#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i3m s GLU 3 N 0.00 4.46 0.78 0.00 2.02 -1.26 -4.98 118.70 119.71 1i3m s GLU 3 Ca 0.00 1.00 -0.11 0.00 0.02 0.00 0.00 54.97 55.88 1i3m s GLU 3 Cb 0.00 -3.33 0.07 0.00 0.10 0.00 0.00 34.13 30.96 1i3m s GLU 3 CO 0.00 0.38 1.15 0.15 0.02 0.00 0.00 175.26 176.96 1i3m s LYS 4 N -0.37 2.16 -0.13 1.61 -0.14 -0.92 -4.66 119.74 117.29 1i3m s LYS 4 Ca 0.36 0.15 0.02 0.00 -1.36 0.00 0.00 55.97 55.14 1i3m s LYS 4 Cb -0.21 -1.98 0.01 0.00 -1.68 0.00 0.00 37.83 33.97 1i3m s LYS 4 CO 0.22 -1.45 -0.19 0.08 -0.76 0.00 0.00 175.35 173.25 1i3m s VAL 5 N -3.51 1.84 -0.01 3.17 1.01 -0.76 0.20 120.40 122.35 1i3m s VAL 5 Ca 0.61 -0.84 -0.23 0.00 0.00 0.00 0.00 61.98 61.52 1i3m s VAL 5 Cb -0.11 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 1i3m s VAL 5 CO 0.49 0.51 0.70 -0.22 0.00 0.00 0.00 175.10 176.58 1i3m s LEU 6 N 0.98 4.40 -0.30 3.92 2.96 -0.49 -1.41 118.68 128.73 1i3m s LEU 6 Ca -0.05 1.28 0.03 0.00 -0.22 0.00 0.00 54.13 55.18 1i3m s LEU 6 Cb -0.15 -3.10 0.08 0.00 0.50 0.00 0.00 46.19 43.52 1i3m s LEU 6 CO -0.04 -0.01 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.27 1i3m s VAL 7 N 0.20 2.21 0.28 1.68 1.01 0.33 -0.54 120.40 125.57 1i3m s VAL 7 Ca 0.36 -1.99 -0.21 0.00 0.00 0.00 0.00 61.98 60.14 1i3m s VAL 7 Cb -0.19 -2.48 -0.09 0.00 0.00 0.00 0.00 36.38 33.62 1i3m s VAL 7 CO 0.20 -0.32 0.80 0.42 0.00 0.00 0.00 175.10 176.19 1i3m s THR 8 N 1.01 4.49 -1.73 3.92 -4.23 -0.37 -1.84 115.64 116.87 1i3m s THR 8 Ca 0.01 1.38 0.00 0.00 -1.18 0.00 0.00 61.69 61.90 1i3m s THR 8 Cb -0.19 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 69.81 1i3m s THR 8 CO -0.07 0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1i3m n GLY 9 N 0.38 0.55 0.00 3.99 0.00 0.29 -1.83 105.19 108.57 1i3m n GLY 9 Ca 0.01 -0.13 0.04 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.89 -0.74 0.29 -0.02 0.00 -1.09 -2.82 105.19 99.92 1i3m n GLY 10 Ca -0.20 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.44 3.43 -1.00 4.61 0.00 -1.26 -1.75 120.51 123.10 1i3m n ALA 11 Ca 0.03 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1i3m n ALA 11 Cb 0.09 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.40 -1.55 0.22 0.00 0.00 -1.13 -4.57 105.19 99.56 1i3m n GLY 12 Ca 0.10 -1.58 -0.09 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.97 -0.54 -0.39 1.61 3.20 -1.88 -0.47 116.97 117.52 1i3m h TYR 13 Ca 0.00 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.70 1i3m h TYR 13 Cb 0.00 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 1i3m h TYR 13 CO 0.00 -0.32 -0.36 0.82 -1.64 0.00 0.00 178.16 176.65 1i3m h ILE 14 N -0.55 1.27 -0.39 1.81 2.04 -1.95 -3.16 117.51 116.59 1i3m h ILE 14 Ca -0.05 -1.54 0.03 0.00 1.00 0.00 0.00 64.86 64.30 1i3m h ILE 14 Cb 0.43 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 1i3m h ILE 14 CO 0.08 0.52 0.18 1.23 0.00 0.00 0.00 178.15 180.16 1i3m h GLY 15 N 0.81 0.53 1.00 5.37 0.00 -1.77 0.04 103.07 109.04 1i3m h GLY 15 Ca 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1i3m h GLY 15 CO 0.09 0.09 0.38 1.48 0.00 0.00 0.00 176.54 178.57 1i3m h SER 16 N 0.38 0.81 -0.35 0.19 4.64 -0.22 0.28 113.55 119.28 1i3m h SER 16 Ca 0.17 -0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 61.35 1i3m h SER 16 Cb 0.09 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 1i3m h SER 16 CO -0.13 0.66 0.02 0.45 -0.87 0.00 0.00 176.83 176.96 1i3m h HIS 17 N 0.90 0.74 -0.32 4.77 -0.00 -1.46 -1.71 115.15 118.06 1i3m h HIS 17 Ca 0.23 -0.09 -0.17 0.00 -0.00 0.00 0.00 60.37 60.35 1i3m h HIS 17 Cb 0.01 -0.21 -0.00 0.00 -0.00 0.00 0.00 27.41 27.21 1i3m h HIS 17 CO -0.01 0.68 -0.47 1.15 -0.00 0.00 0.00 177.93 179.28 1i3m h THR 18 N 0.67 1.28 -0.82 2.45 2.02 -0.11 -2.04 112.91 116.35 1i3m h THR 18 Ca 0.14 -1.65 0.03 0.00 0.77 0.00 0.00 66.41 65.69 1i3m h THR 18 Cb 0.38 1.52 -0.05 0.00 -1.74 0.00 0.00 68.15 68.27 1i3m h THR 18 CO 0.01 0.54 0.53 0.58 0.37 0.00 0.00 175.52 177.56 1i3m h VAL 19 N 0.69 1.14 -0.17 3.16 2.07 -0.12 0.26 116.25 123.28 1i3m h VAL 19 Ca 0.04 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.22 1i3m h VAL 19 Cb 1.07 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1i3m h VAL 19 CO 0.11 0.19 0.04 0.25 0.02 0.00 0.00 177.57 178.18 1i3m h LEU 20 N 1.04 0.02 -1.10 2.57 6.46 -1.13 -0.20 115.31 122.98 1i3m h LEU 20 Ca 0.33 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 58.11 1i3m h LEU 20 Cb -0.01 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 39.91 1i3m h LEU 20 CO -0.11 0.04 0.53 -0.33 -0.62 0.00 0.00 178.44 177.95 1i3m h GLU 21 N 0.11 1.14 -0.06 1.25 4.39 -0.73 -1.29 114.58 119.39 1i3m h GLU 21 Ca 0.08 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1i3m h GLU 21 Cb 0.06 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.46 1i3m h GLU 21 CO -0.09 0.79 0.03 -0.07 -1.16 0.00 0.00 179.01 178.50 1i3m h LEU 22 N 1.17 0.09 -0.45 1.33 3.38 -0.52 0.49 115.31 120.80 1i3m h LEU 22 Ca 0.31 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.18 1i3m h LEU 22 Cb -0.08 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1i3m h LEU 22 CO -0.06 0.21 0.20 -0.07 0.09 0.00 0.00 178.44 178.80 1i3m h LEU 23 N -0.04 0.25 -1.26 1.67 3.38 -0.68 -0.18 115.31 118.45 1i3m h LEU 23 Ca 0.02 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1i3m h LEU 23 Cb 0.15 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1i3m h LEU 23 CO -0.00 0.18 -0.12 -0.33 0.09 0.00 0.00 178.44 178.26 1i3m h GLU 24 N 0.39 0.36 -0.19 1.13 5.08 -1.10 -2.04 114.58 118.20 1i3m h GLU 24 Ca 0.21 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1i3m h GLU 24 Cb 0.16 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1i3m h GLU 24 CO -0.18 0.49 0.00 0.00 -1.00 0.00 0.00 179.01 178.32 1i3m n ALA 25 N -2.48 2.49 -0.70 3.43 0.00 0.15 -4.89 120.51 118.50 1i3m n ALA 25 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1i3m n ALA 25 Cb 0.29 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 0.73 0.64 3.96 0.00 0.00 -0.77 -5.04 105.19 104.71 1i3m n GLY 26 Ca 0.05 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 2.93 -0.39 1.61 2.02 -0.17 -5.02 117.35 116.33 1i3m s TYR 27 Ca 0.00 0.17 0.03 0.00 -0.37 0.00 0.00 57.07 56.90 1i3m s TYR 27 Cb 0.00 -2.82 0.11 0.00 -0.40 0.00 0.00 41.96 38.85 1i3m s TYR 27 CO 0.00 -0.96 0.15 -0.51 -1.57 0.00 0.00 175.55 172.66 1i3m s LEU 28 N -4.88 3.68 0.43 -1.29 1.43 -1.26 -4.45 118.68 112.34 1i3m s LEU 28 Ca 0.57 -2.33 -0.11 0.00 -1.03 0.00 0.00 54.13 51.23 1i3m s LEU 28 Cb -0.10 -1.34 -0.06 0.00 0.03 0.00 0.00 46.19 44.71 1i3m s LEU 28 CO 0.40 -0.33 0.81 -2.16 0.23 0.00 0.00 176.35 175.30 1i3m s PRO 29 N 0.68 3.77 -0.16 1.29 0.04 -1.26 -1.83 135.00 137.54 1i3m s PRO 29 Ca 0.13 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.69 1i3m s PRO 29 Cb -0.21 -2.35 0.03 0.00 0.04 0.00 0.00 34.50 32.01 1i3m s PRO 29 CO -0.08 -0.10 -0.11 0.08 0.04 0.00 0.00 177.00 176.83 1i3m s VAL 30 N -2.46 1.46 -0.10 -0.36 1.01 -0.50 -4.00 120.40 115.45 1i3m s VAL 30 Ca 0.52 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 1i3m s VAL 30 Cb -0.10 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1i3m s VAL 30 CO 0.33 0.33 -0.06 -0.69 0.00 0.00 0.00 175.10 175.01 1i3m s VAL 31 N 1.51 3.77 0.09 2.92 1.01 0.89 -0.51 120.40 130.08 1i3m s VAL 31 Ca 0.03 -0.43 0.09 0.00 0.00 0.00 0.00 61.98 61.66 1i3m s VAL 31 Cb -0.14 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 1i3m s VAL 31 CO -0.09 0.56 -0.22 0.27 0.00 0.00 0.00 175.10 175.62 1i3m s ILE 32 N -0.41 1.84 -0.13 2.22 -4.36 -0.77 -1.19 121.20 118.40 1i3m s ILE 32 Ca 0.06 -1.52 -0.30 0.00 -0.26 0.00 0.00 60.65 58.63 1i3m s ILE 32 Cb -0.12 -1.64 0.11 0.00 1.25 0.00 0.00 42.46 42.06 1i3m s ILE 32 CO 0.02 0.04 0.93 -0.62 0.24 0.00 0.00 174.94 175.55 1i3m s ASP 33 N -1.77 -0.43 0.00 4.36 2.15 -1.20 -0.55 116.67 119.24 1i3m s ASP 33 Ca 0.08 0.45 0.11 0.00 0.43 0.00 0.00 52.55 53.63 1i3m s ASP 33 Cb -0.10 0.35 0.29 0.00 -0.30 0.00 0.00 42.92 43.16 1i3m s ASP 33 CO 0.04 -0.41 1.20 -0.46 -0.17 0.00 0.00 175.17 175.38 1i3m n ASN 34 N 0.72 2.81 -1.00 -0.34 6.94 -1.13 -1.07 115.26 122.19 1i3m n ASN 34 Ca -0.12 -1.92 -0.13 0.00 -0.02 0.00 0.00 54.58 52.39 1i3m n ASN 34 Cb 0.58 -0.20 -0.06 0.00 -2.36 0.00 0.00 39.78 37.74 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 0.59 0.00 -0.34 -2.53 3.01 -1.26 -4.87 117.46 112.06 1i3m n PHE 35 Ca 0.11 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.57 1i3m n PHE 35 Cb 0.41 -2.48 0.16 0.00 -0.01 0.00 0.00 39.48 37.56 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 1.18 -0.50 1.38 2.76 -1.99 -3.29 115.15 114.69 1i3m h HIS 36 Ca -0.27 0.03 -0.26 0.00 -2.20 0.00 0.00 60.37 57.67 1i3m h HIS 36 Cb 0.94 -0.40 -0.37 0.00 1.55 0.00 0.00 27.41 29.13 1i3m h HIS 36 CO 0.42 0.71 -1.05 -1.71 -1.30 0.00 0.00 177.93 175.01 1i3m n ASN 37 N -4.41 1.20 -3.83 3.26 5.15 -1.26 -5.06 115.26 110.31 1i3m n ASN 37 Ca 0.12 -2.19 -0.12 0.00 -0.60 0.00 0.00 54.58 51.79 1i3m n ASN 37 Cb 0.06 -0.35 -0.12 0.00 -0.53 0.00 0.00 39.78 38.83 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 -3.24 -0.32 -0.04 5.20 0.00 -1.24 -4.79 121.76 117.33 1i3m s ALA 38 Ca 0.25 0.31 -0.25 0.00 0.00 0.00 0.00 51.96 52.28 1i3m s ALA 38 Cb 0.36 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 1i3m s ALA 38 CO -0.03 -0.08 0.75 0.12 0.00 0.00 0.00 175.76 176.52 1i3m s PHE 39 N -0.09 3.62 0.23 0.00 5.36 -1.26 -4.66 117.98 121.17 1i3m s PHE 39 Ca -0.02 1.36 -0.30 0.00 -0.96 0.00 0.00 56.93 57.01 1i3m s PHE 39 Cb -0.02 -2.86 -0.09 0.00 -0.34 0.00 0.00 43.02 39.72 1i3m s PHE 39 CO 0.00 0.10 1.07 1.03 -1.46 0.00 0.00 175.22 175.97 1i3m s ARG 40 N 0.69 4.65 0.83 10.12 0.52 -1.26 -2.13 118.95 132.36 1i3m s ARG 40 Ca 0.40 1.71 -0.10 0.00 -0.52 0.00 0.00 55.73 57.22 1i3m s ARG 40 Cb -0.19 -3.24 0.18 0.00 0.52 0.00 0.00 34.95 32.22 1i3m s ARG 40 CO 0.20 0.20 1.13 0.41 0.02 0.00 0.00 175.30 177.26 1i3m n GLY 41 N 1.63 -0.74 0.22 -3.53 0.00 -1.02 -4.57 105.19 97.18 1i3m n GLY 41 Ca 0.00 -1.82 0.07 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.25 0.00 0.00 -0.02 0.00 -1.91 -3.44 103.07 96.44 1i3m h GLY 42 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1i3m h GLY 42 CO 0.30 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.45 1i3m n GLY 43 N -0.39 2.81 0.28 4.60 0.00 -1.26 -5.03 105.19 106.21 1i3m n GLY 43 Ca -0.01 -1.99 -0.11 0.00 0.00 0.00 0.00 46.02 43.91 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 1.00 -4.04 1.61 4.64 -2.02 -3.45 113.55 111.29 1i3m h SER 44 Ca 0.00 -0.36 -0.49 0.00 -0.47 0.00 0.00 61.79 60.47 1i3m h SER 44 Cb 0.00 -0.27 0.04 0.00 -0.31 0.00 0.00 62.40 61.86 1i3m h SER 44 CO 0.00 1.15 0.42 -0.76 -0.87 0.00 0.00 176.83 176.77 1i3m s LEU 45 N -9.08 3.92 0.55 5.97 1.43 -1.26 -4.85 118.68 115.36 1i3m s LEU 45 Ca -0.11 2.07 -0.21 0.00 -1.03 0.00 0.00 54.13 54.85 1i3m s LEU 45 Cb 0.13 -4.43 -0.05 0.00 0.03 0.00 0.00 46.19 41.87 1i3m s LEU 45 CO 0.87 -0.83 1.26 -2.84 0.23 0.00 0.00 176.35 175.03 1i3m s PRO 46 N -2.99 3.15 0.24 1.29 0.02 -1.26 -2.43 135.00 133.01 1i3m s PRO 46 Ca 0.66 1.98 -0.05 0.00 0.02 0.00 0.00 61.00 63.60 1i3m s PRO 46 Cb -0.21 -2.13 0.38 0.00 0.02 0.00 0.00 34.50 32.56 1i3m s PRO 46 CO 0.25 -1.10 1.79 1.49 -0.33 0.00 0.00 177.00 179.10 1i3m h GLU 47 N 1.29 0.65 -0.58 5.54 4.57 -1.67 -0.30 114.58 124.08 1i3m h GLU 47 Ca -0.50 -0.04 0.10 0.00 -1.18 0.00 0.00 59.36 57.74 1i3m h GLU 47 Cb 1.29 -0.15 -0.08 0.00 -0.16 0.00 0.00 28.75 29.66 1i3m h GLU 47 CO 0.57 0.43 0.13 0.66 -1.18 0.00 0.00 179.01 179.62 1i3m h SER 48 N 0.67 0.03 1.08 1.04 4.64 -1.86 -1.06 113.55 118.09 1i3m h SER 48 Ca 0.38 0.10 -0.10 0.00 -0.47 0.00 0.00 61.79 61.70 1i3m h SER 48 Cb 0.40 0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 1i3m h SER 48 CO -0.27 0.03 -0.47 -0.07 -0.87 0.00 0.00 176.83 175.17 1i3m h LEU 49 N 0.27 0.00 -0.61 5.97 3.38 -1.64 -0.93 115.31 121.75 1i3m h LEU 49 Ca 0.30 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.18 1i3m h LEU 49 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1i3m h LEU 49 CO -0.37 0.47 0.04 -0.09 0.09 0.00 0.00 178.44 178.58 1i3m h ARG 50 N 0.00 1.05 -0.34 1.13 2.43 -0.09 -0.17 114.38 118.39 1i3m h ARG 50 Ca -0.00 -0.31 -0.13 0.00 -0.81 0.00 0.00 59.98 58.72 1i3m h ARG 50 Cb 1.14 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 1i3m h ARG 50 CO 0.06 1.01 -0.31 0.00 -1.51 0.00 0.00 179.97 179.22 1i3m h ARG 51 N 0.95 0.74 -0.55 0.20 3.08 -1.00 -2.18 114.38 115.61 1i3m h ARG 51 Ca 0.18 -0.34 -0.05 0.00 0.07 0.00 0.00 59.98 59.84 1i3m h ARG 51 Cb 0.50 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 1i3m h ARG 51 CO 0.02 0.95 0.13 0.28 -1.07 0.00 0.00 179.97 180.28 1i3m h VAL 52 N 0.63 1.23 -0.52 2.04 2.07 -0.72 0.77 116.25 121.74 1i3m h VAL 52 Ca 0.07 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 1i3m h VAL 52 Cb 0.83 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1i3m h VAL 52 CO 0.07 0.31 0.33 -0.61 0.02 0.00 0.00 177.57 177.69 1i3m h GLN 53 N 0.82 0.70 0.02 1.57 4.15 -0.66 -1.68 115.11 120.04 1i3m h GLN 53 Ca 0.18 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.54 1i3m h GLN 53 Cb 0.31 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1i3m h GLN 53 CO -0.00 0.50 -0.01 1.49 -1.93 0.00 0.00 178.83 178.88 1i3m h GLU 54 N 0.70 -0.02 -0.71 1.69 4.81 -0.76 0.21 114.58 120.50 1i3m h GLU 54 Ca 0.19 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.49 1i3m h GLU 54 Cb -0.04 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.29 1i3m h GLU 54 CO -0.04 0.12 0.40 -0.07 -0.73 0.00 0.00 179.01 178.68 1i3m h LEU 55 N -0.15 0.58 0.00 1.64 3.38 -0.73 -3.11 115.31 116.92 1i3m h LEU 55 Ca -0.00 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1i3m h LEU 55 Cb 0.15 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1i3m h LEU 55 CO 0.00 0.37 -1.19 0.35 0.09 0.00 0.00 178.44 178.06 1i3m n THR 56 N -4.77 0.83 -1.31 0.22 -2.24 -0.64 -4.95 114.28 101.41 1i3m n THR 56 Ca 0.10 -0.60 -0.06 0.00 -2.27 0.00 0.00 64.05 61.21 1i3m n THR 56 Cb 0.20 -0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 67.92 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 1.27 0.75 3.26 3.38 0.00 0.73 -5.01 105.19 109.56 1i3m n GLY 57 Ca -0.04 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.77 1.33 0.39 1.61 0.52 -1.15 -5.05 118.95 113.83 1i3m s ARG 58 Ca 0.00 -0.98 -0.24 0.00 -0.52 0.00 0.00 55.73 53.99 1i3m s ARG 58 Cb 0.00 -1.47 -0.10 0.00 0.52 0.00 0.00 34.95 33.90 1i3m s ARG 58 CO 0.00 0.37 0.99 -1.54 0.02 0.00 0.00 175.30 175.14 1i3m s SER 59 N -1.33 6.96 -0.22 0.23 1.04 -1.26 -4.38 113.70 114.74 1i3m s SER 59 Ca 0.07 1.88 -0.07 0.00 0.48 0.00 0.00 55.95 58.32 1i3m s SER 59 Cb -0.09 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.43 1i3m s SER 59 CO 0.02 -0.34 0.04 -0.69 0.98 0.00 0.00 173.24 173.26 1i3m s VAL 60 N -1.79 4.26 -0.28 5.02 1.01 -1.26 -4.96 120.40 122.40 1i3m s VAL 60 Ca 0.57 -0.20 -0.24 0.00 0.00 0.00 0.00 61.98 62.11 1i3m s VAL 60 Cb -0.17 -2.96 -0.00 0.00 0.00 0.00 0.00 36.38 33.24 1i3m s VAL 60 CO 0.22 0.39 0.80 -0.70 0.00 0.00 0.00 175.10 175.81 1i3m s GLU 61 N 1.20 4.05 0.02 2.72 2.12 -1.26 -5.02 118.70 122.53 1i3m s GLU 61 Ca 0.04 0.71 0.02 0.00 0.36 0.00 0.00 54.97 56.09 1i3m s GLU 61 Cb -0.14 -3.70 -0.02 0.00 0.26 0.00 0.00 34.13 30.53 1i3m s GLU 61 CO 0.03 -0.61 -0.06 0.12 -0.54 0.00 0.00 175.26 174.19 1i3m s PHE 62 N 2.90 0.51 -0.04 5.30 5.36 -1.26 -0.08 117.98 130.67 1i3m s PHE 62 Ca 0.33 -0.34 -0.00 0.00 -0.96 0.00 0.00 56.93 55.96 1i3m s PHE 62 Cb -0.14 -0.32 0.03 0.00 -0.34 0.00 0.00 43.02 42.25 1i3m s PHE 62 CO 0.11 -0.07 0.00 -1.21 -1.46 0.00 0.00 175.22 172.59 1i3m s GLU 63 N -1.01 0.36 -0.09 10.12 2.02 -0.33 -4.95 118.70 124.82 1i3m s GLU 63 Ca -0.06 0.10 -0.30 0.00 0.02 0.00 0.00 54.97 54.73 1i3m s GLU 63 Cb -0.07 -0.61 -0.03 0.00 0.10 0.00 0.00 34.13 33.52 1i3m s GLU 63 CO 0.00 -0.19 1.19 -2.00 0.02 0.00 0.00 175.26 174.28 1i3m s GLU 64 N 1.34 4.33 -0.12 1.61 2.12 -1.26 -3.23 118.70 123.49 1i3m s GLU 64 Ca -0.05 1.64 -0.30 0.00 0.36 0.00 0.00 54.97 56.61 1i3m s GLU 64 Cb -0.13 -3.60 0.11 0.00 0.26 0.00 0.00 34.13 30.76 1i3m s GLU 64 CO -0.02 -0.50 0.88 1.41 -0.54 0.00 0.00 175.26 176.49 1i3m s MET 65 N 2.52 0.77 -0.13 4.30 1.75 -0.23 -4.91 119.30 123.36 1i3m s MET 65 Ca 0.54 0.18 -0.07 0.00 -1.25 0.00 0.00 55.69 55.10 1i3m s MET 65 Cb -0.23 0.36 -0.04 0.00 2.84 0.00 0.00 34.83 37.76 1i3m s MET 65 CO 0.19 -0.24 0.12 0.34 -0.65 0.00 0.00 175.02 174.78 1i3m s ASP 66 N -1.15 6.17 0.32 1.11 -1.08 -1.26 -2.84 116.67 117.95 1i3m s ASP 66 Ca -0.05 0.37 0.25 0.00 -0.52 0.00 0.00 52.55 52.59 1i3m s ASP 66 Cb -0.00 -1.99 1.15 0.00 -1.46 0.00 0.00 42.92 40.62 1i3m s ASP 66 CO 0.05 0.36 1.74 0.16 0.52 0.00 0.00 175.17 178.00 1i3m h ILE 67 N 4.16 0.00 -0.00 4.11 3.07 -1.97 -1.22 117.51 125.65 1i3m h ILE 67 Ca -0.51 -0.15 0.00 0.00 1.55 0.00 0.00 64.86 65.75 1i3m h ILE 67 Cb 1.21 0.82 0.00 0.00 -0.27 0.00 0.00 36.82 38.58 1i3m h ILE 67 CO 0.61 0.00 -0.01 0.18 -1.05 0.00 0.00 178.15 177.87 1i3m n LEU 68 N -2.35 0.02 -4.46 0.16 4.77 -1.26 -4.58 117.00 109.30 1i3m n LEU 68 Ca 0.00 0.38 -0.43 0.00 -0.03 0.00 0.00 56.01 55.94 1i3m n LEU 68 Cb 0.15 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 1i3m n LEU 68 CO 0.16 0.01 0.98 -0.62 -1.33 0.00 0.00 177.39 176.59 1i3m s ASP 69 N -2.80 6.50 0.16 -1.43 -1.08 -0.46 -4.91 116.67 112.65 1i3m s ASP 69 Ca 0.20 -1.72 -0.17 0.00 -0.52 0.00 0.00 52.55 50.35 1i3m s ASP 69 Cb 0.20 -2.42 0.08 0.00 -1.46 0.00 0.00 42.92 39.31 1i3m s ASP 69 CO 0.50 -1.21 1.69 -0.61 0.52 0.00 0.00 175.17 176.06 1i3m h GLN 70 N 9.13 0.05 -0.39 4.34 4.15 -1.86 -1.24 115.11 129.28 1i3m h GLN 70 Ca 0.05 -0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.49 1i3m h GLN 70 Cb 1.03 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.68 1i3m h GLN 70 CO 1.16 0.04 0.21 0.78 -1.93 0.00 0.00 178.83 179.09 1i3m h GLY 71 N 0.06 0.54 0.99 2.39 0.00 -1.98 0.82 103.07 105.90 1i3m h GLY 71 Ca 0.18 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 1i3m h GLY 71 CO -0.33 0.12 0.26 0.00 0.00 0.00 0.00 176.54 176.59 1i3m h ALA 72 N 1.19 0.76 -0.33 3.60 0.00 -1.87 -1.19 119.26 121.43 1i3m h ALA 72 Ca 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1i3m h ALA 72 Cb 0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1i3m h ALA 72 CO -0.10 0.36 0.13 1.25 0.00 0.00 0.00 179.25 180.89 1i3m h LEU 73 N 0.81 0.45 -0.22 0.00 5.85 -0.96 -0.54 115.31 120.70 1i3m h LEU 73 Ca 0.20 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.79 1i3m h LEU 73 Cb 0.17 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1i3m h LEU 73 CO -0.02 0.49 0.03 1.56 -0.34 0.00 0.00 178.44 180.16 1i3m h GLN 74 N 0.38 0.11 -0.89 1.25 4.20 -0.64 -1.49 115.11 118.03 1i3m h GLN 74 Ca 0.11 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.89 1i3m h GLN 74 Cb 0.18 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 27.87 1i3m h GLN 74 CO -0.01 0.07 0.55 0.00 -0.67 0.00 0.00 178.83 178.77 1i3m h ARG 75 N 0.12 0.94 -0.14 1.46 3.08 -1.02 -0.63 114.38 118.19 1i3m h ARG 75 Ca 0.10 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1i3m h ARG 75 Cb 0.11 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1i3m h ARG 75 CO -0.15 0.62 0.09 1.25 -1.07 0.00 0.00 179.97 180.72 1i3m h LEU 76 N 0.97 0.17 -1.50 3.04 5.85 -0.46 -0.03 115.31 123.35 1i3m h LEU 76 Ca 0.40 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 59.06 1i3m h LEU 76 Cb 0.24 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1i3m h LEU 76 CO -0.20 0.13 -0.26 -0.26 -0.34 0.00 0.00 178.44 177.51 1i3m h PHE 77 N 0.19 0.00 -0.13 1.25 -1.00 -0.92 -1.86 116.94 114.47 1i3m h PHE 77 Ca 0.05 0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.62 1i3m h PHE 77 Cb -0.02 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.55 1i3m h PHE 77 CO -0.07 0.26 -0.78 -0.22 -1.61 0.00 0.00 178.31 175.89 1i3m h LYS 78 N 0.00 0.69 -0.29 1.51 3.64 -0.73 -3.33 116.57 118.06 1i3m h LYS 78 Ca -0.00 -0.57 -0.14 0.00 -1.27 0.00 0.00 60.65 58.66 1i3m h LYS 78 Cb 0.49 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1i3m h LYS 78 CO 0.03 1.19 -0.36 -0.22 -2.27 0.00 0.00 179.45 177.82 1i3m h LYS 79 N 0.47 0.76 -6.07 1.90 3.64 -0.55 -3.46 116.57 113.26 1i3m h LYS 79 Ca -0.05 -0.43 -0.54 0.00 -1.27 0.00 0.00 60.65 58.36 1i3m h LYS 79 Cb 1.40 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 33.17 1i3m h LYS 79 CO 0.15 1.05 -0.51 0.71 -2.27 0.00 0.00 179.45 178.59 1i3m s TYR 80 N -4.27 2.70 -0.58 1.91 2.02 -0.74 -5.07 117.35 113.31 1i3m s TYR 80 Ca -0.12 -0.42 -0.06 0.00 -0.37 0.00 0.00 57.07 56.10 1i3m s TYR 80 Cb 0.09 -1.75 0.15 0.00 -0.40 0.00 0.00 41.96 40.05 1i3m s TYR 80 CO 0.85 0.26 0.43 -1.12 -1.57 0.00 0.00 175.55 174.40 1i3m s SER 81 N -3.89 5.57 0.22 2.29 0.01 -1.26 -4.73 113.70 111.90 1i3m s SER 81 Ca 0.39 -2.48 -0.23 0.00 1.31 0.00 0.00 55.95 54.94 1i3m s SER 81 Cb -0.02 -1.94 -0.08 0.00 0.21 0.00 0.00 66.02 64.19 1i3m s SER 81 CO 0.23 -0.50 0.79 -0.36 0.41 0.00 0.00 173.24 173.81 1i3m s PHE 82 N 0.49 3.77 -0.51 2.43 2.99 -1.26 -2.16 117.98 123.73 1i3m s PHE 82 Ca 0.13 1.56 0.21 0.00 0.00 0.00 0.00 56.93 58.84 1i3m s PHE 82 Cb -0.21 -2.74 -0.28 0.00 0.00 0.00 0.00 43.02 39.80 1i3m s PHE 82 CO -0.04 0.39 0.68 0.00 -0.00 0.00 0.00 175.22 176.25 1i3m n MET 83 N 1.06 0.39 -3.53 0.44 0.00 0.13 -4.85 117.12 110.78 1i3m n MET 83 Ca -0.03 -0.10 -0.09 0.00 0.00 0.00 0.00 57.70 57.48 1i3m n MET 83 Cb 0.50 -1.50 -0.02 0.00 0.00 0.00 0.00 33.22 32.20 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 -3.23 -1.71 -0.04 3.17 0.00 -1.24 -4.57 121.76 114.14 1i3m s ALA 84 Ca 0.00 0.69 0.03 0.00 0.00 0.00 0.00 51.96 52.68 1i3m s ALA 84 Cb 0.15 0.60 0.01 0.00 0.00 0.00 0.00 23.12 23.87 1i3m s ALA 84 CO 0.87 -0.77 -0.12 0.08 0.00 0.00 0.00 175.76 175.82 1i3m s VAL 85 N -3.36 1.09 -0.30 0.00 1.01 -0.73 -1.40 120.40 116.70 1i3m s VAL 85 Ca 0.05 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 1i3m s VAL 85 Cb -0.01 -0.97 0.04 0.00 0.00 0.00 0.00 36.38 35.44 1i3m s VAL 85 CO -0.08 0.33 0.03 -0.63 0.00 0.00 0.00 175.10 174.75 1i3m s ILE 86 N 0.33 3.30 -0.64 2.22 1.01 0.30 -0.73 121.20 127.00 1i3m s ILE 86 Ca -0.08 -1.19 -0.15 0.00 0.00 0.00 0.00 60.65 59.24 1i3m s ILE 86 Cb -0.12 -2.84 0.16 0.00 0.01 0.00 0.00 42.46 39.67 1i3m s ILE 86 CO 0.02 -0.06 0.59 -2.28 0.00 0.00 0.00 174.94 173.21 1i3m s HIS 87 N 1.33 3.44 -0.05 3.97 2.46 -0.03 -1.24 115.29 125.17 1i3m s HIS 87 Ca -0.03 -1.58 0.21 0.00 0.47 0.00 0.00 55.06 54.14 1i3m s HIS 87 Cb -0.19 -3.79 -0.32 0.00 -0.13 0.00 0.00 32.58 28.15 1i3m s HIS 87 CO -0.00 -1.01 0.42 1.19 -2.47 0.00 0.00 174.74 172.87 1i3m n PHE 88 N 4.77 0.00 -1.70 3.88 3.72 -0.76 -2.76 117.46 124.60 1i3m n PHE 88 Ca -0.04 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.93 1i3m n PHE 88 Cb 0.42 -0.56 -0.03 0.00 -0.94 0.00 0.00 39.48 38.37 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 -2.32 2.08 0.00 4.37 0.00 -1.07 -4.78 120.51 118.79 1i3m n ALA 89 Ca -0.08 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1i3m n ALA 89 Cb 0.65 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 3.17 -0.30 3.85 0.00 0.00 -1.26 -4.93 105.19 105.72 1i3m n GLY 90 Ca 0.14 -1.23 -0.37 0.00 0.00 0.00 0.00 46.02 44.57 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 4.42 0.19 0.99 1.43 -1.26 -5.03 118.68 119.41 1i3m s LEU 91 Ca 0.00 0.90 0.10 0.00 -1.03 0.00 0.00 54.13 54.11 1i3m s LEU 91 Cb 0.00 -2.79 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 1i3m s LEU 91 CO 0.00 0.25 -0.21 -1.59 0.23 0.00 0.00 176.35 175.03 1i3m s LYS 92 N -1.46 1.43 0.25 1.70 -2.85 -1.26 -4.96 119.74 112.58 1i3m s LYS 92 Ca 0.28 -1.50 -0.30 0.00 -1.00 0.00 0.00 55.97 53.46 1i3m s LYS 92 Cb -0.15 -1.61 -0.09 0.00 -2.06 0.00 0.00 37.83 33.92 1i3m s LYS 92 CO 0.15 0.33 1.28 0.00 0.10 0.00 0.00 175.35 177.21 1i3m s ALA 93 N -1.93 3.50 -0.10 0.59 0.00 -1.26 -4.79 121.76 117.77 1i3m s ALA 93 Ca 0.19 1.11 0.14 0.00 0.00 0.00 0.00 51.96 53.41 1i3m s ALA 93 Cb -0.07 -3.46 0.22 0.00 0.00 0.00 0.00 23.12 19.81 1i3m s ALA 93 CO 0.09 -0.51 1.10 -1.33 0.00 0.00 0.00 175.76 175.12 1i3m n MET 94 N 1.93 1.35 -0.50 0.00 2.81 -1.26 -4.86 117.12 116.59 1i3m n MET 94 Ca 0.03 -2.23 0.00 0.00 -1.81 0.00 0.00 57.70 53.69 1i3m n MET 94 Cb 0.43 -1.31 0.00 0.00 -0.71 0.00 0.00 33.22 31.63 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 -1.14 0.84 0.07 3.03 0.00 -1.26 -4.94 105.19 101.79 1i3m n GLY 95 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 3.83 0.06 -0.71 1.61 5.08 -1.90 -3.40 114.58 119.16 1i3m h GLU 96 Ca 0.00 -0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.44 1i3m h GLU 96 Cb 0.00 -0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.14 1i3m h GLU 96 CO 0.00 0.46 -0.29 -1.13 -1.00 0.00 0.00 179.01 177.05 1i3m n SER 97 N -4.84 -0.49 -0.27 1.42 3.41 -1.26 -0.29 113.62 111.30 1i3m n SER 97 Ca -0.08 1.23 0.24 0.00 -0.26 0.00 0.00 58.87 60.01 1i3m n SER 97 Cb 0.23 -0.27 0.57 0.00 -0.26 0.00 0.00 64.21 64.49 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 0.57 0.00 -3.33 2.07 -1.96 -0.95 116.25 112.65 1i3m h VAL 98 Ca 0.23 -0.10 -0.12 0.00 0.82 0.00 0.00 66.70 67.53 1i3m h VAL 98 Cb 0.41 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1i3m h VAL 98 CO -0.70 0.05 -1.07 1.56 0.02 0.00 0.00 177.57 177.43 1i3m h GLN 99 N 0.29 0.00 -2.13 1.57 1.08 -0.94 -3.41 115.11 111.57 1i3m h GLN 99 Ca 0.52 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 57.19 1i3m h GLN 99 Cb 1.52 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 28.54 1i3m h GLN 99 CO -0.18 0.29 -0.93 0.36 -0.95 0.00 0.00 178.83 177.43 1i3m n LYS 100 N -2.95 2.00 -0.21 1.46 2.85 -0.38 -4.97 118.16 115.96 1i3m n LYS 100 Ca -0.05 -4.07 0.02 0.00 -1.05 0.00 0.00 58.31 53.16 1i3m n LYS 100 Cb 0.76 -1.93 0.12 0.00 -0.65 0.00 0.00 35.03 33.32 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 3.11 0.14 -0.01 -1.58 0.13 -1.74 -1.56 132.00 130.49 1i3m h PRO 101 Ca 0.12 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1i3m h PRO 101 Cb 0.75 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 1i3m h PRO 101 CO 0.65 0.10 -0.00 -0.07 -0.23 0.00 0.00 178.00 178.44 1i3m h LEU 102 N 0.15 0.01 -0.49 1.56 3.38 -1.93 0.18 115.31 118.16 1i3m h LEU 102 Ca 0.34 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.20 1i3m h LEU 102 Cb 0.56 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1i3m h LEU 102 CO -0.53 0.01 -0.12 0.44 0.09 0.00 0.00 178.44 178.34 1i3m h ASP 103 N 0.01 0.95 -0.36 -0.43 3.45 -1.69 0.92 116.42 119.29 1i3m h ASP 103 Ca 0.00 -0.36 -0.10 0.00 0.43 0.00 0.00 57.03 57.00 1i3m h ASP 103 Cb 0.01 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.51 1i3m h ASP 103 CO 0.00 1.09 -0.19 1.88 -1.57 0.00 0.00 179.24 180.46 1i3m h TYR 104 N 0.80 0.87 -0.56 4.55 -1.99 -1.17 0.34 116.97 119.81 1i3m h TYR 104 Ca 0.12 -0.22 -0.06 0.00 2.00 0.00 0.00 58.73 60.57 1i3m h TYR 104 Cb 0.68 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 39.19 1i3m h TYR 104 CO 0.05 0.95 0.10 1.88 -0.00 0.00 0.00 178.16 181.15 1i3m h TYR 105 N 0.54 0.98 0.61 4.88 0.99 -0.59 -0.06 116.97 124.31 1i3m h TYR 105 Ca 0.08 -0.13 -0.03 0.00 2.00 0.00 0.00 58.73 60.65 1i3m h TYR 105 Cb 0.73 -0.27 0.01 0.00 1.00 0.00 0.00 36.73 38.20 1i3m h TYR 105 CO 0.06 0.86 -0.29 -0.09 -0.00 0.00 0.00 178.16 178.70 1i3m h ARG 106 N 0.82 -0.78 0.06 4.88 2.43 -0.72 -0.07 114.38 120.99 1i3m h ARG 106 Ca 0.17 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1i3m h ARG 106 Cb 0.40 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1i3m h ARG 106 CO 0.01 -0.48 -0.03 0.28 -1.51 0.00 0.00 179.97 178.24 1i3m h VAL 107 N -1.12 1.08 0.06 0.20 2.07 -0.96 -1.28 116.25 116.31 1i3m h VAL 107 Ca -0.08 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 1i3m h VAL 107 Cb 0.67 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1i3m h VAL 107 CO 0.14 0.12 -0.03 0.78 0.02 0.00 0.00 177.57 178.60 1i3m h ASN 108 N -0.30 -0.07 0.35 0.57 2.35 -1.14 -2.93 115.58 114.41 1i3m h ASN 108 Ca -0.01 -0.44 -0.02 0.00 -0.55 0.00 0.00 56.30 55.29 1i3m h ASN 108 Cb 0.26 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1i3m h ASN 108 CO 0.01 0.60 -0.17 0.25 -1.65 0.00 0.00 177.43 176.48 1i3m h LEU 109 N -0.96 -0.40 -1.20 1.61 5.85 -1.34 -1.78 115.31 117.08 1i3m h LEU 109 Ca -0.01 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1i3m h LEU 109 Cb 0.50 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1i3m h LEU 109 CO 0.01 -0.14 0.02 0.71 -0.34 0.00 0.00 178.44 178.70 1i3m h THR 110 N -0.77 1.20 -0.66 1.05 1.35 -0.67 -0.46 112.91 113.95 1i3m h THR 110 Ca -0.05 -0.79 -0.01 0.00 -0.55 0.00 0.00 66.41 65.01 1i3m h THR 110 Cb 0.37 0.90 -0.03 0.00 -1.73 0.00 0.00 68.15 67.66 1i3m h THR 110 CO 0.08 0.27 0.37 1.23 -0.25 0.00 0.00 175.52 177.22 1i3m h GLY 111 N 0.85 0.98 1.49 5.82 0.00 -1.04 -1.28 103.07 109.89 1i3m h GLY 111 Ca 0.12 -0.44 -0.15 0.00 0.00 0.00 0.00 47.33 46.85 1i3m h GLY 111 CO 0.01 0.42 -0.53 -0.84 0.00 0.00 0.00 176.54 175.60 1i3m h THR 112 N 0.90 1.32 -0.51 4.70 2.02 -0.82 -1.80 112.91 118.72 1i3m h THR 112 Ca 0.23 -1.77 0.01 0.00 0.77 0.00 0.00 66.41 65.66 1i3m h THR 112 Cb 0.03 1.75 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 1i3m h THR 112 CO -0.04 0.55 0.33 0.40 0.37 0.00 0.00 175.52 177.13 1i3m h ILE 113 N 0.42 1.11 -0.30 3.11 2.04 -0.82 0.11 117.51 123.18 1i3m h ILE 113 Ca 0.01 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 1i3m h ILE 113 Cb 1.06 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1i3m h ILE 113 CO 0.10 0.12 0.18 -0.61 0.00 0.00 0.00 178.15 177.94 1i3m h GLN 114 N 0.67 0.40 -0.57 2.37 4.15 -1.15 0.51 115.11 121.50 1i3m h GLN 114 Ca 0.19 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.60 1i3m h GLN 114 Cb -0.05 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.52 1i3m h GLN 114 CO -0.06 0.31 0.36 1.25 -1.93 0.00 0.00 178.83 178.76 1i3m h LEU 115 N 0.39 0.61 -0.62 -2.39 5.85 -1.04 0.33 115.31 118.43 1i3m h LEU 115 Ca 0.11 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1i3m h LEU 115 Cb 0.00 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1i3m h LEU 115 CO -0.02 0.43 0.29 -0.07 -0.34 0.00 0.00 178.44 178.73 1i3m h LEU 116 N 0.73 0.82 -0.48 2.25 3.38 -0.61 0.12 115.31 121.52 1i3m h LEU 116 Ca 0.22 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1i3m h LEU 116 Cb -0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1i3m h LEU 116 CO -0.07 0.73 0.28 -0.33 0.09 0.00 0.00 178.44 179.13 1i3m h GLU 117 N 0.85 0.66 -0.40 1.13 5.08 -0.50 0.33 114.58 121.73 1i3m h GLU 117 Ca 0.21 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.42 1i3m h GLU 117 Cb 0.13 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1i3m h GLU 117 CO -0.03 0.50 -0.09 0.82 -1.00 0.00 0.00 179.01 179.21 1i3m h ILE 118 N 0.64 1.25 0.23 3.13 2.04 -0.66 -0.62 117.51 123.52 1i3m h ILE 118 Ca 0.17 -1.10 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 1i3m h ILE 118 Cb 0.02 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1i3m h ILE 118 CO -0.03 0.37 -0.11 0.24 0.00 0.00 0.00 178.15 178.62 1i3m h MET 119 N 0.64 -0.30 -0.14 2.37 2.86 -0.47 -1.74 114.93 118.16 1i3m h MET 119 Ca 0.11 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.82 1i3m h MET 119 Cb 0.54 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.21 1i3m h MET 119 CO 0.03 -0.10 -0.20 -0.22 1.06 0.00 0.00 176.91 177.48 1i3m h LYS 120 N -0.45 -0.24 -0.35 1.72 3.64 -0.72 0.12 116.57 120.30 1i3m h LYS 120 Ca -0.03 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.47 1i3m h LYS 120 Cb 0.34 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1i3m h LYS 120 CO 0.05 -0.16 0.26 0.00 -2.27 0.00 0.00 179.45 177.34 1i3m h ALA 121 N 0.77 2.28 -0.70 5.00 0.00 -1.03 -0.29 119.26 125.30 1i3m h ALA 121 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1i3m h ALA 121 Cb 0.40 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1i3m h ALA 121 CO -0.28 -0.44 0.00 0.72 0.00 0.00 0.00 179.25 179.25 1i3m n HIS 122 N -4.34 1.20 -2.36 0.00 8.25 -0.65 -4.95 115.22 112.37 1i3m n HIS 122 Ca 0.05 -0.54 -0.14 0.00 -0.26 0.00 0.00 57.72 56.84 1i3m n HIS 122 Cb 0.44 -0.11 -0.00 0.00 1.12 0.00 0.00 29.99 31.44 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 -0.20 3.21 -1.41 0.00 -0.12 -4.99 105.19 103.13 1i3m n GLY 123 Ca 0.25 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.75 3.46 -0.27 1.61 1.01 0.33 -4.98 120.40 118.81 1i3m s VAL 124 Ca 0.04 -1.39 0.11 0.00 0.00 0.00 0.00 61.98 60.74 1i3m s VAL 124 Cb -0.02 -3.05 0.47 0.00 0.00 0.00 0.00 36.38 33.78 1i3m s VAL 124 CO 0.05 -0.26 1.18 0.29 0.00 0.00 0.00 175.10 176.35 1i3m n LYS 125 N 4.72 2.97 -3.92 2.72 5.02 -1.26 -3.92 118.16 124.49 1i3m n LYS 125 Ca -0.11 -3.91 -0.28 0.00 -2.02 0.00 0.00 58.31 51.99 1i3m n LYS 125 Cb 0.43 -2.03 -0.16 0.00 -0.02 0.00 0.00 35.03 33.25 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 -3.57 2.74 0.03 4.39 0.01 -1.25 -0.93 114.94 116.35 1i3m s ASN 126 Ca 0.45 -0.59 0.02 0.00 -0.71 0.00 0.00 52.86 52.03 1i3m s ASN 126 Cb 0.39 -0.96 -0.02 0.00 0.41 0.00 0.00 41.25 41.07 1i3m s ASN 126 CO 0.01 -0.15 -0.08 -0.22 -1.51 0.00 0.00 177.10 175.14 1i3m s LEU 127 N 1.61 2.18 -0.20 0.60 2.96 -0.22 -1.77 118.68 123.84 1i3m s LEU 127 Ca 0.02 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 1i3m s LEU 127 Cb -0.15 -0.25 0.03 0.00 0.50 0.00 0.00 46.19 46.32 1i3m s LEU 127 CO -0.08 -0.10 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.99 1i3m s VAL 128 N -0.99 2.18 -0.11 1.68 1.01 0.09 -0.36 120.40 123.91 1i3m s VAL 128 Ca -0.05 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 60.86 1i3m s VAL 128 Cb -0.08 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 1i3m s VAL 128 CO 0.00 0.40 -0.10 0.12 0.00 0.00 0.00 175.10 175.52 1i3m s PHE 129 N 1.26 2.85 -0.72 5.22 2.19 -0.13 -0.85 117.98 127.81 1i3m s PHE 129 Ca 0.02 -0.36 -0.27 0.00 0.33 0.00 0.00 56.93 56.65 1i3m s PHE 129 Cb -0.15 -1.80 0.02 0.00 -1.31 0.00 0.00 43.02 39.79 1i3m s PHE 129 CO -0.11 -0.00 1.34 -1.12 1.83 0.00 0.00 175.22 177.17 1i3m s SER 130 N -0.07 6.07 0.00 6.13 0.01 -1.11 -1.53 113.70 123.19 1i3m s SER 130 Ca -0.01 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 56.91 1i3m s SER 130 Cb -0.14 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.54 1i3m s SER 130 CO 0.03 -1.89 0.00 -0.24 0.41 0.00 0.00 173.24 171.56 1i3m n SER 131 N 9.73 0.48 -3.53 2.44 2.88 0.18 -4.95 113.62 120.86 1i3m n SER 131 Ca 0.05 -0.62 -0.13 0.00 -1.33 0.00 0.00 58.87 56.83 1i3m n SER 131 Cb 0.49 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.91 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 -0.82 -0.48 0.23 -3.46 0.15 -1.26 -2.56 113.70 105.51 1i3m s SER 132 Ca 0.00 0.13 0.18 0.00 0.70 0.00 0.00 55.95 56.96 1i3m s SER 132 Cb 0.00 0.53 0.90 0.00 -1.71 0.00 0.00 66.02 65.74 1i3m s SER 132 CO 0.00 -0.79 1.55 0.00 1.20 0.00 0.00 173.24 175.19 1i3m n ALA 133 N 0.17 1.20 0.28 5.45 0.00 -0.31 -1.71 120.51 125.59 1i3m n ALA 133 Ca -0.18 0.13 0.15 0.00 0.00 0.00 0.00 53.44 53.54 1i3m n ALA 133 Cb 0.62 -1.27 0.79 0.00 0.00 0.00 0.00 19.45 19.58 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 0.32 0.00 0.00 1.35 -1.93 -2.25 112.91 110.41 1i3m h THR 134 Ca 0.00 -0.48 -0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1i3m h THR 134 Cb 0.09 1.36 -0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1i3m h THR 134 CO 0.00 0.08 -0.01 -0.37 -0.25 0.00 0.00 175.52 174.97 1i3m h VAL 135 N 0.00 0.20 0.00 6.82 -1.51 -1.60 -0.91 116.25 119.25 1i3m h VAL 135 Ca -0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 1i3m h VAL 135 Cb 0.35 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 1i3m h VAL 135 CO 0.01 0.01 0.00 1.88 -1.23 0.00 0.00 177.57 178.24 1i3m h TYR 136 N 0.00 0.00 -0.24 5.19 -1.99 -1.62 0.13 116.97 118.44 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 0.04 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.77 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 0.68 0.01 3.64 3.88 0.00 -0.35 -4.57 105.19 108.48 1i3m n GLY 137 Ca 0.04 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 1i3m n GLY 137 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i3m s ASN 138 N -4.00 6.54 0.10 1.61 0.01 -1.26 -4.90 114.94 113.03 1i3m s ASN 138 Ca 0.00 1.71 -0.36 0.00 -0.71 0.00 0.00 52.86 53.50 1i3m s ASN 138 Cb 0.00 -2.53 -0.17 0.00 0.41 0.00 0.00 41.25 38.96 1i3m s ASN 138 CO 0.00 -1.11 1.31 -2.65 -1.51 0.00 0.00 177.10 173.14 1i3m n PRO 139 N 7.38 1.13 0.05 -0.60 -0.02 -1.26 -4.85 135.00 136.83 1i3m n PRO 139 Ca 0.17 0.41 0.11 0.00 -2.02 0.00 0.00 63.50 62.17 1i3m n PRO 139 Cb 0.45 -2.03 0.01 0.00 -0.02 0.00 0.00 33.50 31.91 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 2.40 0.44 -3.68 -0.52 6.02 -1.26 -4.95 117.38 115.82 1i3m n GLN 140 Ca 0.18 0.03 -0.07 0.00 -0.01 0.00 0.00 57.00 57.13 1i3m n GLN 140 Cb 0.20 -1.68 -0.02 0.00 1.02 0.00 0.00 30.24 29.76 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 -3.29 -0.26 0.04 1.08 1.13 -1.26 -5.18 117.35 109.60 1i3m s TYR 141 Ca 0.01 -0.05 0.01 0.00 -1.41 0.00 0.00 57.07 55.63 1i3m s TYR 141 Cb 0.12 0.63 -0.02 0.00 -1.10 0.00 0.00 41.96 41.59 1i3m s TYR 141 CO 0.80 -0.91 -0.06 -0.51 -2.51 0.00 0.00 175.55 172.36 1i3m s LEU 142 N -2.82 2.27 0.89 -3.49 1.43 -1.26 -4.35 118.68 111.35 1i3m s LEU 142 Ca 0.09 -0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 52.49 1i3m s LEU 142 Cb -0.03 -0.04 0.13 0.00 0.03 0.00 0.00 46.19 46.28 1i3m s LEU 142 CO -0.01 -0.27 1.11 -2.16 0.23 0.00 0.00 176.35 175.25 1i3m s PRO 143 N -1.74 1.29 -0.39 1.29 0.04 -1.26 -5.08 135.00 129.14 1i3m s PRO 143 Ca -0.11 0.51 -0.25 0.00 0.04 0.00 0.00 61.00 61.20 1i3m s PRO 143 Cb -0.08 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.63 1i3m s PRO 143 CO -0.01 -2.14 0.87 -0.51 0.04 0.00 0.00 177.00 175.25 1i3m s LEU 144 N -6.07 4.06 0.44 -3.56 1.43 -0.12 -4.75 118.68 110.11 1i3m s LEU 144 Ca 0.63 0.36 0.05 0.00 -1.03 0.00 0.00 54.13 54.14 1i3m s LEU 144 Cb -0.16 -3.15 0.01 0.00 0.03 0.00 0.00 46.19 42.92 1i3m s LEU 144 CO 0.55 -0.86 0.62 1.51 0.23 0.00 0.00 176.35 178.39 1i3m s ASP 145 N 1.97 5.62 0.59 2.29 -4.77 -1.26 -1.52 116.67 119.60 1i3m s ASP 145 Ca 0.35 -0.22 0.31 0.00 -3.30 0.00 0.00 52.55 49.70 1i3m s ASP 145 Cb -0.12 -0.88 1.84 0.00 -1.09 0.00 0.00 42.92 42.67 1i3m s ASP 145 CO 0.20 -0.80 2.24 -0.33 0.70 0.00 0.00 175.17 177.18 1i3m h GLU 146 N 0.51 0.00 0.00 2.11 3.07 -1.93 -0.72 114.58 117.62 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 1.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 1i3m h GLU 146 CO 0.49 0.02 0.00 0.00 -1.40 0.00 0.00 179.01 178.12 1i3m n ALA 147 N -2.28 2.12 -1.77 3.43 0.00 -1.26 -4.85 120.51 115.91 1i3m n ALA 147 Ca -0.03 -0.08 -0.40 0.00 0.00 0.00 0.00 53.44 52.93 1i3m n ALA 147 Cb 0.11 -1.40 0.01 0.00 0.00 0.00 0.00 19.45 18.17 1i3m n ALA 147 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1i3m n HIS 148 N -1.57 2.81 -1.65 0.00 -0.00 -0.28 -4.88 115.22 109.65 1i3m n HIS 148 Ca 0.06 0.44 -0.42 0.00 -0.00 0.00 0.00 57.72 57.79 1i3m n HIS 148 Cb 0.29 -2.49 -0.00 0.00 -0.00 0.00 0.00 29.99 27.79 1i3m n HIS 148 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1i3m n PRO 149 N 0.05 1.73 -4.40 1.57 -0.02 -1.26 -4.98 135.00 127.69 1i3m n PRO 149 Ca 0.04 0.61 -0.26 0.00 -2.02 0.00 0.00 63.50 61.87 1i3m n PRO 149 Cb 0.40 -2.15 -0.12 0.00 -0.02 0.00 0.00 33.50 31.61 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 -1.15 2.21 0.00 3.45 -4.23 -1.26 -4.45 115.64 110.21 1i3m s THR 150 Ca 0.59 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 1i3m s THR 150 Cb -0.59 -2.03 0.00 0.00 1.34 0.00 0.00 72.50 71.22 1i3m s THR 150 CO 0.60 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 175.14 1i3m n GLY 151 N 0.33 0.55 2.10 3.99 0.00 0.03 -4.93 105.19 107.26 1i3m n GLY 151 Ca -0.13 -1.91 -0.02 0.00 0.00 0.00 0.00 46.02 43.96 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 0.85 0.53 3.72 -0.02 0.00 -1.26 -4.55 105.19 104.47 1i3m n GLY 152 Ca 0.00 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.51 0.96 -1.11 0.00 2.02 -1.94 -3.46 112.91 107.87 1i3m h THR 154 Ca -0.44 -1.82 -0.55 0.00 0.77 0.00 0.00 66.41 64.38 1i3m h THR 154 Cb 1.25 1.91 -0.05 0.00 -1.74 0.00 0.00 68.15 69.52 1i3m h THR 154 CO 0.47 0.32 -0.37 0.54 0.37 0.00 0.00 175.52 176.85 1i3m s ASN 155 N -6.12 4.73 0.45 4.18 2.20 -1.26 -4.97 114.94 114.14 1i3m s ASN 155 Ca -0.16 -1.04 0.11 0.00 -0.94 0.00 0.00 52.86 50.83 1i3m s ASN 155 Cb 0.00 -0.11 1.01 0.00 -2.00 0.00 0.00 41.25 40.15 1i3m s ASN 155 CO 0.44 -0.83 2.08 -0.65 -2.94 0.00 0.00 177.10 175.20 1i3m h PRO 156 N 0.99 0.35 -0.02 3.55 0.11 -1.93 0.44 132.00 135.50 1i3m h PRO 156 Ca -0.40 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 1i3m h PRO 156 Cb 1.28 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1i3m h PRO 156 CO 0.60 0.23 0.00 -0.92 -0.21 0.00 0.00 178.00 177.71 1i3m h TYR 157 N 0.36 0.03 -0.63 0.65 5.03 -1.95 -0.64 116.97 119.82 1i3m h TYR 157 Ca 0.12 -0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.34 1i3m h TYR 157 Cb 0.02 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.27 1i3m h TYR 157 CO -0.00 0.26 0.05 0.78 -1.32 0.00 0.00 178.16 177.93 1i3m h GLY 158 N -0.21 1.15 1.14 1.82 0.00 -1.77 -2.38 103.07 102.81 1i3m h GLY 158 Ca 0.00 -0.80 -0.03 0.00 0.00 0.00 0.00 47.33 46.51 1i3m h GLY 158 CO 0.00 0.74 0.35 0.50 0.00 0.00 0.00 176.54 178.13 1i3m h LYS 159 N 0.98 1.11 -0.94 4.80 1.57 -0.88 -1.52 116.57 121.69 1i3m h LYS 159 Ca 0.18 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1i3m h LYS 159 Cb 0.50 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 1i3m h LYS 159 CO 0.02 0.87 0.58 0.66 -0.57 0.00 0.00 179.45 181.01 1i3m h SER 160 N 1.10 1.12 -0.54 0.86 4.64 -0.73 0.14 113.55 120.15 1i3m h SER 160 Ca 0.26 -0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.46 1i3m h SER 160 Cb 0.13 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 1i3m h SER 160 CO -0.03 0.85 0.09 0.11 -0.87 0.00 0.00 176.83 176.98 1i3m h LYS 161 N 1.29 0.89 -0.16 4.77 1.79 -0.93 -1.79 116.57 122.43 1i3m h LYS 161 Ca 0.34 -0.24 -0.01 0.00 -2.18 0.00 0.00 60.65 58.56 1i3m h LYS 161 Cb -0.08 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.46 1i3m h LYS 161 CO -0.07 0.86 0.06 0.35 -1.08 0.00 0.00 179.45 179.58 1i3m h PHE 162 N 0.78 0.25 -0.88 -1.35 3.57 -0.71 -1.22 116.94 117.38 1i3m h PHE 162 Ca 0.16 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.66 1i3m h PHE 162 Cb 0.40 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.02 1i3m h PHE 162 CO 0.03 0.33 0.58 0.74 -2.23 0.00 0.00 178.31 177.77 1i3m h PHE 163 N 0.09 1.10 -0.45 0.41 0.04 -0.68 -0.06 116.94 117.39 1i3m h PHE 163 Ca 0.05 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.80 1i3m h PHE 163 Cb 0.20 -0.37 -0.02 0.00 2.20 0.00 0.00 35.95 37.96 1i3m h PHE 163 CO -0.01 0.68 0.08 0.82 -0.60 0.00 0.00 178.31 179.28 1i3m h ILE 164 N 1.18 1.24 -0.37 -0.55 2.04 -1.09 -0.88 117.51 119.09 1i3m h ILE 164 Ca 0.33 -0.89 0.03 0.00 1.00 0.00 0.00 64.86 65.33 1i3m h ILE 164 Cb -0.10 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1i3m h ILE 164 CO -0.08 0.31 0.17 -0.33 0.00 0.00 0.00 178.15 178.22 1i3m h GLU 165 N 0.61 0.34 -0.40 2.37 5.08 -0.49 -1.42 114.58 120.66 1i3m h GLU 165 Ca 0.14 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 1i3m h GLU 165 Cb 0.38 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 1i3m h GLU 165 CO 0.01 0.23 0.15 0.93 -1.00 0.00 0.00 179.01 179.33 1i3m h GLU 166 N 0.35 0.31 -0.69 2.33 4.39 -0.75 0.24 114.58 120.77 1i3m h GLU 166 Ca 0.16 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.86 1i3m h GLU 166 Cb 0.09 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.62 1i3m h GLU 166 CO -0.12 0.21 0.44 0.52 -1.16 0.00 0.00 179.01 178.89 1i3m h MET 167 N 0.32 0.84 -0.41 2.33 2.86 -0.67 -1.26 114.93 118.94 1i3m h MET 167 Ca 0.18 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.67 1i3m h MET 167 Cb 0.15 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 1i3m h MET 167 CO -0.17 0.55 -0.16 0.82 1.06 0.00 0.00 176.91 179.00 1i3m h ILE 168 N 0.86 1.26 -0.54 -1.22 2.04 -0.68 -0.61 117.51 118.63 1i3m h ILE 168 Ca 0.27 -1.25 0.01 0.00 1.00 0.00 0.00 64.86 64.89 1i3m h ILE 168 Cb -0.01 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1i3m h ILE 168 CO -0.09 0.42 0.35 0.03 0.00 0.00 0.00 178.15 178.85 1i3m h ARG 169 N 0.69 0.68 -0.58 2.37 3.08 -0.39 -0.80 114.38 119.43 1i3m h ARG 169 Ca 0.11 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 1i3m h ARG 169 Cb 0.66 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 1i3m h ARG 169 CO 0.05 0.45 0.09 -0.44 -1.07 0.00 0.00 179.97 179.05 1i3m h ASP 170 N 0.70 0.93 -0.75 7.04 3.45 -0.94 -1.39 116.42 125.46 1i3m h ASP 170 Ca 0.21 -0.26 0.03 0.00 0.43 0.00 0.00 57.03 57.43 1i3m h ASP 170 Cb -0.05 -0.25 -0.05 0.00 -0.56 0.00 0.00 39.33 38.43 1i3m h ASP 170 CO -0.06 0.96 0.48 0.25 -1.57 0.00 0.00 179.24 179.29 1i3m h LEU 171 N 0.86 0.79 -0.86 1.55 5.85 -0.73 -0.60 115.31 122.18 1i3m h LEU 171 Ca 0.18 -0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.78 1i3m h LEU 171 Cb 0.43 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1i3m h LEU 171 CO 0.01 0.54 -0.42 0.00 -0.34 0.00 0.00 178.44 178.24 1i3m h GLN 173 N 0.27 0.93 0.00 0.00 5.75 -0.70 -3.03 115.11 118.33 1i3m h GLN 173 Ca 0.02 -0.21 -0.18 0.00 -0.15 0.00 0.00 58.65 58.14 1i3m h GLN 173 Cb 0.85 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.25 1i3m h GLN 173 CO 0.07 0.84 -0.84 0.00 -2.65 0.00 0.00 178.83 176.24 1i3m h ALA 174 N 1.05 0.55 -3.15 3.38 0.00 -0.89 -3.41 119.26 116.79 1i3m h ALA 174 Ca 0.19 -0.77 -0.56 0.00 0.00 0.00 0.00 54.91 53.77 1i3m h ALA 174 Cb 0.30 -0.13 -0.40 0.00 0.00 0.00 0.00 17.79 17.56 1i3m h ALA 174 CO -0.00 1.05 -0.76 0.34 0.00 0.00 0.00 179.25 179.88 1i3m s ASP 175 N -6.71 3.75 0.13 0.00 3.68 -0.47 -4.97 116.67 112.08 1i3m s ASP 175 Ca 0.01 -1.42 0.10 0.00 2.13 0.00 0.00 52.55 53.37 1i3m s ASP 175 Cb 0.11 -0.76 0.53 0.00 -1.45 0.00 0.00 42.92 41.34 1i3m s ASP 175 CO 0.80 -0.39 1.32 0.29 0.13 0.00 0.00 175.17 177.31 1i3m n LYS 176 N 4.93 0.06 0.21 4.34 4.76 -1.23 -2.17 118.16 129.06 1i3m n LYS 176 Ca -0.04 0.52 0.11 0.00 -2.87 0.00 0.00 58.31 56.03 1i3m n LYS 176 Cb 0.43 -1.69 0.24 0.00 -1.84 0.00 0.00 35.03 32.17 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 0.19 -4.05 -0.18 1.35 -1.93 -3.46 112.91 104.83 1i3m h THR 177 Ca 0.00 -1.15 -0.48 0.00 -0.55 0.00 0.00 66.41 64.22 1i3m h THR 177 Cb 0.04 1.99 0.04 0.00 -1.73 0.00 0.00 68.15 68.50 1i3m h THR 177 CO 0.00 0.10 0.41 0.26 -0.25 0.00 0.00 175.52 176.04 1i3m s TRP 178 N -3.26 2.93 -0.07 4.73 0.52 -0.92 -4.92 118.94 117.96 1i3m s TRP 178 Ca 0.05 1.57 0.01 0.00 0.02 0.00 0.00 56.10 57.76 1i3m s TRP 178 Cb 0.06 -3.17 0.02 0.00 -1.15 0.00 0.00 33.47 29.23 1i3m s TRP 178 CO 0.66 -1.08 -0.09 -0.80 0.02 0.00 0.00 176.95 175.66 1i3m s ASN 179 N -1.78 1.60 -0.08 2.95 0.01 -0.11 -4.07 114.94 113.46 1i3m s ASN 179 Ca 0.67 -0.25 -0.04 0.00 -0.71 0.00 0.00 52.86 52.53 1i3m s ASN 179 Cb -0.21 -0.72 0.04 0.00 0.41 0.00 0.00 41.25 40.77 1i3m s ASN 179 CO 0.25 -0.01 0.18 0.68 -1.51 0.00 0.00 177.10 176.69 1i3m s VAL 180 N 0.90 -0.03 -0.25 1.60 -7.23 -0.29 -1.06 120.40 114.03 1i3m s VAL 180 Ca -0.11 0.13 -0.03 0.00 -1.81 0.00 0.00 61.98 60.16 1i3m s VAL 180 Cb -0.15 -0.29 0.01 0.00 0.56 0.00 0.00 36.38 36.52 1i3m s VAL 180 CO 0.01 0.05 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.14 1i3m s VAL 181 N 0.94 3.23 -0.28 1.32 1.01 0.51 -0.95 120.40 126.19 1i3m s VAL 181 Ca -0.07 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 60.95 1i3m s VAL 181 Cb -0.09 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 1i3m s VAL 181 CO -0.05 0.22 0.23 -0.76 0.00 0.00 0.00 175.10 174.73 1i3m s LEU 182 N 1.40 4.03 -0.28 3.92 1.43 0.01 -0.96 118.68 128.23 1i3m s LEU 182 Ca 0.02 0.05 -0.06 0.00 -1.03 0.00 0.00 54.13 53.10 1i3m s LEU 182 Cb -0.16 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 43.88 1i3m s LEU 182 CO -0.03 -0.08 0.05 -0.76 0.23 0.00 0.00 176.35 175.77 1i3m s LEU 183 N 1.82 3.62 -0.66 1.79 1.43 -0.58 -0.98 118.68 125.11 1i3m s LEU 183 Ca 0.09 -0.60 -0.20 0.00 -1.03 0.00 0.00 54.13 52.39 1i3m s LEU 183 Cb -0.16 -1.85 0.10 0.00 0.03 0.00 0.00 46.19 44.31 1i3m s LEU 183 CO 0.11 -0.14 0.83 -0.13 0.23 0.00 0.00 176.35 177.25 1i3m s ARG 184 N 1.50 3.16 0.52 1.70 0.52 0.36 0.52 118.95 127.23 1i3m s ARG 184 Ca 0.03 -1.29 -0.19 0.00 -0.52 0.00 0.00 55.73 53.77 1i3m s ARG 184 Cb -0.16 -4.34 -0.07 0.00 0.52 0.00 0.00 34.95 30.89 1i3m s ARG 184 CO 0.01 -1.64 1.04 0.71 0.02 0.00 0.00 175.30 175.45 1i3m s TYR 185 N 2.96 3.01 0.00 -0.53 2.02 -1.06 -0.74 117.35 123.01 1i3m s TYR 185 Ca 0.17 1.55 0.00 0.00 -0.37 0.00 0.00 57.07 58.43 1i3m s TYR 185 Cb -0.19 -3.04 0.00 0.00 -0.40 0.00 0.00 41.96 38.33 1i3m s TYR 185 CO 0.05 -0.90 0.00 1.19 -1.57 0.00 0.00 175.55 174.32 1i3m n PHE 186 N -1.31 0.00 -3.58 2.71 3.72 -0.77 -1.16 117.46 117.07 1i3m n PHE 186 Ca 0.09 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.09 1i3m n PHE 186 Cb 0.53 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.99 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 5.73 0.29 4.37 -0.87 -0.79 -4.79 114.94 117.87 1i3m s ASN 187 Ca 0.00 -2.45 -0.30 0.00 -1.57 0.00 0.00 52.86 48.54 1i3m s ASN 187 Cb 0.00 -1.98 -0.11 0.00 -0.02 0.00 0.00 41.25 39.14 1i3m s ASN 187 CO 0.00 -0.54 1.49 -2.84 -2.57 0.00 0.00 177.10 172.64 1i3m s PRO 188 N 0.54 4.21 0.26 -0.60 0.02 -1.26 -1.12 135.00 137.05 1i3m s PRO 188 Ca 0.13 2.42 -0.09 0.00 0.02 0.00 0.00 61.00 63.48 1i3m s PRO 188 Cb -0.20 -3.06 -0.01 0.00 0.02 0.00 0.00 34.50 31.25 1i3m s PRO 188 CO -0.04 -0.49 0.43 -0.08 -0.33 0.00 0.00 177.00 176.50 1i3m s THR 189 N -0.23 0.00 0.00 0.99 -1.32 0.88 -4.86 115.64 111.11 1i3m s THR 189 Ca 0.59 -1.53 0.00 0.00 -1.21 0.00 0.00 61.69 59.54 1i3m s THR 189 Cb -0.44 -2.35 0.00 0.00 -1.51 0.00 0.00 72.50 68.20 1i3m s THR 189 CO 0.48 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.50 1i3m n GLY 190 N -0.40 -2.01 3.63 6.08 0.00 -1.26 0.39 105.19 111.62 1i3m n GLY 190 Ca -0.01 -1.67 -0.09 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.36 -1.32 0.48 4.61 0.00 -1.26 -4.57 121.76 118.34 1i3m s ALA 191 Ca 0.00 0.02 -0.23 0.00 0.00 0.00 0.00 51.96 51.75 1i3m s ALA 191 Cb 0.00 0.87 -0.09 0.00 0.00 0.00 0.00 23.12 23.90 1i3m s ALA 191 CO 0.00 -0.89 1.07 1.58 0.00 0.00 0.00 175.76 177.51 1i3m n HIS 192 N -0.41 1.32 0.23 0.00 -0.00 -1.25 -4.77 115.22 110.35 1i3m n HIS 192 Ca -0.10 0.50 0.11 0.00 0.46 0.00 0.00 57.72 58.69 1i3m n HIS 192 Cb 0.62 -2.24 0.52 0.00 -0.12 0.00 0.00 29.99 28.77 1i3m n HIS 192 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1i3m n ALA 193 N -0.80 1.25 0.17 1.57 0.00 -1.26 -2.04 120.51 119.40 1i3m n ALA 193 Ca 0.10 0.15 0.02 0.00 0.00 0.00 0.00 53.44 53.70 1i3m n ALA 193 Cb 0.42 -1.32 0.30 0.00 0.00 0.00 0.00 19.45 18.85 1i3m n ALA 193 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1i3m h SER 194 N 0.00 0.00 0.00 0.00 4.64 -1.94 -3.47 113.55 112.79 1i3m h SER 194 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i3m h SER 194 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1i3m h SER 194 CO 0.00 0.45 0.00 0.61 -0.87 0.00 0.00 176.83 177.02 1i3m n GLY 195 N -0.18 0.88 0.10 -0.77 0.00 -0.87 -4.92 105.19 99.44 1i3m n GLY 195 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.95 0.99 0.00 0.00 -4.36 -1.26 -5.04 121.20 108.58 1i3m s ILE 197 Ca 0.02 -1.87 0.00 0.00 -0.26 0.00 0.00 60.65 58.53 1i3m s ILE 197 Cb 0.09 -1.63 0.00 0.00 1.25 0.00 0.00 42.46 42.18 1i3m s ILE 197 CO 0.78 -0.70 0.00 0.61 0.24 0.00 0.00 174.94 175.87 1i3m n GLY 198 N 0.13 0.93 3.70 6.27 0.00 -1.26 -3.82 105.19 111.13 1i3m n GLY 198 Ca -0.13 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 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 0.05 4.45 -0.63 1.61 2.12 -1.26 -4.82 118.70 120.22 1i3m s GLU 199 Ca 0.00 1.50 0.05 0.00 0.36 0.00 0.00 54.97 56.88 1i3m s GLU 199 Cb 0.00 -3.50 0.20 0.00 0.26 0.00 0.00 34.13 31.09 1i3m s GLU 199 CO 0.00 -0.25 0.57 -3.47 -0.54 0.00 0.00 175.26 171.56 1i3m n ASP 200 N 4.58 2.72 -4.77 -1.70 2.03 -1.26 -5.00 116.55 113.15 1i3m n ASP 200 Ca 0.08 -3.17 -0.36 0.00 0.52 0.00 0.00 54.79 51.86 1i3m n ASP 200 Cb 0.49 -0.70 -0.00 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 -1.64 3.56 -0.24 -0.67 0.04 -1.26 -4.97 135.00 129.82 1i3m s PRO 201 Ca 0.32 1.71 -0.08 0.00 0.04 0.00 0.00 61.00 62.98 1i3m s PRO 201 Cb 0.05 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1i3m s PRO 201 CO -0.12 -0.70 0.10 -0.65 0.04 0.00 0.00 177.00 175.68 1i3m s GLN 202 N -2.97 3.84 1.92 4.56 -0.21 -1.26 -4.98 119.66 120.56 1i3m s GLN 202 Ca 0.68 -0.39 0.00 0.00 0.02 0.00 0.00 55.36 55.67 1i3m s GLN 202 Cb -0.27 -3.39 0.00 0.00 1.00 0.00 0.00 33.01 30.35 1i3m s GLN 202 CO 0.31 -0.05 0.00 0.41 -2.12 0.00 0.00 175.29 173.84 1i3m n GLY 203 N 4.55 -1.23 3.65 3.09 0.00 -1.26 -4.77 105.19 109.23 1i3m n GLY 203 Ca -0.16 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 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 4.13 0.36 -0.61 1.01 -1.26 -4.97 121.20 119.86 1i3m s ILE 204 Ca 0.00 1.35 -0.28 0.00 0.00 0.00 0.00 60.65 61.71 1i3m s ILE 204 Cb 0.00 -3.93 -0.11 0.00 0.01 0.00 0.00 42.46 38.43 1i3m s ILE 204 CO 0.00 -0.19 1.44 -2.84 0.00 0.00 0.00 174.94 173.35 1i3m s PRO 205 N 3.75 4.17 0.07 2.79 0.02 -1.26 -4.91 135.00 139.64 1i3m s PRO 205 Ca 0.58 2.49 0.17 0.00 0.02 0.00 0.00 61.00 64.27 1i3m s PRO 205 Cb -0.23 -2.99 -0.12 0.00 0.02 0.00 0.00 34.50 31.18 1i3m s PRO 205 CO 0.19 -0.45 0.84 0.09 -0.33 0.00 0.00 177.00 177.34 1i3m n ASN 206 N 0.56 0.85 -4.93 2.53 5.03 -1.26 -4.84 115.26 113.20 1i3m n ASN 206 Ca 0.01 0.37 -0.26 0.00 0.87 0.00 0.00 54.58 55.57 1i3m n ASN 206 Cb 0.40 0.21 -0.02 0.00 -1.02 0.00 0.00 39.78 39.35 1i3m n ASN 206 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1i3m s ASN 207 N -5.72 6.36 0.05 6.41 4.22 -1.26 -5.04 114.94 119.96 1i3m s ASN 207 Ca -0.03 0.55 -0.25 0.00 -2.14 0.00 0.00 52.86 51.00 1i3m s ASN 207 Cb 0.09 -2.07 -0.12 0.00 1.28 0.00 0.00 41.25 40.42 1i3m s ASN 207 CO 0.81 -0.23 1.38 0.25 -2.04 0.00 0.00 177.10 177.26 1i3m h LEU 208 N 1.23 -0.90 -0.35 3.54 5.85 -2.00 -3.23 115.31 119.45 1i3m h LEU 208 Ca -0.49 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.37 1i3m h LEU 208 Cb 1.20 0.28 -0.07 0.00 0.37 0.00 0.00 40.66 42.45 1i3m h LEU 208 CO 0.64 -0.48 -0.09 0.24 -0.34 0.00 0.00 178.44 178.41 1i3m h MET 209 N -0.74 -0.01 -0.41 1.25 0.00 -1.96 -0.18 114.93 112.87 1i3m h MET 209 Ca -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 59.70 59.62 1i3m h MET 209 Cb 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 31.60 32.20 1i3m h MET 209 CO 0.01 -0.01 0.14 -1.35 0.00 0.00 0.00 176.91 175.71 1i3m h PRO 210 N -0.01 0.59 -0.17 -0.22 0.11 -1.99 -0.36 132.00 129.94 1i3m h PRO 210 Ca 0.17 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 66.17 1i3m h PRO 210 Cb 0.26 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1i3m h PRO 210 CO -0.36 0.51 -0.00 -0.92 -0.21 0.00 0.00 178.00 177.01 1i3m h TYR 211 N 0.59 0.34 -0.36 0.65 5.03 -1.38 -0.47 116.97 121.37 1i3m h TYR 211 Ca 0.14 -0.06 0.04 0.00 2.58 0.00 0.00 58.73 61.43 1i3m h TYR 211 Cb 0.15 -0.09 -0.04 0.00 1.55 0.00 0.00 36.73 38.31 1i3m h TYR 211 CO 0.01 0.52 0.13 0.28 -1.32 0.00 0.00 178.16 177.78 1i3m h VAL 212 N 0.05 0.91 -0.18 1.81 2.07 -0.37 -1.36 116.25 119.18 1i3m h VAL 212 Ca 0.05 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.41 1i3m h VAL 212 Cb 0.39 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1i3m h VAL 212 CO 0.01 0.05 -0.14 0.77 0.02 0.00 0.00 177.57 178.29 1i3m h SER 213 N 0.29 0.28 0.17 0.57 4.64 -0.98 -0.76 113.55 117.75 1i3m h SER 213 Ca 0.16 -0.06 -0.09 0.00 -0.47 0.00 0.00 61.79 61.32 1i3m h SER 213 Cb 0.13 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1i3m h SER 213 CO -0.16 0.44 -0.34 1.56 -0.87 0.00 0.00 176.83 177.46 1i3m h GLN 214 N 0.28 0.25 -0.04 4.77 4.20 -0.15 0.95 115.11 125.37 1i3m h GLN 214 Ca 0.05 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1i3m h GLN 214 Cb 0.41 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 1i3m h GLN 214 CO 0.02 0.57 -0.03 0.28 -0.67 0.00 0.00 178.83 179.01 1i3m h VAL 215 N 0.22 1.36 -0.97 -0.54 2.07 -0.45 -0.25 116.25 117.69 1i3m h VAL 215 Ca 0.03 -1.10 0.09 0.00 0.82 0.00 0.00 66.70 66.54 1i3m h VAL 215 Cb 0.72 2.02 -0.07 0.00 -1.52 0.00 0.00 31.29 32.44 1i3m h VAL 215 CO 0.05 0.30 0.62 0.00 0.02 0.00 0.00 177.57 178.56 1i3m h ALA 216 N 0.57 1.52 0.00 1.67 0.00 -0.83 0.12 119.26 122.30 1i3m h ALA 216 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1i3m h ALA 216 Cb 0.49 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1i3m h ALA 216 CO 0.01 0.29 0.00 0.97 0.00 0.00 0.00 179.25 180.52 1i3m h ILE 217 N 1.03 0.00 0.00 0.00 6.09 -0.76 -3.47 117.51 120.39 1i3m h ILE 217 Ca 0.45 -0.38 0.00 0.00 -1.37 0.00 0.00 64.86 63.55 1i3m h ILE 217 Cb 0.35 1.27 0.00 0.00 0.47 0.00 0.00 36.82 38.90 1i3m h ILE 217 CO -0.20 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 175.49 1i3m n GLY 218 N 0.69 0.92 0.09 8.18 0.00 0.41 -4.99 105.19 110.48 1i3m n GLY 218 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 3.91 0.18 -6.58 1.61 2.43 -1.25 -3.46 114.38 111.21 1i3m h ARG 219 Ca 0.00 -0.30 -0.69 0.00 -0.81 0.00 0.00 59.98 58.18 1i3m h ARG 219 Cb 0.00 0.11 -0.23 0.00 -0.42 0.00 0.00 29.97 29.43 1i3m h ARG 219 CO 0.00 1.08 -0.82 1.03 -1.51 0.00 0.00 179.97 179.76 1i3m s ARG 220 N -2.65 2.06 -0.05 0.20 0.52 -1.10 -4.99 118.95 112.95 1i3m s ARG 220 Ca -0.04 -0.98 -0.25 0.00 -0.52 0.00 0.00 55.73 53.94 1i3m s ARG 220 Cb 0.08 -2.16 -0.22 0.00 0.52 0.00 0.00 34.95 33.17 1i3m s ARG 220 CO 0.86 0.54 1.08 1.05 0.02 0.00 0.00 175.30 178.85 1i3m h GLU 221 N 4.69 0.14 -3.21 3.54 4.11 -1.90 -3.39 114.58 118.55 1i3m h GLU 221 Ca -0.47 -0.12 -0.11 0.00 0.07 0.00 0.00 59.36 58.73 1i3m h GLU 221 Cb 1.15 0.03 -0.18 0.00 0.50 0.00 0.00 28.75 30.25 1i3m h GLU 221 CO 0.47 0.82 -0.28 0.00 0.07 0.00 0.00 179.01 180.09 1i3m s ALA 222 N -3.39 -0.69 0.14 1.06 0.00 -1.26 -4.60 121.76 113.01 1i3m s ALA 222 Ca -0.16 0.12 -0.30 0.00 0.00 0.00 0.00 51.96 51.62 1i3m s ALA 222 Cb 0.01 0.20 -0.07 0.00 0.00 0.00 0.00 23.12 23.27 1i3m s ALA 222 CO 0.72 -0.33 0.96 -1.17 0.00 0.00 0.00 175.76 175.94 1i3m s LEU 223 N -1.72 4.53 -0.39 0.00 2.96 0.21 -4.84 118.68 119.43 1i3m s LEU 223 Ca -0.09 1.84 -0.18 0.00 -0.22 0.00 0.00 54.13 55.48 1i3m s LEU 223 Cb -0.03 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 43.08 1i3m s LEU 223 CO 0.00 -0.03 0.52 0.20 -1.32 0.00 0.00 176.35 175.72 1i3m s ASN 224 N -0.25 6.28 -0.22 3.68 0.02 -1.26 0.85 114.94 124.04 1i3m s ASN 224 Ca 0.46 -0.28 -0.20 0.00 -1.02 0.00 0.00 52.86 51.82 1i3m s ASN 224 Cb -0.24 -2.27 -0.02 0.00 0.02 0.00 0.00 41.25 38.74 1i3m s ASN 224 CO 0.31 -0.57 0.59 -0.69 0.02 0.00 0.00 177.10 176.75 1i3m s VAL 225 N 2.41 5.03 -1.31 1.60 1.01 0.25 -4.90 120.40 124.50 1i3m s VAL 225 Ca 0.18 1.08 -0.17 0.00 0.00 0.00 0.00 61.98 63.07 1i3m s VAL 225 Cb -0.16 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.33 1i3m s VAL 225 CO 0.15 0.09 2.06 0.49 0.00 0.00 0.00 175.10 177.90 1i3m n PHE 226 N 5.28 3.48 0.00 5.22 0.99 -1.26 0.08 117.46 131.24 1i3m n PHE 226 Ca -0.02 -2.69 0.00 0.00 -0.00 0.00 0.00 57.45 54.74 1i3m n PHE 226 Cb 0.50 -2.45 0.00 0.00 -1.00 0.00 0.00 39.48 36.53 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 4.53 -0.56 0.81 1.37 0.00 -0.20 -4.20 105.19 106.93 1i3m n GLY 227 Ca 0.51 -1.41 0.02 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.64 0.42 -1.04 1.61 6.94 -1.25 -4.57 115.26 116.73 1i3m n ASN 228 Ca 0.00 -2.06 0.02 0.00 -0.02 0.00 0.00 54.58 52.52 1i3m n ASN 228 Cb 0.00 -0.24 0.23 0.00 -2.36 0.00 0.00 39.78 37.40 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 0.10 3.23 -4.90 0.53 3.85 -1.00 -4.29 116.55 114.07 1i3m n ASP 229 Ca 0.03 -3.38 -0.28 0.00 -0.71 0.00 0.00 54.79 50.45 1i3m n ASP 229 Cb 0.84 -0.59 0.04 0.00 -1.35 0.00 0.00 41.12 40.06 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 -3.03 3.26 -1.41 2.11 2.02 0.59 -4.93 117.35 115.96 1i3m s TYR 230 Ca 0.44 0.81 -0.13 0.00 -0.37 0.00 0.00 57.07 57.82 1i3m s TYR 230 Cb 0.37 -2.92 0.07 0.00 -0.40 0.00 0.00 41.96 39.09 1i3m s TYR 230 CO 0.05 -1.02 2.13 -3.47 -1.57 0.00 0.00 175.55 171.67 1i3m n ASP 231 N -2.80 4.19 -4.29 2.29 2.03 -1.26 -4.15 116.55 112.55 1i3m n ASP 231 Ca 0.06 -2.91 -0.15 0.00 0.52 0.00 0.00 54.79 52.31 1i3m n ASP 231 Cb 0.58 -1.62 -0.10 0.00 -0.72 0.00 0.00 41.12 39.25 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 2.57 0.60 0.23 5.18 -4.23 -1.26 -4.94 115.64 113.79 1i3m s THR 232 Ca 0.45 -1.99 -0.08 0.00 -1.18 0.00 0.00 61.69 58.89 1i3m s THR 232 Cb 0.13 -2.45 0.20 0.00 1.34 0.00 0.00 72.50 71.71 1i3m s THR 232 CO -0.06 -0.17 1.70 -0.08 -0.54 0.00 0.00 174.62 175.46 1i3m h GLU 233 N 2.50 0.26 -0.02 3.99 4.57 -1.88 -2.75 114.58 121.24 1i3m h GLU 233 Ca -0.38 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 1i3m h GLU 233 Cb 1.23 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1i3m h GLU 233 CO 0.61 0.17 -0.01 -0.40 -1.18 0.00 0.00 179.01 178.20 1i3m n ASP 234 N -5.14 2.34 0.00 1.04 5.68 -1.26 -4.96 116.55 114.25 1i3m n ASP 234 Ca 0.11 -1.67 0.00 0.00 -0.50 0.00 0.00 54.79 52.74 1i3m n ASP 234 Cb 0.38 0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 1i3m n ASP 234 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i3m n GLY 235 N 0.93 1.30 3.94 6.12 0.00 -1.04 -4.90 105.19 111.54 1i3m n GLY 235 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.39 5.27 0.41 2.61 -4.23 -1.26 -0.30 115.64 115.75 1i3m s THR 236 Ca 0.00 -0.56 -0.25 0.00 -1.18 0.00 0.00 61.69 59.70 1i3m s THR 236 Cb 0.00 -3.75 -0.10 0.00 1.34 0.00 0.00 72.50 69.99 1i3m s THR 236 CO 0.00 -0.15 1.15 0.61 -0.54 0.00 0.00 174.62 175.68 1i3m n GLY 237 N -0.68 0.18 3.36 3.99 0.00 -1.26 -4.59 105.19 106.20 1i3m n GLY 237 Ca -0.06 0.18 -0.33 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 -1.22 2.83 0.05 1.61 1.01 -0.34 -1.75 120.40 122.58 1i3m s VAL 238 Ca 0.62 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 1i3m s VAL 238 Cb -0.54 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 1i3m s VAL 238 CO 0.57 0.55 0.03 -0.13 0.00 0.00 0.00 175.10 176.13 1i3m s ARG 239 N 0.07 0.58 -0.66 2.72 1.81 -0.62 -1.28 118.95 121.57 1i3m s ARG 239 Ca -0.07 -0.94 -0.20 0.00 -1.72 0.00 0.00 55.73 52.80 1i3m s ARG 239 Cb -0.15 0.21 0.10 0.00 -0.45 0.00 0.00 34.95 34.67 1i3m s ARG 239 CO 0.05 -0.13 0.83 0.34 -0.68 0.00 0.00 175.30 175.71 1i3m s ASP 240 N -2.42 6.26 -0.03 0.23 3.68 -0.94 -1.05 116.67 122.41 1i3m s ASP 240 Ca -0.01 -1.45 -0.27 0.00 2.13 0.00 0.00 52.55 52.95 1i3m s ASP 240 Cb 0.02 -2.34 -0.03 0.00 -1.45 0.00 0.00 42.92 39.12 1i3m s ASP 240 CO -0.07 -1.17 0.87 -0.31 0.13 0.00 0.00 175.17 174.62 1i3m s TYR 241 N 2.94 3.63 -0.04 -5.34 2.02 -1.26 -1.89 117.35 117.41 1i3m s TYR 241 Ca 0.17 1.52 0.03 0.00 -0.37 0.00 0.00 57.07 58.43 1i3m s TYR 241 Cb -0.19 -3.00 0.00 0.00 -0.40 0.00 0.00 41.96 38.37 1i3m s TYR 241 CO 0.05 0.03 -0.13 -1.50 -1.57 0.00 0.00 175.55 172.42 1i3m s ILE 242 N 0.94 1.15 0.16 2.71 2.07 -0.28 -4.61 121.20 123.34 1i3m s ILE 242 Ca 0.46 -0.55 -0.31 0.00 -1.41 0.00 0.00 60.65 58.83 1i3m s ILE 242 Cb -0.20 -1.01 -0.11 0.00 0.13 0.00 0.00 42.46 41.27 1i3m s ILE 242 CO 0.24 0.34 1.77 -2.28 -1.91 0.00 0.00 174.94 173.10 1i3m s HIS 243 N 0.19 2.50 0.50 3.50 5.65 -1.26 -0.08 115.29 126.29 1i3m s HIS 243 Ca -0.05 0.17 0.22 0.00 0.25 0.00 0.00 55.06 55.65 1i3m s HIS 243 Cb -0.11 -4.14 1.29 0.00 -1.18 0.00 0.00 32.58 28.44 1i3m s HIS 243 CO 0.02 -4.53 1.98 -0.24 -0.65 0.00 0.00 174.74 171.31 1i3m h VAL 244 N 4.32 0.76 -0.46 0.89 3.04 -0.35 -0.00 116.25 124.45 1i3m h VAL 244 Ca -0.45 -0.04 -0.13 0.00 -1.01 0.00 0.00 66.70 65.07 1i3m h VAL 244 Cb 1.21 0.62 -0.01 0.00 -2.01 0.00 0.00 31.29 31.10 1i3m h VAL 244 CO 0.95 0.02 -0.23 0.58 -1.01 0.00 0.00 177.57 177.89 1i3m h VAL 245 N 0.13 1.27 -0.41 1.51 2.07 -1.88 0.10 116.25 119.04 1i3m h VAL 245 Ca 0.28 -1.38 -0.05 0.00 0.82 0.00 0.00 66.70 66.37 1i3m h VAL 245 Cb 0.93 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1i3m h VAL 245 CO -0.04 0.47 0.06 0.44 0.02 0.00 0.00 177.57 178.53 1i3m h ASP 246 N 0.81 0.66 -0.33 0.57 3.32 -1.42 -1.20 116.42 118.83 1i3m h ASP 246 Ca 0.10 -0.27 0.03 0.00 0.02 0.00 0.00 57.03 56.92 1i3m h ASP 246 Cb 0.79 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 1i3m h ASP 246 CO 0.07 0.76 0.14 0.25 -1.72 0.00 0.00 179.24 178.74 1i3m h LEU 247 N 0.54 0.19 -0.84 1.55 5.85 -1.07 -0.11 115.31 121.42 1i3m h LEU 247 Ca 0.12 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1i3m h LEU 247 Cb 0.38 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1i3m h LEU 247 CO 0.01 0.15 0.53 0.00 -0.34 0.00 0.00 178.44 178.79 1i3m h ALA 248 N 1.19 1.07 0.00 1.25 0.00 -0.60 -1.59 119.26 120.58 1i3m h ALA 248 Ca 0.14 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1i3m h ALA 248 Cb 0.08 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1i3m h ALA 248 CO -0.12 0.51 -0.24 0.87 0.00 0.00 0.00 179.25 180.26 1i3m h LYS 249 N 1.15 0.00 0.00 0.00 1.57 -0.51 -1.61 116.57 117.17 1i3m h LYS 249 Ca 0.30 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 1i3m h LYS 249 Cb -0.09 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 1i3m h LYS 249 CO -0.06 0.24 -0.03 0.78 -0.57 0.00 0.00 179.45 179.81 1i3m h GLY 250 N 0.89 0.00 1.60 3.86 0.00 0.00 -1.84 103.07 107.58 1i3m h GLY 250 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 1i3m h GLY 250 CO 0.03 0.00 -0.75 0.45 0.00 0.00 0.00 176.54 176.27 1i3m h HIS 251 N 0.00 0.52 -0.29 5.60 3.86 -1.24 -0.97 115.15 122.63 1i3m h HIS 251 Ca -0.00 -0.24 -0.13 0.00 -1.16 0.00 0.00 60.37 58.84 1i3m h HIS 251 Cb 0.11 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 1i3m h HIS 251 CO 0.00 1.00 -0.34 0.82 0.86 0.00 0.00 177.93 180.27 1i3m h ILE 252 N 0.26 1.29 -0.62 2.45 5.03 -1.38 -1.56 117.51 122.97 1i3m h ILE 252 Ca -0.04 -1.47 -0.10 0.00 -0.12 0.00 0.00 64.86 63.14 1i3m h ILE 252 Cb 1.34 1.42 -0.02 0.00 -3.03 0.00 0.00 36.82 36.53 1i3m h ILE 252 CO 0.13 0.47 0.01 0.00 -0.68 0.00 0.00 178.15 178.09 1i3m h ALA 253 N 1.09 0.84 -0.67 1.87 0.00 -1.27 -2.27 119.26 118.85 1i3m h ALA 253 Ca 0.06 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1i3m h ALA 253 Cb 0.84 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1i3m h ALA 253 CO 0.07 0.67 0.28 0.00 0.00 0.00 0.00 179.25 180.28 1i3m h ALA 254 N 1.00 0.87 -0.95 0.00 0.00 -0.80 -1.04 119.26 118.34 1i3m h ALA 254 Ca 0.18 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1i3m h ALA 254 Cb 0.55 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1i3m h ALA 254 CO 0.03 0.48 0.58 -0.07 0.00 0.00 0.00 179.25 180.27 1i3m h LEU 255 N 0.95 1.14 -1.05 0.00 3.38 -0.95 -1.55 115.31 117.23 1i3m h LEU 255 Ca 0.23 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1i3m h LEU 255 Cb 0.19 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1i3m h LEU 255 CO -0.02 0.86 -0.11 0.03 0.09 0.00 0.00 178.44 179.30 1i3m h ARG 256 N 1.31 0.55 -0.72 1.13 3.08 -0.99 -2.58 114.38 116.16 1i3m h ARG 256 Ca 0.34 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 60.17 1i3m h ARG 256 Cb -0.07 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 1i3m h ARG 256 CO -0.07 0.66 0.22 -0.22 -1.07 0.00 0.00 179.97 179.49 1i3m h LYS 257 N 0.51 1.12 -0.66 0.04 1.63 -0.27 -2.75 116.57 116.20 1i3m h LYS 257 Ca 0.10 -0.24 0.03 0.00 -0.85 0.00 0.00 60.65 59.68 1i3m h LYS 257 Cb 0.49 -0.16 -0.04 0.00 -0.60 0.00 0.00 32.23 31.92 1i3m h LYS 257 CO 0.03 0.95 0.41 -0.07 -3.45 0.00 0.00 179.45 177.33 1i3m h LEU 258 N 1.07 0.68 -2.01 5.20 3.38 -0.95 -0.82 115.31 121.86 1i3m h LEU 258 Ca 0.23 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1i3m h LEU 258 Cb 0.31 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1i3m h LEU 258 CO -0.01 0.48 0.04 0.11 0.09 0.00 0.00 178.44 179.15 1i3m h LYS 259 N 0.82 0.00 -0.08 1.13 1.79 -1.18 0.41 116.57 119.46 1i3m h LYS 259 Ca 0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 1i3m h LYS 259 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1i3m h LYS 259 CO -0.10 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 178.66 1i3m n GLU 260 N -2.59 1.50 -3.41 3.15 1.02 -0.31 -4.90 120.64 115.09 1i3m n GLU 260 Ca -0.02 -0.74 -0.18 0.00 -0.02 0.00 0.00 57.16 56.19 1i3m n GLU 260 Cb 0.09 -1.41 0.07 0.00 -0.02 0.00 0.00 31.44 30.17 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 -0.06 -3.75 0.00 3.49 1.13 0.14 -4.90 117.38 113.44 1i3m n GLN 261 Ca 0.17 0.78 0.14 0.00 -1.94 0.00 0.00 57.00 56.16 1i3m n GLN 261 Cb 0.26 -5.55 0.67 0.00 0.11 0.00 0.00 30.24 25.73 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 1.41 -0.02 3.71 0.00 0.00 -1.26 -4.62 105.19 104.40 1i3m n GLY 263 Ca 0.10 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 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 0.94 0.58 -0.07 0.00 1.81 -0.12 -4.95 118.95 117.13 1i3m s ARG 265 Ca 0.30 -0.67 0.01 0.00 -1.72 0.00 0.00 55.73 53.66 1i3m s ARG 265 Cb -0.16 -0.43 0.02 0.00 -0.45 0.00 0.00 34.95 33.93 1i3m s ARG 265 CO 0.13 0.09 -0.07 0.42 -0.68 0.00 0.00 175.30 175.19 1i3m s ILE 266 N -1.08 0.83 0.00 1.52 1.01 -1.26 -0.81 121.20 121.41 1i3m s ILE 266 Ca -0.06 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.35 1i3m s ILE 266 Cb -0.08 -0.82 -0.01 0.00 0.01 0.00 0.00 42.46 41.56 1i3m s ILE 266 CO 0.01 0.30 -0.06 -0.31 0.00 0.00 0.00 174.94 174.88 1i3m s TYR 267 N 1.06 0.49 0.30 3.97 1.51 -0.15 -4.97 117.35 119.56 1i3m s TYR 267 Ca -0.08 -0.14 -0.25 0.00 -1.01 0.00 0.00 57.07 55.59 1i3m s TYR 267 Cb -0.14 -0.31 -0.10 0.00 -0.11 0.00 0.00 41.96 41.30 1i3m s TYR 267 CO -0.01 -0.02 0.90 -0.80 -1.11 0.00 0.00 175.55 174.51 1i3m s ASN 268 N -0.31 7.28 -0.42 2.29 0.01 -1.26 -0.49 114.94 122.05 1i3m s ASN 268 Ca 0.00 1.75 0.03 0.00 -0.71 0.00 0.00 52.86 53.94 1i3m s ASN 268 Cb -0.03 -2.55 0.11 0.00 0.41 0.00 0.00 41.25 39.20 1i3m s ASN 268 CO -0.00 -0.04 0.15 -0.76 -1.51 0.00 0.00 177.10 174.94 1i3m s LEU 269 N -2.02 4.18 0.35 0.60 1.43 0.08 -4.70 118.68 118.60 1i3m s LEU 269 Ca 0.48 -2.49 -0.05 0.00 -1.03 0.00 0.00 54.13 51.05 1i3m s LEU 269 Cb -0.18 -1.51 0.01 0.00 0.03 0.00 0.00 46.19 44.54 1i3m s LEU 269 CO 0.23 -0.32 0.54 -0.83 0.23 0.00 0.00 176.35 176.21 1i3m s GLY 270 N 0.46 1.25 0.00 -3.19 0.00 -1.26 -1.84 107.32 102.73 1i3m s GLY 270 Ca 0.14 -1.35 0.21 0.00 0.00 0.00 0.00 44.72 43.71 1i3m s GLY 270 CO -0.06 -0.85 0.57 -1.30 0.00 0.00 0.00 173.10 171.46 1i3m n THR 271 N -0.56 0.49 -0.20 0.90 -2.24 -1.26 -4.59 114.28 106.82 1i3m n THR 271 Ca -0.01 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1i3m n THR 271 Cb 0.61 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 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 1.34 0.76 3.35 3.38 0.00 -1.26 -4.86 105.19 107.90 1i3m n GLY 272 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.51 2.81 -0.12 2.61 2.01 -1.26 -4.75 115.64 114.42 1i3m s THR 273 Ca 0.00 -0.76 -0.06 0.00 0.31 0.00 0.00 61.69 61.18 1i3m s THR 273 Cb 0.00 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 1i3m s THR 273 CO 0.00 0.54 0.12 -0.83 -0.69 0.00 0.00 174.62 173.76 1i3m s GLY 274 N 0.22 2.10 0.01 4.40 0.00 -1.26 -4.09 107.32 108.70 1i3m s GLY 274 Ca -0.10 -0.67 0.05 0.00 0.00 0.00 0.00 44.72 44.00 1i3m s GLY 274 CO 0.06 -0.36 -0.16 -0.19 0.00 0.00 0.00 173.10 172.45 1i3m s TYR 275 N -0.87 1.42 0.74 1.90 2.02 -0.21 -4.86 117.35 117.49 1i3m s TYR 275 Ca 0.14 -0.31 -0.07 0.00 -0.37 0.00 0.00 57.07 56.46 1i3m s TYR 275 Cb -0.12 -0.88 0.09 0.00 -0.40 0.00 0.00 41.96 40.65 1i3m s TYR 275 CO 0.03 0.02 1.05 -1.54 -1.57 0.00 0.00 175.55 173.54 1i3m s SER 276 N -0.76 4.53 0.13 2.29 1.04 -1.26 -1.59 113.70 118.08 1i3m s SER 276 Ca 0.05 0.31 -0.20 0.00 0.48 0.00 0.00 55.95 56.59 1i3m s SER 276 Cb -0.07 -0.84 -0.03 0.00 0.10 0.00 0.00 66.02 65.18 1i3m s SER 276 CO 0.00 -1.78 1.72 0.58 0.98 0.00 0.00 173.24 174.74 1i3m h VAL 277 N -0.72 0.85 -0.46 5.02 2.07 -1.59 -0.80 116.25 120.62 1i3m h VAL 277 Ca -0.43 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 1i3m h VAL 277 Cb 1.30 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1i3m h VAL 277 CO 0.54 0.01 0.12 -0.07 0.02 0.00 0.00 177.57 178.19 1i3m h LEU 278 N 0.05 0.63 -1.01 2.57 3.38 -1.93 -0.55 115.31 118.45 1i3m h LEU 278 Ca 0.09 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1i3m h LEU 278 Cb 0.12 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1i3m h LEU 278 CO -0.17 0.63 -0.11 1.56 0.09 0.00 0.00 178.44 180.44 1i3m h GLN 279 N 0.67 0.59 -0.40 1.13 4.20 -1.75 -1.28 115.11 118.27 1i3m h GLN 279 Ca 0.15 -0.17 -0.13 0.00 0.06 0.00 0.00 58.65 58.56 1i3m h GLN 279 Cb 0.24 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1i3m h GLN 279 CO -0.00 0.69 -0.26 0.52 -0.67 0.00 0.00 178.83 179.11 1i3m h MET 280 N 0.54 0.87 -0.26 1.46 2.86 -0.20 -1.24 114.93 118.97 1i3m h MET 280 Ca 0.10 -0.41 0.02 0.00 -2.06 0.00 0.00 59.70 57.35 1i3m h MET 280 Cb 0.51 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1i3m h MET 280 CO 0.03 1.06 0.12 0.28 1.06 0.00 0.00 176.91 179.45 1i3m h VAL 281 N 0.69 0.98 -0.77 -2.22 2.07 -0.91 -0.41 116.25 115.67 1i3m h VAL 281 Ca 0.08 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.53 1i3m h VAL 281 Cb 0.83 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1i3m h VAL 281 CO 0.07 0.05 0.50 -0.61 0.02 0.00 0.00 177.57 177.59 1i3m h GLN 282 N 0.25 0.97 -0.05 1.57 4.15 -1.18 0.95 115.11 121.78 1i3m h GLN 282 Ca 0.11 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.40 1i3m h GLN 282 Cb 0.04 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 1i3m h GLN 282 CO -0.08 0.64 -0.31 0.00 -1.93 0.00 0.00 178.83 177.15 1i3m h ALA 283 N 1.30 1.39 -0.14 3.38 0.00 -0.73 -1.56 119.26 122.90 1i3m h ALA 283 Ca 0.29 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1i3m h ALA 283 Cb -0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1i3m h ALA 283 CO -0.08 0.44 -0.66 0.52 0.00 0.00 0.00 179.25 179.47 1i3m h MET 284 N 0.09 0.55 -0.40 0.00 2.86 -0.10 -0.29 114.93 117.64 1i3m h MET 284 Ca 0.01 -0.40 -0.00 0.00 -2.06 0.00 0.00 59.70 57.25 1i3m h MET 284 Cb 0.59 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 1i3m h MET 284 CO 0.04 1.02 0.24 0.93 1.06 0.00 0.00 176.91 180.21 1i3m h GLU 285 N 0.39 0.55 -0.73 1.72 5.08 -0.53 0.14 114.58 121.21 1i3m h GLU 285 Ca -0.02 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1i3m h GLU 285 Cb 1.24 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 1i3m h GLU 285 CO 0.12 0.42 0.39 -0.22 -1.00 0.00 0.00 179.01 178.72 1i3m h LYS 286 N 0.53 1.02 -0.29 2.33 3.64 -1.15 0.67 116.57 123.32 1i3m h LYS 286 Ca 0.14 -0.12 -0.13 0.00 -1.27 0.00 0.00 60.65 59.27 1i3m h LYS 286 Cb 0.01 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1i3m h LYS 286 CO -0.03 0.77 -0.33 0.00 -2.27 0.00 0.00 179.45 177.59 1i3m h ALA 287 N 1.20 0.43 0.00 5.00 0.00 -0.55 -3.30 119.26 122.05 1i3m h ALA 287 Ca 0.25 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 1i3m h ALA 287 Cb 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1i3m h ALA 287 CO -0.04 0.48 -0.62 0.66 0.00 0.00 0.00 179.25 179.73 1i3m h SER 288 N 0.49 0.00 -0.26 0.00 4.64 -0.70 -3.47 113.55 114.25 1i3m h SER 288 Ca 0.04 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.25 1i3m h SER 288 Cb 0.91 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.95 1i3m h SER 288 CO 0.08 0.60 -0.10 0.61 -0.87 0.00 0.00 176.83 177.15 1i3m n GLY 289 N 1.25 0.80 3.23 -0.77 0.00 0.22 -5.02 105.19 104.90 1i3m n GLY 289 Ca 0.01 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.42 1.03 0.30 1.61 -0.14 -1.21 -5.06 119.74 113.85 1i3m s LYS 290 Ca 0.00 -1.02 -0.28 0.00 -1.36 0.00 0.00 55.97 53.31 1i3m s LYS 290 Cb 0.00 -1.17 -0.09 0.00 -1.68 0.00 0.00 37.83 34.89 1i3m s LYS 290 CO 0.00 0.27 1.01 0.15 -0.76 0.00 0.00 175.35 176.02 1i3m s LYS 291 N -1.67 4.60 -0.36 1.68 -0.14 -1.26 -4.35 119.74 118.24 1i3m s LYS 291 Ca 0.03 1.55 0.03 0.00 -1.36 0.00 0.00 55.97 56.22 1i3m s LYS 291 Cb -0.10 -3.00 0.11 0.00 -1.68 0.00 0.00 37.83 33.16 1i3m s LYS 291 CO 0.03 0.25 0.09 0.42 -0.76 0.00 0.00 175.35 175.38 1i3m s ILE 292 N -1.37 2.01 0.83 2.17 1.01 -1.26 -4.85 121.20 119.74 1i3m s ILE 292 Ca 0.47 -2.30 -0.11 0.00 0.00 0.00 0.00 60.65 58.71 1i3m s ILE 292 Cb -0.25 -2.48 0.09 0.00 0.01 0.00 0.00 42.46 39.83 1i3m s ILE 292 CO 0.32 -0.65 1.09 -2.84 0.00 0.00 0.00 174.94 172.86 1i3m s PRO 293 N 0.86 1.82 0.07 2.79 0.02 -1.26 -4.88 135.00 134.43 1i3m s PRO 293 Ca 0.12 1.03 -0.26 0.00 0.02 0.00 0.00 61.00 61.91 1i3m s PRO 293 Cb -0.20 -1.86 0.08 0.00 0.02 0.00 0.00 34.50 32.55 1i3m s PRO 293 CO -0.10 -1.91 0.71 1.52 -0.33 0.00 0.00 177.00 176.90 1i3m s TYR 294 N -2.91 -0.49 -0.01 6.54 1.13 -1.26 -0.62 117.35 119.74 1i3m s TYR 294 Ca 0.62 0.39 0.03 0.00 -1.41 0.00 0.00 57.07 56.70 1i3m s TYR 294 Cb -0.18 0.53 -0.01 0.00 -1.10 0.00 0.00 41.96 41.21 1i3m s TYR 294 CO 0.56 -0.71 -0.09 -1.59 -2.51 0.00 0.00 175.55 171.21 1i3m s LYS 295 N -3.17 0.76 -0.16 -3.49 -2.85 0.25 -4.84 119.74 106.24 1i3m s LYS 295 Ca 0.01 -0.33 -0.24 0.00 -1.00 0.00 0.00 55.97 54.41 1i3m s LYS 295 Cb -0.01 -0.74 -0.02 0.00 -2.06 0.00 0.00 37.83 35.00 1i3m s LYS 295 CO -0.09 0.19 0.75 0.08 0.10 0.00 0.00 175.35 176.39 1i3m s VAL 296 N -0.19 4.95 0.13 1.79 1.01 -1.26 0.87 120.40 127.69 1i3m s VAL 296 Ca 0.03 1.48 0.00 0.00 0.00 0.00 0.00 61.98 63.49 1i3m s VAL 296 Cb -0.04 -4.07 -0.00 0.00 0.00 0.00 0.00 36.38 32.27 1i3m s VAL 296 CO -0.00 0.09 0.01 1.33 0.00 0.00 0.00 175.10 176.53 1i3m n VAL 297 N 4.54 0.00 -1.39 2.92 0.24 0.11 -4.88 118.33 119.88 1i3m n VAL 297 Ca 0.02 -0.63 -0.34 0.00 -2.04 0.00 0.00 64.34 61.35 1i3m n VAL 297 Cb 0.49 0.14 0.10 0.00 -1.47 0.00 0.00 33.84 33.11 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 -2.24 2.08 0.69 2.33 0.00 -1.26 -1.04 121.76 122.33 1i3m s ALA 298 Ca 0.01 0.91 -0.16 0.00 0.00 0.00 0.00 51.96 52.72 1i3m s ALA 298 Cb 0.00 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.65 1i3m s ALA 298 CO 0.01 -1.95 1.21 1.03 0.00 0.00 0.00 175.76 176.06 1i3m s ARG 299 N -3.91 2.36 -0.09 0.00 0.52 -1.26 -3.56 118.95 113.02 1i3m s ARG 299 Ca 0.75 1.79 -0.16 0.00 -0.52 0.00 0.00 55.73 57.59 1i3m s ARG 299 Cb -0.30 -1.86 -0.05 0.00 0.52 0.00 0.00 34.95 33.27 1i3m s ARG 299 CO 0.46 -1.68 0.42 0.50 0.02 0.00 0.00 175.30 175.02 1i3m s ARG 300 N -3.76 4.19 0.15 3.54 3.52 -1.26 -4.92 118.95 120.41 1i3m s ARG 300 Ca 0.76 0.37 -0.34 0.00 -0.13 0.00 0.00 55.73 56.39 1i3m s ARG 300 Cb -0.30 -3.36 -0.15 0.00 -1.56 0.00 0.00 34.95 29.58 1i3m s ARG 300 CO 0.42 0.35 1.41 -1.91 -0.81 0.00 0.00 175.30 174.77 1i3m n GLU 301 N 3.02 1.64 -0.97 5.12 2.13 -1.26 -2.11 120.64 128.21 1i3m n GLU 301 Ca -0.10 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.31 1i3m n GLU 301 Cb 0.52 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 29.97 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 2.72 0.53 3.74 8.31 0.00 -1.26 -5.01 105.19 114.23 1i3m n GLY 302 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1i3m n GLY 302 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i3m s ASP 303 N -2.24 6.97 0.27 1.61 -1.08 -0.90 -5.03 116.67 116.28 1i3m s ASP 303 Ca 0.00 2.37 -0.03 0.00 -0.52 0.00 0.00 52.55 54.37 1i3m s ASP 303 Cb 0.00 -2.61 -0.05 0.00 -1.46 0.00 0.00 42.92 38.80 1i3m s ASP 303 CO 0.00 -0.45 0.51 0.68 0.52 0.00 0.00 175.17 176.43 1i3m s VAL 304 N -0.18 5.08 0.02 1.11 -7.23 -1.26 -5.02 120.40 112.93 1i3m s VAL 304 Ca 0.54 -0.12 -0.26 0.00 -1.81 0.00 0.00 61.98 60.33 1i3m s VAL 304 Cb -0.35 -3.75 -0.17 0.00 0.56 0.00 0.00 36.38 32.68 1i3m s VAL 304 CO 0.39 -0.30 1.29 0.00 -0.31 0.00 0.00 175.10 176.17 1i3m h ALA 305 N 1.68 -0.47 -3.12 1.32 0.00 -1.96 -3.44 119.26 113.28 1i3m h ALA 305 Ca -0.48 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.09 1i3m h ALA 305 Cb 1.19 0.18 -0.25 0.00 0.00 0.00 0.00 17.79 18.91 1i3m h ALA 305 CO 0.66 -0.62 -0.46 0.00 0.00 0.00 0.00 179.25 178.84 1i3m s ALA 306 N -5.02 -0.52 -0.14 0.00 0.00 -1.26 -1.19 121.76 113.63 1i3m s ALA 306 Ca -0.14 0.51 -0.09 0.00 0.00 0.00 0.00 51.96 52.24 1i3m s ALA 306 Cb 0.02 -0.28 0.05 0.00 0.00 0.00 0.00 23.12 22.91 1i3m s ALA 306 CO 0.55 -0.12 0.35 0.00 0.00 0.00 0.00 175.76 176.54 1i3m s TYR 308 N 1.06 -0.62 0.51 0.00 -0.85 -1.26 -2.21 117.35 113.99 1i3m s TYR 308 Ca -0.07 1.00 -0.03 0.00 -0.52 0.00 0.00 57.07 57.44 1i3m s TYR 308 Cb -0.07 0.43 -0.00 0.00 0.38 0.00 0.00 41.96 42.69 1i3m s TYR 308 CO -0.08 -0.62 0.78 0.00 -1.52 0.00 0.00 175.55 174.11 1i3m s ALA 309 N -1.50 3.51 -0.37 9.51 0.00 -1.26 -0.95 121.76 130.70 1i3m s ALA 309 Ca -0.09 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 51.00 1i3m s ALA 309 Cb -0.00 -2.40 0.08 0.00 0.00 0.00 0.00 23.12 20.80 1i3m s ALA 309 CO 0.07 -0.55 0.15 1.21 0.00 0.00 0.00 175.76 176.63 1i3m s ASN 310 N -4.24 5.25 -0.04 0.00 3.84 -0.57 -4.06 114.94 115.12 1i3m s ASN 310 Ca 0.50 -1.60 0.12 0.00 0.21 0.00 0.00 52.86 52.09 1i3m s ASN 310 Cb -0.10 -1.84 0.41 0.00 -0.55 0.00 0.00 41.25 39.17 1i3m s ASN 310 CO 0.42 -0.44 1.30 -0.81 -2.79 0.00 0.00 177.10 174.78 1i3m n PRO 311 N 4.70 2.34 -0.10 0.43 -0.04 -1.26 -4.49 135.00 136.57 1i3m n PRO 311 Ca -0.08 -1.64 -0.07 0.00 -0.04 0.00 0.00 63.50 61.67 1i3m n PRO 311 Cb 0.43 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.48 1i3m n PRO 311 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1i3m h SER 312 N 2.49 0.81 -0.43 3.54 4.64 -1.95 -2.67 113.55 119.99 1i3m h SER 312 Ca 0.00 -0.27 0.04 0.00 -0.47 0.00 0.00 61.79 61.09 1i3m h SER 312 Cb 0.79 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.62 1i3m h SER 312 CO 0.08 0.97 0.20 0.25 -0.87 0.00 0.00 176.83 177.46 1i3m h LEU 313 N 0.72 0.27 -0.88 5.97 5.85 -1.96 0.57 115.31 125.85 1i3m h LEU 313 Ca 0.11 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1i3m h LEU 313 Cb 0.67 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1i3m h LEU 313 CO 0.05 0.20 0.31 0.00 -0.34 0.00 0.00 178.44 178.66 1i3m h ALA 314 N 1.24 1.11 -0.60 1.25 0.00 -1.83 0.48 119.26 120.92 1i3m h ALA 314 Ca 0.19 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1i3m h ALA 314 Cb 0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1i3m h ALA 314 CO -0.15 0.64 0.01 -0.56 0.00 0.00 0.00 179.25 179.19 1i3m h GLN 315 N 1.11 1.03 0.19 0.00 3.07 -0.99 -0.50 115.11 119.02 1i3m h GLN 315 Ca 0.26 -0.32 -0.01 0.00 0.09 0.00 0.00 58.65 58.67 1i3m h GLN 315 Cb 0.20 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 27.66 1i3m h GLN 315 CO -0.02 1.00 -0.09 0.93 0.09 0.00 0.00 178.83 180.74 1i3m h GLU 316 N 0.95 -0.25 0.21 0.06 5.08 -0.38 -3.03 114.58 117.21 1i3m h GLU 316 Ca 0.17 0.02 -0.35 0.00 -1.00 0.00 0.00 59.36 58.20 1i3m h GLU 316 Cb 0.53 0.06 0.02 0.00 0.50 0.00 0.00 28.75 29.86 1i3m h GLU 316 CO 0.03 0.15 -1.69 0.93 -1.00 0.00 0.00 179.01 177.43 1i3m h GLU 317 N -0.87 0.44 0.00 2.33 5.08 -0.13 -3.37 114.58 118.06 1i3m h GLU 317 Ca -0.03 -0.74 -0.14 0.00 -1.00 0.00 0.00 59.36 57.45 1i3m h GLU 317 Cb 0.51 0.28 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 1i3m h GLU 317 CO 0.04 1.36 -0.73 1.25 -1.00 0.00 0.00 179.01 179.93 1i3m h LEU 318 N 0.11 0.00 -0.17 1.33 5.85 -1.21 -3.47 115.31 117.75 1i3m h LEU 318 Ca -0.32 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 1i3m h LEU 318 Cb 2.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.15 1i3m h LEU 318 CO 0.20 0.67 -0.06 0.61 -0.34 0.00 0.00 178.44 179.52 1i3m n GLY 319 N 1.28 0.47 2.98 3.75 0.00 -0.82 -4.87 105.19 107.99 1i3m n GLY 319 Ca 0.00 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.45 0.46 -0.00 1.61 -0.00 -1.11 -5.03 118.94 112.42 1i3m s TRP 320 Ca 0.02 -0.23 -0.07 0.00 -0.00 0.00 0.00 56.10 55.82 1i3m s TRP 320 Cb -0.01 -0.29 0.00 0.00 -0.00 0.00 0.00 33.47 33.17 1i3m s TRP 320 CO 0.03 -0.04 0.13 -0.08 -0.00 0.00 0.00 176.95 176.98 1i3m s THR 321 N -0.58 0.08 -0.54 5.86 -1.32 -1.26 -3.08 115.64 114.79 1i3m s THR 321 Ca -0.03 -0.64 -0.28 0.00 -1.21 0.00 0.00 61.69 59.53 1i3m s THR 321 Cb -0.05 -0.40 0.02 0.00 -1.51 0.00 0.00 72.50 70.56 1i3m s THR 321 CO -0.00 -0.35 1.27 0.00 -2.21 0.00 0.00 174.62 173.33 1i3m s ALA 322 N -1.25 2.97 -0.28 11.08 0.00 -1.26 -4.87 121.76 128.15 1i3m s ALA 322 Ca -0.13 -0.66 0.24 0.00 0.00 0.00 0.00 51.96 51.41 1i3m s ALA 322 Cb -0.07 -4.03 0.51 0.00 0.00 0.00 0.00 23.12 19.53 1i3m s ALA 322 CO 0.01 -2.65 1.66 0.00 0.00 0.00 0.00 175.76 174.79 1i3m h ALA 323 N 10.05 0.96 -3.10 0.00 0.00 -1.98 -3.46 119.26 121.73 1i3m h ALA 323 Ca -0.25 -0.07 -0.59 0.00 0.00 0.00 0.00 54.91 53.99 1i3m h ALA 323 Cb 1.07 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.74 1i3m h ALA 323 CO 1.16 0.10 -0.34 -0.51 0.00 0.00 0.00 179.25 179.67 1i3m s LEU 324 N -6.27 4.22 0.85 0.00 1.43 -1.26 -5.07 118.68 112.58 1i3m s LEU 324 Ca 0.05 0.46 -0.09 0.00 -1.03 0.00 0.00 54.13 53.52 1i3m s LEU 324 Cb 0.06 -2.35 0.17 0.00 0.03 0.00 0.00 46.19 44.10 1i3m s LEU 324 CO 0.66 0.09 1.17 -0.83 0.23 0.00 0.00 176.35 177.67 1i3m s GLY 325 N 0.55 1.77 0.15 -3.19 0.00 -1.26 -4.64 107.32 100.71 1i3m s GLY 325 Ca 0.15 -1.45 -0.17 0.00 0.00 0.00 0.00 44.72 43.25 1i3m s GLY 325 CO 0.04 -0.77 1.72 -2.00 0.00 0.00 0.00 173.10 172.08 1i3m h LEU 326 N -1.13 -0.06 -0.98 0.66 5.85 -1.97 -1.59 115.31 116.09 1i3m h LEU 326 Ca -0.41 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 1i3m h LEU 326 Cb 1.25 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.35 1i3m h LEU 326 CO 0.39 0.01 0.30 0.44 -0.34 0.00 0.00 178.44 179.23 1i3m h ASP 327 N 0.14 0.94 -0.33 1.25 3.32 -1.95 -1.34 116.42 118.46 1i3m h ASP 327 Ca 0.16 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.10 1i3m h ASP 327 Cb 0.20 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1i3m h ASP 327 CO -0.24 0.83 0.19 0.03 -1.72 0.00 0.00 179.24 178.33 1i3m h ARG 328 N 1.02 0.38 -0.41 3.56 2.47 -1.85 0.35 114.38 119.89 1i3m h ARG 328 Ca 0.24 -0.02 0.03 0.00 -1.26 0.00 0.00 59.98 58.96 1i3m h ARG 328 Cb 0.17 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.37 1i3m h ARG 328 CO -0.02 0.25 0.22 0.52 0.56 0.00 0.00 179.97 181.50 1i3m h MET 329 N 0.40 0.44 -0.31 0.04 2.86 -0.90 0.71 114.93 118.17 1i3m h MET 329 Ca 0.13 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.64 1i3m h MET 329 Cb 0.01 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 1i3m h MET 329 CO -0.06 0.29 -0.21 0.00 1.06 0.00 0.00 176.91 177.99 1i3m h GLU 331 N 0.45 0.84 -0.19 0.00 5.08 -0.09 -0.12 114.58 120.54 1i3m h GLU 331 Ca 0.06 -0.20 -0.17 0.00 -1.00 0.00 0.00 59.36 58.05 1i3m h GLU 331 Cb 0.76 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1i3m h GLU 331 CO 0.06 0.80 -0.57 -0.44 -1.00 0.00 0.00 179.01 177.86 1i3m h ASP 332 N 0.79 0.65 -0.41 1.42 3.32 -0.80 -1.06 116.42 120.35 1i3m h ASP 332 Ca 0.16 -0.36 -0.09 0.00 0.02 0.00 0.00 57.03 56.77 1i3m h ASP 332 Cb 0.38 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1i3m h ASP 332 CO 0.01 1.08 -0.10 0.25 -1.72 0.00 0.00 179.24 178.76 1i3m h LEU 333 N 0.44 0.79 -0.59 1.55 5.85 -1.15 -2.55 115.31 119.66 1i3m h LEU 333 Ca 0.00 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 1i3m h LEU 333 Cb 1.12 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 1i3m h LEU 333 CO 0.11 0.97 0.23 -0.25 -0.34 0.00 0.00 178.44 179.16 1i3m h TRP 334 N 0.60 0.89 -0.55 1.25 2.91 -0.83 -1.57 115.95 118.65 1i3m h TRP 334 Ca 0.10 -0.07 0.03 0.00 1.13 0.00 0.00 58.89 60.08 1i3m h TRP 334 Cb 0.63 -0.27 -0.04 0.00 -0.51 0.00 0.00 29.16 28.97 1i3m h TRP 334 CO 0.05 0.72 0.33 -0.09 -1.03 0.00 0.00 178.44 178.42 1i3m h ARG 335 N 0.81 0.63 -0.43 2.65 2.43 -1.08 0.49 114.38 119.88 1i3m h ARG 335 Ca 0.20 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1i3m h ARG 335 Cb 0.20 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1i3m h ARG 335 CO -0.02 0.42 0.19 2.35 -1.51 0.00 0.00 179.97 181.40 1i3m h TRP 336 N 0.65 0.65 -0.37 2.20 2.91 -1.24 -0.62 115.95 120.13 1i3m h TRP 336 Ca 0.22 -0.04 -0.02 0.00 1.13 0.00 0.00 58.89 60.18 1i3m h TRP 336 Cb 0.03 -0.20 -0.02 0.00 -0.51 0.00 0.00 29.16 28.47 1i3m h TRP 336 CO -0.06 0.55 0.14 0.37 -1.03 0.00 0.00 178.44 178.41 1i3m h GLN 337 N 0.56 0.56 -0.08 2.65 5.75 -0.94 -0.87 115.11 122.74 1i3m h GLN 337 Ca 0.15 -0.11 -0.03 0.00 -0.15 0.00 0.00 58.65 58.51 1i3m h GLN 337 Cb 0.17 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 28.62 1i3m h GLN 337 CO -0.01 0.55 -0.07 -0.22 -2.65 0.00 0.00 178.83 176.42 1i3m h LYS 338 N 0.46 0.19 0.00 1.69 3.64 -0.80 -1.88 116.57 119.87 1i3m h LYS 338 Ca 0.12 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1i3m h LYS 338 Cb 0.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1i3m h LYS 338 CO -0.01 0.61 0.00 1.96 -2.27 0.00 0.00 179.45 179.74 1i3m h GLN 339 N -0.22 0.00 -2.00 1.90 4.20 -1.11 -3.32 115.11 114.56 1i3m h GLN 339 Ca 0.01 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.18 1i3m h GLN 339 Cb 0.57 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 27.96 1i3m h GLN 339 CO 0.02 0.00 -1.12 0.09 -0.67 0.00 0.00 178.83 177.15 1i3m n ASN 340 N -2.66 0.33 -0.39 1.46 3.02 -0.34 -4.96 115.26 111.72 1i3m n ASN 340 Ca 0.01 -2.76 0.37 0.00 -0.03 0.00 0.00 54.58 52.17 1i3m n ASN 340 Cb 0.25 -0.64 0.73 0.00 -0.61 0.00 0.00 39.78 39.51 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 3.80 0.05 -0.14 3.52 0.11 -1.45 0.13 132.00 138.03 1i3m h PRO 341 Ca 0.08 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.08 1i3m h PRO 341 Cb 0.90 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 31.91 1i3m h PRO 341 CO 0.47 0.03 -0.56 -1.13 -0.21 0.00 0.00 178.00 176.60 1i3m n SER 342 N -4.23 2.30 0.00 -2.05 3.41 -1.26 -5.04 113.62 106.75 1i3m n SER 342 Ca 0.29 -3.87 0.00 0.00 -0.26 0.00 0.00 58.87 55.03 1i3m n SER 342 Cb 1.33 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 1i3m n SER 342 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i3m n GLY 343 N -1.03 0.31 3.81 5.00 0.00 0.46 -4.77 105.19 108.96 1i3m n GLY 343 Ca 0.24 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 1i3m n GLY 343 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i3m s PHE 344 N 0.00 3.18 0.09 1.61 0.08 -1.26 -4.84 117.98 116.84 1i3m s PHE 344 Ca 0.00 1.59 -0.12 0.00 0.12 0.00 0.00 56.93 58.52 1i3m s PHE 344 Cb 0.00 -2.94 0.01 0.00 -0.57 0.00 0.00 43.02 39.52 1i3m s PHE 344 CO 0.00 -0.44 0.27 0.20 -0.10 0.00 0.00 175.22 175.15 1i3m s GLY 345 N -2.16 -0.06 0.66 4.36 0.00 -1.26 -5.11 107.32 103.75 1i3m s GLY 345 Ca 0.64 -0.33 -0.12 0.00 0.00 0.00 0.00 44.72 44.91 1i3m s GLY 345 CO 0.17 -0.54 1.06 -0.51 0.00 0.00 0.00 173.10 173.28 1i3m s THR 346 N -3.57 3.93 0.62 0.90 -4.23 -1.26 -4.92 115.64 107.11 1i3m s THR 346 Ca 0.02 0.72 -0.19 0.00 -1.18 0.00 0.00 61.69 61.06 1i3m s THR 346 Cb 0.03 -3.37 -0.02 0.00 1.34 0.00 0.00 72.50 70.47 1i3m s THR 346 CO -0.10 -0.73 1.29 0.00 -0.54 0.00 0.00 174.62 174.54 1i3m n GLN 347 N -2.78 1.24 0.00 3.99 6.02 -1.26 -4.97 117.38 119.63 1i3m n GLN 347 Ca 0.08 0.48 0.15 0.00 -0.01 0.00 0.00 57.00 57.70 1i3m n GLN 347 Cb 0.53 -2.52 0.76 0.00 1.02 0.00 0.00 30.24 30.03 1i3m n GLN 347 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05