#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aia n PHE 6 N 0.00 0.00 -0.30 1.12 3.72 -1.26 -4.67 117.46 116.07 1aia n PHE 6 Ca 0.00 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.58 1aia n PHE 6 Cb 0.00 0.00 0.44 0.00 -0.94 0.00 0.00 39.48 38.98 1aia n PHE 6 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1aia h GLU 7 N 2.36 0.53 -0.12 -1.08 3.07 -2.12 -2.68 114.58 114.54 1aia h GLU 7 Ca 0.00 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.80 1aia h GLU 7 Cb 0.66 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 1aia h GLU 7 CO 0.00 0.35 -0.08 -1.71 -1.40 0.00 0.00 179.01 176.17 1aia n ASN 8 N -4.63 2.71 -4.71 1.42 2.85 -1.26 -4.97 115.26 106.67 1aia n ASN 8 Ca 0.22 -3.28 -0.42 0.00 -0.11 0.00 0.00 54.58 50.99 1aia n ASN 8 Cb 0.69 -0.50 -0.03 0.00 1.24 0.00 0.00 39.78 41.18 1aia n ASN 8 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1aia s ILE 9 N -2.97 4.19 0.44 -1.44 1.01 -1.01 -5.02 121.20 116.40 1aia s ILE 9 Ca 0.37 1.56 -0.10 0.00 0.00 0.00 0.00 60.65 62.49 1aia s ILE 9 Cb 0.33 -4.00 -0.06 0.00 0.01 0.00 0.00 42.46 38.74 1aia s ILE 9 CO 0.03 0.10 0.81 0.42 0.00 0.00 0.00 174.94 176.29 1aia s THR 10 N 1.27 4.79 -0.09 2.92 -4.23 -1.26 -5.02 115.64 114.02 1aia s THR 10 Ca 0.57 0.58 0.16 0.00 -1.18 0.00 0.00 61.69 61.82 1aia s THR 10 Cb -0.27 -3.77 0.16 0.00 1.34 0.00 0.00 72.50 69.95 1aia s THR 10 CO 0.28 -0.65 1.41 0.00 -0.54 0.00 0.00 174.62 175.11 1aia n ALA 11 N -1.64 0.78 -1.91 3.99 0.00 -1.26 -5.01 120.51 115.46 1aia n ALA 11 Ca 0.02 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1aia n ALA 11 Cb 0.54 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1aia n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aia n ALA 12 N -1.63 -2.12 -1.14 0.00 0.00 -1.26 -4.96 120.51 109.40 1aia n ALA 12 Ca -0.01 0.44 -0.31 0.00 0.00 0.00 0.00 53.44 53.56 1aia n ALA 12 Cb 0.21 -1.38 0.11 0.00 0.00 0.00 0.00 19.45 18.39 1aia n ALA 12 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1aia s PRO 13 N -1.06 1.97 0.23 0.00 0.04 -1.26 -4.97 135.00 129.95 1aia s PRO 13 Ca 0.00 1.34 -0.31 0.00 0.04 0.00 0.00 61.00 62.07 1aia s PRO 13 Cb 0.00 -1.85 -0.11 0.00 0.04 0.00 0.00 34.50 32.58 1aia s PRO 13 CO 0.00 -1.89 1.60 0.00 0.04 0.00 0.00 177.00 176.75 1aia s ALA 14 N -2.71 3.79 0.01 8.56 0.00 -1.26 -4.96 121.76 125.18 1aia s ALA 14 Ca 0.64 1.49 -0.30 0.00 0.00 0.00 0.00 51.96 53.79 1aia s ALA 14 Cb -0.20 -3.64 -0.05 0.00 0.00 0.00 0.00 23.12 19.23 1aia s ALA 14 CO 0.54 -0.88 1.30 0.34 0.00 0.00 0.00 175.76 177.06 1aia s ASP 15 N 0.82 6.96 0.62 0.00 -1.08 -1.26 -4.91 116.67 117.81 1aia s ASP 15 Ca 0.67 2.02 0.28 0.00 -0.52 0.00 0.00 52.55 55.00 1aia s ASP 15 Cb -0.46 -2.57 1.44 0.00 -1.46 0.00 0.00 42.92 39.87 1aia s ASP 15 CO 0.39 -0.62 1.84 1.55 0.52 0.00 0.00 175.17 178.85 1aia h PRO 16 N 7.41 0.00 0.00 4.34 0.13 -1.99 0.75 132.00 142.64 1aia h PRO 16 Ca -0.38 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.36 1aia h PRO 16 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 1aia h PRO 16 CO 0.87 0.00 -2.33 -0.89 -0.23 0.00 0.00 178.00 175.42 1aia n ILE 17 N -3.40 1.32 -0.16 -3.56 2.08 -1.26 -4.59 119.36 109.78 1aia n ILE 17 Ca 0.06 -0.38 -0.11 0.00 0.56 0.00 0.00 62.75 62.88 1aia n ILE 17 Cb 0.64 -1.68 -0.00 0.00 -0.75 0.00 0.00 39.64 37.84 1aia n ILE 17 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1aia h LEU 18 N -0.62 0.88 -1.98 1.39 4.07 -1.87 -3.13 115.31 114.05 1aia h LEU 18 Ca -0.58 -0.35 0.02 0.00 0.08 0.00 0.00 57.88 57.04 1aia h LEU 18 Cb 1.61 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 43.10 1aia h LEU 18 CO -0.29 1.02 0.06 1.23 -1.08 0.00 0.00 178.44 179.38 1aia h GLY 19 N 0.72 0.03 2.00 0.83 0.00 -1.14 -2.63 103.07 102.88 1aia h GLY 19 Ca 0.12 -0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.35 1aia h GLY 19 CO 0.04 0.01 -0.42 -2.00 0.00 0.00 0.00 176.54 174.17 1aia h LEU 20 N 0.03 0.00 -0.80 3.11 7.12 -1.75 -3.17 115.31 119.86 1aia h LEU 20 Ca 0.04 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 58.00 1aia h LEU 20 Cb 0.11 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.21 1aia h LEU 20 CO -0.00 0.42 0.33 0.00 -0.13 0.00 0.00 178.44 179.06 1aia h ALA 21 N 1.58 1.04 -0.10 1.25 0.00 -1.60 -1.79 119.26 119.64 1aia h ALA 21 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1aia h ALA 21 Cb 0.75 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1aia h ALA 21 CO 0.05 0.66 0.04 -0.44 0.00 0.00 0.00 179.25 179.56 1aia h ASP 22 N 1.16 0.14 -1.00 0.00 3.32 -1.68 -1.06 116.42 117.31 1aia h ASP 22 Ca 0.27 -0.17 0.20 0.00 0.02 0.00 0.00 57.03 57.34 1aia h ASP 22 Cb 0.21 -0.04 -0.11 0.00 0.22 0.00 0.00 39.33 39.61 1aia h ASP 22 CO -0.02 0.28 0.60 0.25 -1.72 0.00 0.00 179.24 178.62 1aia h LEU 23 N 0.00 0.76 0.42 1.55 6.46 -1.53 -0.30 115.31 122.68 1aia h LEU 23 Ca 0.03 0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.88 1aia h LEU 23 Cb 0.18 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.08 1aia h LEU 23 CO -0.00 0.25 -0.20 0.15 -0.62 0.00 0.00 178.44 178.02 1aia h PHE 24 N 0.74 -0.53 -0.07 1.25 3.57 -1.06 -2.99 116.94 117.84 1aia h PHE 24 Ca 0.58 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 62.11 1aia h PHE 24 Cb 0.93 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.79 1aia h PHE 24 CO -0.01 -0.21 -0.25 -0.09 -2.23 0.00 0.00 178.31 175.52 1aia h ARG 25 N -0.98 -0.34 0.00 1.11 2.43 -0.76 -1.51 114.38 114.33 1aia h ARG 25 Ca -0.06 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1aia h ARG 25 Cb 0.56 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1aia h ARG 25 CO 0.10 -0.23 0.00 0.00 -1.51 0.00 0.00 179.97 178.33 1aia n ALA 26 N -2.70 2.00 0.00 2.80 0.00 -0.16 -3.14 120.51 119.31 1aia n ALA 26 Ca -0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.30 1aia n ALA 26 Cb 0.29 -1.12 -0.12 0.00 0.00 0.00 0.00 19.45 18.50 1aia n ALA 26 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1aia h ASP 27 N 0.00 0.00 -6.25 0.00 1.82 -1.11 -3.48 116.42 107.40 1aia h ASP 27 Ca 0.00 0.00 -0.41 0.00 -0.39 0.00 0.00 57.03 56.23 1aia h ASP 27 Cb 0.00 0.00 -0.16 0.00 0.68 0.00 0.00 39.33 39.85 1aia h ASP 27 CO 0.00 0.84 -0.63 -1.84 -1.61 0.00 0.00 179.24 176.00 1aia n GLU 28 N -3.01 -0.93 -3.42 0.28 0.28 -1.19 -4.98 120.64 107.68 1aia n GLU 28 Ca -0.13 0.07 -0.36 0.00 -0.16 0.00 0.00 57.16 56.58 1aia n GLU 28 Cb 0.97 -2.48 -0.06 0.00 1.43 0.00 0.00 31.44 31.30 1aia n GLU 28 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1aia s ARG 29 N -5.71 3.94 0.00 3.44 6.06 -1.26 -5.09 118.95 120.32 1aia s ARG 29 Ca 0.11 0.43 0.00 0.00 -2.50 0.00 0.00 55.73 53.77 1aia s ARG 29 Cb -0.06 -3.03 0.00 0.00 0.06 0.00 0.00 34.95 31.92 1aia s ARG 29 CO 0.66 0.55 0.00 -2.30 -2.50 0.00 0.00 175.30 171.71 1aia n PRO 30 N 1.08 0.00 -0.46 5.12 -0.02 -1.26 -4.16 135.00 135.30 1aia n PRO 30 Ca -0.08 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.35 1aia n PRO 30 Cb 0.52 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 34.02 1aia n PRO 30 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aia n GLY 31 N 0.00 2.81 3.66 -1.23 0.00 -1.26 -4.97 105.19 104.20 1aia n GLY 31 Ca 0.00 -0.31 -0.44 0.00 0.00 0.00 0.00 46.02 45.27 1aia n GLY 31 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1aia n LYS 32 N 0.71 1.85 -5.25 1.61 2.85 -1.26 -4.80 118.16 113.87 1aia n LYS 32 Ca 0.11 0.65 -0.32 0.00 -1.05 0.00 0.00 58.31 57.70 1aia n LYS 32 Cb 0.60 -2.18 -0.17 0.00 -0.65 0.00 0.00 35.03 32.64 1aia n LYS 32 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1aia s ILE 33 N -0.92 2.05 -0.35 0.58 1.01 -0.93 -4.97 121.20 117.67 1aia s ILE 33 Ca 0.59 -1.05 -0.04 0.00 0.00 0.00 0.00 60.65 60.15 1aia s ILE 33 Cb -0.63 -1.74 0.06 0.00 0.01 0.00 0.00 42.46 40.16 1aia s ILE 33 CO 0.60 0.57 0.10 0.21 0.00 0.00 0.00 174.94 176.41 1aia s ASN 34 N -0.02 5.16 0.00 3.58 2.47 -1.26 -0.88 114.94 123.98 1aia s ASN 34 Ca -0.08 -1.44 0.22 0.00 0.42 0.00 0.00 52.86 51.99 1aia s ASN 34 Cb -0.15 -1.81 0.58 0.00 -1.45 0.00 0.00 41.25 38.43 1aia s ASN 34 CO 0.05 -0.37 1.49 0.18 -3.72 0.00 0.00 177.10 174.74 1aia n LEU 35 N 4.69 3.81 -0.38 3.21 4.77 0.11 -4.34 117.00 128.87 1aia n LEU 35 Ca -0.10 -1.87 0.14 0.00 -0.03 0.00 0.00 56.01 54.15 1aia n LEU 35 Cb 0.43 -0.42 0.57 0.00 -2.33 0.00 0.00 43.42 41.67 1aia n LEU 35 CO 0.30 0.92 0.88 0.61 -1.33 0.00 0.00 177.39 178.78 1aia n GLY 36 N 1.58 -0.23 3.76 -0.72 0.00 -0.95 -1.39 105.19 107.24 1aia n GLY 36 Ca 0.23 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1aia n GLY 36 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1aia s ILE 37 N -2.06 3.06 -0.25 -0.61 -4.36 -1.26 -4.85 121.20 110.87 1aia s ILE 37 Ca 0.38 0.49 0.10 0.00 -0.26 0.00 0.00 60.65 61.36 1aia s ILE 37 Cb 0.21 -3.01 0.46 0.00 1.25 0.00 0.00 42.46 41.37 1aia s ILE 37 CO 0.36 -0.31 1.34 0.61 0.24 0.00 0.00 174.94 177.18 1aia n GLY 38 N -0.37 5.00 3.07 6.27 0.00 -1.26 -4.71 105.19 113.19 1aia n GLY 38 Ca 0.11 -1.26 -0.12 0.00 0.00 0.00 0.00 46.02 44.75 1aia n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aia s VAL 39 N -3.22 0.52 0.46 1.61 0.11 -1.26 -5.10 120.40 113.52 1aia s VAL 39 Ca 0.41 -1.21 -0.23 0.00 -2.93 0.00 0.00 61.98 58.03 1aia s VAL 39 Cb 0.38 -0.76 -0.08 0.00 -1.53 0.00 0.00 36.38 34.40 1aia s VAL 39 CO -0.03 -0.48 1.13 -0.47 -3.33 0.00 0.00 175.10 171.92 1aia s TYR 40 N -1.77 2.94 0.01 1.54 5.04 -1.26 -4.84 117.35 119.02 1aia s TYR 40 Ca -0.07 1.56 0.01 0.00 -2.44 0.00 0.00 57.07 56.13 1aia s TYR 40 Cb -0.07 -3.30 -0.01 0.00 0.35 0.00 0.00 41.96 38.93 1aia s TYR 40 CO -0.01 -1.29 -0.03 0.21 -1.34 0.00 0.00 175.55 173.10 1aia s LYS 41 N -2.76 0.27 0.30 4.97 2.36 -1.25 -4.49 119.74 119.13 1aia s LYS 41 Ca 0.64 -0.31 0.02 0.00 -2.55 0.00 0.00 55.97 53.76 1aia s LYS 41 Cb -0.26 -0.13 0.05 0.00 -1.05 0.00 0.00 37.83 36.45 1aia s LYS 41 CO 0.31 0.03 0.41 -0.40 1.55 0.00 0.00 175.35 177.24 1aia n ASP 42 N 2.44 0.77 -0.19 1.43 5.68 0.10 -4.79 116.55 121.99 1aia n ASP 42 Ca -0.17 -1.60 0.30 0.00 -0.50 0.00 0.00 54.79 52.82 1aia n ASP 42 Cb 0.58 -0.24 0.73 0.00 -1.14 0.00 0.00 41.12 41.04 1aia n ASP 42 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1aia h GLU 43 N 0.00 0.00 -0.01 0.11 4.81 -1.91 -0.70 114.58 116.88 1aia h GLU 43 Ca -0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1aia h GLU 43 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1aia h GLU 43 CO 0.17 0.00 -0.38 0.25 -0.73 0.00 0.00 179.01 178.31 1aia n THR 44 N -4.17 0.00 -0.08 0.32 -2.24 -1.26 -4.80 114.28 102.05 1aia n THR 44 Ca 0.19 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1aia n THR 44 Cb 1.02 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 1aia n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aia n GLY 45 N 1.40 0.95 3.39 3.38 0.00 -0.27 -5.07 105.19 108.97 1aia n GLY 45 Ca 0.10 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 1aia n GLY 45 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aia s LYS 46 N -0.36 1.50 -0.84 1.61 -2.85 -1.26 -4.77 119.74 112.78 1aia s LYS 46 Ca 0.00 -1.80 -0.01 0.00 -1.00 0.00 0.00 55.97 53.16 1aia s LYS 46 Cb 0.00 -0.74 0.21 0.00 -2.06 0.00 0.00 37.83 35.24 1aia s LYS 46 CO 0.00 -0.15 0.71 0.99 0.10 0.00 0.00 175.35 177.00 1aia s THR 47 N -3.37 4.10 0.81 3.79 2.01 -1.26 0.01 115.64 121.74 1aia s THR 47 Ca 0.33 -3.82 -0.11 0.00 0.31 0.00 0.00 61.69 58.40 1aia s THR 47 Cb 0.07 -3.57 0.08 0.00 0.01 0.00 0.00 72.50 69.09 1aia s THR 47 CO 0.13 -1.05 1.09 -2.84 -0.69 0.00 0.00 174.62 171.25 1aia s PRO 48 N -1.22 1.97 -0.10 4.92 0.02 -1.26 -5.01 135.00 134.31 1aia s PRO 48 Ca 0.26 0.85 -0.27 0.00 0.02 0.00 0.00 61.00 61.86 1aia s PRO 48 Cb -0.08 -1.89 -0.02 0.00 0.02 0.00 0.00 34.50 32.53 1aia s PRO 48 CO -0.12 -1.75 0.88 0.08 -0.33 0.00 0.00 177.00 175.76 1aia s VAL 49 N -3.02 4.88 0.58 3.83 1.01 -1.26 -4.93 120.40 121.49 1aia s VAL 49 Ca 0.61 1.79 -0.19 0.00 0.00 0.00 0.00 61.98 64.19 1aia s VAL 49 Cb -0.16 -4.20 -0.06 0.00 0.00 0.00 0.00 36.38 31.96 1aia s VAL 49 CO 0.56 0.08 0.82 0.18 0.00 0.00 0.00 175.10 176.74 1aia n LEU 50 N 4.69 2.65 -0.03 3.92 4.32 -1.26 -4.84 117.00 126.45 1aia n LEU 50 Ca 0.05 0.79 -0.11 0.00 -0.02 0.00 0.00 56.01 56.72 1aia n LEU 50 Cb 0.50 -1.31 0.02 0.00 -1.62 0.00 0.00 43.42 41.01 1aia n LEU 50 CO 0.50 -2.25 0.48 0.74 -1.22 0.00 0.00 177.39 175.64 1aia h THR 51 N 0.45 1.30 -0.65 -5.08 2.02 -1.97 -2.15 112.91 106.84 1aia h THR 51 Ca -0.47 -1.74 -0.01 0.00 0.77 0.00 0.00 66.41 64.96 1aia h THR 51 Cb 1.38 1.68 -0.03 0.00 -1.74 0.00 0.00 68.15 69.44 1aia h THR 51 CO 0.50 0.55 0.38 0.77 0.37 0.00 0.00 175.52 178.09 1aia h SER 52 N 0.53 0.77 -0.01 4.18 4.64 -1.91 -1.44 113.55 120.32 1aia h SER 52 Ca 0.02 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1aia h SER 52 Cb 1.09 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1aia h SER 52 CO 0.11 0.60 -0.00 0.58 -0.87 0.00 0.00 176.83 177.25 1aia h VAL 53 N 0.89 1.35 -0.37 0.95 2.07 -1.89 -0.38 116.25 118.87 1aia h VAL 53 Ca 0.23 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1aia h VAL 53 Cb -0.02 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1aia h VAL 53 CO -0.04 0.27 0.23 0.50 0.02 0.00 0.00 177.57 178.55 1aia h LYS 54 N -0.42 0.48 -0.17 1.57 1.63 -1.07 -0.57 116.57 118.02 1aia h LYS 54 Ca 0.00 -0.03 -0.17 0.00 -0.85 0.00 0.00 60.65 59.60 1aia h LYS 54 Cb 0.44 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 31.96 1aia h LYS 54 CO 0.00 0.33 -0.58 0.87 -3.45 0.00 0.00 179.45 176.61 1aia h LYS 55 N 0.50 0.56 -0.02 1.90 1.57 -1.11 -2.36 116.57 117.60 1aia h LYS 55 Ca 0.13 -0.37 -0.17 0.00 -1.87 0.00 0.00 60.65 58.38 1aia h LYS 55 Cb -0.04 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1aia h LYS 55 CO -0.03 0.98 -0.74 0.00 -0.57 0.00 0.00 179.45 179.10 1aia h ALA 56 N 0.94 0.72 0.00 3.86 0.00 -0.06 -2.68 119.26 122.04 1aia h ALA 56 Ca 0.00 -0.64 -0.07 0.00 0.00 0.00 0.00 54.91 54.20 1aia h ALA 56 Cb 1.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1aia h ALA 56 CO 0.11 0.84 -0.34 0.93 0.00 0.00 0.00 179.25 180.80 1aia h GLU 57 N 0.10 0.00 -0.17 0.00 5.08 -0.93 -1.90 114.58 116.76 1aia h GLU 57 Ca -0.02 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 1aia h GLU 57 Cb 1.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 1aia h GLU 57 CO 0.11 0.34 -0.29 0.37 -1.00 0.00 0.00 179.01 178.54 1aia h GLN 58 N 0.00 0.50 -0.06 2.33 5.75 -1.31 -1.66 115.11 120.66 1aia h GLN 58 Ca -0.00 -0.31 0.04 0.00 -0.15 0.00 0.00 58.65 58.23 1aia h GLN 58 Cb 0.74 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.28 1aia h GLN 58 CO 0.04 0.91 -0.19 -0.92 -2.65 0.00 0.00 178.83 176.02 1aia h TYR 59 N 0.14 -0.50 -0.80 3.99 3.20 -1.19 -2.14 116.97 119.67 1aia h TYR 59 Ca 0.01 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 1aia h TYR 59 Cb 0.87 0.23 -0.04 0.00 1.54 0.00 0.00 36.73 39.33 1aia h TYR 59 CO 0.09 -0.27 0.42 -0.07 -1.64 0.00 0.00 178.16 176.70 1aia h LEU 60 N -0.28 1.01 -0.79 2.82 3.38 -1.32 -0.74 115.31 119.40 1aia h LEU 60 Ca 0.08 -0.11 0.11 0.00 0.09 0.00 0.00 57.88 58.05 1aia h LEU 60 Cb 0.38 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.80 1aia h LEU 60 CO -0.22 0.83 0.41 0.25 0.09 0.00 0.00 178.44 179.80 1aia h LEU 61 N 1.12 0.54 0.00 1.67 6.46 -0.95 -0.77 115.31 123.38 1aia h LEU 61 Ca 0.28 0.07 -0.13 0.00 -0.12 0.00 0.00 57.88 57.98 1aia h LEU 61 Cb 0.06 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 39.94 1aia h LEU 61 CO -0.04 0.29 -0.64 -0.33 -0.62 0.00 0.00 178.44 177.10 1aia h GLU 62 N 0.66 0.00 0.00 1.25 5.08 -0.96 -3.38 114.58 117.24 1aia h GLU 62 Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1aia h GLU 62 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1aia h GLU 62 CO -0.29 0.60 -1.45 0.09 -1.00 0.00 0.00 179.01 176.95 1aia n ASN 63 N -3.24 1.54 -4.69 1.42 4.13 -0.32 -4.98 115.26 109.13 1aia n ASN 63 Ca 0.01 -0.16 -0.42 0.00 1.68 0.00 0.00 54.58 55.69 1aia n ASN 63 Cb 0.78 1.52 -0.03 0.00 -1.54 0.00 0.00 39.78 40.51 1aia n ASN 63 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1aia s GLU 64 N -2.85 4.26 -0.00 3.52 2.02 -0.35 -4.88 118.70 120.42 1aia s GLU 64 Ca -0.03 2.03 0.17 0.00 0.02 0.00 0.00 54.97 57.16 1aia s GLU 64 Cb 0.09 -3.62 -0.20 0.00 0.10 0.00 0.00 34.13 30.51 1aia s GLU 64 CO 0.58 -0.63 0.72 0.25 0.02 0.00 0.00 175.26 176.21 1aia n THR 66 N 4.76 0.00 -3.53 3.63 -2.24 -1.26 -5.00 114.28 110.64 1aia n THR 66 Ca 0.14 -0.11 -0.13 0.00 -2.27 0.00 0.00 64.05 61.69 1aia n THR 66 Cb 0.43 0.95 -0.04 0.00 -2.10 0.00 0.00 70.33 69.57 1aia n THR 66 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1aia s THR 67 N -2.69 0.03 -0.27 4.28 -1.32 -1.26 -5.02 115.64 109.39 1aia s THR 67 Ca 0.06 -0.23 0.09 0.00 -1.21 0.00 0.00 61.69 60.40 1aia s THR 67 Cb 0.13 -1.03 0.47 0.00 -1.51 0.00 0.00 72.50 70.56 1aia s THR 67 CO 0.72 -0.13 1.37 0.29 -2.21 0.00 0.00 174.62 174.67 1aia n LYS 68 N 0.02 1.85 -2.06 7.08 5.02 -1.26 -5.06 118.16 123.75 1aia n LYS 68 Ca -0.17 -3.30 -0.38 0.00 -2.02 0.00 0.00 58.31 52.44 1aia n LYS 68 Cb 0.62 -1.78 0.01 0.00 -0.02 0.00 0.00 35.03 33.86 1aia n LYS 68 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1aia s ASN 69 N -2.85 5.99 0.33 4.39 2.47 -1.26 -4.88 114.94 119.14 1aia s ASN 69 Ca 0.43 2.55 -0.25 0.00 0.42 0.00 0.00 52.86 56.01 1aia s ASN 69 Cb 0.40 -2.62 -0.14 0.00 -1.45 0.00 0.00 41.25 37.43 1aia s ASN 69 CO -0.03 -1.06 0.72 -1.22 -3.72 0.00 0.00 177.10 171.79 1aia n TYR 70 N -0.40 0.19 -1.81 0.43 4.01 -1.26 -5.00 117.16 113.33 1aia n TYR 70 Ca 0.07 0.70 -0.31 0.00 -0.16 0.00 0.00 57.90 58.20 1aia n TYR 70 Cb 0.46 -2.09 0.02 0.00 -0.31 0.00 0.00 39.34 37.42 1aia n TYR 70 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1aia s LEU 71 N 1.43 3.20 0.95 7.72 1.43 -1.26 -5.07 118.68 127.08 1aia s LEU 71 Ca 0.62 1.45 -0.11 0.00 -1.03 0.00 0.00 54.13 55.06 1aia s LEU 71 Cb -0.69 -4.46 0.16 0.00 0.03 0.00 0.00 46.19 41.23 1aia s LEU 71 CO 0.58 -1.01 1.11 -0.83 0.23 0.00 0.00 176.35 176.43 1aia s GLY 72 N -4.10 1.65 0.54 -3.19 0.00 -1.26 -4.80 107.32 96.15 1aia s GLY 72 Ca 0.56 0.31 0.23 0.00 0.00 0.00 0.00 44.72 45.81 1aia s GLY 72 CO 0.54 0.79 2.08 -2.22 0.00 0.00 0.00 173.10 174.29 1aia h ILE 73 N -1.91 0.77 -0.16 0.90 2.04 -1.97 -0.71 117.51 116.47 1aia h ILE 73 Ca -0.48 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1aia h ILE 73 Cb 1.28 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1aia h ILE 73 CO 0.46 0.00 0.00 -0.90 0.00 0.00 0.00 178.15 177.71 1aia n ASP 74 N -4.31 2.72 0.00 1.72 5.75 -1.26 -4.35 116.55 116.81 1aia n ASP 74 Ca 0.03 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 1aia n ASP 74 Cb 0.36 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 1aia n ASP 74 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1aia n GLY 75 N 1.34 -0.37 3.66 6.12 0.00 -0.27 -0.58 105.19 115.10 1aia n GLY 75 Ca 0.17 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 1aia n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aia s ILE 76 N 0.00 4.80 0.21 -0.61 1.01 -1.26 -4.25 121.20 121.09 1aia s ILE 76 Ca 0.00 1.77 -0.10 0.00 0.00 0.00 0.00 60.65 62.32 1aia s ILE 76 Cb 0.00 -4.20 0.19 0.00 0.01 0.00 0.00 42.46 38.46 1aia s ILE 76 CO 0.00 -0.07 1.67 -0.65 0.00 0.00 0.00 174.94 175.90 1aia h PRO 77 N 7.45 0.15 0.00 2.79 0.11 -1.97 -2.30 132.00 138.22 1aia h PRO 77 Ca -0.25 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.78 1aia h PRO 77 Cb 1.10 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1aia h PRO 77 CO 0.89 0.10 -0.35 0.93 -0.21 0.00 0.00 178.00 179.36 1aia h GLU 78 N 0.15 0.00 -0.16 1.05 3.07 -1.99 -0.04 114.58 116.67 1aia h GLU 78 Ca 0.32 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 59.20 1aia h GLU 78 Cb 0.51 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.40 1aia h GLU 78 CO -0.49 0.35 0.02 0.35 -1.40 0.00 0.00 179.01 177.84 1aia h PHE 79 N 0.00 0.04 -0.69 4.33 3.57 -1.78 -1.47 116.94 120.94 1aia h PHE 79 Ca -0.00 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 1aia h PHE 79 Cb 1.05 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.77 1aia h PHE 79 CO 0.00 0.01 0.13 0.78 -2.23 0.00 0.00 178.31 177.00 1aia h GLY 80 N 0.09 1.22 0.96 2.40 0.00 -0.82 -1.50 103.07 105.41 1aia h GLY 80 Ca 0.07 -0.79 -0.02 0.00 0.00 0.00 0.00 47.33 46.59 1aia h GLY 80 CO -0.10 0.74 0.20 3.21 0.00 0.00 0.00 176.54 180.58 1aia h ARG 81 N 1.06 0.62 -0.20 4.80 3.08 -0.94 -2.31 114.38 120.49 1aia h ARG 81 Ca 0.21 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 1aia h ARG 81 Cb 0.42 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1aia h ARG 81 CO 0.01 0.54 -0.21 0.00 -1.07 0.00 0.00 179.97 179.25 1aia h THR 83 N 0.32 0.55 -0.29 0.00 1.35 -1.10 -2.18 112.91 111.56 1aia h THR 83 Ca 0.06 -1.82 -0.06 0.00 -0.55 0.00 0.00 66.41 64.04 1aia h THR 83 Cb 0.55 2.21 -0.01 0.00 -1.73 0.00 0.00 68.15 69.17 1aia h THR 83 CO 0.04 0.31 -0.07 1.56 -0.25 0.00 0.00 175.52 177.11 1aia h GLN 84 N 0.00 0.57 -0.65 4.72 4.20 -0.79 -0.81 115.11 122.34 1aia h GLN 84 Ca -0.02 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.43 1aia h GLN 84 Cb 1.29 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 29.01 1aia h GLN 84 CO 0.04 0.76 0.22 0.93 -0.67 0.00 0.00 178.83 180.12 1aia h GLU 85 N 0.33 0.98 -0.42 1.46 5.08 -1.34 -0.24 114.58 120.44 1aia h GLU 85 Ca 0.08 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 1aia h GLU 85 Cb 0.55 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1aia h GLU 85 CO 0.03 0.83 -0.02 1.25 -1.00 0.00 0.00 179.01 180.09 1aia h LEU 86 N 0.96 0.74 0.04 1.33 5.85 -1.16 0.12 115.31 123.20 1aia h LEU 86 Ca 0.22 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1aia h LEU 86 Cb 0.24 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1aia h LEU 86 CO -0.01 0.88 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.88 1aia h LEU 87 N 0.58 -0.05 -1.08 2.25 4.07 -0.97 -3.37 115.31 116.74 1aia h LEU 87 Ca 0.11 -0.56 0.00 0.00 0.08 0.00 0.00 57.88 57.52 1aia h LEU 87 Cb 0.52 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.27 1aia h LEU 87 CO 0.03 0.56 -0.34 0.49 -1.08 0.00 0.00 178.44 178.09 1aia n PHE 88 N -4.82 0.00 0.00 1.13 3.72 -0.12 -4.76 117.46 112.61 1aia n PHE 88 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1aia n PHE 88 Cb 0.30 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 1aia n PHE 88 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aia n GLY 89 N 1.27 -1.01 0.37 1.37 0.00 0.43 -4.35 105.19 103.27 1aia n GLY 89 Ca 0.09 -1.40 0.10 0.00 0.00 0.00 0.00 46.02 44.80 1aia n GLY 89 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1aia h LYS 90 N 0.00 0.80 -0.64 1.61 3.64 -1.91 -2.14 116.57 117.92 1aia h LYS 90 Ca 0.00 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.18 1aia h LYS 90 Cb 0.00 -0.18 -0.09 0.00 -0.41 0.00 0.00 32.23 31.55 1aia h LYS 90 CO 0.00 0.53 0.18 0.41 -2.27 0.00 0.00 179.45 178.30 1aia n GLY 91 N -1.39 3.65 3.73 5.01 0.00 -1.26 -4.99 105.19 109.95 1aia n GLY 91 Ca 0.18 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 1aia n GLY 91 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1aia n SER 92 N -0.10 3.52 0.23 1.61 2.88 -0.81 -4.88 113.62 116.07 1aia n SER 92 Ca 0.36 1.17 0.07 0.00 -1.33 0.00 0.00 58.87 59.15 1aia n SER 92 Cb 1.29 -1.56 0.61 0.00 -0.75 0.00 0.00 64.21 63.80 1aia n SER 92 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1aia h ALA 93 N 3.98 1.95 -0.20 -1.46 0.00 -1.92 -1.60 119.26 120.02 1aia h ALA 93 Ca -0.47 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1aia h ALA 93 Cb 1.24 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1aia h ALA 93 CO 0.73 0.04 0.03 -0.07 0.00 0.00 0.00 179.25 179.98 1aia h LEU 94 N 0.06 0.25 0.18 0.00 4.07 -1.94 0.79 115.31 118.72 1aia h LEU 94 Ca 0.02 -0.02 -0.31 0.00 0.08 0.00 0.00 57.88 57.64 1aia h LEU 94 Cb 0.01 -0.06 0.02 0.00 1.08 0.00 0.00 40.66 41.70 1aia h LEU 94 CO -0.00 0.27 -1.50 0.40 -1.08 0.00 0.00 178.44 176.53 1aia h ILE 95 N 0.27 1.11 -0.09 1.22 2.04 -1.68 -1.36 117.51 119.02 1aia h ILE 95 Ca 0.07 -2.53 -0.11 0.00 1.00 0.00 0.00 64.86 63.29 1aia h ILE 95 Cb 0.13 2.87 -0.01 0.00 -0.74 0.00 0.00 36.82 39.08 1aia h ILE 95 CO -0.00 0.80 -0.43 0.78 0.00 0.00 0.00 178.15 179.29 1aia h ASN 96 N -0.04 0.21 -0.15 1.72 -0.26 -1.09 -2.48 115.58 113.48 1aia h ASN 96 Ca -0.29 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.36 1aia h ASN 96 Cb 1.98 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 39.19 1aia h ASN 96 CO 0.17 0.62 0.00 0.47 -1.06 0.00 0.00 177.43 177.63 1aia n ASP 97 N -4.01 1.50 -3.83 5.81 8.00 0.25 -4.94 116.55 119.33 1aia n ASP 97 Ca -0.02 -1.69 -0.26 0.00 0.71 0.00 0.00 54.79 53.53 1aia n ASP 97 Cb 0.49 -0.10 0.03 0.00 -0.02 0.00 0.00 41.12 41.51 1aia n ASP 97 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1aia n LYS 98 N 0.22 -5.16 0.00 -1.24 0.00 -0.94 -4.29 118.16 106.75 1aia n LYS 98 Ca 0.16 0.60 0.12 0.00 0.00 0.00 0.00 58.31 59.19 1aia n LYS 98 Cb 0.30 -5.31 0.23 0.00 0.00 0.00 0.00 35.03 30.26 1aia n LYS 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1aia n ARG 99 N -4.50 1.40 -5.04 1.64 1.74 -0.52 -3.68 116.66 107.70 1aia n ARG 99 Ca -0.12 -1.02 -0.28 0.00 -0.77 0.00 0.00 57.85 55.66 1aia n ARG 99 Cb 0.60 -1.48 -0.15 0.00 -1.02 0.00 0.00 32.46 30.40 1aia n ARG 99 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1aia s ALA 100 N -2.30 1.85 -0.05 7.54 0.00 -1.25 -1.89 121.76 125.67 1aia s ALA 100 Ca 0.26 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.25 1aia s ALA 100 Cb 0.19 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.87 1aia s ALA 100 CO 0.46 0.45 -0.08 1.03 0.00 0.00 0.00 175.76 177.62 1aia s ARG 101 N -0.62 1.16 -0.13 0.00 1.81 -0.39 -4.99 118.95 115.78 1aia s ARG 101 Ca 0.09 -0.23 0.01 0.00 -1.72 0.00 0.00 55.73 53.87 1aia s ARG 101 Cb -0.09 -1.04 -0.01 0.00 -0.45 0.00 0.00 34.95 33.36 1aia s ARG 101 CO -0.00 -0.02 -0.17 0.99 -0.68 0.00 0.00 175.30 175.42 1aia s THR 102 N 0.75 2.69 -0.11 0.02 2.01 -1.26 -0.94 115.64 118.80 1aia s THR 102 Ca -0.12 -0.79 -0.03 0.00 0.31 0.00 0.00 61.69 61.06 1aia s THR 102 Cb -0.15 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.23 1aia s THR 102 CO 0.02 0.53 0.01 0.00 -0.69 0.00 0.00 174.62 174.49 1aia s ALA 103 N 0.43 3.31 0.16 7.40 0.00 -0.36 -4.86 121.76 127.84 1aia s ALA 103 Ca -0.12 -0.79 -0.30 0.00 0.00 0.00 0.00 51.96 50.75 1aia s ALA 103 Cb -0.16 -1.57 -0.07 0.00 0.00 0.00 0.00 23.12 21.31 1aia s ALA 103 CO 0.06 0.50 1.09 -1.14 0.00 0.00 0.00 175.76 176.26 1aia s GLN 104 N -0.60 4.60 0.22 0.00 0.74 0.26 -1.07 119.66 123.81 1aia s GLN 104 Ca 0.10 1.69 0.02 0.00 0.05 0.00 0.00 55.36 57.21 1aia s GLN 104 Cb -0.12 -3.29 -0.05 0.00 1.10 0.00 0.00 33.01 30.65 1aia s GLN 104 CO 0.02 0.07 0.05 0.95 -0.55 0.00 0.00 175.29 175.84 1aia s THR 105 N -0.14 0.66 -1.17 -0.34 -4.23 -0.43 -4.68 115.64 105.31 1aia s THR 105 Ca 0.50 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.80 1aia s THR 105 Cb -0.29 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1aia s THR 105 CO 0.34 -0.21 1.78 -2.16 -0.54 0.00 0.00 174.62 173.82 1aia s PRO 106 N -3.97 3.28 0.00 3.99 0.04 -1.26 -2.78 135.00 134.29 1aia s PRO 106 Ca 0.32 -1.38 0.00 0.00 0.04 0.00 0.00 61.00 59.97 1aia s PRO 106 Cb 0.07 -5.36 0.00 0.00 0.04 0.00 0.00 34.50 29.25 1aia s PRO 106 CO 0.09 -2.93 0.00 0.41 0.04 0.00 0.00 177.00 174.61 1aia n GLY 107 N 5.96 -1.14 0.33 0.56 0.00 -1.08 -2.91 105.19 106.90 1aia n GLY 107 Ca 0.44 -1.62 -0.07 0.00 0.00 0.00 0.00 46.02 44.77 1aia n GLY 107 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1aia h GLY 108 N 0.00 1.24 0.97 -0.02 0.00 -1.74 -2.51 103.07 101.02 1aia h GLY 108 Ca 0.00 -0.75 0.04 0.00 0.00 0.00 0.00 47.33 46.62 1aia h GLY 108 CO 0.00 0.70 0.59 -0.84 0.00 0.00 0.00 176.54 176.99 1aia h THR 109 N 1.10 1.14 -0.36 4.70 2.02 -1.92 -1.44 112.91 118.16 1aia h THR 109 Ca 0.23 -0.38 -0.13 0.00 0.77 0.00 0.00 66.41 66.90 1aia h THR 109 Cb 0.33 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 1aia h THR 109 CO -0.00 0.20 -0.29 1.23 0.37 0.00 0.00 175.52 177.03 1aia h GLY 110 N 1.12 0.82 1.36 2.16 0.00 -1.47 -1.38 103.07 105.69 1aia h GLY 110 Ca 0.36 -0.75 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 1aia h GLY 110 CO -0.11 0.68 -0.01 0.00 0.00 0.00 0.00 176.54 177.10 1aia h ALA 111 N 1.03 1.11 -0.22 3.60 0.00 -0.97 -0.64 119.26 123.16 1aia h ALA 111 Ca 0.08 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1aia h ALA 111 Cb 0.81 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1aia h ALA 111 CO 0.07 0.57 -0.25 1.25 0.00 0.00 0.00 179.25 180.88 1aia h LEU 112 N 0.73 0.61 -0.12 0.00 5.85 -1.03 -1.66 115.31 119.68 1aia h LEU 112 Ca 0.14 -0.49 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 1aia h LEU 112 Cb 0.45 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1aia h LEU 112 CO 0.02 0.97 0.01 -0.09 -0.34 0.00 0.00 178.44 179.02 1aia h ARG 113 N 0.25 0.20 -0.97 1.25 9.65 -1.12 -1.60 114.38 122.04 1aia h ARG 113 Ca 0.03 -0.06 0.13 0.00 -1.10 0.00 0.00 59.98 58.99 1aia h ARG 113 Cb 0.82 -0.02 -0.09 0.00 -1.39 0.00 0.00 29.97 29.29 1aia h ARG 113 CO 0.06 0.41 0.60 0.28 2.80 0.00 0.00 179.97 184.12 1aia h VAL 114 N -0.04 0.87 -0.55 0.20 2.07 -1.13 0.91 116.25 118.57 1aia h VAL 114 Ca 0.03 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 67.16 1aia h VAL 114 Cb 0.32 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 1aia h VAL 114 CO 0.00 0.17 0.00 0.00 0.02 0.00 0.00 177.57 177.76 1aia h ALA 115 N 1.55 0.74 -0.36 1.67 0.00 -1.14 -1.47 119.26 120.24 1aia h ALA 115 Ca 0.50 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1aia h ALA 115 Cb 0.56 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1aia h ALA 115 CO -0.29 0.56 -0.19 0.00 0.00 0.00 0.00 179.25 179.33 1aia h ALA 116 N 0.96 0.51 -0.15 0.00 0.00 -0.24 -1.18 119.26 119.16 1aia h ALA 116 Ca 0.15 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 1aia h ALA 116 Cb 0.53 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1aia h ALA 116 CO 0.03 0.46 -0.45 -0.44 0.00 0.00 0.00 179.25 178.84 1aia h ASP 117 N 0.56 0.40 -0.25 0.00 3.32 -0.81 -0.39 116.42 119.25 1aia h ASP 117 Ca 0.08 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 1aia h ASP 117 Cb 0.74 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 1aia h ASP 117 CO 0.06 0.80 0.00 0.15 -1.72 0.00 0.00 179.24 178.53 1aia h PHE 118 N 0.30 0.48 -0.08 4.55 3.57 -1.16 -2.28 116.94 122.32 1aia h PHE 118 Ca 0.02 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 1aia h PHE 118 Cb 0.92 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.53 1aia h PHE 118 CO 0.03 0.60 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.63 1aia h LEU 119 N 0.22 0.15 -1.05 0.59 3.38 -1.11 -1.38 115.31 116.12 1aia h LEU 119 Ca 0.07 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.74 1aia h LEU 119 Cb 0.41 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 1aia h LEU 119 CO 0.01 0.45 0.64 0.00 0.09 0.00 0.00 178.44 179.63 1aia h ALA 120 N 0.71 1.34 0.00 1.53 0.00 -1.07 -2.63 119.26 119.14 1aia h ALA 120 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1aia h ALA 120 Cb 0.37 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1aia h ALA 120 CO 0.01 0.58 -1.09 1.63 0.00 0.00 0.00 179.25 180.38 1aia n LYS 121 N -4.42 0.61 -0.04 0.00 4.76 -0.86 -4.40 118.16 113.81 1aia n LYS 121 Ca 0.12 0.09 0.03 0.00 -2.87 0.00 0.00 58.31 55.69 1aia n LYS 121 Cb 0.06 -1.80 0.04 0.00 -1.84 0.00 0.00 35.03 31.49 1aia n LYS 121 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1aia n ASN 122 N -2.64 1.94 -3.81 4.39 3.02 -0.52 -5.06 115.26 112.57 1aia n ASN 122 Ca -0.00 -2.28 -0.10 0.00 -0.03 0.00 0.00 54.58 52.17 1aia n ASN 122 Cb 0.55 -0.14 -0.05 0.00 -0.61 0.00 0.00 39.78 39.54 1aia n ASN 122 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1aia s THR 123 N -1.49 0.04 -2.08 3.41 2.01 -1.00 -5.00 115.64 111.53 1aia s THR 123 Ca 0.10 -0.98 0.24 0.00 0.31 0.00 0.00 61.69 61.36 1aia s THR 123 Cb 0.09 -1.66 0.64 0.00 0.01 0.00 0.00 72.50 71.58 1aia s THR 123 CO 0.01 -0.18 1.86 -1.54 -0.69 0.00 0.00 174.62 174.08 1aia n SER 124 N -0.30 0.34 -4.73 3.53 3.41 -1.26 -4.77 113.62 109.84 1aia n SER 124 Ca -0.09 -1.33 -0.42 0.00 -0.26 0.00 0.00 58.87 56.77 1aia n SER 124 Cb 0.63 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.54 1aia n SER 124 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1aia s VAL 125 N -1.97 2.82 0.00 -3.33 1.01 -1.26 -4.87 120.40 112.80 1aia s VAL 125 Ca 0.36 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.98 1aia s VAL 125 Cb 0.17 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1aia s VAL 125 CO 0.28 0.08 0.00 1.17 0.00 0.00 0.00 175.10 176.63 1aia n LYS 126 N 3.04 3.67 -3.72 2.72 0.00 -1.26 -4.73 118.16 117.88 1aia n LYS 126 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.27 1aia n LYS 126 Cb 0.40 -0.51 -0.09 0.00 0.00 0.00 0.00 35.03 34.83 1aia n LYS 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1aia s ARG 129 N -0.89 0.56 -0.01 1.64 3.52 -1.26 -1.45 118.95 121.06 1aia s ARG 129 Ca 0.00 0.51 0.03 0.00 -0.13 0.00 0.00 55.73 56.14 1aia s ARG 129 Cb 0.00 0.27 -0.01 0.00 -1.56 0.00 0.00 34.95 33.65 1aia s ARG 129 CO 0.00 -0.09 -0.11 0.54 -0.81 0.00 0.00 175.30 174.83 1aia s VAL 133 N -0.01 0.90 -0.22 7.11 0.11 0.73 -2.38 120.40 126.64 1aia s VAL 133 Ca -0.02 -0.48 -0.11 0.00 -2.93 0.00 0.00 61.98 58.44 1aia s VAL 133 Cb -0.03 -0.76 -0.05 0.00 -1.53 0.00 0.00 36.38 34.01 1aia s VAL 133 CO 0.01 0.26 0.17 0.26 -3.33 0.00 0.00 175.10 172.47 1aia s TRP 134 N -0.22 3.36 0.12 1.54 0.52 0.59 -0.94 118.94 123.91 1aia s TRP 134 Ca 0.04 0.31 0.09 0.00 0.02 0.00 0.00 56.10 56.55 1aia s TRP 134 Cb -0.05 -2.24 -0.04 0.00 -1.15 0.00 0.00 33.47 29.99 1aia s TRP 134 CO -0.00 0.16 -0.21 0.14 0.02 0.00 0.00 176.95 177.05 1aia s VAL 135 N 0.77 1.81 0.74 4.03 -7.23 0.40 -0.91 120.40 120.00 1aia s VAL 135 Ca 0.09 -1.64 -0.14 0.00 -1.81 0.00 0.00 61.98 58.47 1aia s VAL 135 Cb -0.13 -1.67 0.04 0.00 0.56 0.00 0.00 36.38 35.19 1aia s VAL 135 CO 0.02 -0.09 1.17 -0.94 -0.31 0.00 0.00 175.10 174.96 1aia s SER 136 N -2.07 4.27 -0.30 4.85 1.04 -1.26 -1.67 113.70 118.56 1aia s SER 136 Ca 0.09 2.23 -0.04 0.00 0.48 0.00 0.00 55.95 58.71 1aia s SER 136 Cb -0.09 -2.57 0.03 0.00 0.10 0.00 0.00 66.02 63.48 1aia s SER 136 CO 0.05 -2.21 0.04 0.21 0.98 0.00 0.00 173.24 172.31 1aia s ASN 137 N -2.29 4.94 0.79 7.02 3.84 0.64 -3.17 114.94 126.71 1aia s ASN 137 Ca 0.71 -0.98 -0.09 0.00 0.21 0.00 0.00 52.86 52.71 1aia s ASN 137 Cb -0.26 -1.79 0.11 0.00 -0.55 0.00 0.00 41.25 38.76 1aia s ASN 137 CO 0.46 -0.23 1.12 -2.16 -2.79 0.00 0.00 177.10 173.51 1aia s PRO 138 N 1.38 1.68 0.28 0.43 0.04 -1.26 -3.37 135.00 134.18 1aia s PRO 138 Ca -0.01 -0.34 -0.04 0.00 0.04 0.00 0.00 61.00 60.65 1aia s PRO 138 Cb -0.18 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 1aia s PRO 138 CO 0.00 -1.64 0.39 0.45 0.04 0.00 0.00 177.00 176.24 1aia s SER 139 N -4.66 0.52 0.07 6.66 0.15 -1.19 -4.60 113.70 110.65 1aia s SER 139 Ca 0.65 -1.32 -0.30 0.00 0.70 0.00 0.00 55.95 55.67 1aia s SER 139 Cb -0.08 0.57 -0.09 0.00 -1.71 0.00 0.00 66.02 64.71 1aia s SER 139 CO 0.48 -1.14 1.83 0.86 1.20 0.00 0.00 173.24 176.46 1aia s TRP 140 N -3.59 1.89 0.57 3.44 -0.00 -1.06 -4.55 118.94 115.64 1aia s TRP 140 Ca 0.31 -0.09 0.33 0.00 -0.00 0.00 0.00 56.10 56.65 1aia s TRP 140 Cb 0.01 -4.14 1.90 0.00 -0.00 0.00 0.00 33.47 31.24 1aia s TRP 140 CO 0.16 -4.83 2.25 -1.00 -0.00 0.00 0.00 176.95 173.53 1aia h PRO 141 N 9.29 0.00 0.00 5.86 0.13 -1.99 -1.30 132.00 143.99 1aia h PRO 141 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1aia h PRO 141 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1aia h PRO 141 CO 0.94 0.02 0.00 -1.71 -0.23 0.00 0.00 178.00 177.02 1aia n ASN 142 N -3.62 0.00 0.01 1.44 5.15 -1.26 -3.27 115.26 113.71 1aia n ASN 142 Ca -0.03 -0.45 -0.12 0.00 -0.60 0.00 0.00 54.58 53.39 1aia n ASN 142 Cb 0.11 -0.14 -0.06 0.00 -0.53 0.00 0.00 39.78 39.16 1aia n ASN 142 CO 0.00 0.00 0.00 0.45 1.40 0.00 0.00 177.26 179.11 1aia h HIS 143 N 0.00 0.08 -0.98 1.20 3.86 -1.61 -2.43 115.15 115.27 1aia h HIS 143 Ca 0.00 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.26 1aia h HIS 143 Cb 0.11 -0.02 -0.06 0.00 1.06 0.00 0.00 27.41 28.49 1aia h HIS 143 CO 0.00 0.13 0.64 -0.22 0.86 0.00 0.00 177.93 179.34 1aia h LYS 144 N 0.00 1.14 -0.06 2.45 3.64 -1.76 -2.79 116.57 119.20 1aia h LYS 144 Ca 0.02 -0.07 -0.17 0.00 -1.27 0.00 0.00 60.65 59.17 1aia h LYS 144 Cb 0.08 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1aia h LYS 144 CO -0.00 0.75 -0.69 0.77 -2.27 0.00 0.00 179.45 178.01 1aia h SER 145 N 1.17 0.33 -0.05 4.20 0.02 -1.66 -0.11 113.55 117.45 1aia h SER 145 Ca 0.41 -0.21 -0.08 0.00 -0.84 0.00 0.00 61.79 61.07 1aia h SER 145 Cb 0.12 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1aia h SER 145 CO -0.15 0.91 -0.28 -0.37 -1.14 0.00 0.00 176.83 175.80 1aia h VAL 146 N 0.19 1.45 -0.73 2.27 -1.51 -1.21 -2.32 116.25 114.39 1aia h VAL 146 Ca -0.02 -1.74 -0.04 0.00 -1.23 0.00 0.00 66.70 63.67 1aia h VAL 146 Cb 1.23 2.41 -0.03 0.00 -2.13 0.00 0.00 31.29 32.77 1aia h VAL 146 CO 0.11 0.49 0.29 -0.26 -1.23 0.00 0.00 177.57 176.98 1aia h PHE 147 N -0.25 1.09 -0.60 5.19 0.04 -1.49 -2.30 116.94 118.63 1aia h PHE 147 Ca -0.02 -0.07 -0.08 0.00 2.80 0.00 0.00 57.97 60.59 1aia h PHE 147 Cb 0.95 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.74 1aia h PHE 147 CO 0.14 0.83 0.04 -0.91 -0.60 0.00 0.00 178.31 177.81 1aia h ASN 148 N 1.05 0.97 -0.40 2.17 2.35 -1.05 -2.18 115.58 118.49 1aia h ASN 148 Ca 0.25 -0.25 0.08 0.00 -0.55 0.00 0.00 56.30 55.83 1aia h ASN 148 Cb 0.19 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 1aia h ASN 148 CO -0.02 1.00 0.28 0.28 -1.65 0.00 0.00 177.43 177.31 1aia h SER 149 N 0.93 0.18 0.14 5.81 0.02 -0.84 -0.63 113.55 119.17 1aia h SER 149 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1aia h SER 149 Cb 0.48 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1aia h SER 149 CO 0.02 0.12 -0.05 0.00 -1.14 0.00 0.00 176.83 175.78 1aia n ALA 150 N -2.55 2.69 -1.65 3.77 0.00 -0.97 -4.93 120.51 116.87 1aia n ALA 150 Ca 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1aia n ALA 150 Cb 0.32 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1aia n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aia n GLY 151 N 1.17 0.78 3.59 0.00 0.00 -0.24 -4.83 105.19 105.66 1aia n GLY 151 Ca 0.19 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 1aia n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aia s LEU 152 N -0.18 3.14 0.16 0.99 1.02 -0.86 -5.01 118.68 117.94 1aia s LEU 152 Ca 0.00 -0.12 -0.28 0.00 0.02 0.00 0.00 54.13 53.74 1aia s LEU 152 Cb 0.00 -1.77 -0.07 0.00 0.02 0.00 0.00 46.19 44.37 1aia s LEU 152 CO 0.00 0.30 0.88 -0.70 0.02 0.00 0.00 176.35 176.86 1aia s GLU 154 N -1.25 4.70 -0.10 1.70 2.12 -0.53 -3.86 118.70 121.48 1aia s GLU 154 Ca 0.16 1.35 0.02 0.00 0.36 0.00 0.00 54.97 56.85 1aia s GLU 154 Cb -0.11 -3.32 -0.01 0.00 0.26 0.00 0.00 34.13 30.95 1aia s GLU 154 CO 0.06 0.41 -0.16 0.14 -0.54 0.00 0.00 175.26 175.17 1aia s VAL 155 N -0.68 2.85 0.21 3.70 -7.23 -1.26 -0.19 120.40 117.80 1aia s VAL 155 Ca 0.41 -0.75 0.09 0.00 -1.81 0.00 0.00 61.98 59.92 1aia s VAL 155 Cb -0.24 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 1aia s VAL 155 CO 0.29 0.55 -0.06 -0.13 -0.31 0.00 0.00 175.10 175.43 1aia s ARG 156 N 0.08 2.14 -0.11 4.82 1.81 -0.11 -4.95 118.95 122.63 1aia s ARG 156 Ca -0.07 -1.33 -0.00 0.00 -1.72 0.00 0.00 55.73 52.61 1aia s ARG 156 Cb -0.15 -2.15 -0.02 0.00 -0.45 0.00 0.00 34.95 32.18 1aia s ARG 156 CO 0.05 0.41 -0.10 -1.21 -0.68 0.00 0.00 175.30 173.76 1aia s GLU 157 N -3.16 3.20 0.14 3.54 2.02 -1.26 -0.45 118.70 122.74 1aia s GLU 157 Ca 0.27 -0.63 0.05 0.00 0.02 0.00 0.00 54.97 54.69 1aia s GLU 157 Cb -0.08 -2.65 -0.04 0.00 0.10 0.00 0.00 34.13 31.47 1aia s GLU 157 CO 0.17 0.37 0.12 1.52 0.02 0.00 0.00 175.26 177.45 1aia s TYR 158 N -0.02 3.15 0.67 1.61 1.13 -0.67 -4.91 117.35 118.31 1aia s TYR 158 Ca -0.02 0.00 -0.14 0.00 -1.41 0.00 0.00 57.07 55.50 1aia s TYR 158 Cb -0.14 -1.54 0.00 0.00 -1.10 0.00 0.00 41.96 39.19 1aia s TYR 158 CO 0.03 0.52 1.10 0.00 -2.51 0.00 0.00 175.55 174.70 1aia s ALA 159 N -1.65 2.46 0.00 9.51 0.00 -1.26 -0.26 121.76 130.56 1aia s ALA 159 Ca 0.30 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1aia s ALA 159 Cb -0.11 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1aia s ALA 159 CO 0.23 -1.31 0.00 0.98 0.00 0.00 0.00 175.76 175.66 1aia n TYR 160 N -2.55 -0.95 -4.57 0.00 9.36 -1.22 -3.90 117.16 113.34 1aia n TYR 160 Ca 0.10 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 61.00 1aia n TYR 160 Cb 0.52 0.30 -0.11 0.00 -0.63 0.00 0.00 39.34 39.42 1aia n TYR 160 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 1aia s TYR 161 N -1.60 2.76 -0.57 2.98 5.04 -1.22 -2.02 117.35 122.72 1aia s TYR 161 Ca 0.00 -0.13 -0.09 0.00 -2.44 0.00 0.00 57.07 54.41 1aia s TYR 161 Cb 0.00 -1.56 0.15 0.00 0.35 0.00 0.00 41.96 40.89 1aia s TYR 161 CO 0.00 0.31 0.45 0.34 -1.34 0.00 0.00 175.55 175.32 1aia s ASP 162 N -1.35 5.86 0.54 4.32 -1.08 -0.04 -4.83 116.67 120.09 1aia s ASP 162 Ca 0.16 -2.22 0.25 0.00 -0.52 0.00 0.00 52.55 50.22 1aia s ASP 162 Cb -0.11 -2.04 1.53 0.00 -1.46 0.00 0.00 42.92 40.85 1aia s ASP 162 CO 0.06 -0.63 2.16 0.00 0.52 0.00 0.00 175.17 177.28 1aia h ALA 163 N 8.10 1.55 0.09 3.66 0.00 -1.98 0.52 119.26 131.21 1aia h ALA 163 Ca -0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1aia h ALA 163 Cb 1.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1aia h ALA 163 CO 0.83 0.07 -0.04 0.93 0.00 0.00 0.00 179.25 181.04 1aia h GLU 164 N 0.00 -0.11 -0.02 0.00 5.08 -1.97 -3.38 114.58 114.18 1aia h GLU 164 Ca -0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1aia h GLU 164 Cb 0.13 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1aia h GLU 164 CO 0.01 0.42 -0.39 0.09 -1.00 0.00 0.00 179.01 178.14 1aia n ASN 165 N -4.85 1.99 -3.52 1.42 3.02 -0.99 -4.99 115.26 107.35 1aia n ASN 165 Ca -0.08 -1.49 -0.20 0.00 -0.03 0.00 0.00 54.58 52.78 1aia n ASN 165 Cb 0.29 0.37 0.06 0.00 -0.61 0.00 0.00 39.78 39.89 1aia n ASN 165 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1aia n HIS 166 N 0.04 -2.12 -4.14 3.10 8.25 0.18 -5.00 115.22 115.53 1aia n HIS 166 Ca 0.10 0.80 -0.16 0.00 -0.26 0.00 0.00 57.72 58.20 1aia n HIS 166 Cb 0.46 -4.30 -0.05 0.00 1.12 0.00 0.00 29.99 27.22 1aia n HIS 166 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1aia s THR 167 N -3.50 0.00 -0.38 1.59 -4.23 -1.17 -4.97 115.64 102.98 1aia s THR 167 Ca 0.21 -1.72 -0.23 0.00 -1.18 0.00 0.00 61.69 58.76 1aia s THR 167 Cb -0.05 -2.59 0.01 0.00 1.34 0.00 0.00 72.50 71.22 1aia s THR 167 CO 0.78 0.00 0.79 -0.22 -0.54 0.00 0.00 174.62 175.43 1aia s LEU 168 N -3.27 4.15 -0.70 4.79 0.20 -1.26 -0.86 118.68 121.73 1aia s LEU 168 Ca 0.34 0.27 -0.10 0.00 0.69 0.00 0.00 54.13 55.32 1aia s LEU 168 Cb 0.01 -3.02 0.18 0.00 -0.43 0.00 0.00 46.19 42.93 1aia s LEU 168 CO 0.22 -0.77 0.59 -0.62 -0.29 0.00 0.00 176.35 175.48 1aia s ASP 169 N 1.90 6.13 0.22 3.68 2.15 -0.86 -4.87 116.67 125.02 1aia s ASP 169 Ca 0.31 -2.56 -0.10 0.00 0.43 0.00 0.00 52.55 50.63 1aia s ASP 169 Cb -0.13 -2.08 0.17 0.00 -0.30 0.00 0.00 42.92 40.59 1aia s ASP 169 CO 0.18 -0.55 1.89 0.15 -0.17 0.00 0.00 175.17 176.67 1aia h PHE 170 N 7.74 1.01 -0.01 -5.34 3.57 -1.93 -1.75 116.94 120.22 1aia h PHE 170 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1aia h PHE 170 Cb 1.02 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.42 1aia h PHE 170 CO 0.86 0.64 0.00 -0.44 -2.23 0.00 0.00 178.31 177.14 1aia h ASP 171 N 1.09 0.00 -0.35 0.41 3.32 -1.98 -0.27 116.42 118.63 1aia h ASP 171 Ca 0.29 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.32 1aia h ASP 171 Cb -0.12 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1aia h ASP 171 CO -0.06 0.00 0.15 0.00 -1.72 0.00 0.00 179.24 177.61 1aia h ALA 172 N 1.01 1.51 -0.59 3.45 0.00 -1.91 -1.72 119.26 121.00 1aia h ALA 172 Ca 0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1aia h ALA 172 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1aia h ALA 172 CO -0.00 0.38 0.04 1.25 0.00 0.00 0.00 179.25 180.92 1aia h LEU 173 N 0.58 0.98 -0.85 0.00 5.85 -0.73 -1.66 115.31 119.48 1aia h LEU 173 Ca 0.14 -0.29 -0.12 0.00 0.84 0.00 0.00 57.88 58.45 1aia h LEU 173 Cb 0.14 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1aia h LEU 173 CO -0.01 1.03 -0.56 -0.29 -0.34 0.00 0.00 178.44 178.26 1aia h ILE 174 N 0.91 1.37 0.00 4.05 2.10 -0.80 -1.83 117.51 123.30 1aia h ILE 174 Ca 0.17 -1.96 -0.15 0.00 1.08 0.00 0.00 64.86 64.00 1aia h ILE 174 Cb 0.50 2.06 -0.02 0.00 -1.09 0.00 0.00 36.82 38.27 1aia h ILE 174 CO 0.02 0.55 -0.78 0.78 -1.08 0.00 0.00 178.15 177.64 1aia h ASN 175 N 0.00 0.00 1.20 2.19 2.35 -1.01 -3.02 115.58 117.30 1aia h ASN 175 Ca -0.01 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.59 1aia h ASN 175 Cb 1.02 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.37 1aia h ASN 175 CO 0.07 0.69 -0.83 0.77 -1.65 0.00 0.00 177.43 176.49 1aia h SER 176 N 0.00 0.00 -0.03 5.81 4.64 -1.06 -3.14 113.55 119.78 1aia h SER 176 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1aia h SER 176 Cb 1.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 1aia h SER 176 CO 0.09 0.67 0.00 0.18 -0.87 0.00 0.00 176.83 176.90 1aia n LEU 177 N -3.20 0.50 -4.90 5.97 4.77 -0.71 -4.72 117.00 114.71 1aia n LEU 177 Ca -0.01 -0.25 -0.29 0.00 -0.03 0.00 0.00 56.01 55.43 1aia n LEU 177 Cb 0.82 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 1aia n LEU 177 CO 0.43 0.11 0.28 0.20 -1.33 0.00 0.00 177.39 177.08 1aia s ASN 178 N -0.68 6.47 0.38 -1.43 0.01 -1.19 -4.33 114.94 114.18 1aia s ASN 178 Ca 0.02 0.84 0.00 0.00 -0.71 0.00 0.00 52.86 53.01 1aia s ASN 178 Cb 0.01 -2.20 0.00 0.00 0.41 0.00 0.00 41.25 39.47 1aia s ASN 178 CO 0.01 -0.26 0.00 1.21 -1.51 0.00 0.00 177.10 176.55 1aia n GLU 179 N -1.05 0.00 -3.94 -0.60 4.07 -1.26 -4.84 120.64 113.01 1aia n GLU 179 Ca -0.00 0.00 -0.28 0.00 -0.06 0.00 0.00 57.16 56.81 1aia n GLU 179 Cb 0.54 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.93 1aia n GLU 179 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1aia n ALA 180 N 5.90 -1.96 0.00 4.31 0.00 -1.26 -4.74 120.51 122.76 1aia n ALA 180 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1aia n ALA 180 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 17.95 1aia n ALA 180 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1aia n GLN 181 N -3.39 0.00 -2.06 0.00 6.02 -1.26 -4.71 117.38 111.98 1aia n GLN 181 Ca -0.07 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.51 1aia n GLN 181 Cb 0.33 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.57 1aia n GLN 181 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1aia s ALA 182 N 0.00 3.62 0.00 -1.58 0.00 -1.25 -1.61 121.76 120.94 1aia s ALA 182 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.24 1aia s ALA 182 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1aia s ALA 182 CO 0.00 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.47 1aia n GLY 183 N 2.44 0.76 3.85 0.00 0.00 0.66 -5.00 105.19 107.90 1aia n GLY 183 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1aia n GLY 183 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aia s ASP 184 N -2.12 6.71 -0.13 1.61 1.01 -0.63 -4.54 116.67 118.57 1aia s ASP 184 Ca 0.00 1.26 -0.15 0.00 0.71 0.00 0.00 52.55 54.37 1aia s ASP 184 Cb 0.00 -2.37 -0.05 0.00 1.01 0.00 0.00 42.92 41.51 1aia s ASP 184 CO 0.00 -0.27 0.35 -0.69 0.21 0.00 0.00 175.17 174.77 1aia s VAL 185 N -2.11 5.25 -0.19 -1.27 1.01 -1.00 -0.40 120.40 121.68 1aia s VAL 185 Ca 0.54 0.69 -0.04 0.00 0.00 0.00 0.00 61.98 63.17 1aia s VAL 185 Cb -0.10 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1aia s VAL 185 CO 0.21 0.39 -0.03 -0.69 0.00 0.00 0.00 175.10 174.98 1aia s VAL 186 N 0.32 3.66 -0.21 2.92 1.01 0.20 -0.30 120.40 128.01 1aia s VAL 186 Ca 0.20 -0.41 -0.18 0.00 0.00 0.00 0.00 61.98 61.59 1aia s VAL 186 Cb -0.14 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 1aia s VAL 186 CO 0.07 0.44 0.48 -0.22 0.00 0.00 0.00 175.10 175.87 1aia s LEU 187 N 1.00 4.14 -0.14 3.92 0.20 -0.09 -1.04 118.68 126.66 1aia s LEU 187 Ca 0.01 0.60 -0.02 0.00 0.69 0.00 0.00 54.13 55.41 1aia s LEU 187 Cb -0.15 -2.64 -0.02 0.00 -0.43 0.00 0.00 46.19 42.95 1aia s LEU 187 CO 0.01 -0.16 -0.08 -0.36 -0.29 0.00 0.00 176.35 175.47 1aia s PHE 188 N 1.63 2.92 -0.09 5.38 0.08 -0.05 -4.48 117.98 123.37 1aia s PHE 188 Ca 0.22 -0.45 -0.30 0.00 0.12 0.00 0.00 56.93 56.52 1aia s PHE 188 Cb -0.15 -1.90 -0.02 0.00 -0.57 0.00 0.00 43.02 40.37 1aia s PHE 188 CO 0.09 -0.11 1.14 -1.01 -0.10 0.00 0.00 175.22 175.23 1aia s HIS 189 N 0.34 3.26 0.13 0.36 3.76 -1.26 -0.13 115.29 121.75 1aia s HIS 189 Ca -0.07 1.32 -0.14 0.00 -0.15 0.00 0.00 55.06 56.02 1aia s HIS 189 Cb -0.15 -3.35 -0.02 0.00 1.11 0.00 0.00 32.58 30.17 1aia s HIS 189 CO 0.04 -0.99 1.57 0.78 -0.85 0.00 0.00 174.74 175.30 1aia h GLY 190 N 8.34 0.79 -3.27 -2.22 0.00 -1.33 -3.47 103.07 101.91 1aia h GLY 190 Ca -0.32 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.39 1aia h GLY 190 CO 0.89 0.54 0.12 0.00 0.00 0.00 0.00 176.54 178.09 1aia n HIS 193 N -3.07 1.61 -3.72 0.00 -0.00 -1.26 -4.77 115.22 104.00 1aia n HIS 193 Ca -0.08 0.69 -0.37 0.00 0.46 0.00 0.00 57.72 58.42 1aia n HIS 193 Cb 0.59 -2.34 -0.12 0.00 -0.12 0.00 0.00 29.99 28.00 1aia n HIS 193 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1aia s ASN 194 N 1.64 5.38 0.00 0.26 2.47 -1.26 -0.16 114.94 123.27 1aia s ASN 194 Ca 0.91 -0.14 0.24 0.00 0.42 0.00 0.00 52.86 54.29 1aia s ASN 194 Cb -1.07 -1.98 0.27 0.00 -1.45 0.00 0.00 41.25 37.03 1aia s ASN 194 CO 0.57 -0.03 1.31 -0.81 -3.72 0.00 0.00 177.10 174.41 1aia n PRO 195 N 4.91 2.27 -0.01 0.43 -0.04 -1.26 -2.56 135.00 138.74 1aia n PRO 195 Ca -0.16 -1.84 -0.03 0.00 -0.04 0.00 0.00 63.50 61.43 1aia n PRO 195 Cb 0.52 -1.46 -0.12 0.00 -0.04 0.00 0.00 33.50 32.40 1aia n PRO 195 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1aia n THR 196 N 1.24 1.28 -0.98 0.52 -2.24 -1.06 -3.23 114.28 109.81 1aia n THR 196 Ca 0.15 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1aia n THR 196 Cb 0.58 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 1aia n THR 196 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aia n GLY 197 N 1.49 0.38 3.57 3.38 0.00 0.77 -4.40 105.19 110.39 1aia n GLY 197 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 1aia n GLY 197 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aia s ILE 198 N -1.84 5.22 0.07 -0.61 1.01 -1.26 0.55 121.20 124.34 1aia s ILE 198 Ca 0.00 0.18 0.07 0.00 0.00 0.00 0.00 60.65 60.89 1aia s ILE 198 Cb 0.00 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 1aia s ILE 198 CO 0.00 0.07 -0.13 -1.81 0.00 0.00 0.00 174.94 173.07 1aia s ASP 199 N 1.72 4.18 0.84 3.58 1.01 -1.26 -4.45 116.67 122.28 1aia s ASP 199 Ca 0.11 -0.38 -0.12 0.00 0.71 0.00 0.00 52.55 52.87 1aia s ASP 199 Cb -0.16 -0.77 0.11 0.00 1.01 0.00 0.00 42.92 43.10 1aia s ASP 199 CO 0.11 0.22 1.17 -2.84 0.21 0.00 0.00 175.17 174.05 1aia s PRO 200 N -1.81 1.44 0.67 8.23 0.02 -1.26 -4.99 135.00 137.30 1aia s PRO 200 Ca 0.18 1.64 -0.05 0.00 0.02 0.00 0.00 61.00 62.79 1aia s PRO 200 Cb -0.11 -1.77 0.05 0.00 0.02 0.00 0.00 34.50 32.70 1aia s PRO 200 CO 0.09 -2.34 0.96 0.95 -0.33 0.00 0.00 177.00 176.34 1aia s THR 201 N -2.39 2.40 0.38 0.99 -4.23 -1.26 -4.80 115.64 106.72 1aia s THR 201 Ca 0.70 -0.35 0.24 0.00 -1.18 0.00 0.00 61.69 61.10 1aia s THR 201 Cb -0.25 -3.01 0.25 0.00 1.34 0.00 0.00 72.50 70.83 1aia s THR 201 CO 0.54 -0.01 2.01 0.25 -0.54 0.00 0.00 174.62 176.86 1aia h LEU 202 N -0.44 0.00 -0.28 4.79 7.12 -1.98 0.12 115.31 124.64 1aia h LEU 202 Ca -0.44 0.00 -0.15 0.00 0.13 0.00 0.00 57.88 57.42 1aia h LEU 202 Cb 1.31 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.44 1aia h LEU 202 CO 0.59 0.16 -0.42 -0.33 -0.13 0.00 0.00 178.44 178.31 1aia h GLU 203 N 0.00 0.78 -0.09 1.25 5.08 -1.99 -1.60 114.58 118.02 1aia h GLU 203 Ca -0.00 -0.47 -0.09 0.00 -1.00 0.00 0.00 59.36 57.80 1aia h GLU 203 Cb 0.41 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1aia h GLU 203 CO 0.02 1.10 -0.34 1.96 -1.00 0.00 0.00 179.01 180.74 1aia h GLN 204 N 0.54 0.17 -0.29 2.33 4.20 -1.68 -1.08 115.11 119.31 1aia h GLN 204 Ca 0.03 -0.07 -0.16 0.00 0.06 0.00 0.00 58.65 58.51 1aia h GLN 204 Cb 1.02 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.79 1aia h GLN 204 CO 0.10 0.50 -0.43 -1.49 -0.67 0.00 0.00 178.83 176.84 1aia h TRP 205 N 0.15 0.99 -0.38 2.96 -0.00 -0.70 -2.09 115.95 116.88 1aia h TRP 205 Ca 0.02 -0.33 -0.06 0.00 -0.00 0.00 0.00 58.89 58.52 1aia h TRP 205 Cb 0.69 -0.19 -0.02 0.00 -0.00 0.00 0.00 29.16 29.64 1aia h TRP 205 CO 0.01 1.13 -0.01 1.96 -0.00 0.00 0.00 178.44 181.53 1aia h GLN 206 N 0.56 0.61 0.26 0.49 4.20 -1.03 -1.31 115.11 118.88 1aia h GLN 206 Ca 0.03 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1aia h GLN 206 Cb 1.03 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.73 1aia h GLN 206 CO 0.10 0.64 -0.13 1.15 -0.67 0.00 0.00 178.83 179.92 1aia h THR 207 N 0.58 0.79 -0.89 -0.54 2.02 -1.12 -2.03 112.91 111.71 1aia h THR 207 Ca 0.12 -0.48 0.16 0.00 0.77 0.00 0.00 66.41 66.98 1aia h THR 207 Cb 0.39 1.06 -0.07 0.00 -1.74 0.00 0.00 68.15 67.78 1aia h THR 207 CO 0.01 0.10 0.58 -0.07 0.37 0.00 0.00 175.52 176.51 1aia h LEU 208 N -0.60 0.58 -0.52 2.58 3.38 -1.27 0.21 115.31 119.66 1aia h LEU 208 Ca -0.04 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1aia h LEU 208 Cb 0.44 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1aia h LEU 208 CO 0.06 0.27 -0.14 0.00 0.09 0.00 0.00 178.44 178.71 1aia h ALA 209 N 1.61 0.72 -0.17 1.53 0.00 -1.02 -0.27 119.26 121.67 1aia h ALA 209 Ca 0.46 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1aia h ALA 209 Cb 0.86 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1aia h ALA 209 CO -0.20 0.66 -0.01 1.96 0.00 0.00 0.00 179.25 181.66 1aia h GLN 210 N 0.89 0.30 -0.19 0.00 4.20 -0.54 -2.79 115.11 116.98 1aia h GLN 210 Ca 0.13 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 1aia h GLN 210 Cb 0.72 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1aia h GLN 210 CO 0.06 0.54 -0.10 1.25 -0.67 0.00 0.00 178.83 179.90 1aia h LEU 211 N 0.03 0.28 0.04 1.46 5.85 -0.86 -2.12 115.31 119.99 1aia h LEU 211 Ca 0.05 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1aia h LEU 211 Cb 0.41 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1aia h LEU 211 CO 0.01 0.42 -0.02 -1.28 -0.34 0.00 0.00 178.44 177.23 1aia h SER 212 N 0.28 -0.04 0.90 1.25 0.87 -0.96 -1.30 113.55 114.56 1aia h SER 212 Ca 0.06 -0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 1aia h SER 212 Cb 0.37 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 1aia h SER 212 CO 0.02 0.03 -0.35 -0.37 -0.53 0.00 0.00 176.83 175.62 1aia h VAL 213 N -0.11 0.82 -0.19 2.23 -1.51 -1.22 -1.49 116.25 114.78 1aia h VAL 213 Ca -0.01 -1.49 -0.02 0.00 -1.23 0.00 0.00 66.70 63.95 1aia h VAL 213 Cb 0.09 1.93 -0.01 0.00 -2.13 0.00 0.00 31.29 31.17 1aia h VAL 213 CO 0.01 0.35 0.02 -0.08 -1.23 0.00 0.00 177.57 176.64 1aia h GLU 214 N 0.00 0.32 0.00 5.19 4.81 -1.29 -3.27 114.58 120.34 1aia h GLU 214 Ca -0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1aia h GLU 214 Cb 0.90 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.24 1aia h GLU 214 CO 0.05 0.49 -0.07 0.87 -0.73 0.00 0.00 179.01 179.61 1aia h LYS 215 N 0.10 0.00 -1.08 1.92 6.56 -1.20 -3.49 116.57 119.39 1aia h LYS 215 Ca 0.06 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.55 1aia h LYS 215 Cb 0.33 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.00 1aia h LYS 215 CO 0.01 0.00 -0.13 0.41 -2.06 0.00 0.00 179.45 177.68 1aia n GLY 216 N 1.28 0.31 3.88 3.86 0.00 -0.59 -3.92 105.19 110.01 1aia n GLY 216 Ca 0.05 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 1aia n GLY 216 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1aia s TRP 217 N -2.48 3.56 -0.29 1.61 0.51 -1.02 -0.25 118.94 120.58 1aia s TRP 217 Ca 0.04 1.12 -0.04 0.00 -2.12 0.00 0.00 56.10 55.10 1aia s TRP 217 Cb -0.02 -2.68 0.03 0.00 -0.81 0.00 0.00 33.47 30.00 1aia s TRP 217 CO 0.05 -0.67 0.03 -1.17 -0.51 0.00 0.00 176.95 174.67 1aia s LEU 218 N -5.10 3.78 0.11 2.99 2.96 0.46 -4.87 118.68 119.02 1aia s LEU 218 Ca 0.54 -0.99 -0.30 0.00 -0.22 0.00 0.00 54.13 53.15 1aia s LEU 218 Cb -0.11 -1.78 -0.07 0.00 0.50 0.00 0.00 46.19 44.74 1aia s LEU 218 CO 0.51 -0.22 1.19 -2.16 -1.32 0.00 0.00 176.35 174.35 1aia s PRO 219 N 1.37 4.47 -0.25 0.98 0.04 -1.26 -0.62 135.00 139.72 1aia s PRO 219 Ca -0.01 1.80 0.02 0.00 0.04 0.00 0.00 61.00 62.85 1aia s PRO 219 Cb -0.18 -3.31 0.06 0.00 0.04 0.00 0.00 34.50 31.11 1aia s PRO 219 CO -0.00 -0.17 -0.10 -1.17 0.04 0.00 0.00 177.00 175.60 1aia s LEU 220 N 0.50 3.22 -0.08 -3.56 0.20 -0.20 -1.94 118.68 116.82 1aia s LEU 220 Ca 0.56 -1.33 -0.20 0.00 0.69 0.00 0.00 54.13 53.86 1aia s LEU 220 Cb -0.30 -1.47 -0.04 0.00 -0.43 0.00 0.00 46.19 43.94 1aia s LEU 220 CO 0.32 -0.19 0.54 -0.36 -0.29 0.00 0.00 176.35 176.37 1aia s PHE 221 N 1.17 3.57 -0.26 5.38 0.40 -0.22 -0.87 117.98 127.14 1aia s PHE 221 Ca -0.08 1.03 -0.11 0.00 -0.60 0.00 0.00 56.93 57.18 1aia s PHE 221 Cb -0.19 -2.60 -0.05 0.00 0.51 0.00 0.00 43.02 40.68 1aia s PHE 221 CO -0.06 0.21 0.17 0.34 0.70 0.00 0.00 175.22 176.59 1aia s ASP 222 N 0.41 6.00 -0.67 1.36 -1.08 0.82 -0.91 116.67 122.60 1aia s ASP 222 Ca 0.29 0.02 0.05 0.00 -0.52 0.00 0.00 52.55 52.39 1aia s ASP 222 Cb -0.16 -2.10 0.17 0.00 -1.46 0.00 0.00 42.92 39.37 1aia s ASP 222 CO 0.13 -0.01 0.49 0.49 0.52 0.00 0.00 175.17 176.80 1aia n PHE 223 N 4.78 2.72 0.68 -5.34 3.72 0.47 -0.79 117.46 123.70 1aia n PHE 223 Ca -0.14 -4.18 0.11 0.00 -0.05 0.00 0.00 57.45 53.19 1aia n PHE 223 Cb 0.52 -0.51 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 1aia n PHE 223 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1aia n ALA 224 N 2.01 3.69 -2.05 4.37 0.00 -1.26 -2.05 120.51 125.22 1aia n ALA 224 Ca 0.22 -0.45 0.05 0.00 0.00 0.00 0.00 53.44 53.25 1aia n ALA 224 Cb 0.37 -0.93 0.09 0.00 0.00 0.00 0.00 19.45 18.99 1aia n ALA 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1aia n TYR 225 N -1.82 0.00 -1.72 0.00 4.01 -1.26 -4.41 117.16 111.96 1aia n TYR 225 Ca 0.02 -0.83 -0.42 0.00 -0.16 0.00 0.00 57.90 56.51 1aia n TYR 225 Cb 0.41 -0.18 -0.03 0.00 -0.31 0.00 0.00 39.34 39.23 1aia n TYR 225 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 1aia s GLN 226 N -1.31 4.13 0.00 -0.72 0.74 -1.26 -1.34 119.66 119.89 1aia s GLN 226 Ca 0.32 2.61 0.00 0.00 0.05 0.00 0.00 55.36 58.34 1aia s GLN 226 Cb 0.34 -3.29 0.00 0.00 1.10 0.00 0.00 33.01 31.16 1aia s GLN 226 CO -0.11 -0.79 0.00 0.41 -0.55 0.00 0.00 175.29 174.25 1aia n GLY 227 N 4.09 0.32 0.30 2.59 0.00 -1.26 -4.73 105.19 106.50 1aia n GLY 227 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1aia n GLY 227 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1aia n PHE 228 N -1.67 0.00 -0.03 1.61 3.01 -0.45 -4.31 117.46 115.62 1aia n PHE 228 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.43 1aia n PHE 228 Cb 0.00 -0.06 -0.01 0.00 -0.01 0.00 0.00 39.48 39.40 1aia n PHE 228 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1aia n ALA 229 N -0.57 0.79 0.00 4.37 0.00 -1.26 -3.35 120.51 120.48 1aia n ALA 229 Ca 0.09 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1aia n ALA 229 Cb 0.40 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1aia n ALA 229 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1aia n ARG 230 N -3.30 2.84 0.00 0.00 0.63 -1.26 -4.85 116.66 110.72 1aia n ARG 230 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 1aia n ARG 230 Cb 0.19 -0.87 0.00 0.00 0.45 0.00 0.00 32.46 32.23 1aia n ARG 230 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1aia n GLY 231 N 2.38 2.38 0.20 5.14 0.00 -1.26 -4.92 105.19 109.11 1aia n GLY 231 Ca 0.00 -0.94 -0.08 0.00 0.00 0.00 0.00 46.02 44.99 1aia n GLY 231 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1aia h LEU 233 N 0.00 -0.48 0.02 0.99 4.07 -1.91 -1.59 115.31 116.41 1aia h LEU 233 Ca 0.00 0.10 -0.18 0.00 0.08 0.00 0.00 57.88 57.88 1aia h LEU 233 Cb 0.00 0.24 0.02 0.00 1.08 0.00 0.00 40.66 42.00 1aia h LEU 233 CO 0.00 -0.19 -0.73 -0.33 -1.08 0.00 0.00 178.44 176.11 1aia h GLU 234 N -0.15 0.46 -0.96 1.13 4.39 -1.96 -3.28 114.58 114.22 1aia h GLU 234 Ca 0.12 -0.52 0.04 0.00 0.34 0.00 0.00 59.36 59.33 1aia h GLU 234 Cb 0.33 0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 29.08 1aia h GLU 234 CO -0.30 1.17 0.62 0.93 -1.16 0.00 0.00 179.01 180.28 1aia h GLU 235 N -0.02 1.17 0.00 2.33 3.07 -1.90 -1.59 114.58 117.64 1aia h GLU 235 Ca -0.10 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 1aia h GLU 235 Cb 1.44 -0.26 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 1aia h GLU 235 CO 0.14 0.77 0.00 -0.44 -1.40 0.00 0.00 179.01 178.09 1aia h ASP 236 N 1.20 0.00 -0.55 1.42 5.19 -1.39 -2.26 116.42 120.03 1aia h ASP 236 Ca 0.38 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.79 1aia h ASP 236 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1aia h ASP 236 CO -0.12 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.00 1aia n ALA 237 N -2.01 2.41 0.02 3.45 0.00 -0.60 -4.49 120.51 119.30 1aia n ALA 237 Ca -0.00 -1.06 0.01 0.00 0.00 0.00 0.00 53.44 52.39 1aia n ALA 237 Cb 0.22 -0.94 0.32 0.00 0.00 0.00 0.00 19.45 19.06 1aia n ALA 237 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1aia h GLU 238 N 3.87 0.47 0.28 0.00 5.08 -1.44 -0.71 114.58 122.14 1aia h GLU 238 Ca 0.00 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1aia h GLU 238 Cb 0.87 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1aia h GLU 238 CO 0.00 0.50 -0.13 0.78 -1.00 0.00 0.00 179.01 179.16 1aia h GLY 239 N 0.79 -0.39 0.52 -3.84 0.00 -1.82 0.12 103.07 98.45 1aia h GLY 239 Ca 0.10 0.15 0.07 0.00 0.00 0.00 0.00 47.33 47.65 1aia h GLY 239 CO 0.01 -0.14 0.21 -2.00 0.00 0.00 0.00 176.54 174.61 1aia h LEU 240 N -0.41 0.23 -1.18 3.11 5.85 -1.82 -2.25 115.31 118.83 1aia h LEU 240 Ca -0.04 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1aia h LEU 240 Cb 0.32 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1aia h LEU 240 CO 0.06 0.15 -0.11 0.03 -0.34 0.00 0.00 178.44 178.24 1aia h ARG 241 N 0.40 0.44 -0.48 1.25 -0.00 -0.91 0.82 114.38 115.90 1aia h ARG 241 Ca 0.26 -0.12 -0.09 0.00 -0.50 0.00 0.00 59.98 59.53 1aia h ARG 241 Cb 0.27 -0.05 -0.02 0.00 0.00 0.00 0.00 29.97 30.17 1aia h ARG 241 CO -0.25 0.55 -0.08 0.00 0.00 0.00 0.00 179.97 180.19 1aia h ALA 242 N 1.48 0.95 -0.20 0.04 0.00 -0.34 -2.57 119.26 118.62 1aia h ALA 242 Ca 0.08 -0.32 -0.18 0.00 0.00 0.00 0.00 54.91 54.49 1aia h ALA 242 Cb 0.44 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1aia h ALA 242 CO 0.02 0.62 -0.61 0.74 0.00 0.00 0.00 179.25 180.03 1aia h PHE 243 N 0.78 0.86 0.00 0.00 -1.00 -0.84 -3.23 116.94 113.50 1aia h PHE 243 Ca 0.13 -0.33 -0.03 0.00 2.81 0.00 0.00 57.97 60.56 1aia h PHE 243 Cb 0.59 -0.15 -0.00 0.00 3.61 0.00 0.00 35.95 39.99 1aia h PHE 243 CO 0.03 1.11 -0.12 0.00 -1.61 0.00 0.00 178.31 177.72 1aia h ALA 244 N 0.82 1.14 -0.00 2.45 0.00 -0.73 0.19 119.26 123.13 1aia h ALA 244 Ca -0.00 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 1aia h ALA 244 Cb 1.19 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1aia h ALA 244 CO 0.12 0.15 -0.88 0.00 0.00 0.00 0.00 179.25 178.64 1aia h ALA 245 N 1.88 0.48 0.00 0.00 0.00 -1.48 -3.35 119.26 116.78 1aia h ALA 245 Ca -0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1aia h ALA 245 Cb 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1aia h ALA 245 CO 0.02 0.87 -1.42 -1.33 0.00 0.00 0.00 179.25 177.38 1aia n MET 246 N -3.70 0.44 -3.93 0.00 2.81 -0.75 -4.98 117.12 107.02 1aia n MET 246 Ca -0.05 -0.09 -0.32 0.00 -1.81 0.00 0.00 57.70 55.43 1aia n MET 246 Cb 0.80 -1.48 -0.05 0.00 -0.71 0.00 0.00 33.22 31.79 1aia n MET 246 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 1aia s HIS 247 N -3.17 3.51 -0.02 2.03 3.76 -0.02 -4.97 115.29 116.41 1aia s HIS 247 Ca 0.01 0.29 -0.14 0.00 -0.15 0.00 0.00 55.06 55.07 1aia s HIS 247 Cb 0.14 -1.79 -0.33 0.00 1.11 0.00 0.00 32.58 31.72 1aia s HIS 247 CO 0.85 0.61 0.79 0.87 -0.85 0.00 0.00 174.74 177.02 1aia h LYS 248 N 3.47 0.44 -6.06 1.40 1.79 -1.90 -3.47 116.57 112.25 1aia h LYS 248 Ca -0.47 -0.75 -0.54 0.00 -2.18 0.00 0.00 60.65 56.70 1aia h LYS 248 Cb 1.17 0.28 -0.20 0.00 -1.58 0.00 0.00 32.23 31.91 1aia h LYS 248 CO 0.72 1.36 -0.80 -1.21 -1.08 0.00 0.00 179.45 178.44 1aia s GLU 249 N -2.57 1.21 -0.22 3.15 2.02 -1.26 -2.44 118.70 118.58 1aia s GLU 249 Ca -0.14 -1.30 -0.28 0.00 0.02 0.00 0.00 54.97 53.27 1aia s GLU 249 Cb 0.05 -1.37 0.14 0.00 0.10 0.00 0.00 34.13 33.04 1aia s GLU 249 CO 0.88 0.30 1.09 -1.17 0.02 0.00 0.00 175.26 176.38 1aia s LEU 250 N -2.33 -0.32 -0.02 1.80 0.20 -1.04 -4.65 118.68 112.32 1aia s LEU 250 Ca 0.12 0.47 0.05 0.00 0.69 0.00 0.00 54.13 55.46 1aia s LEU 250 Cb -0.08 1.70 -0.01 0.00 -0.43 0.00 0.00 46.19 47.37 1aia s LEU 250 CO 0.06 -0.22 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.10 1aia s ILE 251 N -0.59 1.37 -0.09 6.68 1.01 -0.82 -0.96 121.20 127.80 1aia s ILE 251 Ca 0.02 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 59.95 1aia s ILE 251 Cb -0.02 -1.15 0.02 0.00 0.01 0.00 0.00 42.46 41.32 1aia s ILE 251 CO -0.04 0.39 -0.12 -0.69 0.00 0.00 0.00 174.94 174.48 1aia s VAL 252 N -0.36 1.24 -0.30 2.92 1.01 -0.00 -1.05 120.40 123.86 1aia s VAL 252 Ca 0.06 -0.50 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 1aia s VAL 252 Cb -0.07 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.16 1aia s VAL 252 CO -0.00 0.39 0.08 0.00 0.00 0.00 0.00 175.10 175.57 1aia s ALA 253 N 0.98 3.06 0.28 5.51 0.00 -0.08 -0.50 121.76 131.01 1aia s ALA 253 Ca -0.08 -1.47 0.12 0.00 0.00 0.00 0.00 51.96 50.53 1aia s ALA 253 Cb -0.15 -2.15 -0.05 0.00 0.00 0.00 0.00 23.12 20.77 1aia s ALA 253 CO -0.00 -0.95 -0.19 -1.54 0.00 0.00 0.00 175.76 173.08 1aia s SER 254 N 1.49 3.62 0.07 0.00 1.04 -0.37 -0.40 113.70 119.15 1aia s SER 254 Ca 0.02 -1.04 0.07 0.00 0.48 0.00 0.00 55.95 55.49 1aia s SER 254 Cb -0.17 -0.32 -0.03 0.00 0.10 0.00 0.00 66.02 65.60 1aia s SER 254 CO 0.02 0.02 -0.19 -0.55 0.98 0.00 0.00 173.24 173.52 1aia s SER 255 N -3.52 2.29 -0.13 7.02 0.15 -0.87 -0.91 113.70 117.73 1aia s SER 255 Ca 0.30 -0.58 0.15 0.00 0.70 0.00 0.00 55.95 56.53 1aia s SER 255 Cb -0.04 -0.15 0.41 0.00 -1.71 0.00 0.00 66.02 64.52 1aia s SER 255 CO 0.15 0.08 1.31 -1.22 1.20 0.00 0.00 173.24 174.77 1aia n TYR 256 N 1.54 0.61 -0.17 3.44 4.01 -0.26 -4.69 117.16 121.64 1aia n TYR 256 Ca -0.18 -0.81 -0.06 0.00 -0.16 0.00 0.00 57.90 56.69 1aia n TYR 256 Cb 0.54 -0.21 0.11 0.00 -0.31 0.00 0.00 39.34 39.47 1aia n TYR 256 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1aia h SER 257 N 1.35 0.90 0.03 7.72 0.02 -1.86 -3.21 113.55 118.51 1aia h SER 257 Ca 0.00 -0.21 -0.35 0.00 -0.84 0.00 0.00 61.79 60.39 1aia h SER 257 Cb 1.17 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 63.42 1aia h SER 257 CO 0.12 0.92 -2.00 1.41 -1.14 0.00 0.00 176.83 176.14 1aia n HIS 258 N -4.22 0.64 1.23 3.45 8.25 -1.26 -2.45 115.22 120.86 1aia n HIS 258 Ca 0.04 0.20 0.13 0.00 -0.26 0.00 0.00 57.72 57.83 1aia n HIS 258 Cb 0.29 -1.07 0.67 0.00 1.12 0.00 0.00 29.99 30.99 1aia n HIS 258 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1aia n ASN 259 N -3.93 0.00 0.00 0.41 2.04 -1.26 -3.15 115.26 109.37 1aia n ASN 259 Ca -0.40 -0.02 0.00 0.00 -0.44 0.00 0.00 54.58 53.72 1aia n ASN 259 Cb 0.88 -0.32 0.00 0.00 -2.53 0.00 0.00 39.78 37.82 1aia n ASN 259 CO 0.00 0.00 0.00 0.49 -0.44 0.00 0.00 177.26 177.31 1aia n PHE 260 N -1.32 0.00 -3.31 -2.53 3.72 -1.21 -4.82 117.46 108.00 1aia n PHE 260 Ca 0.12 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.28 1aia n PHE 260 Cb 0.23 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.81 1aia n PHE 260 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aia n GLY 261 N 0.34 -0.53 1.45 1.37 0.00 -1.09 -4.63 105.19 102.11 1aia n GLY 261 Ca 0.00 0.17 -0.05 0.00 0.00 0.00 0.00 46.02 46.14 1aia n GLY 261 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1aia n LEU 262 N -4.36 4.92 -0.34 0.99 4.32 -1.02 -4.79 117.00 116.70 1aia n LEU 262 Ca -0.05 -3.49 -0.07 0.00 -0.02 0.00 0.00 56.01 52.38 1aia n LEU 262 Cb 0.59 -0.67 -0.05 0.00 -1.62 0.00 0.00 43.42 41.66 1aia n LEU 262 CO 0.56 1.02 0.43 -1.22 -1.22 0.00 0.00 177.39 176.95 1aia n TYR 263 N -0.82 -0.26 1.42 -1.77 4.01 -1.22 -1.85 117.16 116.67 1aia n TYR 263 Ca 0.37 1.05 0.06 0.00 -0.16 0.00 0.00 57.90 59.22 1aia n TYR 263 Cb 1.19 -0.64 0.23 0.00 -0.31 0.00 0.00 39.34 39.81 1aia n TYR 263 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1aia n ASN 264 N -5.10 1.06 -0.03 7.72 0.23 -1.26 -3.47 115.26 114.40 1aia n ASN 264 Ca 0.04 -1.84 0.11 0.00 -0.53 0.00 0.00 54.58 52.35 1aia n ASN 264 Cb 0.25 -0.11 0.03 0.00 -2.08 0.00 0.00 39.78 37.87 1aia n ASN 264 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1aia n GLU 265 N 0.01 0.08 -2.72 -3.83 -0.58 -0.77 -5.02 120.64 107.81 1aia n GLU 265 Ca 0.10 -0.06 -0.05 0.00 -0.42 0.00 0.00 57.16 56.73 1aia n GLU 265 Cb 0.19 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.57 1aia n GLU 265 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1aia n ARG 266 N -1.41 -1.78 -4.01 3.49 5.12 -1.23 -4.47 116.66 112.38 1aia n ARG 266 Ca 0.05 1.74 -0.31 0.00 -1.93 0.00 0.00 57.85 57.40 1aia n ARG 266 Cb 0.34 -5.14 -0.16 0.00 -1.16 0.00 0.00 32.46 26.34 1aia n ARG 266 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1aia s VAL 267 N -2.58 1.75 0.40 1.55 1.01 -1.26 -2.64 120.40 118.62 1aia s VAL 267 Ca 0.15 -1.17 -0.14 0.00 0.00 0.00 0.00 61.98 60.81 1aia s VAL 267 Cb -0.04 -1.85 0.06 0.00 0.00 0.00 0.00 36.38 34.54 1aia s VAL 267 CO 0.66 0.09 0.78 0.61 0.00 0.00 0.00 175.10 177.25 1aia n GLY 268 N 4.63 1.02 3.16 4.51 0.00 -1.12 -1.11 105.19 116.29 1aia n GLY 268 Ca -0.14 -1.27 -0.11 0.00 0.00 0.00 0.00 46.02 44.49 1aia n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aia s ALA 269 N -2.11 -0.46 -0.23 4.61 0.00 -0.09 -1.32 121.76 122.17 1aia s ALA 269 Ca 0.16 -0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.08 1aia s ALA 269 Cb -0.05 0.16 0.05 0.00 0.00 0.00 0.00 23.12 23.28 1aia s ALA 269 CO 0.12 -0.27 -0.12 0.00 0.00 0.00 0.00 175.76 175.50 1aia s THR 271 N 1.25 4.51 -0.22 0.00 2.01 0.34 -1.23 115.64 122.30 1aia s THR 271 Ca -0.04 -0.14 -0.06 0.00 0.31 0.00 0.00 61.69 61.76 1aia s THR 271 Cb -0.18 -3.01 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 1aia s THR 271 CO -0.07 0.47 0.04 -0.22 -0.69 0.00 0.00 174.62 174.15 1aia s LEU 272 N 0.33 3.40 0.01 4.42 0.20 -0.11 -0.82 118.68 126.10 1aia s LEU 272 Ca 0.01 -0.17 0.08 0.00 0.69 0.00 0.00 54.13 54.74 1aia s LEU 272 Cb -0.13 -1.89 -0.02 0.00 -0.43 0.00 0.00 46.19 43.72 1aia s LEU 272 CO 0.01 0.03 -0.25 0.68 -0.29 0.00 0.00 176.35 176.53 1aia s VAL 273 N 1.22 2.17 0.25 1.68 -7.23 -0.14 -1.27 120.40 117.09 1aia s VAL 273 Ca 0.04 -1.22 0.03 0.00 -1.81 0.00 0.00 61.98 59.02 1aia s VAL 273 Cb -0.15 -1.80 -0.05 0.00 0.56 0.00 0.00 36.38 34.94 1aia s VAL 273 CO 0.02 0.48 0.03 0.00 -0.31 0.00 0.00 175.10 175.32 1aia s ALA 274 N -0.72 1.83 0.63 1.32 0.00 -0.79 -2.49 121.76 121.54 1aia s ALA 274 Ca 0.11 -1.82 0.28 0.00 0.00 0.00 0.00 51.96 50.54 1aia s ALA 274 Cb -0.10 0.65 1.51 0.00 0.00 0.00 0.00 23.12 25.18 1aia s ALA 274 CO 0.01 -0.32 1.88 0.00 0.00 0.00 0.00 175.76 177.34 1aia h ALA 275 N 2.42 1.78 -2.73 0.00 0.00 -1.79 -3.44 119.26 115.50 1aia h ALA 275 Ca -0.38 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.62 1aia h ALA 275 Cb 1.23 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1aia h ALA 275 CO 0.64 -0.54 0.35 0.16 0.00 0.00 0.00 179.25 179.86 1aia s ASP 276 N -4.81 -0.18 0.14 0.00 1.47 -1.26 -5.02 116.67 107.02 1aia s ASP 276 Ca -0.04 -0.61 -0.24 0.00 1.18 0.00 0.00 52.55 52.84 1aia s ASP 276 Cb 0.12 0.64 -0.00 0.00 -0.34 0.00 0.00 42.92 43.34 1aia s ASP 276 CO 0.41 -1.21 1.62 -1.28 0.68 0.00 0.00 175.17 175.39 1aia h SER 277 N 2.00 -0.85 -0.59 2.11 0.87 -1.75 -1.22 113.55 114.12 1aia h SER 277 Ca -0.23 0.14 -0.05 0.00 -1.23 0.00 0.00 61.79 60.42 1aia h SER 277 Cb 1.24 0.38 -0.03 0.00 -0.44 0.00 0.00 62.40 63.55 1aia h SER 277 CO 0.27 -0.31 0.20 -0.08 -0.53 0.00 0.00 176.83 176.38 1aia h GLU 278 N -0.32 0.94 -0.24 2.24 4.81 -1.95 -1.83 114.58 118.23 1aia h GLU 278 Ca 0.11 -0.18 -0.17 0.00 -0.13 0.00 0.00 59.36 58.99 1aia h GLU 278 Cb 0.49 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1aia h GLU 278 CO -0.35 0.81 -0.50 1.15 -0.73 0.00 0.00 179.01 179.38 1aia h THR 279 N 0.92 1.29 -0.12 0.32 2.02 -1.90 -2.78 112.91 112.66 1aia h THR 279 Ca 0.21 -1.71 -0.05 0.00 0.77 0.00 0.00 66.41 65.63 1aia h THR 279 Cb 0.25 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 1aia h THR 279 CO -0.01 0.55 -0.14 -0.37 0.37 0.00 0.00 175.52 175.92 1aia h VAL 280 N 0.52 1.17 0.00 3.16 -1.51 -0.95 -1.48 116.25 117.15 1aia h VAL 280 Ca 0.01 -0.75 -0.13 0.00 -1.23 0.00 0.00 66.70 64.60 1aia h VAL 280 Cb 1.11 1.23 -0.02 0.00 -2.13 0.00 0.00 31.29 31.49 1aia h VAL 280 CO 0.11 0.23 -0.62 0.44 -1.23 0.00 0.00 177.57 176.50 1aia h ASP 281 N 0.18 0.00 0.08 4.19 3.32 -1.22 -0.05 116.42 122.93 1aia h ASP 281 Ca 0.04 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.95 1aia h ASP 281 Cb 0.36 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.93 1aia h ASP 281 CO 0.02 0.62 -0.61 -0.09 -1.72 0.00 0.00 179.24 177.47 1aia h ARG 282 N 0.00 0.27 -0.30 3.56 2.43 -1.26 -2.43 114.38 116.64 1aia h ARG 282 Ca -0.01 -0.40 -0.10 0.00 -0.81 0.00 0.00 59.98 58.67 1aia h ARG 282 Cb 1.11 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 1aia h ARG 282 CO 0.08 1.15 -0.23 0.00 -1.51 0.00 0.00 179.97 179.47 1aia h ALA 283 N 0.13 1.04 0.00 2.80 0.00 -1.33 -3.18 119.26 118.71 1aia h ALA 283 Ca -0.10 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1aia h ALA 283 Cb 1.43 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1aia h ALA 283 CO 0.12 0.58 -0.17 0.35 0.00 0.00 0.00 179.25 180.12 1aia h PHE 284 N 0.51 0.00 -0.01 0.00 3.57 -1.02 -2.42 116.94 117.58 1aia h PHE 284 Ca 0.08 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.48 1aia h PHE 284 Cb 0.67 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 1aia h PHE 284 CO 0.03 0.17 -0.45 0.66 -2.23 0.00 0.00 178.31 176.48 1aia h SER 285 N 0.00 0.02 0.84 0.41 4.64 -1.41 -1.25 113.55 116.79 1aia h SER 285 Ca -0.00 -0.01 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 1aia h SER 285 Cb 0.80 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.87 1aia h SER 285 CO 0.02 0.47 -1.09 1.56 -0.87 0.00 0.00 176.83 176.92 1aia h GLN 286 N 0.01 0.12 -0.74 4.77 1.08 -1.57 -2.25 115.11 116.53 1aia h GLN 286 Ca -0.00 -0.20 -0.03 0.00 -1.45 0.00 0.00 58.65 56.97 1aia h GLN 286 Cb 0.81 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.28 1aia h GLN 286 CO 0.06 1.09 0.32 1.98 -0.95 0.00 0.00 178.83 181.33 1aia h MET 287 N 0.03 1.07 -0.23 1.46 4.05 -1.20 -2.28 114.93 117.83 1aia h MET 287 Ca -0.06 -0.17 -0.19 0.00 -0.28 0.00 0.00 59.70 59.00 1aia h MET 287 Cb 1.84 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 32.46 1aia h MET 287 CO 0.16 0.85 -0.61 0.87 0.23 0.00 0.00 176.91 178.41 1aia h LYS 288 N 1.06 0.79 -0.41 0.39 1.57 -1.22 -2.46 116.57 116.28 1aia h LYS 288 Ca 0.25 -0.54 0.04 0.00 -1.87 0.00 0.00 60.65 58.53 1aia h LYS 288 Cb 0.16 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1aia h LYS 288 CO -0.03 1.16 0.28 0.00 -0.57 0.00 0.00 179.45 180.29 1aia h ALA 289 N 0.72 1.87 -0.13 3.86 0.00 -1.29 -1.23 119.26 123.05 1aia h ALA 289 Ca -0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1aia h ALA 289 Cb 1.21 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1aia h ALA 289 CO 0.13 0.07 -0.40 0.00 0.00 0.00 0.00 179.25 179.05 1aia h ALA 290 N 1.77 1.09 -0.14 0.00 0.00 -0.96 -2.95 119.26 118.06 1aia h ALA 290 Ca 0.17 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1aia h ALA 290 Cb 0.17 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1aia h ALA 290 CO -0.04 0.59 -0.19 0.82 0.00 0.00 0.00 179.25 180.43 1aia h ILE 291 N 0.24 1.36 -0.66 0.00 2.04 -0.98 -3.20 117.51 116.30 1aia h ILE 291 Ca 0.02 -1.40 0.07 0.00 1.00 0.00 0.00 64.86 64.55 1aia h ILE 291 Cb 0.81 1.96 -0.04 0.00 -0.74 0.00 0.00 36.82 38.80 1aia h ILE 291 CO 0.06 0.41 0.44 -0.09 0.00 0.00 0.00 178.15 178.97 1aia h ARG 292 N -0.02 0.62 -0.42 2.37 9.65 -1.26 -0.43 114.38 124.88 1aia h ARG 292 Ca 0.02 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1aia h ARG 292 Cb 0.75 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 1aia h ARG 292 CO 0.04 0.41 0.00 0.00 2.80 0.00 0.00 179.97 183.22 1aia n ALA 293 N -2.47 2.43 -0.57 2.80 0.00 -1.12 -3.41 120.51 118.17 1aia n ALA 293 Ca 0.10 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1aia n ALA 293 Cb 0.26 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1aia n ALA 293 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1aia n ASN 294 N 0.74 0.00 -0.03 0.00 2.85 -0.30 -4.94 115.26 113.58 1aia n ASN 294 Ca 0.14 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.62 1aia n ASN 294 Cb 0.36 -0.04 0.01 0.00 1.24 0.00 0.00 39.78 41.34 1aia n ASN 294 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1aia n TYR 295 N -1.69 0.01 0.00 1.20 0.18 -0.53 -5.04 117.16 111.28 1aia n TYR 295 Ca 0.00 -0.16 0.00 0.00 1.88 0.00 0.00 57.90 59.62 1aia n TYR 295 Cb 0.00 -0.02 0.00 0.00 -0.38 0.00 0.00 39.34 38.94 1aia n TYR 295 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1aia n SER 296 N -0.11 0.00 -3.43 9.48 2.88 -0.44 -4.81 113.62 117.18 1aia n SER 296 Ca 0.01 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.42 1aia n SER 296 Cb 0.10 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.53 1aia n SER 296 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1aia s ASN 297 N 0.00 -0.58 0.41 -3.46 2.20 -1.26 -4.16 114.94 108.09 1aia s ASN 297 Ca 0.00 0.10 -0.02 0.00 -0.94 0.00 0.00 52.86 52.00 1aia s ASN 297 Cb 0.00 0.59 -0.03 0.00 -2.00 0.00 0.00 41.25 39.81 1aia s ASN 297 CO 0.00 -0.92 0.65 -2.16 -2.94 0.00 0.00 177.10 171.73 1aia s PRO 298 N -3.40 3.44 -0.22 3.55 0.04 -1.26 -5.03 135.00 132.12 1aia s PRO 298 Ca -0.01 -0.16 -0.36 0.00 0.04 0.00 0.00 61.00 60.51 1aia s PRO 298 Cb -0.01 -2.54 -0.12 0.00 0.04 0.00 0.00 34.50 31.87 1aia s PRO 298 CO -0.10 -0.04 1.96 -2.30 0.04 0.00 0.00 177.00 176.56 1aia n PRO 299 N -2.00 1.59 0.07 0.56 -0.02 -1.26 -4.81 135.00 129.12 1aia n PRO 299 Ca -0.02 0.54 -0.14 0.00 -2.02 0.00 0.00 63.50 61.86 1aia n PRO 299 Cb 0.56 -2.49 -0.05 0.00 -0.02 0.00 0.00 33.50 31.50 1aia n PRO 299 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aia h ALA 300 N 9.98 0.35 0.57 3.55 0.00 -1.95 -3.37 119.26 128.38 1aia h ALA 300 Ca -0.41 -0.71 -0.03 0.00 0.00 0.00 0.00 54.91 53.75 1aia h ALA 300 Cb 1.30 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.08 1aia h ALA 300 CO 0.97 0.82 -0.28 1.25 0.00 0.00 0.00 179.25 182.01 1aia h HIS 301 N 0.23 -0.72 -0.46 0.00 -0.00 -1.92 0.27 115.15 112.55 1aia h HIS 301 Ca -0.08 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.26 1aia h HIS 301 Cb 1.60 0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 29.22 1aia h HIS 301 CO 0.06 -0.44 0.23 0.78 -0.00 0.00 0.00 177.93 178.56 1aia h GLY 302 N -0.78 0.71 2.00 5.26 0.00 -1.78 -1.46 103.07 107.02 1aia h GLY 302 Ca -0.08 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 1aia h GLY 302 CO 0.13 0.33 -0.38 0.00 0.00 0.00 0.00 176.54 176.62 1aia h ALA 303 N 1.08 1.11 -0.48 3.60 0.00 -1.69 -2.35 119.26 120.53 1aia h ALA 303 Ca 0.16 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1aia h ALA 303 Cb 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1aia h ALA 303 CO -0.02 0.47 -0.11 0.77 0.00 0.00 0.00 179.25 180.36 1aia h SER 304 N 0.00 0.87 -0.49 0.00 0.02 -0.48 -1.92 113.55 111.56 1aia h SER 304 Ca -0.00 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1aia h SER 304 Cb 0.80 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 1aia h SER 304 CO 0.05 1.00 0.29 0.58 -1.14 0.00 0.00 176.83 177.61 1aia h VAL 305 N 0.79 1.16 -0.69 2.27 2.07 -0.78 -1.41 116.25 119.66 1aia h VAL 305 Ca 0.13 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.20 1aia h VAL 305 Cb 0.63 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1aia h VAL 305 CO 0.04 0.16 0.13 0.58 0.02 0.00 0.00 177.57 178.51 1aia h VAL 306 N 0.65 1.26 -0.16 2.57 2.07 -1.00 -1.89 116.25 119.76 1aia h VAL 306 Ca 0.18 -1.02 -0.12 0.00 0.82 0.00 0.00 66.70 66.56 1aia h VAL 306 Cb 0.01 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1aia h VAL 306 CO -0.03 0.39 -0.42 0.00 0.02 0.00 0.00 177.57 177.52 1aia h ALA 307 N 1.06 0.99 -0.22 1.67 0.00 -1.23 -1.66 119.26 119.87 1aia h ALA 307 Ca 0.21 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1aia h ALA 307 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1aia h ALA 307 CO 0.01 0.62 -0.12 1.15 0.00 0.00 0.00 179.25 180.91 1aia h THR 308 N 0.30 1.31 0.62 0.00 2.02 -0.68 -2.24 112.91 114.24 1aia h THR 308 Ca 0.03 -1.21 -0.03 0.00 0.77 0.00 0.00 66.41 65.97 1aia h THR 308 Cb 0.87 1.63 0.01 0.00 -1.74 0.00 0.00 68.15 68.91 1aia h THR 308 CO 0.07 0.37 -0.30 0.40 0.37 0.00 0.00 175.52 176.43 1aia h ILE 309 N 0.18 0.33 -0.00 3.11 2.04 -1.27 -1.96 117.51 119.93 1aia h ILE 309 Ca 0.05 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1aia h ILE 309 Cb 0.63 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1aia h ILE 309 CO 0.04 0.02 0.00 -0.07 0.00 0.00 0.00 178.15 178.14 1aia h LEU 310 N -0.97 0.00 -0.00 1.44 3.38 -1.40 -2.22 115.31 115.54 1aia h LEU 310 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1aia h LEU 310 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1aia h LEU 310 CO 0.14 0.00 -0.96 -1.54 0.09 0.00 0.00 178.44 176.17 1aia n SER 311 N -3.79 0.96 -4.29 -0.43 3.41 -0.84 -4.78 113.62 103.85 1aia n SER 311 Ca -0.03 -0.98 -0.38 0.00 -0.26 0.00 0.00 58.87 57.22 1aia n SER 311 Cb 0.08 1.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.91 1aia n SER 311 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1aia s ASN 312 N -2.92 5.37 0.55 4.04 0.02 -0.75 -5.00 114.94 116.25 1aia s ASN 312 Ca 0.08 -1.09 0.28 0.00 -1.02 0.00 0.00 52.86 51.11 1aia s ASN 312 Cb 0.15 -1.89 1.46 0.00 0.02 0.00 0.00 41.25 40.99 1aia s ASN 312 CO 0.84 -0.33 1.96 0.44 0.02 0.00 0.00 177.10 180.03 1aia h ASP 313 N 8.25 0.00 0.39 -1.22 3.32 -1.87 0.04 116.42 125.34 1aia h ASP 313 Ca -0.24 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 1aia h ASP 313 Cb 1.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1aia h ASP 313 CO 0.61 0.00 -0.19 0.00 -1.72 0.00 0.00 179.24 177.94 1aia h ALA 314 N 1.63 -0.52 -0.77 3.45 0.00 -1.94 -2.75 119.26 118.35 1aia h ALA 314 Ca 0.26 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1aia h ALA 314 Cb 1.14 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 19.08 1aia h ALA 314 CO -0.00 -0.61 0.50 -0.07 0.00 0.00 0.00 179.25 179.07 1aia h LEU 315 N -0.89 0.72 -0.61 0.00 3.38 -1.56 -1.49 115.31 114.86 1aia h LEU 315 Ca -0.05 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 1aia h LEU 315 Cb 0.55 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1aia h LEU 315 CO 0.09 0.47 -0.49 -0.09 0.09 0.00 0.00 178.44 178.51 1aia h ARG 316 N 0.82 0.52 -0.37 1.13 2.43 -0.93 -0.28 114.38 117.69 1aia h ARG 316 Ca 0.33 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1aia h ARG 316 Cb 0.25 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1aia h ARG 316 CO -0.11 0.89 0.20 0.00 -1.51 0.00 0.00 179.97 179.43 1aia h ALA 317 N 1.06 0.48 -0.35 2.80 0.00 -0.99 0.15 119.26 122.42 1aia h ALA 317 Ca 0.02 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1aia h ALA 317 Cb 1.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1aia h ALA 317 CO 0.09 0.02 -0.21 0.82 0.00 0.00 0.00 179.25 179.97 1aia h ILE 318 N 0.47 1.29 -0.34 0.00 2.04 -1.15 -2.64 117.51 117.17 1aia h ILE 318 Ca 0.13 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.64 1aia h ILE 318 Cb 0.08 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1aia h ILE 318 CO -0.02 0.44 0.21 -0.25 0.00 0.00 0.00 178.15 178.53 1aia h TRP 319 N 0.54 0.44 -0.77 1.37 7.01 -0.60 -1.71 115.95 122.24 1aia h TRP 319 Ca 0.07 0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.14 1aia h TRP 319 Cb 0.76 -0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 27.63 1aia h TRP 319 CO 0.06 0.31 0.50 0.93 -2.79 0.00 0.00 178.44 177.45 1aia h GLU 320 N 0.45 0.78 -0.37 2.65 5.08 -0.66 0.14 114.58 122.64 1aia h GLU 320 Ca 0.12 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.31 1aia h GLU 320 Cb -0.01 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1aia h GLU 320 CO -0.02 0.52 -0.27 1.96 -1.00 0.00 0.00 179.01 180.19 1aia h GLN 321 N 0.81 0.85 -0.76 2.33 1.08 -1.05 -0.42 115.11 117.94 1aia h GLN 321 Ca 0.33 -0.41 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1aia h GLN 321 Cb 0.27 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.66 1aia h GLN 321 CO -0.12 1.05 0.46 0.93 -0.95 0.00 0.00 178.83 180.21 1aia h GLU 322 N 0.65 1.01 -0.19 1.46 5.08 -0.37 -0.92 114.58 121.29 1aia h GLU 322 Ca 0.07 -0.08 -0.18 0.00 -1.00 0.00 0.00 59.36 58.17 1aia h GLU 322 Cb 0.85 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1aia h GLU 322 CO 0.07 0.70 -0.60 1.25 -1.00 0.00 0.00 179.01 179.43 1aia h LEU 323 N 1.04 0.73 -0.76 1.33 5.85 -0.58 -2.29 115.31 120.62 1aia h LEU 323 Ca 0.27 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 1aia h LEU 323 Cb -0.06 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 1aia h LEU 323 CO -0.05 1.16 0.41 0.74 -0.34 0.00 0.00 178.44 180.36 1aia h THR 324 N 0.48 1.23 -0.53 1.05 2.02 -0.45 -0.64 112.91 116.08 1aia h THR 324 Ca -0.00 -0.59 -0.11 0.00 0.77 0.00 0.00 66.41 66.47 1aia h THR 324 Cb 1.18 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1aia h THR 324 CO 0.12 0.26 -0.10 0.44 0.37 0.00 0.00 175.52 176.61 1aia h ASP 325 N 1.06 1.01 -0.08 4.18 3.32 -1.15 -0.18 116.42 124.58 1aia h ASP 325 Ca 0.27 -0.35 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 1aia h ASP 325 Cb 0.05 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 1aia h ASP 325 CO -0.04 1.12 0.05 0.24 -1.72 0.00 0.00 179.24 178.89 1aia h MET 326 N 0.88 0.11 -0.71 3.56 2.86 -1.17 -1.19 114.93 119.28 1aia h MET 326 Ca 0.14 -0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.84 1aia h MET 326 Cb 0.66 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.24 1aia h MET 326 CO 0.05 0.15 0.40 -0.09 1.06 0.00 0.00 176.91 178.47 1aia h ARG 327 N 0.05 0.69 -0.08 1.72 2.43 -0.83 -2.67 114.38 115.69 1aia h ARG 327 Ca 0.03 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.03 1aia h ARG 327 Cb 0.06 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1aia h ARG 327 CO -0.00 0.46 -0.51 1.96 -1.51 0.00 0.00 179.97 180.36 1aia h GLN 328 N 0.71 0.20 -0.79 0.20 4.20 -0.95 -2.41 115.11 116.28 1aia h GLN 328 Ca 0.33 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.90 1aia h GLN 328 Cb 0.23 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 1aia h GLN 328 CO -0.20 0.67 0.42 -0.09 -0.67 0.00 0.00 178.83 178.96 1aia h ARG 329 N 0.16 1.10 -0.34 1.46 2.43 -0.88 -1.36 114.38 116.95 1aia h ARG 329 Ca 0.00 -0.14 -0.12 0.00 -0.81 0.00 0.00 59.98 58.92 1aia h ARG 329 Cb 0.96 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 1aia h ARG 329 CO 0.08 0.82 -0.25 0.82 -1.51 0.00 0.00 179.97 179.93 1aia h ILE 330 N 1.09 1.29 -0.83 1.20 2.04 -1.24 -1.86 117.51 119.21 1aia h ILE 330 Ca 0.28 -1.40 -0.01 0.00 1.00 0.00 0.00 64.86 64.73 1aia h ILE 330 Cb 0.05 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 1aia h ILE 330 CO -0.04 0.46 0.49 1.56 0.00 0.00 0.00 178.15 180.61 1aia h GLN 331 N 0.54 1.14 -0.34 2.37 4.20 -1.28 -1.86 115.11 119.86 1aia h GLN 331 Ca 0.06 -0.11 0.03 0.00 0.06 0.00 0.00 58.65 58.69 1aia h GLN 331 Cb 0.81 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 1aia h GLN 331 CO 0.07 0.81 0.16 0.00 -0.67 0.00 0.00 178.83 179.20 1aia h ARG 332 N 1.14 0.33 -0.07 1.46 -0.00 -1.03 -2.38 114.38 113.83 1aia h ARG 332 Ca 0.30 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.98 59.69 1aia h ARG 332 Cb -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 29.97 29.86 1aia h ARG 332 CO -0.05 0.22 -0.25 0.52 0.00 0.00 0.00 179.97 180.41 1aia h MET 333 N 0.34 0.12 0.04 0.04 2.86 -1.00 -0.48 114.93 116.86 1aia h MET 333 Ca 0.15 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1aia h MET 333 Cb 0.06 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1aia h MET 333 CO -0.11 0.36 -0.02 0.00 1.06 0.00 0.00 176.91 178.21 1aia h ARG 334 N 0.11 -0.05 -0.18 1.72 3.08 -1.03 0.32 114.38 118.34 1aia h ARG 334 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1aia h ARG 334 Cb 0.50 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1aia h ARG 334 CO 0.04 0.32 0.12 1.96 -1.07 0.00 0.00 179.97 181.33 1aia h GLN 335 N -0.44 0.24 0.00 0.04 7.50 -1.04 -2.71 115.11 118.71 1aia h GLN 335 Ca -0.01 -0.02 -0.04 0.00 0.50 0.00 0.00 58.65 59.09 1aia h GLN 335 Cb 0.40 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.87 1aia h GLN 335 CO 0.01 0.17 -0.20 1.25 -1.50 0.00 0.00 178.83 178.56 1aia h LEU 336 N 0.24 0.00 -0.00 1.46 5.85 -1.13 -0.59 115.31 121.14 1aia h LEU 336 Ca 0.07 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1aia h LEU 336 Cb -0.02 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 1aia h LEU 336 CO -0.01 0.20 -0.00 0.15 -0.34 0.00 0.00 178.44 178.44 1aia h PHE 337 N 0.00 0.01 0.00 1.25 3.57 -0.62 -2.28 116.94 118.87 1aia h PHE 337 Ca -0.00 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 1aia h PHE 337 Cb 0.40 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 1aia h PHE 337 CO 0.00 0.47 -0.57 -0.39 -2.23 0.00 0.00 178.31 175.59 1aia h VAL 338 N -0.46 1.29 0.00 1.41 -1.51 -1.15 -1.68 116.25 114.15 1aia h VAL 338 Ca 0.00 -2.02 -0.00 0.00 -1.23 0.00 0.00 66.70 63.45 1aia h VAL 338 Cb 0.47 2.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.75 1aia h VAL 338 CO 0.00 0.56 -0.00 0.78 -1.23 0.00 0.00 177.57 177.68 1aia h ASN 339 N 0.00 -0.00 -0.70 4.19 -0.26 -1.15 -1.49 115.58 116.17 1aia h ASN 339 Ca -0.01 -0.33 0.05 0.00 -0.56 0.00 0.00 56.30 55.46 1aia h ASN 339 Cb 1.08 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 38.30 1aia h ASN 339 CO 0.07 0.33 0.46 0.74 -1.06 0.00 0.00 177.43 177.98 1aia h THR 340 N -0.34 1.04 -0.30 2.81 2.02 -1.37 -0.92 112.91 115.86 1aia h THR 340 Ca -0.00 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 1aia h THR 340 Cb 0.33 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1aia h THR 340 CO 0.00 0.14 0.10 -0.07 0.37 0.00 0.00 175.52 176.06 1aia h LEU 341 N 0.76 0.42 -0.78 2.58 4.07 -0.88 0.68 115.31 122.16 1aia h LEU 341 Ca 0.30 -0.19 -0.02 0.00 0.08 0.00 0.00 57.88 58.04 1aia h LEU 341 Cb 0.20 -0.11 -0.04 0.00 1.08 0.00 0.00 40.66 41.79 1aia h LEU 341 CO -0.09 0.51 0.39 1.56 -1.08 0.00 0.00 178.44 179.72 1aia h GLN 342 N 0.32 1.11 -0.49 1.13 7.50 -0.37 0.74 115.11 125.05 1aia h GLN 342 Ca 0.10 -0.15 -0.05 0.00 0.50 0.00 0.00 58.65 59.04 1aia h GLN 342 Cb 0.23 -0.21 -0.02 0.00 0.05 0.00 0.00 27.48 27.53 1aia h GLN 342 CO -0.00 0.85 0.11 0.93 -1.50 0.00 0.00 178.83 179.22 1aia h GLU 343 N 1.10 0.78 0.00 1.46 5.08 -0.95 -3.11 114.58 118.94 1aia h GLU 343 Ca 0.27 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1aia h GLU 343 Cb 0.09 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1aia h GLU 343 CO -0.04 0.77 0.00 1.63 -1.00 0.00 0.00 179.01 180.37 1aia n LYS 344 N -4.46 0.99 0.00 2.33 4.76 0.21 -4.83 118.16 117.16 1aia n LYS 344 Ca 0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1aia n LYS 344 Cb 0.23 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 1aia n LYS 344 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1aia n GLY 345 N 0.93 1.26 3.64 0.72 0.00 -1.13 -4.99 105.19 105.62 1aia n GLY 345 Ca 0.21 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.76 1aia n GLY 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aia n ALA 346 N -0.74 1.09 -0.28 4.61 0.00 0.23 -4.84 120.51 120.58 1aia n ALA 346 Ca 0.00 0.16 0.33 0.00 0.00 0.00 0.00 53.44 53.94 1aia n ALA 346 Cb 0.00 -2.58 0.74 0.00 0.00 0.00 0.00 19.45 17.61 1aia n ALA 346 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1aia h ASN 347 N 10.53 0.00 -2.97 0.00 -1.24 -1.93 -3.44 115.58 116.53 1aia h ASN 347 Ca -0.45 0.00 -0.63 0.00 0.71 0.00 0.00 56.30 55.92 1aia h ASN 347 Cb 1.27 0.00 -0.16 0.00 0.73 0.00 0.00 38.32 40.16 1aia h ASN 347 CO 0.96 0.00 -0.77 -0.60 -1.29 0.00 0.00 177.43 175.73 1aia s ARG 348 N -4.94 1.79 -0.23 6.67 3.52 -1.26 -5.09 118.95 119.41 1aia s ARG 348 Ca -0.05 -1.44 -0.29 0.00 -0.13 0.00 0.00 55.73 53.82 1aia s ARG 348 Cb 0.22 -1.98 0.00 0.00 -1.56 0.00 0.00 34.95 31.64 1aia s ARG 348 CO 0.79 0.40 1.11 0.34 -0.81 0.00 0.00 175.30 177.14 1aia s ASP 349 N -2.87 7.02 -0.17 -2.12 2.15 -1.26 -4.89 116.67 114.52 1aia s ASP 349 Ca 0.24 1.40 0.17 0.00 0.43 0.00 0.00 52.55 54.79 1aia s ASP 349 Cb -0.08 -2.54 0.47 0.00 -0.30 0.00 0.00 42.92 40.47 1aia s ASP 349 CO 0.13 -0.74 1.36 0.49 -0.17 0.00 0.00 175.17 176.23 1aia n PHE 350 N 6.53 0.72 0.31 -5.34 3.01 -1.26 -4.78 117.46 116.65 1aia n PHE 350 Ca 0.13 -0.94 0.20 0.00 1.01 0.00 0.00 57.45 57.84 1aia n PHE 350 Cb 0.46 -0.28 1.00 0.00 -0.01 0.00 0.00 39.48 40.64 1aia n PHE 350 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1aia h SER 351 N 1.32 0.00 -0.06 4.37 4.64 -1.95 -2.59 113.55 119.28 1aia h SER 351 Ca 0.01 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.35 1aia h SER 351 Cb 1.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1aia h SER 351 CO 0.18 0.02 0.17 2.19 -0.87 0.00 0.00 176.83 178.52 1aia h PHE 352 N 0.00 0.00 -0.73 4.77 -5.15 -1.95 -2.09 116.94 111.80 1aia h PHE 352 Ca -0.00 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.75 1aia h PHE 352 Cb 0.18 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.32 1aia h PHE 352 CO 0.00 0.00 0.37 0.82 -2.00 0.00 0.00 178.31 177.50 1aia h ILE 353 N 0.00 1.23 0.00 0.88 1.08 -1.85 -1.92 117.51 116.93 1aia h ILE 353 Ca 0.03 -0.60 -0.06 0.00 -0.39 0.00 0.00 64.86 63.84 1aia h ILE 353 Cb 0.38 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 34.39 1aia h ILE 353 CO -0.00 0.26 -0.27 0.40 -0.69 0.00 0.00 178.15 177.85 1aia h ILE 354 N 1.03 0.76 0.00 -0.67 2.04 -1.60 -2.96 117.51 116.10 1aia h ILE 354 Ca 0.25 -1.12 -0.13 0.00 1.00 0.00 0.00 64.86 64.87 1aia h ILE 354 Cb 0.07 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1aia h ILE 354 CO -0.04 0.26 -0.60 0.11 0.00 0.00 0.00 178.15 177.88 1aia h LYS 355 N 0.00 0.00 -7.12 2.37 1.57 -1.45 -3.47 116.57 108.47 1aia h LYS 355 Ca -0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 1aia h LYS 355 Cb 0.67 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.03 1aia h LYS 355 CO 0.03 0.60 0.25 -0.65 -0.57 0.00 0.00 179.45 179.11 1aia s GLN 356 N -3.43 3.56 0.07 3.15 -0.21 -1.12 -4.97 119.66 116.72 1aia s GLN 356 Ca -0.00 0.44 0.09 0.00 0.02 0.00 0.00 55.36 55.91 1aia s GLN 356 Cb 0.11 -2.25 -0.03 0.00 1.00 0.00 0.00 33.01 31.85 1aia s GLN 356 CO 0.75 -0.37 -0.24 -0.80 -2.12 0.00 0.00 175.29 172.51 1aia s ASN 357 N -4.14 2.91 0.00 5.90 0.02 0.19 -5.00 114.94 114.82 1aia s ASN 357 Ca 0.51 -0.62 0.00 0.00 -1.02 0.00 0.00 52.86 51.73 1aia s ASN 357 Cb -0.11 -0.23 0.00 0.00 0.02 0.00 0.00 41.25 40.94 1aia s ASN 357 CO 0.49 0.18 0.00 0.61 0.02 0.00 0.00 177.10 178.40 1aia n GLY 358 N 1.49 -1.58 0.08 0.66 0.00 -1.21 -4.48 105.19 100.15 1aia n GLY 358 Ca -0.18 -1.42 0.12 0.00 0.00 0.00 0.00 46.02 44.55 1aia n GLY 358 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1aia h MET 359 N 0.00 0.00 -6.31 1.61 2.86 -1.93 -3.47 114.93 107.70 1aia h MET 359 Ca 0.00 0.00 -0.66 0.00 -2.06 0.00 0.00 59.70 56.98 1aia h MET 359 Cb 0.00 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 31.53 1aia h MET 359 CO 0.00 0.00 -0.67 -0.06 1.06 0.00 0.00 176.91 177.24 1aia s PHE 360 N -3.17 2.98 -0.02 -0.22 0.08 -1.26 -0.88 117.98 115.48 1aia s PHE 360 Ca 0.07 -0.01 -0.18 0.00 0.12 0.00 0.00 56.93 56.92 1aia s PHE 360 Cb 0.13 -1.57 0.03 0.00 -0.57 0.00 0.00 43.02 41.04 1aia s PHE 360 CO 0.70 0.46 0.39 -1.12 -0.10 0.00 0.00 175.22 175.55 1aia s SER 361 N -1.99 -0.30 -0.29 1.36 0.01 -0.90 -3.67 113.70 107.92 1aia s SER 361 Ca 0.23 0.24 -0.27 0.00 1.31 0.00 0.00 55.95 57.45 1aia s SER 361 Cb -0.12 0.37 0.01 0.00 0.21 0.00 0.00 66.02 66.49 1aia s SER 361 CO 0.14 -0.48 0.97 -0.36 0.41 0.00 0.00 173.24 173.92 1aia s PHE 362 N -1.28 3.21 0.17 2.43 0.08 -1.24 -0.79 117.98 120.57 1aia s PHE 362 Ca -0.13 1.13 0.35 0.00 0.12 0.00 0.00 56.93 58.40 1aia s PHE 362 Cb -0.04 -3.42 1.66 0.00 -0.57 0.00 0.00 43.02 40.64 1aia s PHE 362 CO 0.05 -0.62 2.04 0.66 -0.10 0.00 0.00 175.22 177.25 1aia h SER 363 N 7.94 0.00 -0.51 1.36 4.64 -1.41 -3.47 113.55 122.11 1aia h SER 363 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1aia h SER 363 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1aia h SER 363 CO 0.97 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.54 1aia n GLY 364 N -0.52 0.80 3.68 -0.77 0.00 -1.26 -5.07 105.19 102.04 1aia n GLY 364 Ca -0.01 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 1aia n GLY 364 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aia s LEU 365 N -0.51 3.37 0.62 0.99 1.02 -1.26 -5.11 118.68 117.80 1aia s LEU 365 Ca 0.00 -0.33 -0.13 0.00 0.02 0.00 0.00 54.13 53.69 1aia s LEU 365 Cb 0.00 -2.04 -0.03 0.00 0.02 0.00 0.00 46.19 44.14 1aia s LEU 365 CO 0.00 0.11 1.04 -0.89 0.02 0.00 0.00 176.35 176.63 1aia s THR 366 N -1.63 4.22 0.38 5.49 2.01 -1.26 -4.61 115.64 120.24 1aia s THR 366 Ca 0.27 0.85 0.08 0.00 0.31 0.00 0.00 61.69 63.20 1aia s THR 366 Cb -0.10 -3.56 0.30 0.00 0.01 0.00 0.00 72.50 69.16 1aia s THR 366 CO 0.19 -0.82 1.95 0.50 -0.69 0.00 0.00 174.62 175.75 1aia h LYS 367 N -0.09 0.65 0.03 4.92 3.11 -1.95 -1.50 116.57 121.74 1aia h LYS 367 Ca -0.45 -0.04 -0.22 0.00 -2.81 0.00 0.00 60.65 57.13 1aia h LYS 367 Cb 1.20 -0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 32.28 1aia h LYS 367 CO 0.59 0.43 -0.98 0.93 -2.81 0.00 0.00 179.45 177.61 1aia h GLU 368 N 0.67 0.26 -0.61 1.90 3.07 -1.92 -1.25 114.58 116.70 1aia h GLU 368 Ca 0.33 -0.32 -0.08 0.00 -0.50 0.00 0.00 59.36 58.79 1aia h GLU 368 Cb 0.39 0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 1aia h GLU 368 CO -0.11 1.05 0.07 1.96 -1.40 0.00 0.00 179.01 180.58 1aia h GLN 369 N 0.13 1.03 -0.82 2.33 4.20 -1.86 0.66 115.11 120.79 1aia h GLN 369 Ca -0.07 -0.30 -0.04 0.00 0.06 0.00 0.00 58.65 58.30 1aia h GLN 369 Cb 1.64 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 29.28 1aia h GLN 369 CO 0.16 0.98 0.35 0.28 -0.67 0.00 0.00 178.83 179.93 1aia h VAL 370 N 0.94 1.26 -0.25 -0.54 2.07 -1.05 -1.08 116.25 117.60 1aia h VAL 370 Ca 0.18 -0.79 -0.13 0.00 0.82 0.00 0.00 66.70 66.78 1aia h VAL 370 Cb 0.47 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1aia h VAL 370 CO 0.02 0.33 -0.39 -0.07 0.02 0.00 0.00 177.57 177.48 1aia h LEU 371 N 1.18 0.60 -0.24 2.57 3.38 -1.06 -2.62 115.31 119.13 1aia h LEU 371 Ca 0.28 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1aia h LEU 371 Cb 0.18 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1aia h LEU 371 CO -0.03 0.93 -0.05 0.03 0.09 0.00 0.00 178.44 179.42 1aia h ARG 372 N 0.47 0.01 -0.42 1.13 2.47 -0.30 -1.34 114.38 116.40 1aia h ARG 372 Ca 0.04 -0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1aia h ARG 372 Cb 0.89 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.18 1aia h ARG 372 CO 0.08 0.01 0.25 -0.07 0.56 0.00 0.00 179.97 180.79 1aia h LEU 373 N 0.02 0.52 0.09 3.04 3.38 -1.22 -1.12 115.31 120.02 1aia h LEU 373 Ca 0.11 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1aia h LEU 373 Cb 0.17 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1aia h LEU 373 CO -0.23 0.44 -0.13 0.03 0.09 0.00 0.00 178.44 178.63 1aia h ARG 374 N 0.56 -0.26 0.31 1.13 3.08 -0.96 -2.27 114.38 115.97 1aia h ARG 374 Ca 0.15 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 1aia h ARG 374 Cb 0.02 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1aia h ARG 374 CO -0.03 -0.17 -0.15 0.93 -1.07 0.00 0.00 179.97 179.48 1aia h GLU 375 N -0.27 -0.41 0.14 0.04 4.39 -1.25 -3.37 114.58 113.85 1aia h GLU 375 Ca 0.02 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1aia h GLU 375 Cb 0.28 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1aia h GLU 375 CO -0.06 -0.08 -0.07 0.93 -1.16 0.00 0.00 179.01 178.57 1aia h GLU 376 N -0.91 -0.18 0.00 2.33 4.39 -1.34 -3.47 114.58 115.39 1aia h GLU 376 Ca -0.04 0.01 -0.42 0.00 0.34 0.00 0.00 59.36 59.25 1aia h GLU 376 Cb 0.52 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1aia h GLU 376 CO 0.07 0.26 -0.09 1.19 -1.16 0.00 0.00 179.01 179.28 1aia n PHE 377 N -4.94 -2.06 1.59 4.33 3.72 -0.87 -5.02 117.46 114.21 1aia n PHE 377 Ca -0.08 -1.82 0.15 0.00 -0.05 0.00 0.00 57.45 55.64 1aia n PHE 377 Cb 0.27 -0.45 0.65 0.00 -0.94 0.00 0.00 39.48 39.01 1aia n PHE 377 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aia n GLY 378 N -0.88 -0.59 3.66 1.37 0.00 -1.25 -4.46 105.19 103.04 1aia n GLY 378 Ca 0.11 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 1aia n GLY 378 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aia s VAL 379 N -2.17 4.71 -0.26 1.61 1.01 -1.12 -2.19 120.40 121.98 1aia s VAL 379 Ca 0.37 2.02 -0.07 0.00 0.00 0.00 0.00 61.98 64.30 1aia s VAL 379 Cb 0.21 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 1aia s VAL 379 CO 0.40 -0.14 0.06 -0.31 0.00 0.00 0.00 175.10 175.10 1aia s TYR 380 N 2.95 3.08 0.12 5.22 1.51 -0.06 -1.83 117.35 128.34 1aia s TYR 380 Ca 0.44 -0.69 0.04 0.00 -1.01 0.00 0.00 57.07 55.85 1aia s TYR 380 Cb -0.16 -2.22 -0.04 0.00 -0.11 0.00 0.00 41.96 39.43 1aia s TYR 380 CO 0.08 -0.46 -0.09 0.00 -1.11 0.00 0.00 175.55 173.97 1aia s ALA 381 N 1.56 1.24 0.53 3.71 0.00 -1.26 0.09 121.76 127.62 1aia s ALA 381 Ca 0.05 -1.36 -0.20 0.00 0.00 0.00 0.00 51.96 50.45 1aia s ALA 381 Cb -0.16 0.06 -0.06 0.00 0.00 0.00 0.00 23.12 22.97 1aia s ALA 381 CO 0.02 -0.10 1.16 0.08 0.00 0.00 0.00 175.76 176.91 1aia s VAL 382 N -3.07 3.04 0.56 0.00 1.01 -1.15 -4.86 120.40 115.92 1aia s VAL 382 Ca 0.12 0.68 0.27 0.00 0.00 0.00 0.00 61.98 63.05 1aia s VAL 382 Cb 0.01 -3.30 0.38 0.00 0.00 0.00 0.00 36.38 33.48 1aia s VAL 382 CO -0.01 -0.10 2.00 0.00 0.00 0.00 0.00 175.10 176.99 1aia h ALA 383 N 1.37 2.25 0.00 5.51 0.00 -1.91 0.33 119.26 126.81 1aia h ALA 383 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1aia h ALA 383 Cb 1.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1aia h ALA 383 CO 0.57 -0.58 0.00 -1.13 0.00 0.00 0.00 179.25 178.12 1aia n SER 384 N -4.07 0.00 0.00 0.00 3.41 -1.26 -4.36 113.62 107.34 1aia n SER 384 Ca 0.07 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 1aia n SER 384 Cb 0.55 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1aia n SER 384 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aia n GLY 385 N -0.62 0.81 3.66 5.00 0.00 0.11 -4.87 105.19 109.28 1aia n GLY 385 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1aia n GLY 385 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1aia s ARG 386 N -0.24 4.19 0.21 1.61 3.52 -1.25 -1.01 118.95 125.99 1aia s ARG 386 Ca 0.00 2.13 0.09 0.00 -0.13 0.00 0.00 55.73 57.81 1aia s ARG 386 Cb 0.00 -3.94 -0.04 0.00 -1.56 0.00 0.00 34.95 29.41 1aia s ARG 386 CO 0.00 -0.82 -0.02 0.14 -0.81 0.00 0.00 175.30 173.79 1aia s VAL 387 N 3.90 3.48 -0.30 7.11 -7.23 0.03 -2.94 120.40 124.44 1aia s VAL 387 Ca 0.71 -1.69 -0.05 0.00 -1.81 0.00 0.00 61.98 59.14 1aia s VAL 387 Cb -0.32 -2.79 0.03 0.00 0.56 0.00 0.00 36.38 33.86 1aia s VAL 387 CO 0.28 -0.22 0.06 0.21 -0.31 0.00 0.00 175.10 175.12 1aia s ASN 388 N -3.23 5.06 0.44 4.85 3.04 -0.49 -2.11 114.94 122.50 1aia s ASN 388 Ca 0.28 -0.94 0.15 0.00 0.04 0.00 0.00 52.86 52.40 1aia s ASN 388 Cb -0.08 -1.83 1.00 0.00 -1.54 0.00 0.00 41.25 38.80 1aia s ASN 388 CO 0.18 -0.24 1.98 0.58 -3.04 0.00 0.00 177.10 176.56 1aia h VAL 389 N 6.07 1.11 0.00 -5.21 2.07 -1.34 -1.48 116.25 117.46 1aia h VAL 389 Ca -0.28 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1aia h VAL 389 Cb 1.10 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1aia h VAL 389 CO 0.59 0.20 0.00 0.00 0.02 0.00 0.00 177.57 178.38 1aia n ALA 390 N -2.48 1.45 1.03 1.67 0.00 -1.26 -1.77 120.51 119.15 1aia n ALA 390 Ca -0.02 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.51 1aia n ALA 390 Cb 0.27 -1.11 0.23 0.00 0.00 0.00 0.00 19.45 18.84 1aia n ALA 390 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aia n GLY 391 N -0.71 -1.15 3.82 0.00 0.00 -0.56 -3.93 105.19 102.65 1aia n GLY 391 Ca 0.03 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 1aia n GLY 391 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1aia s MET 392 N -2.94 4.07 0.16 1.61 -1.94 -0.73 -4.85 119.30 114.68 1aia s MET 392 Ca 0.12 0.56 0.07 0.00 -1.71 0.00 0.00 55.69 54.73 1aia s MET 392 Cb 0.18 -3.24 -0.04 0.00 2.01 0.00 0.00 34.83 33.73 1aia s MET 392 CO 0.69 0.63 -0.14 0.95 -0.01 0.00 0.00 175.02 177.14 1aia s THR 393 N -0.96 1.50 0.63 2.05 -4.23 -1.26 -4.92 115.64 108.44 1aia s THR 393 Ca 0.26 -1.98 0.32 0.00 -1.18 0.00 0.00 61.69 59.11 1aia s THR 393 Cb -0.18 -1.81 0.36 0.00 1.34 0.00 0.00 72.50 72.21 1aia s THR 393 CO 0.16 -0.53 2.06 1.55 -0.54 0.00 0.00 174.62 177.31 1aia h PRO 394 N 3.00 0.00 0.12 3.99 0.13 -1.98 -0.25 132.00 137.01 1aia h PRO 394 Ca -0.39 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.57 1aia h PRO 394 Cb 1.20 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.35 1aia h PRO 394 CO 0.57 0.00 -0.75 -0.44 -0.23 0.00 0.00 178.00 177.15 1aia h ASP 395 N 0.00 0.39 -0.02 1.44 5.19 -1.95 -3.32 116.42 118.14 1aia h ASP 395 Ca 0.06 -0.95 0.00 0.00 -0.62 0.00 0.00 57.03 55.52 1aia h ASP 395 Cb 0.56 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.95 1aia h ASP 395 CO -0.00 1.36 0.00 -0.46 -3.12 0.00 0.00 179.24 177.02 1aia n ASN 396 N -4.18 1.34 0.07 6.45 0.23 -0.84 -4.43 115.26 113.89 1aia n ASN 396 Ca -0.14 -1.46 -0.12 0.00 -0.53 0.00 0.00 54.58 52.33 1aia n ASN 396 Cb 0.78 -0.01 -0.05 0.00 -2.08 0.00 0.00 39.78 38.42 1aia n ASN 396 CO 0.00 0.00 0.00 -0.03 -0.93 0.00 0.00 177.26 176.30 1aia h MET 397 N 2.07 -0.21 0.03 -3.83 4.05 -1.17 -2.77 114.93 113.10 1aia h MET 397 Ca 0.00 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1aia h MET 397 Cb 0.44 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.29 1aia h MET 397 CO 0.00 -0.14 -0.01 0.00 0.23 0.00 0.00 176.91 176.99 1aia h ALA 398 N 0.71 -0.04 -0.45 0.39 0.00 -1.81 -2.20 119.26 115.87 1aia h ALA 398 Ca 0.03 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 54.95 1aia h ALA 398 Cb 0.25 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1aia h ALA 398 CO -0.09 -0.41 0.32 -1.00 0.00 0.00 0.00 179.25 178.07 1aia h PRO 399 N -0.25 0.03 -0.08 0.00 0.13 -1.85 -1.55 132.00 128.43 1aia h PRO 399 Ca -0.00 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.09 1aia h PRO 399 Cb 0.23 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.36 1aia h PRO 399 CO 0.01 0.02 -0.07 1.25 -0.23 0.00 0.00 178.00 178.98 1aia h LEU 400 N 0.03 0.20 -1.02 1.56 5.85 -1.35 -2.88 115.31 117.69 1aia h LEU 400 Ca 0.21 -0.46 -0.09 0.00 0.84 0.00 0.00 57.88 58.38 1aia h LEU 400 Cb 0.81 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 1aia h LEU 400 CO -0.01 0.62 -0.22 0.00 -0.34 0.00 0.00 178.44 178.49 1aia h GLU 402 N 0.39 1.03 -0.44 0.00 4.39 -1.35 -1.35 114.58 117.25 1aia h GLU 402 Ca 0.06 -0.29 -0.12 0.00 0.34 0.00 0.00 59.36 59.35 1aia h GLU 402 Cb 0.61 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1aia h GLU 402 CO 0.04 0.97 -0.20 0.00 -1.16 0.00 0.00 179.01 178.67 1aia h ALA 403 N 1.01 0.62 0.01 3.43 0.00 -1.25 -1.73 119.26 121.35 1aia h ALA 403 Ca 0.18 -0.38 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 1aia h ALA 403 Cb 0.46 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1aia h ALA 403 CO 0.02 0.58 -0.90 -0.84 0.00 0.00 0.00 179.25 178.11 1aia h ILE 404 N 0.74 1.58 -1.00 0.00 3.07 -1.11 -3.02 117.51 117.77 1aia h ILE 404 Ca 0.10 -2.89 0.04 0.00 1.55 0.00 0.00 64.86 63.66 1aia h ILE 404 Cb 0.77 2.60 -0.06 0.00 -0.27 0.00 0.00 36.82 39.85 1aia h ILE 404 CO 0.06 0.83 0.66 0.58 -1.05 0.00 0.00 178.15 179.23 1aia h VAL 405 N 0.04 1.15 0.00 0.16 2.07 -1.16 -1.51 116.25 117.00 1aia h VAL 405 Ca -0.03 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 1aia h VAL 405 Cb 1.57 -0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1aia h VAL 405 CO 0.13 0.23 -0.02 0.00 0.02 0.00 0.00 177.57 177.92 1aia h ALA 407 N 1.43 1.09 -0.02 1.67 0.00 -1.19 -2.33 119.26 119.91 1aia h ALA 407 Ca 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1aia h ALA 407 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1aia h ALA 407 CO -0.14 0.03 -0.15 1.33 0.00 0.00 0.00 179.25 180.32 1aia n VAL 408 N -3.24 0.00 1.01 0.00 0.24 -0.61 -5.09 118.33 110.63 1aia n VAL 408 Ca -0.02 -0.43 0.08 0.00 -2.04 0.00 0.00 64.34 61.93 1aia n VAL 408 Cb 0.16 1.31 0.48 0.00 -1.47 0.00 0.00 33.84 34.31 1aia n VAL 408 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87