105.19 112.77 1i3m n GLY 235 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 1i3m n GLY 235 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i3m s THR 236 N -2.03 5.15 0.45 2.61 -4.23 -1.26 -0.59 115.64 115.74 1i3m s THR 236 Ca 0.00 -0.60 -0.25 0.00 -1.18 0.00 0.00 61.69 59.66 1i3m s THR 236 Cb 0.00 -3.85 -0.08 0.00 1.34 0.00 0.00 72.50 69.90 1i3m s THR 236 CO 0.00 -0.47 1.36 0.61 -0.54 0.00 0.00 174.62 175.58 1i3m n GLY 237 N -1.61 0.81 3.36 3.99 0.00 -1.26 -4.66 105.19 105.82 1i3m n GLY 237 Ca -0.06 0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1i3m n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i3m s VAL 238 N -1.21 2.59 0.05 1.61 1.01 -0.22 -1.85 120.40 122.38 1i3m s VAL 238 Ca 0.62 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 1i3m s VAL 238 Cb -0.47 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1i3m s VAL 238 CO 0.57 0.57 -0.01 -0.13 0.00 0.00 0.00 175.10 176.09 1i3m s ARG 239 N -0.24 0.60 -0.70 2.72 1.81 -0.39 -1.51 118.95 121.25 1i3m s ARG 239 Ca -0.00 -1.15 -0.18 0.00 -1.72 0.00 0.00 55.73 52.68 1i3m s ARG 239 Cb -0.13 0.21 0.13 0.00 -0.45 0.00 0.00 34.95 34.71 1i3m s ARG 239 CO 0.03 -0.12 0.80 0.34 -0.68 0.00 0.00 175.30 175.68 1i3m s ASP 240 N -2.79 6.37 -0.05 0.23 3.68 -0.93 -0.63 116.67 122.56 1i3m s ASP 240 Ca 0.05 -1.77 -0.28 0.00 2.13 0.00 0.00 52.55 52.68 1i3m s ASP 240 Cb 0.06 -2.31 -0.03 0.00 -1.45 0.00 0.00 42.92 39.20 1i3m s ASP 240 CO -0.09 -1.02 0.90 -0.31 0.13 0.00 0.00 175.17 174.78 1i3m s TYR 241 N 2.27 3.60 -0.05 -5.34 1.51 -1.26 -1.21 117.35 116.87 1i3m s TYR 241 Ca 0.17 1.53 0.05 0.00 -1.01 0.00 0.00 57.07 57.81 1i3m s TYR 241 Cb -0.18 -3.04 -0.00 0.00 -0.11 0.00 0.00 41.96 38.63 1i3m s TYR 241 CO 0.01 -0.03 -0.19 -1.50 -1.11 0.00 0.00 175.55 172.72 1i3m s ILE 242 N 1.19 1.57 0.11 2.71 2.07 0.26 -4.64 121.20 124.47 1i3m s ILE 242 Ca 0.47 -0.79 -0.31 0.00 -1.41 0.00 0.00 60.65 58.60 1i3m s ILE 242 Cb -0.19 -1.34 -0.09 0.00 0.13 0.00 0.00 42.46 40.97 1i3m s ILE 242 CO 0.23 0.45 1.51 -2.28 -1.91 0.00 0.00 174.94 172.94 1i3m s HIS 243 N 0.02 2.96 0.59 3.50 5.65 -1.26 -0.40 115.29 126.35 1i3m s HIS 243 Ca -0.04 0.68 0.28 0.00 0.25 0.00 0.00 55.06 56.23 1i3m s HIS 243 Cb -0.12 -3.83 1.57 0.00 -1.18 0.00 0.00 32.58 29.01 1i3m s HIS 243 CO 0.03 -3.09 2.01 -0.24 -0.65 0.00 0.00 174.74 172.79 1i3m h VAL 244 N 4.35 0.43 -0.30 0.89 3.04 -0.47 -0.80 116.25 123.39 1i3m h VAL 244 Ca -0.42 0.00 -0.18 0.00 -1.01 0.00 0.00 66.70 65.09 1i3m h VAL 244 Cb 1.20 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 31.22 1i3m h VAL 244 CO 0.90 0.00 -0.54 0.58 -1.01 0.00 0.00 177.57 177.50 1i3m h VAL 245 N 0.00 1.27 -0.34 1.51 2.07 -1.89 -0.89 116.25 117.98 1i3m h VAL 245 Ca 0.15 -1.72 -0.08 0.00 0.82 0.00 0.00 66.70 65.87 1i3m h VAL 245 Cb 0.81 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1i3m h VAL 245 CO -0.00 0.56 -0.08 0.44 0.02 0.00 0.00 177.57 178.51 1i3m h ASP 246 N 0.68 0.67 -0.40 0.57 3.32 -1.56 -1.41 116.42 118.29 1i3m h ASP 246 Ca 0.02 -0.36 0.06 0.00 0.02 0.00 0.00 57.03 56.76 1i3m h ASP 246 Cb 1.15 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 40.46 1i3m h ASP 246 CO 0.12 0.88 0.09 0.25 -1.72 0.00 0.00 179.24 178.86 1i3m h LEU 247 N 0.45 0.03 -0.52 1.55 5.85 -1.31 0.85 115.31 122.22 1i3m h LEU 247 Ca 0.09 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.89 1i3m h LEU 247 Cb 0.58 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1i3m h LEU 247 CO 0.03 0.05 0.32 0.00 -0.34 0.00 0.00 178.44 178.50 1i3m h ALA 248 N 1.30 0.66 0.00 1.25 0.00 -0.99 -0.19 119.26 121.29 1i3m h ALA 248 Ca 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1i3m h ALA 248 Cb 0.22 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1i3m h ALA 248 CO -0.24 0.03 -0.06 0.87 0.00 0.00 0.00 179.25 179.84 1i3m h LYS 249 N 0.63 0.00 0.00 0.00 1.57 -0.47 -1.34 116.57 116.96 1i3m h LYS 249 Ca 0.21 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 1i3m h LYS 249 Cb 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1i3m h LYS 249 CO -0.09 0.06 -0.13 0.78 -0.57 0.00 0.00 179.45 179.50 1i3m h GLY 250 N 0.19 0.00 1.97 3.86 0.00 0.10 -1.82 103.07 107.37 1i3m h GLY 250 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1i3m h GLY 250 CO 0.01 0.00 -0.64 0.45 0.00 0.00 0.00 176.54 176.35 1i3m h HIS 251 N 0.00 0.04 -0.17 5.60 3.86 -1.04 0.01 115.15 123.45 1i3m h HIS 251 Ca -0.00 -0.02 -0.20 0.00 -1.16 0.00 0.00 60.37 58.99 1i3m h HIS 251 Cb 0.30 -0.01 0.01 0.00 1.06 0.00 0.00 27.41 28.77 1i3m h HIS 251 CO 0.00 0.67 -0.68 0.82 0.86 0.00 0.00 177.93 179.60 1i3m h ILE 252 N 0.02 1.29 -0.52 2.45 1.08 -1.34 -1.34 117.51 119.15 1i3m h ILE 252 Ca -0.01 -1.89 -0.02 0.00 -0.39 0.00 0.00 64.86 62.55 1i3m h ILE 252 Cb 1.14 1.95 -0.03 0.00 -3.07 0.00 0.00 36.82 36.82 1i3m h ILE 252 CO 0.09 0.60 0.24 0.00 -0.69 0.00 0.00 178.15 178.38 1i3m h ALA 253 N 0.56 1.44 -0.84 1.87 0.00 -1.14 -1.52 119.26 119.64 1i3m h ALA 253 Ca -0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1i3m h ALA 253 Cb 1.31 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1i3m h ALA 253 CO 0.14 0.44 0.41 0.00 0.00 0.00 0.00 179.25 180.24 1i3m h ALA 254 N 1.53 1.14 -0.27 0.00 0.00 -0.64 -1.22 119.26 119.80 1i3m h ALA 254 Ca 0.18 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1i3m h ALA 254 Cb 0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1i3m h ALA 254 CO -0.02 0.66 0.16 -0.07 0.00 0.00 0.00 179.25 179.97 1i3m h LEU 255 N 1.20 0.33 -1.29 0.00 3.38 -0.25 -1.12 115.31 117.57 1i3m h LEU 255 Ca 0.29 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1i3m h LEU 255 Cb 0.10 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1i3m h LEU 255 CO -0.04 0.29 0.22 0.03 0.09 0.00 0.00 178.44 179.03 1i3m h ARG 256 N 0.34 0.71 -0.73 1.13 3.08 -1.20 -2.13 114.38 115.59 1i3m h ARG 256 Ca 0.10 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1i3m h ARG 256 Cb 0.03 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.91 1i3m h ARG 256 CO -0.02 0.57 0.47 -0.22 -1.07 0.00 0.00 179.97 179.70 1i3m h LYS 257 N 0.71 0.97 -0.90 0.04 1.63 -0.05 -2.47 116.57 116.50 1i3m h LYS 257 Ca 0.17 -0.07 0.10 0.00 -0.85 0.00 0.00 60.65 60.00 1i3m h LYS 257 Cb 0.11 -0.21 -0.06 0.00 -0.60 0.00 0.00 32.23 31.46 1i3m h LYS 257 CO -0.02 0.66 0.58 -0.07 -3.45 0.00 0.00 179.45 177.15 1i3m h LEU 258 N 0.99 0.81 -2.85 5.20 3.38 -0.59 -0.66 115.31 121.58 1i3m h LEU 258 Ca 0.26 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1i3m h LEU 258 Cb -0.08 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1i3m h LEU 258 CO -0.05 0.48 0.01 0.11 0.09 0.00 0.00 178.44 179.07 1i3m h LYS 259 N 0.90 0.00 0.00 1.13 1.57 -1.23 -0.40 116.57 118.54 1i3m h LYS 259 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 1i3m h LYS 259 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1i3m h LYS 259 CO -0.18 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.09 1i3m n GLU 260 N -3.26 0.56 -3.35 3.15 1.02 -0.25 -4.88 120.64 113.62 1i3m n GLU 260 Ca -0.03 0.01 -0.17 0.00 -0.02 0.00 0.00 57.16 56.96 1i3m n GLU 260 Cb 0.08 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.08 1i3m n GLU 260 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1i3m n GLN 261 N -1.20 -6.31 0.03 3.49 1.13 -0.16 -4.92 117.38 109.44 1i3m n GLN 261 Ca 0.16 0.78 0.09 0.00 -1.94 0.00 0.00 57.00 56.10 1i3m n GLN 261 Cb 0.19 -5.62 0.40 0.00 0.11 0.00 0.00 30.24 25.32 1i3m n GLN 261 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1i3m n GLY 263 N 0.35 0.46 3.62 0.00 0.00 -1.26 -4.59 105.19 103.76 1i3m n GLY 263 Ca 0.04 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.78 1i3m n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3m s ARG 265 N 2.46 1.22 -0.08 0.00 1.81 0.20 -4.95 118.95 119.61 1i3m s ARG 265 Ca 0.24 -0.84 0.02 0.00 -1.72 0.00 0.00 55.73 53.43 1i3m s ARG 265 Cb -0.15 -1.29 0.01 0.00 -0.45 0.00 0.00 34.95 33.07 1i3m s ARG 265 CO 0.09 0.33 -0.15 0.42 -0.68 0.00 0.00 175.30 175.31 1i3m s ILE 266 N -0.78 1.36 0.01 1.52 1.01 -1.26 -0.46 121.20 122.59 1i3m s ILE 266 Ca 0.05 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.11 1i3m s ILE 266 Cb -0.08 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.16 1i3m s ILE 266 CO 0.01 0.41 -0.03 -0.31 0.00 0.00 0.00 174.94 175.02 1i3m s TYR 267 N 0.68 0.22 0.33 3.97 1.51 -0.01 -4.97 117.35 119.08 1i3m s TYR 267 Ca -0.14 -0.16 -0.26 0.00 -1.01 0.00 0.00 57.07 55.50 1i3m s TYR 267 Cb -0.16 -0.14 -0.10 0.00 -0.11 0.00 0.00 41.96 41.45 1i3m s TYR 267 CO 0.04 -0.04 0.97 -0.80 -1.11 0.00 0.00 175.55 174.61 1i3m s ASN 268 N -0.44 7.24 -0.47 2.29 0.01 -1.26 -0.27 114.94 122.04 1i3m s ASN 268 Ca -0.03 1.91 0.04 0.00 -0.71 0.00 0.00 52.86 54.06 1i3m s ASN 268 Cb -0.03 -2.58 0.12 0.00 0.41 0.00 0.00 41.25 39.17 1i3m s ASN 268 CO -0.00 -0.14 0.21 -0.76 -1.51 0.00 0.00 177.10 174.90 1i3m s LEU 269 N -2.09 4.27 0.27 0.60 1.43 -0.31 -4.65 118.68 118.19 1i3m s LEU 269 Ca 0.51 -2.79 -0.06 0.00 -1.03 0.00 0.00 54.13 50.76 1i3m s LEU 269 Cb -0.20 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 1i3m s LEU 269 CO 0.26 -0.27 0.39 -0.83 0.23 0.00 0.00 176.35 176.13 1i3m s GLY 270 N 0.02 1.15 0.00 -3.19 0.00 -1.26 -2.08 107.32 101.96 1i3m s GLY 270 Ca 0.16 -1.34 0.18 0.00 0.00 0.00 0.00 44.72 43.71 1i3m s GLY 270 CO -0.02 -0.97 0.65 -1.30 0.00 0.00 0.00 173.10 171.46 1i3m n THR 271 N -0.43 1.08 -0.27 0.90 -2.24 -1.26 -4.55 114.28 107.51 1i3m n THR 271 Ca 0.00 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1i3m n THR 271 Cb 0.63 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 1i3m n THR 271 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i3m n GLY 272 N 1.44 0.75 3.30 3.38 0.00 -1.25 -4.85 105.19 107.95 1i3m n GLY 272 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 1i3m n GLY 272 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i3m s THR 273 N -2.61 3.03 0.01 2.61 2.01 -1.26 -4.76 115.64 114.68 1i3m s THR 273 Ca 0.00 -0.63 -0.04 0.00 0.31 0.00 0.00 61.69 61.34 1i3m s THR 273 Cb 0.00 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 1i3m s THR 273 CO 0.00 0.48 0.22 -0.83 -0.69 0.00 0.00 174.62 173.80 1i3m s GLY 274 N 1.08 2.20 0.03 4.40 0.00 -1.26 -4.16 107.32 109.62 1i3m s GLY 274 Ca 0.00 -0.70 0.04 0.00 0.00 0.00 0.00 44.72 44.06 1i3m s GLY 274 CO -0.02 -0.58 -0.12 -0.19 0.00 0.00 0.00 173.10 172.19 1i3m s TYR 275 N -1.36 1.05 0.63 1.90 2.02 0.20 -4.85 117.35 116.95 1i3m s TYR 275 Ca 0.29 -0.34 -0.06 0.00 -0.37 0.00 0.00 57.07 56.59 1i3m s TYR 275 Cb -0.13 -0.63 0.03 0.00 -0.40 0.00 0.00 41.96 40.83 1i3m s TYR 275 CO 0.19 0.01 0.94 -1.54 -1.57 0.00 0.00 175.55 173.58 1i3m s SER 276 N -1.08 5.29 0.14 2.29 1.04 -1.26 -1.27 113.70 118.86 1i3m s SER 276 Ca -0.00 0.60 -0.20 0.00 0.48 0.00 0.00 55.95 56.83 1i3m s SER 276 Cb -0.07 -1.46 0.02 0.00 0.10 0.00 0.00 66.02 64.61 1i3m s SER 276 CO 0.01 -1.27 1.68 0.58 0.98 0.00 0.00 173.24 175.22 1i3m h VAL 277 N -0.33 0.64 -0.81 5.02 2.07 -1.63 -0.80 116.25 120.41 1i3m h VAL 277 Ca -0.45 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1i3m h VAL 277 Cb 1.28 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 1i3m h VAL 277 CO 0.60 0.00 0.49 -0.07 0.02 0.00 0.00 177.57 178.61 1i3m h LEU 278 N -0.08 0.97 -0.90 2.57 3.38 -1.94 -0.56 115.31 118.75 1i3m h LEU 278 Ca 0.13 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1i3m h LEU 278 Cb 0.27 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1i3m h LEU 278 CO -0.30 0.74 0.16 1.56 0.09 0.00 0.00 178.44 180.69 1i3m h GLN 279 N 1.11 0.97 -0.45 1.13 4.20 -1.74 -0.06 115.11 120.27 1i3m h GLN 279 Ca 0.29 -0.21 -0.12 0.00 0.06 0.00 0.00 58.65 58.67 1i3m h GLN 279 Cb -0.05 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 1i3m h GLN 279 CO -0.06 0.86 -0.20 0.52 -0.67 0.00 0.00 178.83 179.28 1i3m h MET 280 N 0.93 0.90 -0.17 1.46 2.86 -0.28 0.13 114.93 120.76 1i3m h MET 280 Ca 0.20 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1i3m h MET 280 Cb 0.32 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1i3m h MET 280 CO -0.00 1.02 0.10 0.28 1.06 0.00 0.00 176.91 179.37 1i3m h VAL 281 N 0.79 1.06 -0.27 -2.22 2.07 -0.73 -0.50 116.25 116.45 1i3m h VAL 281 Ca 0.11 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1i3m h VAL 281 Cb 0.74 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1i3m h VAL 281 CO 0.06 0.06 0.14 -0.61 0.02 0.00 0.00 177.57 177.24 1i3m h GLN 282 N 0.20 0.38 -0.17 1.57 4.15 -0.82 -0.28 115.11 120.14 1i3m h GLN 282 Ca 0.06 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 1i3m h GLN 282 Cb 0.01 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 1i3m h GLN 282 CO -0.01 0.34 0.09 0.00 -1.93 0.00 0.00 178.83 177.32 1i3m h ALA 283 N 1.01 1.84 0.00 3.38 0.00 -0.75 -1.04 119.26 123.71 1i3m h ALA 283 Ca 0.09 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1i3m h ALA 283 Cb 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1i3m h ALA 283 CO -0.01 0.14 -0.72 0.52 0.00 0.00 0.00 179.25 179.18 1i3m h MET 284 N 0.23 0.00 -0.47 0.00 2.86 -0.36 -0.61 114.93 116.59 1i3m h MET 284 Ca 0.06 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.57 1i3m h MET 284 Cb 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1i3m h MET 284 CO -0.01 0.72 -0.22 0.93 1.06 0.00 0.00 176.91 179.39 1i3m h GLU 285 N 0.00 0.96 -0.30 1.72 5.08 0.12 0.21 114.58 122.37 1i3m h GLU 285 Ca -0.01 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 57.92 1i3m h GLU 285 Cb 1.31 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1i3m h GLU 285 CO 0.09 1.07 0.08 0.87 -1.00 0.00 0.00 179.01 180.12 1i3m h LYS 286 N 0.83 0.47 -0.48 2.33 1.57 -1.05 0.95 116.57 121.19 1i3m h LYS 286 Ca 0.11 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1i3m h LYS 286 Cb 0.78 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 1i3m h LYS 286 CO 0.07 0.54 0.08 0.00 -0.57 0.00 0.00 179.45 179.57 1i3m h ALA 287 N 0.91 0.63 0.00 3.86 0.00 -0.90 -3.28 119.26 120.48 1i3m h ALA 287 Ca 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1i3m h ALA 287 Cb 0.28 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1i3m h ALA 287 CO 0.00 0.35 -0.79 0.66 0.00 0.00 0.00 179.25 179.47 1i3m h SER 288 N 0.66 0.00 -0.14 0.00 4.64 -0.92 -3.47 113.55 114.31 1i3m h SER 288 Ca 0.15 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.40 1i3m h SER 288 Cb 0.38 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 1i3m h SER 288 CO 0.01 0.00 -0.05 0.61 -0.87 0.00 0.00 176.83 176.53 1i3m n GLY 289 N 1.17 0.57 3.62 -0.77 0.00 0.32 -5.00 105.19 105.10 1i3m n GLY 289 Ca 0.01 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 1i3m n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i3m s LYS 290 N -1.45 2.16 0.03 1.61 -0.14 -1.24 -5.07 119.74 115.64 1i3m s LYS 290 Ca 0.00 -1.55 -0.12 0.00 -1.36 0.00 0.00 55.97 52.94 1i3m s LYS 290 Cb 0.00 -2.06 -0.06 0.00 -1.68 0.00 0.00 37.83 34.04 1i3m s LYS 290 CO 0.00 0.29 0.40 0.15 -0.76 0.00 0.00 175.35 175.43 1i3m s LYS 291 N -3.67 3.84 -0.53 1.68 1.02 -1.26 -4.50 119.74 116.31 1i3m s LYS 291 Ca 0.32 0.30 0.04 0.00 0.02 0.00 0.00 55.97 56.65 1i3m s LYS 291 Cb -0.05 -3.12 0.14 0.00 -0.52 0.00 0.00 37.83 34.28 1i3m s LYS 291 CO 0.19 0.64 0.32 0.42 -0.92 0.00 0.00 175.35 176.00 1i3m s ILE 292 N -1.21 2.12 0.63 2.17 1.01 -1.26 -4.62 121.20 120.03 1i3m s ILE 292 Ca 0.27 -3.26 -0.18 0.00 0.00 0.00 0.00 60.65 57.48 1i3m s ILE 292 Cb -0.15 -2.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.85 1i3m s ILE 292 CO 0.15 -0.91 1.25 -2.84 0.00 0.00 0.00 174.94 172.59 1i3m s PRO 293 N -0.34 2.69 0.05 2.79 0.02 -1.26 -4.86 135.00 134.08 1i3m s PRO 293 Ca 0.20 1.95 -0.09 0.00 0.02 0.00 0.00 61.00 63.08 1i3m s PRO 293 Cb -0.18 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.47 1i3m s PRO 293 CO -0.05 -1.46 0.20 1.52 -0.33 0.00 0.00 177.00 176.87 1i3m s TYR 294 N -1.52 0.07 -0.02 6.54 1.13 -1.26 -1.35 117.35 120.95 1i3m s TYR 294 Ca 0.80 -0.35 0.02 0.00 -1.41 0.00 0.00 57.07 56.13 1i3m s TYR 294 Cb -0.34 -0.03 0.00 0.00 -1.10 0.00 0.00 41.96 40.49 1i3m s TYR 294 CO 0.37 -0.47 -0.06 0.15 -2.51 0.00 0.00 175.55 173.04 1i3m s LYS 295 N -2.93 0.65 -0.20 -3.49 1.02 0.80 -4.90 119.74 110.69 1i3m s LYS 295 Ca -0.02 -0.19 -0.22 0.00 0.02 0.00 0.00 55.97 55.56 1i3m s LYS 295 Cb 0.01 -0.64 -0.02 0.00 -0.52 0.00 0.00 37.83 36.65 1i3m s LYS 295 CO -0.06 0.06 0.67 0.08 -0.92 0.00 0.00 175.35 175.19 1i3m s VAL 296 N 0.23 4.99 0.02 3.17 1.01 -1.26 0.03 120.40 128.58 1i3m s VAL 296 Ca -0.03 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.22 1i3m s VAL 296 Cb -0.07 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1i3m s VAL 296 CO -0.00 0.08 0.00 1.33 0.00 0.00 0.00 175.10 176.51 1i3m n VAL 297 N 4.77 0.00 -1.21 2.92 0.24 0.11 -4.90 118.33 120.27 1i3m n VAL 297 Ca -0.00 -0.07 -0.31 0.00 -2.04 0.00 0.00 64.34 61.91 1i3m n VAL 297 Cb 0.49 -0.01 0.10 0.00 -1.47 0.00 0.00 33.84 32.96 1i3m n VAL 297 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1i3m s ALA 298 N -2.03 2.10 0.59 2.33 0.00 -1.26 -1.12 121.76 122.38 1i3m s ALA 298 Ca 0.00 0.42 -0.19 0.00 0.00 0.00 0.00 51.96 52.19 1i3m s ALA 298 Cb -0.00 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 1i3m s ALA 298 CO 0.00 -1.93 1.24 1.03 0.00 0.00 0.00 175.76 176.10 1i3m s ARG 299 N -4.67 2.96 -0.11 0.00 0.52 -1.26 -3.12 118.95 113.27 1i3m s ARG 299 Ca 0.64 1.91 -0.21 0.00 -0.52 0.00 0.00 55.73 57.55 1i3m s ARG 299 Cb -0.20 -1.98 -0.04 0.00 0.52 0.00 0.00 34.95 33.26 1i3m s ARG 299 CO 0.54 -1.24 0.63 0.50 0.02 0.00 0.00 175.30 175.75 1i3m s ARG 300 N -3.25 4.36 0.23 3.54 3.52 -1.26 -4.89 118.95 121.20 1i3m s ARG 300 Ca 0.77 0.71 -0.31 0.00 -0.13 0.00 0.00 55.73 56.77 1i3m s ARG 300 Cb -0.33 -3.47 -0.14 0.00 -1.56 0.00 0.00 34.95 29.45 1i3m s ARG 300 CO 0.36 0.02 1.19 -1.91 -0.81 0.00 0.00 175.30 174.15 1i3m n GLU 301 N 4.03 1.49 -0.94 5.12 2.13 -1.26 -1.06 120.64 130.15 1i3m n GLU 301 Ca -0.03 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.32 1i3m n GLU 301 Cb 0.51 -2.03 0.00 0.00 0.27 0.00 0.00 31.44 30.19 1i3m n GLU 301 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1i3m n GLY 302 N 1.76 0.79 3.77 8.31 0.00 -1.26 -5.01 105.19 113.55 1i3m n GLY 302 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1i3m n GLY 302 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i3m s ASP 303 N -2.72 7.13 0.07 1.61 1.01 -0.23 -5.05 116.67 118.49 1i3m s ASP 303 Ca 0.00 2.08 -0.05 0.00 0.71 0.00 0.00 52.55 55.29 1i3m s ASP 303 Cb 0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 1i3m s ASP 303 CO 0.00 -0.23 0.31 -0.69 0.21 0.00 0.00 175.17 174.77 1i3m s VAL 304 N -1.42 5.25 0.05 -1.27 1.01 -1.26 -5.00 120.40 117.76 1i3m s VAL 304 Ca 0.50 0.08 -0.24 0.00 0.00 0.00 0.00 61.98 62.32 1i3m s VAL 304 Cb -0.26 -3.60 -0.17 0.00 0.00 0.00 0.00 36.38 32.36 1i3m s VAL 304 CO 0.32 0.22 1.54 0.00 0.00 0.00 0.00 175.10 177.19 1i3m h ALA 305 N 3.46 0.02 -3.00 5.51 0.00 -1.97 -3.44 119.26 119.84 1i3m h ALA 305 Ca -0.48 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.17 1i3m h ALA 305 Cb 1.18 -0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.72 1i3m h ALA 305 CO 0.70 -0.37 -0.41 0.00 0.00 0.00 0.00 179.25 179.16 1i3m s ALA 306 N -5.37 -0.60 -0.15 0.00 0.00 -1.26 -1.06 121.76 113.33 1i3m s ALA 306 Ca -0.14 0.55 -0.06 0.00 0.00 0.00 0.00 51.96 52.31 1i3m s ALA 306 Cb 0.04 -0.28 0.07 0.00 0.00 0.00 0.00 23.12 22.95 1i3m s ALA 306 CO 0.67 -0.15 0.32 0.00 0.00 0.00 0.00 175.76 176.60 1i3m s TYR 308 N 2.17 -0.33 0.27 0.00 -0.85 -1.26 -2.18 117.35 115.16 1i3m s TYR 308 Ca -0.02 0.14 -0.02 0.00 -0.52 0.00 0.00 57.07 56.65 1i3m s TYR 308 Cb -0.11 0.34 -0.04 0.00 0.38 0.00 0.00 41.96 42.52 1i3m s TYR 308 CO -0.10 -0.71 0.49 0.00 -1.52 0.00 0.00 175.55 173.71 1i3m s ALA 309 N -3.36 3.72 -0.43 9.51 0.00 -1.26 -1.22 121.76 128.72 1i3m s ALA 309 Ca -0.00 -0.76 -0.15 0.00 0.00 0.00 0.00 51.96 51.05 1i3m s ALA 309 Cb 0.00 -2.13 0.05 0.00 0.00 0.00 0.00 23.12 21.04 1i3m s ALA 309 CO -0.09 0.25 0.33 1.21 0.00 0.00 0.00 175.76 177.46 1i3m s ASN 310 N -3.39 6.07 -0.01 0.00 3.04 0.17 -3.91 114.94 116.91 1i3m s ASN 310 Ca 0.41 -1.12 0.10 0.00 0.04 0.00 0.00 52.86 52.29 1i3m s ASN 310 Cb -0.10 -2.15 0.31 0.00 -1.54 0.00 0.00 41.25 37.76 1i3m s ASN 310 CO 0.31 -0.53 1.23 -0.81 -3.04 0.00 0.00 177.10 174.26 1i3m n PRO 311 N 5.15 1.89 0.01 0.43 -0.04 -1.26 -4.50 135.00 136.67 1i3m n PRO 311 Ca -0.12 -1.24 -0.12 0.00 -0.04 0.00 0.00 63.50 61.98 1i3m n PRO 311 Cb 0.45 -1.32 -0.06 0.00 -0.04 0.00 0.00 33.50 32.53 1i3m n PRO 311 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1i3m h SER 312 N 1.97 0.08 -0.40 3.54 0.02 -1.96 -2.62 113.55 114.18 1i3m h SER 312 Ca 0.00 -0.07 0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1i3m h SER 312 Cb 0.53 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 1i3m h SER 312 CO 0.02 0.13 0.20 0.25 -1.14 0.00 0.00 176.83 176.29 1i3m h LEU 313 N 0.03 0.29 -0.76 5.07 5.85 -1.96 -1.10 115.31 122.72 1i3m h LEU 313 Ca 0.02 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.81 1i3m h LEU 313 Cb 0.07 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 1i3m h LEU 313 CO -0.00 0.21 0.47 0.00 -0.34 0.00 0.00 178.44 178.77 1i3m h ALA 314 N 1.21 1.01 -0.16 1.25 0.00 -1.82 0.20 119.26 120.96 1i3m h ALA 314 Ca 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1i3m h ALA 314 Cb 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1i3m h ALA 314 CO -0.12 0.23 0.08 0.37 0.00 0.00 0.00 179.25 179.80 1i3m h GLN 315 N 0.89 0.24 0.11 0.00 4.15 -1.06 -0.65 115.11 118.79 1i3m h GLN 315 Ca 0.32 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.70 1i3m h GLN 315 Cb 0.09 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.74 1i3m h GLN 315 CO -0.14 0.28 -0.05 1.49 -1.93 0.00 0.00 178.83 178.48 1i3m h GLU 316 N 0.13 -0.14 0.00 1.69 4.57 -0.71 -2.06 114.58 118.06 1i3m h GLU 316 Ca 0.06 0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.11 1i3m h GLU 316 Cb 0.13 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 1i3m h GLU 316 CO -0.01 0.10 -0.74 0.93 -1.18 0.00 0.00 179.01 178.12 1i3m h GLU 317 N -0.37 0.00 0.00 1.92 5.08 -0.70 -3.37 114.58 117.15 1i3m h GLU 317 Ca -0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1i3m h GLU 317 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1i3m h GLU 317 CO 0.02 1.00 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.78 1i3m h LEU 318 N -0.99 0.00 1.17 1.33 3.38 -1.37 -3.48 115.31 115.36 1i3m h LEU 318 Ca -0.20 -0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.53 1i3m h LEU 318 Cb 1.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 1i3m h LEU 318 CO -0.12 0.02 -0.23 0.61 0.09 0.00 0.00 178.44 178.81 1i3m n GLY 319 N 1.24 0.24 3.20 0.83 0.00 -0.36 -4.89 105.19 105.45 1i3m n GLY 319 Ca 0.04 -0.50 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 1i3m n GLY 319 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1i3m s TRP 320 N -2.46 1.52 0.01 1.61 -0.00 -0.95 -4.96 118.94 113.72 1i3m s TRP 320 Ca 0.00 -0.36 -0.06 0.00 -0.00 0.00 0.00 56.10 55.68 1i3m s TRP 320 Cb 0.00 -0.91 -0.00 0.00 -0.00 0.00 0.00 33.47 32.56 1i3m s TRP 320 CO 0.00 0.06 0.10 0.95 -0.00 0.00 0.00 176.95 178.07 1i3m s THR 321 N -0.81 0.09 0.03 5.86 -4.23 -1.26 -2.76 115.64 112.56 1i3m s THR 321 Ca 0.05 -0.74 -0.30 0.00 -1.18 0.00 0.00 61.69 59.52 1i3m s THR 321 Cb -0.08 -0.40 -0.04 0.00 1.34 0.00 0.00 72.50 73.31 1i3m s THR 321 CO 0.01 -0.41 1.12 0.00 -0.54 0.00 0.00 174.62 174.81 1i3m s ALA 322 N -1.41 3.32 -0.09 3.99 0.00 -1.26 -4.94 121.76 121.37 1i3m s ALA 322 Ca -0.15 0.71 0.22 0.00 0.00 0.00 0.00 51.96 52.74 1i3m s ALA 322 Cb -0.08 -3.41 -0.25 0.00 0.00 0.00 0.00 23.12 19.37 1i3m s ALA 322 CO 0.01 -0.39 0.62 0.00 0.00 0.00 0.00 175.76 175.99 1i3m n ALA 323 N 4.05 2.70 -2.71 0.00 0.00 -1.26 -4.94 120.51 118.35 1i3m n ALA 323 Ca 0.08 -0.46 -0.36 0.00 0.00 0.00 0.00 53.44 52.69 1i3m n ALA 323 Cb 0.48 -0.83 -0.08 0.00 0.00 0.00 0.00 19.45 19.02 1i3m n ALA 323 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i3m s LEU 324 N -4.77 4.21 0.00 0.00 1.43 -1.26 -5.07 118.68 113.22 1i3m s LEU 324 Ca -0.06 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1i3m s LEU 324 Cb 0.13 -2.28 0.05 0.00 0.03 0.00 0.00 46.19 44.12 1i3m s LEU 324 CO 0.88 0.10 0.38 0.61 0.23 0.00 0.00 176.35 178.54 1i3m n GLY 325 N 3.60 0.79 0.31 -3.19 0.00 -1.26 -4.64 105.19 100.81 1i3m n GLY 325 Ca -0.13 -2.00 -0.07 0.00 0.00 0.00 0.00 46.02 43.83 1i3m n GLY 325 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1i3m h LEU 326 N 0.00 -0.97 -0.67 0.99 5.85 -1.97 -0.93 115.31 117.61 1i3m h LEU 326 Ca -0.12 0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1i3m h LEU 326 Cb 0.47 0.47 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 1i3m h LEU 326 CO 0.14 -0.30 0.40 0.44 -0.34 0.00 0.00 178.44 178.78 1i3m h ASP 327 N -0.21 0.62 -0.40 1.25 3.32 -1.95 -0.43 116.42 118.62 1i3m h ASP 327 Ca 0.19 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1i3m h ASP 327 Cb 0.51 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1i3m h ASP 327 CO -0.54 0.42 0.19 -0.09 -1.72 0.00 0.00 179.24 177.51 1i3m h ARG 328 N 0.76 0.58 -0.55 3.56 9.65 -1.80 0.46 114.38 127.04 1i3m h ARG 328 Ca 0.28 -0.09 0.03 0.00 -1.10 0.00 0.00 59.98 59.11 1i3m h ARG 328 Cb 0.10 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 28.54 1i3m h ARG 328 CO -0.14 0.51 0.32 0.52 2.80 0.00 0.00 179.97 183.98 1i3m h MET 329 N 0.51 0.62 -0.36 0.20 2.86 -0.82 0.95 114.93 118.89 1i3m h MET 329 Ca 0.14 -0.04 -0.15 0.00 -2.06 0.00 0.00 59.70 57.59 1i3m h MET 329 Cb 0.12 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.63 1i3m h MET 329 CO -0.02 0.41 -0.38 0.00 1.06 0.00 0.00 176.91 177.98 1i3m h GLU 331 N 0.69 0.28 -0.45 0.00 4.81 0.20 0.53 114.58 120.65 1i3m h GLU 331 Ca 0.05 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 1i3m h GLU 331 Cb 0.97 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.28 1i3m h GLU 331 CO 0.09 0.25 -0.09 -0.44 -0.73 0.00 0.00 179.01 178.10 1i3m h ASP 332 N 0.23 0.78 -0.23 1.04 3.32 -0.75 -1.78 116.42 119.02 1i3m h ASP 332 Ca 0.07 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 56.84 1i3m h ASP 332 Cb 0.05 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1i3m h ASP 332 CO -0.01 0.90 -0.07 0.25 -1.72 0.00 0.00 179.24 178.59 1i3m h LEU 333 N 0.72 0.47 -0.49 1.55 5.85 -0.85 -2.54 115.31 120.01 1i3m h LEU 333 Ca 0.13 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.50 1i3m h LEU 333 Cb 0.56 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 1i3m h LEU 333 CO 0.03 0.73 0.27 -0.25 -0.34 0.00 0.00 178.44 178.89 1i3m h TRP 334 N 0.19 0.51 -0.23 1.25 2.91 -0.72 -1.64 115.95 118.22 1i3m h TRP 334 Ca 0.06 0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.14 1i3m h TRP 334 Cb 0.54 -0.16 -0.04 0.00 -0.51 0.00 0.00 29.16 28.98 1i3m h TRP 334 CO 0.05 0.28 -0.06 -0.09 -1.03 0.00 0.00 178.44 177.59 1i3m h ARG 335 N 0.54 -0.01 -0.10 2.65 2.43 -1.29 0.30 114.38 118.91 1i3m h ARG 335 Ca 0.20 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 1i3m h ARG 335 Cb 0.06 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1i3m h ARG 335 CO -0.11 -0.00 -0.08 2.35 -1.51 0.00 0.00 179.97 180.61 1i3m h TRP 336 N -0.01 -0.20 -0.56 2.20 2.91 -1.19 -0.07 115.95 119.04 1i3m h TRP 336 Ca 0.11 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.12 1i3m h TRP 336 Cb 0.18 0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 28.90 1i3m h TRP 336 CO -0.24 -0.13 0.25 0.37 -1.03 0.00 0.00 178.44 177.66 1i3m h GLN 337 N -0.09 0.81 -0.34 2.65 5.75 -0.62 -0.80 115.11 122.47 1i3m h GLN 337 Ca 0.07 -0.13 -0.09 0.00 -0.15 0.00 0.00 58.65 58.35 1i3m h GLN 337 Cb 0.19 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 1i3m h GLN 337 CO -0.16 0.68 -0.12 -0.22 -2.65 0.00 0.00 178.83 176.37 1i3m h LYS 338 N 0.75 0.68 0.00 1.69 3.64 -0.26 -2.77 116.57 120.31 1i3m h LYS 338 Ca 0.19 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1i3m h LYS 338 Cb 0.16 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1i3m h LYS 338 CO -0.02 0.87 0.00 1.96 -2.27 0.00 0.00 179.45 179.99 1i3m h GLN 339 N 0.46 0.00 -2.27 1.90 4.20 -0.98 -3.36 115.11 115.07 1i3m h GLN 339 Ca 0.08 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.21 1i3m h GLN 339 Cb 0.64 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 28.03 1i3m h GLN 339 CO 0.04 0.00 -0.96 0.09 -0.67 0.00 0.00 178.83 177.33 1i3m n ASN 340 N -3.02 0.47 0.29 1.46 3.02 -0.31 -4.97 115.26 112.19 1i3m n ASN 340 Ca 0.03 -2.67 0.18 0.00 -0.03 0.00 0.00 54.58 52.08 1i3m n ASN 340 Cb 0.42 -0.62 0.98 0.00 -0.61 0.00 0.00 39.78 39.95 1i3m n ASN 340 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1i3m h PRO 341 N 4.82 0.00 -0.14 3.52 0.11 -1.65 -1.73 132.00 136.93 1i3m h PRO 341 Ca 0.17 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.22 1i3m h PRO 341 Cb 0.86 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.94 1i3m h PRO 341 CO 0.48 0.00 -0.21 0.43 -0.21 0.00 0.00 178.00 178.48 1i3m n SER 342 N -3.52 2.31 0.00 -2.05 7.64 -1.26 -5.06 113.62 111.67 1i3m n SER 342 Ca -0.02 -3.61 0.00 0.00 1.01 0.00 0.00 58.87 56.25 1i3m n SER 342 Cb 0.17 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 1i3m n SER 342 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i3m n GLY 343 N -1.12 1.04 0.16 0.23 0.00 -0.65 -3.28 105.19 101.56 1i3m n GLY 343 Ca 0.23 -0.73 0.02 0.00 0.00 0.00 0.00 46.02 45.54 1i3m n GLY 343 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1i3m h PHE 344 N 0.00 0.00 -2.09 1.61 0.04 -1.93 -3.46 116.94 111.11 1i3m h PHE 344 Ca 0.00 0.00 0.32 0.00 2.80 0.00 0.00 57.97 61.09 1i3m h PHE 344 Cb 0.00 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.09 1i3m h PHE 344 CO 0.00 0.50 0.84 0.41 -0.60 0.00 0.00 178.31 179.45 1i3m n GLY 345 N 0.12 0.25 0.00 -1.45 0.00 -1.21 -5.07 105.19 97.84 1i3m n GLY 345 Ca -0.01 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1i3m n GLY 345 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95