#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b3l s ASP 2 N 0.00 5.21 -0.14 0.00 1.01 -1.26 -4.88 116.67 116.62 1b3l s ASP 2 Ca 0.00 -2.82 -0.29 0.00 0.71 0.00 0.00 52.55 50.14 1b3l s ASP 2 Cb 0.00 -1.85 -0.01 0.00 1.01 0.00 0.00 42.92 42.07 1b3l s ASP 2 CO 0.00 -0.37 1.18 -0.69 0.21 0.00 0.00 175.17 175.50 1b3l s VAL 3 N -0.02 4.39 0.25 -1.27 1.01 -1.26 -4.98 120.40 118.52 1b3l s VAL 3 Ca 0.16 1.69 -0.31 0.00 0.00 0.00 0.00 61.98 63.52 1b3l s VAL 3 Cb -0.20 -4.09 -0.13 0.00 0.00 0.00 0.00 36.38 31.96 1b3l s VAL 3 CO -0.03 -0.09 1.55 -2.65 0.00 0.00 0.00 175.10 173.88 1b3l n PRO 4 N 6.00 2.43 -1.72 2.72 -0.02 -1.26 -4.90 135.00 138.25 1b3l n PRO 4 Ca 0.12 0.87 -0.43 0.00 -2.02 0.00 0.00 63.50 62.04 1b3l n PRO 4 Cb 0.46 -2.62 -0.02 0.00 -0.02 0.00 0.00 33.50 31.30 1b3l n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1b3l n ALA 5 N 2.48 2.25 0.00 3.55 0.00 -1.26 -2.12 120.51 125.41 1b3l n ALA 5 Ca 0.12 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1b3l n ALA 5 Cb 0.34 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.35 1b3l n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b3l n GLY 6 N 2.84 0.66 3.81 0.00 0.00 -1.26 -5.09 105.19 106.16 1b3l n GLY 6 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1b3l n GLY 6 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b3l s VAL 7 N -2.00 5.04 -0.26 1.61 1.01 -0.90 -5.09 120.40 119.81 1b3l s VAL 7 Ca 0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 1b3l s VAL 7 Cb 0.00 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 1b3l s VAL 7 CO 0.00 0.52 0.17 -1.10 0.00 0.00 0.00 175.10 174.69 1b3l s GLN 8 N -1.28 3.99 0.11 2.72 -0.21 -1.26 -5.00 119.66 118.73 1b3l s GLN 8 Ca 0.18 -0.31 -0.24 0.00 0.02 0.00 0.00 55.36 55.01 1b3l s GLN 8 Cb -0.12 -3.60 -0.07 0.00 1.00 0.00 0.00 33.01 30.22 1b3l s GLN 8 CO 0.08 -0.08 0.73 -0.51 -2.12 0.00 0.00 175.29 173.38 1b3l s LEU 9 N 1.47 4.54 0.85 2.90 1.43 -1.26 -0.49 118.68 128.12 1b3l s LEU 9 Ca 0.07 1.51 -0.11 0.00 -1.03 0.00 0.00 54.13 54.58 1b3l s LEU 9 Cb -0.15 -3.19 0.11 0.00 0.03 0.00 0.00 46.19 42.99 1b3l s LEU 9 CO 0.08 0.18 1.13 0.00 0.23 0.00 0.00 176.35 177.97 1b3l s ALA 10 N -0.86 1.78 0.14 4.21 0.00 0.31 -4.48 121.76 122.86 1b3l s ALA 10 Ca 0.35 0.50 -0.10 0.00 0.00 0.00 0.00 51.96 52.72 1b3l s ALA 10 Cb -0.22 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.45 1b3l s ALA 10 CO 0.24 -2.37 1.40 -0.44 0.00 0.00 0.00 175.76 174.59 1b3l h ASP 11 N -1.51 0.88 -3.65 0.00 3.32 -1.95 -3.40 116.42 110.10 1b3l h ASP 11 Ca -0.43 -0.50 -0.66 0.00 0.02 0.00 0.00 57.03 55.45 1b3l h ASP 11 Cb 1.26 -0.26 -0.16 0.00 0.22 0.00 0.00 39.33 40.39 1b3l h ASP 11 CO 0.45 1.29 -0.22 -0.54 -1.72 0.00 0.00 179.24 178.50 1b3l s LYS 12 N -3.99 3.59 -1.04 3.56 1.02 -1.26 -5.01 119.74 116.62 1b3l s LYS 12 Ca -0.10 -0.33 -0.05 0.00 0.02 0.00 0.00 55.97 55.52 1b3l s LYS 12 Cb 0.10 -3.80 0.28 0.00 -0.52 0.00 0.00 37.83 33.89 1b3l s LYS 12 CO 0.88 -0.55 1.22 1.04 -0.92 0.00 0.00 175.35 177.03 1b3l n GLN 13 N 5.49 3.81 -4.18 1.68 1.13 -1.26 -4.92 117.38 119.12 1b3l n GLN 13 Ca -0.08 -4.52 -0.18 0.00 -1.94 0.00 0.00 57.00 50.28 1b3l n GLN 13 Cb 0.49 -2.50 -0.12 0.00 0.11 0.00 0.00 30.24 28.23 1b3l n GLN 13 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1b3l s THR 14 N -2.07 1.12 -0.02 5.09 -4.23 -1.26 -0.70 115.64 113.57 1b3l s THR 14 Ca 0.31 -1.38 -0.02 0.00 -1.18 0.00 0.00 61.69 59.43 1b3l s THR 14 Cb -0.01 -1.14 0.01 0.00 1.34 0.00 0.00 72.50 72.70 1b3l s THR 14 CO 0.00 -0.27 0.06 -0.22 -0.54 0.00 0.00 174.62 173.65 1b3l s LEU 15 N -1.87 1.70 -0.18 4.79 2.96 -0.82 -4.97 118.68 120.29 1b3l s LEU 15 Ca -0.00 0.11 0.01 0.00 -0.22 0.00 0.00 54.13 54.03 1b3l s LEU 15 Cb -0.09 0.17 0.02 0.00 0.50 0.00 0.00 46.19 46.80 1b3l s LEU 15 CO 0.02 -0.03 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.15 1b3l s VAL 16 N 0.15 1.98 -0.01 1.68 1.01 -1.26 -0.83 120.40 123.12 1b3l s VAL 16 Ca -0.01 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.08 1b3l s VAL 16 Cb -0.02 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 1b3l s VAL 16 CO -0.00 0.49 -0.11 -0.13 0.00 0.00 0.00 175.10 175.35 1b3l s ARG 17 N 1.31 2.45 0.19 2.72 0.52 -0.18 -1.03 118.95 124.93 1b3l s ARG 17 Ca 0.04 -0.76 -0.18 0.00 -0.52 0.00 0.00 55.73 54.31 1b3l s ARG 17 Cb -0.13 -2.41 -0.08 0.00 0.52 0.00 0.00 34.95 32.85 1b3l s ARG 17 CO -0.12 0.60 0.66 1.21 0.02 0.00 0.00 175.30 177.66 1b3l s ASN 18 N -1.22 6.98 0.00 0.23 2.47 -0.78 -1.45 114.94 121.17 1b3l s ASN 18 Ca 0.15 1.30 0.00 0.00 0.42 0.00 0.00 52.86 54.72 1b3l s ASN 18 Cb -0.11 -2.37 0.00 0.00 -1.45 0.00 0.00 41.25 37.32 1b3l s ASN 18 CO 0.05 0.08 0.93 -3.20 -3.72 0.00 0.00 177.10 171.23 1b3l n ASN 19 N 0.83 1.82 0.00 -4.21 5.15 0.27 -3.55 115.26 115.57 1b3l n ASN 19 Ca -0.04 -1.86 0.00 0.00 -0.60 0.00 0.00 54.58 52.08 1b3l n ASN 19 Cb 0.51 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.76 1b3l n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1b3l n GLY 20 N -0.43 1.93 3.87 8.20 0.00 -1.25 -4.58 105.19 112.93 1b3l n GLY 20 Ca 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 46.02 45.61 1b3l n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b3l s SER 21 N 0.00 -0.01 0.09 1.61 1.04 -1.25 -3.33 113.70 111.86 1b3l s SER 21 Ca 0.00 -0.70 -0.30 0.00 0.48 0.00 0.00 55.95 55.43 1b3l s SER 21 Cb 0.00 0.53 -0.06 0.00 0.10 0.00 0.00 66.02 66.59 1b3l s SER 21 CO 0.00 -1.05 1.03 -0.70 0.98 0.00 0.00 173.24 173.50 1b3l s GLU 22 N -2.25 4.61 0.70 4.02 2.56 -1.26 -4.48 118.70 122.60 1b3l s GLU 22 Ca 0.21 1.54 -0.15 0.00 0.00 0.00 0.00 54.97 56.57 1b3l s GLU 22 Cb -0.03 -3.37 0.02 0.00 2.00 0.00 0.00 34.13 32.75 1b3l s GLU 22 CO 0.06 0.06 1.17 0.14 -0.56 0.00 0.00 175.26 176.13 1b3l s VAL 23 N 0.31 2.65 0.17 3.70 -7.23 -1.26 -4.69 120.40 114.05 1b3l s VAL 23 Ca 0.50 0.32 -0.14 0.00 -1.81 0.00 0.00 61.98 60.85 1b3l s VAL 23 Cb -0.25 -2.88 0.05 0.00 0.56 0.00 0.00 36.38 33.87 1b3l s VAL 23 CO 0.30 -0.17 1.77 1.56 -0.31 0.00 0.00 175.10 178.25 1b3l h GLN 24 N -0.09 0.38 -1.89 4.82 4.20 -1.94 -3.48 115.11 117.11 1b3l h GLN 24 Ca -0.48 -0.02 0.25 0.00 0.06 0.00 0.00 58.65 58.47 1b3l h GLN 24 Cb 1.28 -0.09 -0.10 0.00 0.30 0.00 0.00 27.48 28.87 1b3l h GLN 24 CO 0.52 0.25 0.66 0.45 -0.67 0.00 0.00 178.83 180.04 1b3l s SER 25 N -5.43 -0.11 0.00 1.46 0.15 -1.26 -5.01 113.70 103.50 1b3l s SER 25 Ca -0.13 -0.27 0.15 0.00 0.70 0.00 0.00 55.95 56.39 1b3l s SER 25 Cb 0.13 0.32 0.02 0.00 -1.71 0.00 0.00 66.02 64.78 1b3l s SER 25 CO 0.72 -0.60 0.83 0.18 1.20 0.00 0.00 173.24 175.57 1b3l n LEU 26 N -0.49 1.65 -4.67 3.45 4.77 -1.26 -4.91 117.00 115.55 1b3l n LEU 26 Ca -0.07 -0.81 -0.43 0.00 -0.03 0.00 0.00 56.01 54.67 1b3l n LEU 26 Cb 0.62 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.69 1b3l n LEU 26 CO 0.13 0.31 0.92 -0.62 -1.33 0.00 0.00 177.39 176.80 1b3l s ASP 27 N -1.66 7.10 0.60 -1.43 -1.08 -1.26 -4.93 116.67 114.02 1b3l s ASP 27 Ca 0.13 1.48 0.32 0.00 -0.52 0.00 0.00 52.55 53.96 1b3l s ASP 27 Cb 0.12 -2.54 1.90 0.00 -1.46 0.00 0.00 42.92 40.94 1b3l s ASP 27 CO 0.33 -0.63 2.27 -0.65 0.52 0.00 0.00 175.17 177.01 1b3l h PRO 28 N 7.50 0.00 -0.00 4.34 0.11 -1.92 0.12 132.00 142.15 1b3l h PRO 28 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1b3l h PRO 28 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1b3l h PRO 28 CO 0.95 0.00 -0.07 0.72 -0.21 0.00 0.00 178.00 179.39 1b3l n HIS 29 N -3.76 0.00 -0.18 0.65 8.25 -1.26 -3.95 115.22 114.97 1b3l n HIS 29 Ca -0.03 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.48 1b3l n HIS 29 Cb 0.08 -0.13 0.15 0.00 1.12 0.00 0.00 29.99 31.21 1b3l n HIS 29 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1b3l n LYS 30 N -0.82 2.88 -4.40 -0.41 4.76 0.03 -4.32 118.16 115.89 1b3l n LYS 30 Ca 0.17 -2.04 -0.25 0.00 -2.87 0.00 0.00 58.31 53.32 1b3l n LYS 30 Cb 0.25 -1.26 -0.10 0.00 -1.84 0.00 0.00 35.03 32.08 1b3l n LYS 30 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1b3l s ILE 31 N -1.03 2.75 0.00 -0.18 -4.36 -1.23 -4.75 121.20 112.40 1b3l s ILE 31 Ca 0.22 -2.10 0.00 0.00 -0.26 0.00 0.00 60.65 58.51 1b3l s ILE 31 Cb 0.12 -2.41 0.00 0.00 1.25 0.00 0.00 42.46 41.42 1b3l s ILE 31 CO 0.15 -0.28 0.00 -1.84 0.24 0.00 0.00 174.94 173.21 1b3l n GLU 32 N -0.35 0.00 -3.89 0.37 0.28 -1.26 -4.66 120.64 111.13 1b3l n GLU 32 Ca -0.08 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.68 1b3l n GLU 32 Cb 0.58 -0.46 -0.04 0.00 1.43 0.00 0.00 31.44 32.95 1b3l n GLU 32 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1b3l s GLY 33 N 0.00 2.29 0.14 -1.84 0.00 -1.26 -5.02 107.32 101.64 1b3l s GLY 33 Ca 0.00 -1.81 -0.14 0.00 0.00 0.00 0.00 44.72 42.77 1b3l s GLY 33 CO 0.00 -1.85 1.60 -2.08 0.00 0.00 0.00 173.10 170.77 1b3l h VAL 34 N 1.14 1.25 -0.69 1.40 2.07 -1.99 -1.67 116.25 117.76 1b3l h VAL 34 Ca -0.41 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.14 1b3l h VAL 34 Cb 1.27 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 1b3l h VAL 34 CO 0.63 0.33 0.38 -0.65 0.02 0.00 0.00 177.57 178.28 1b3l h PRO 35 N 0.61 0.97 -0.30 1.57 0.11 -1.96 -1.20 132.00 131.80 1b3l h PRO 35 Ca 0.13 -0.12 0.04 0.00 0.11 0.00 0.00 66.00 66.16 1b3l h PRO 35 Cb 0.43 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 31.32 1b3l h PRO 35 CO 0.01 0.73 0.09 0.93 -0.21 0.00 0.00 178.00 179.56 1b3l h GLU 36 N 0.96 0.21 -0.15 1.05 3.07 -1.90 -3.01 114.58 114.81 1b3l h GLU 36 Ca 0.24 -0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.98 1b3l h GLU 36 Cb 0.05 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1b3l h GLU 36 CO -0.04 0.14 -0.41 0.77 -1.40 0.00 0.00 179.01 178.07 1b3l h SER 37 N 0.21 0.35 -0.28 1.42 0.02 -0.85 -1.80 113.55 112.63 1b3l h SER 37 Ca 0.14 -0.15 0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1b3l h SER 37 Cb 0.12 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 1b3l h SER 37 CO -0.16 0.73 0.05 0.78 -1.14 0.00 0.00 176.83 177.10 1b3l h ASN 38 N 0.28 -0.00 0.09 3.07 2.35 -1.10 -1.55 115.58 118.72 1b3l h ASN 38 Ca 0.02 0.05 -0.21 0.00 -0.55 0.00 0.00 56.30 55.61 1b3l h ASN 38 Cb 0.85 0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.29 1b3l h ASN 38 CO 0.07 0.03 -0.79 0.58 -1.65 0.00 0.00 177.43 175.67 1b3l h VAL 39 N 0.15 1.33 -0.60 2.81 2.07 -1.47 -3.29 116.25 117.26 1b3l h VAL 39 Ca 0.13 -2.11 0.05 0.00 0.82 0.00 0.00 66.70 65.59 1b3l h VAL 39 Cb 0.14 2.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 1b3l h VAL 39 CO -0.18 0.65 0.33 -1.28 0.02 0.00 0.00 177.57 177.11 1b3l h SER 40 N 0.38 0.49 0.16 0.57 0.87 -1.09 -2.24 113.55 112.69 1b3l h SER 40 Ca -0.05 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 1b3l h SER 40 Cb 1.40 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1b3l h SER 40 CO 0.15 0.32 -0.13 0.03 -0.53 0.00 0.00 176.83 176.67 1b3l h ARG 41 N 0.62 0.00 0.00 2.24 3.08 -1.36 -0.15 114.38 118.81 1b3l h ARG 41 Ca 0.26 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.19 1b3l h ARG 41 Cb 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1b3l h ARG 41 CO -0.16 0.13 -0.59 -0.44 -1.07 0.00 0.00 179.97 177.84 1b3l h ASP 42 N 0.00 0.00 0.15 7.04 3.32 -1.53 -3.39 116.42 122.01 1b3l h ASP 42 Ca -0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 1b3l h ASP 42 Cb 0.25 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 1b3l h ASP 42 CO 0.02 0.59 -2.13 0.18 -1.72 0.00 0.00 179.24 176.18 1b3l n LEU 43 N -3.38 1.96 -4.09 1.55 4.77 -1.01 -2.06 117.00 114.73 1b3l n LEU 43 Ca 0.01 0.13 -0.25 0.00 -0.03 0.00 0.00 56.01 55.87 1b3l n LEU 43 Cb 0.71 -0.54 -0.16 0.00 -2.33 0.00 0.00 43.42 41.10 1b3l n LEU 43 CO 0.41 0.73 -0.48 -0.36 -1.33 0.00 0.00 177.39 176.35 1b3l s PHE 44 N -2.55 1.50 -0.11 -1.77 0.08 -0.10 -1.04 117.98 113.99 1b3l s PHE 44 Ca -0.20 -0.44 0.02 0.00 0.12 0.00 0.00 56.93 56.43 1b3l s PHE 44 Cb 0.07 -1.03 0.01 0.00 -0.57 0.00 0.00 43.02 41.50 1b3l s PHE 44 CO 0.74 -0.17 -0.17 -2.00 -0.10 0.00 0.00 175.22 173.53 1b3l s GLU 45 N 0.16 2.38 0.00 0.44 2.12 -1.26 -4.52 118.70 118.02 1b3l s GLU 45 Ca -0.05 -0.62 0.00 0.00 0.36 0.00 0.00 54.97 54.66 1b3l s GLU 45 Cb -0.11 -1.98 0.00 0.00 0.26 0.00 0.00 34.13 32.29 1b3l s GLU 45 CO 0.02 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.11 1b3l n GLY 46 N 4.12 0.57 0.28 -1.50 0.00 -1.26 -4.39 105.19 103.00 1b3l n GLY 46 Ca -0.19 -1.83 -0.08 0.00 0.00 0.00 0.00 46.02 43.92 1b3l n GLY 46 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1b3l h LEU 47 N 0.00 0.87 -8.67 0.99 3.38 -1.83 -1.56 115.31 108.49 1b3l h LEU 47 Ca 0.00 -0.29 -0.42 0.00 0.09 0.00 0.00 57.88 57.26 1b3l h LEU 47 Cb 0.00 -0.24 -0.17 0.00 0.09 0.00 0.00 40.66 40.34 1b3l h LEU 47 CO 0.00 1.02 -0.75 -0.76 0.09 0.00 0.00 178.44 178.03 1b3l s LEU 48 N -9.04 2.44 0.31 1.67 1.02 -1.26 -1.38 118.68 112.43 1b3l s LEU 48 Ca -0.10 -0.87 0.03 0.00 0.02 0.00 0.00 54.13 53.21 1b3l s LEU 48 Cb 0.13 -0.58 -0.05 0.00 0.02 0.00 0.00 46.19 45.71 1b3l s LEU 48 CO 0.84 -0.15 0.10 0.27 0.02 0.00 0.00 176.35 177.43 1b3l s ILE 49 N -2.36 0.71 0.02 -0.59 -4.36 -0.51 -4.12 121.20 109.99 1b3l s ILE 49 Ca 0.12 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.38 1b3l s ILE 49 Cb -0.04 -2.63 -0.06 0.00 1.25 0.00 0.00 42.46 40.99 1b3l s ILE 49 CO 0.04 0.00 0.40 -0.44 0.24 0.00 0.00 174.94 175.17 1b3l s SER 50 N -3.41 6.75 0.92 4.36 0.01 -1.26 -0.23 113.70 120.84 1b3l s SER 50 Ca 0.35 0.90 -0.09 0.00 1.31 0.00 0.00 55.95 58.42 1b3l s SER 50 Cb 0.07 -2.23 0.15 0.00 0.21 0.00 0.00 66.02 64.22 1b3l s SER 50 CO 0.15 0.29 0.91 -0.90 0.41 0.00 0.00 173.24 174.09 1b3l n ASP 51 N 1.58 0.28 0.00 2.44 5.68 -0.14 -4.86 116.55 121.53 1b3l n ASP 51 Ca -0.13 -1.46 0.06 0.00 -0.50 0.00 0.00 54.79 52.77 1b3l n ASP 51 Cb 0.52 -0.67 0.28 0.00 -1.14 0.00 0.00 41.12 40.11 1b3l n ASP 51 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1b3l n VAL 52 N -3.13 1.04 0.61 2.12 0.24 -1.26 -1.01 118.33 116.94 1b3l n VAL 52 Ca 0.12 0.26 0.10 0.00 -2.04 0.00 0.00 64.34 62.78 1b3l n VAL 52 Cb 0.42 -1.04 0.13 0.00 -1.47 0.00 0.00 33.84 31.88 1b3l n VAL 52 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1b3l n GLU 53 N -1.47 2.06 -0.28 7.34 1.02 -1.26 -4.30 120.64 123.76 1b3l n GLU 53 Ca 0.04 -1.90 0.00 0.00 -0.02 0.00 0.00 57.16 55.27 1b3l n GLU 53 Cb 0.14 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 1b3l n GLU 53 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b3l n GLY 54 N 1.21 0.69 3.86 0.62 0.00 -0.18 -4.33 105.19 107.06 1b3l n GLY 54 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1b3l n GLY 54 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1b3l s HIS 55 N -2.44 3.45 0.18 1.61 3.76 -1.26 -4.71 115.29 115.88 1b3l s HIS 55 Ca 0.00 0.98 -0.32 0.00 -0.15 0.00 0.00 55.06 55.57 1b3l s HIS 55 Cb 0.00 -2.34 -0.12 0.00 1.11 0.00 0.00 32.58 31.24 1b3l s HIS 55 CO 0.00 0.26 1.74 -2.30 -0.85 0.00 0.00 174.74 173.60 1b3l n PRO 56 N -0.01 2.72 -4.05 8.40 -0.02 -1.26 -0.97 135.00 139.81 1b3l n PRO 56 Ca 0.00 0.98 -0.10 0.00 -2.02 0.00 0.00 63.50 62.36 1b3l n PRO 56 Cb 0.52 -2.83 -0.07 0.00 -0.02 0.00 0.00 33.50 31.10 1b3l n PRO 56 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1b3l s SER 57 N 1.58 0.01 0.21 2.55 1.04 0.68 -4.86 113.70 114.91 1b3l s SER 57 Ca 0.77 -1.05 -0.32 0.00 0.48 0.00 0.00 55.95 55.83 1b3l s SER 57 Cb -0.52 0.49 -0.13 0.00 0.10 0.00 0.00 66.02 65.97 1b3l s SER 57 CO 0.34 -1.00 1.65 -2.65 0.98 0.00 0.00 173.24 172.56 1b3l n PRO 58 N -0.31 2.56 0.00 4.02 -0.02 -1.26 -1.43 135.00 138.56 1b3l n PRO 58 Ca -0.02 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 1b3l n PRO 58 Cb 0.63 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1b3l n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b3l n GLY 59 N 3.43 1.22 0.16 -1.23 0.00 -0.61 -4.46 105.19 103.69 1b3l n GLY 59 Ca 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.10 1b3l n GLY 59 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1b3l h VAL 60 N 0.00 1.42 -3.32 1.61 2.07 -1.03 -3.41 116.25 113.58 1b3l h VAL 60 Ca 0.00 -2.21 -0.56 0.00 0.82 0.00 0.00 66.70 64.75 1b3l h VAL 60 Cb 0.00 2.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 1b3l h VAL 60 CO 0.00 0.65 0.40 0.00 0.02 0.00 0.00 177.57 178.64 1b3l s ALA 61 N -3.56 3.37 -0.16 1.67 0.00 -0.48 -1.05 121.76 121.55 1b3l s ALA 61 Ca -0.04 0.29 0.17 0.00 0.00 0.00 0.00 51.96 52.38 1b3l s ALA 61 Cb 0.11 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 1b3l s ALA 61 CO 0.81 -0.46 1.10 1.05 0.00 0.00 0.00 175.76 178.26 1b3l h GLU 62 N 7.04 0.00 -2.85 0.00 4.11 -1.03 -3.41 114.58 118.43 1b3l h GLU 62 Ca -0.34 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.10 1b3l h GLU 62 Cb 1.17 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.30 1b3l h GLU 62 CO 0.81 0.32 0.27 -1.59 0.07 0.00 0.00 179.01 178.89 1b3l s LYS 63 N -3.00 1.23 0.13 1.06 -2.85 -1.21 -4.86 119.74 110.24 1b3l s LYS 63 Ca 0.00 -0.48 -0.10 0.00 -1.00 0.00 0.00 55.97 54.40 1b3l s LYS 63 Cb 0.08 0.55 -0.00 0.00 -2.06 0.00 0.00 37.83 36.40 1b3l s LYS 63 CO 0.78 -0.54 0.26 1.67 0.10 0.00 0.00 175.35 177.62 1b3l s TRP 64 N -3.63 0.23 0.30 1.78 -2.14 -1.26 -0.55 118.94 113.67 1b3l s TRP 64 Ca 0.03 -0.62 -0.02 0.00 2.66 0.00 0.00 56.10 58.15 1b3l s TRP 64 Cb -0.01 -0.02 -0.01 0.00 -3.10 0.00 0.00 33.47 30.33 1b3l s TRP 64 CO -0.10 -0.65 0.37 -1.83 -2.66 0.00 0.00 176.95 172.07 1b3l s GLU 65 N -3.91 1.69 0.06 3.25 1.03 -0.45 -5.00 118.70 115.37 1b3l s GLU 65 Ca 0.11 -1.72 -0.08 0.00 0.03 0.00 0.00 54.97 53.31 1b3l s GLU 65 Cb 0.04 0.39 -0.00 0.00 -0.80 0.00 0.00 34.13 33.75 1b3l s GLU 65 CO -0.05 -0.66 0.17 0.54 -1.33 0.00 0.00 175.26 173.92 1b3l s ASN 66 N -3.22 0.11 -0.33 0.83 2.20 -1.26 -1.34 114.94 111.93 1b3l s ASN 66 Ca 0.33 -0.54 -0.02 0.00 -0.94 0.00 0.00 52.86 51.70 1b3l s ASN 66 Cb 0.02 0.30 0.07 0.00 -2.00 0.00 0.00 41.25 39.63 1b3l s ASN 66 CO 0.19 -0.62 0.05 -0.75 -2.94 0.00 0.00 177.10 173.03 1b3l s LYS 67 N -3.17 2.25 -1.37 3.55 2.47 -0.52 -4.74 119.74 118.21 1b3l s LYS 67 Ca -0.00 -1.45 0.00 0.00 -1.56 0.00 0.00 55.97 52.96 1b3l s LYS 67 Cb 0.02 -3.28 0.00 0.00 -1.46 0.00 0.00 37.83 33.11 1b3l s LYS 67 CO -0.07 -0.76 0.00 -0.25 0.16 0.00 0.00 175.35 174.43 1b3l n ASP 68 N 4.58 -4.54 -1.58 1.43 8.00 -1.26 -1.44 116.55 121.74 1b3l n ASP 68 Ca -0.09 0.29 -0.18 0.00 0.71 0.00 0.00 54.79 55.52 1b3l n ASP 68 Cb 0.43 -3.24 -0.07 0.00 -0.02 0.00 0.00 41.12 38.21 1b3l n ASP 68 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1b3l n PHE 69 N -2.75 -0.20 -0.03 1.24 3.72 -1.26 -4.71 117.46 113.47 1b3l n PHE 69 Ca -0.13 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.23 1b3l n PHE 69 Cb 0.45 -3.19 -0.05 0.00 -0.94 0.00 0.00 39.48 35.74 1b3l n PHE 69 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1b3l n LYS 70 N -2.25 2.52 -4.15 -1.08 4.81 -0.52 -1.95 118.16 115.53 1b3l n LYS 70 Ca -0.18 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 56.97 1b3l n LYS 70 Cb 0.60 -1.17 -0.17 0.00 0.02 0.00 0.00 35.03 34.31 1b3l n LYS 70 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1b3l s VAL 71 N -2.16 1.51 -0.13 3.15 1.01 -1.08 -0.69 120.40 122.00 1b3l s VAL 71 Ca -0.05 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1b3l s VAL 71 Cb 0.02 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 1b3l s VAL 71 CO 0.27 0.45 -0.16 0.26 0.00 0.00 0.00 175.10 175.91 1b3l s TRP 72 N 1.34 2.74 -0.15 5.22 0.52 -0.21 -1.44 118.94 126.96 1b3l s TRP 72 Ca 0.01 -0.87 -0.01 0.00 0.02 0.00 0.00 56.10 55.26 1b3l s TRP 72 Cb -0.13 -1.82 -0.01 0.00 -1.15 0.00 0.00 33.47 30.35 1b3l s TRP 72 CO -0.08 -0.34 -0.13 0.99 0.02 0.00 0.00 176.95 177.41 1b3l s THR 73 N 0.49 2.93 -0.13 2.01 2.01 -0.45 -0.29 115.64 122.21 1b3l s THR 73 Ca -0.11 -0.68 -0.01 0.00 0.31 0.00 0.00 61.69 61.20 1b3l s THR 73 Cb -0.16 -2.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.08 1b3l s THR 73 CO 0.05 0.51 -0.12 -0.36 -0.69 0.00 0.00 174.62 174.01 1b3l s PHE 74 N 0.70 2.84 -0.42 4.92 0.08 0.15 -1.34 117.98 124.91 1b3l s PHE 74 Ca -0.06 -0.59 -0.15 0.00 0.12 0.00 0.00 56.93 56.24 1b3l s PHE 74 Cb -0.15 -1.86 0.03 0.00 -0.57 0.00 0.00 43.02 40.46 1b3l s PHE 74 CO 0.02 -0.19 0.32 -1.01 -0.10 0.00 0.00 175.22 174.26 1b3l s HIS 75 N 0.36 3.24 0.20 0.36 3.76 0.29 -2.19 115.29 121.31 1b3l s HIS 75 Ca -0.10 -0.67 -0.30 0.00 -0.15 0.00 0.00 55.06 53.84 1b3l s HIS 75 Cb -0.16 -2.70 -0.08 0.00 1.11 0.00 0.00 32.58 30.75 1b3l s HIS 75 CO 0.05 -0.63 1.06 -0.51 -0.85 0.00 0.00 174.74 173.86 1b3l s LEU 76 N 1.67 4.53 0.39 0.89 1.43 -0.54 -0.50 118.68 126.55 1b3l s LEU 76 Ca 0.05 2.07 -0.27 0.00 -1.03 0.00 0.00 54.13 54.95 1b3l s LEU 76 Cb -0.20 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.32 1b3l s LEU 76 CO 0.09 -0.13 1.33 0.00 0.23 0.00 0.00 176.35 177.87 1b3l s ARG 77 N -0.67 4.02 0.48 1.70 1.70 -0.21 -4.79 118.95 121.18 1b3l s ARG 77 Ca 0.47 2.23 0.27 0.00 -0.47 0.00 0.00 55.73 58.23 1b3l s ARG 77 Cb -0.29 -2.82 0.92 0.00 -0.57 0.00 0.00 34.95 32.19 1b3l s ARG 77 CO 0.35 -0.47 1.82 0.93 -1.08 0.00 0.00 175.30 176.85 1b3l h GLU 78 N 2.80 0.00 -0.72 3.89 5.08 -1.95 -3.13 114.58 120.55 1b3l h GLU 78 Ca -0.50 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.76 1b3l h GLU 78 Cb 1.24 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.43 1b3l h GLU 78 CO 0.63 0.09 0.13 0.27 -1.00 0.00 0.00 179.01 179.12 1b3l n ASN 79 N -3.17 4.80 -4.70 1.42 6.94 -1.26 -4.93 115.26 114.36 1b3l n ASN 79 Ca 0.01 -2.94 -0.42 0.00 -0.02 0.00 0.00 54.58 51.21 1b3l n ASN 79 Cb 0.42 -0.69 -0.03 0.00 -2.36 0.00 0.00 39.78 37.12 1b3l n ASN 79 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1b3l s ALA 80 N -2.61 3.26 0.09 -2.53 0.00 -1.18 -4.45 121.76 114.33 1b3l s ALA 80 Ca 0.48 0.49 -0.01 0.00 0.00 0.00 0.00 51.96 52.92 1b3l s ALA 80 Cb 0.37 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.07 1b3l s ALA 80 CO 0.13 -0.38 0.01 0.15 0.00 0.00 0.00 175.76 175.67 1b3l s LYS 81 N 1.38 0.76 0.74 0.00 1.02 -1.26 -1.09 119.74 121.28 1b3l s LYS 81 Ca 0.51 -1.32 -0.08 0.00 0.02 0.00 0.00 55.97 55.10 1b3l s LYS 81 Cb -0.20 0.22 0.08 0.00 -0.52 0.00 0.00 37.83 37.41 1b3l s LYS 81 CO 0.24 -0.18 1.06 -1.58 -0.92 0.00 0.00 175.35 173.97 1b3l s TRP 82 N -3.98 2.71 -0.95 3.18 0.52 0.14 -4.67 118.94 115.89 1b3l s TRP 82 Ca 0.15 0.41 0.15 0.00 0.02 0.00 0.00 56.10 56.83 1b3l s TRP 82 Cb 0.08 -3.30 0.64 0.00 -1.15 0.00 0.00 33.47 29.75 1b3l s TRP 82 CO -0.05 -1.58 1.48 -1.13 0.02 0.00 0.00 176.95 175.70 1b3l n SER 83 N -3.03 0.07 -1.18 2.95 3.41 0.13 -1.79 113.62 114.18 1b3l n SER 83 Ca 0.09 0.52 0.10 0.00 -0.26 0.00 0.00 58.87 59.32 1b3l n SER 83 Cb 0.60 -0.53 0.28 0.00 -0.26 0.00 0.00 64.21 64.31 1b3l n SER 83 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1b3l n ASP 84 N -1.57 3.44 0.00 4.04 5.75 -1.26 -4.85 116.55 122.09 1b3l n ASP 84 Ca 0.03 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 1b3l n ASP 84 Cb 0.17 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 1b3l n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b3l n GLY 85 N 1.50 1.32 3.81 6.12 0.00 -0.74 -5.04 105.19 112.15 1b3l n GLY 85 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 1b3l n GLY 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1b3l s THR 86 N -3.21 4.33 0.53 2.61 -4.23 -1.26 -4.77 115.64 109.64 1b3l s THR 86 Ca 0.00 1.61 -0.20 0.00 -1.18 0.00 0.00 61.69 61.91 1b3l s THR 86 Cb 0.00 -3.77 -0.06 0.00 1.34 0.00 0.00 72.50 70.02 1b3l s THR 86 CO 0.00 -0.13 1.16 -2.16 -0.54 0.00 0.00 174.62 172.95 1b3l s PRO 87 N -2.71 3.38 -0.18 3.99 0.04 -1.26 0.27 135.00 138.53 1b3l s PRO 87 Ca 0.57 1.70 -0.17 0.00 0.04 0.00 0.00 61.00 63.14 1b3l s PRO 87 Cb -0.13 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 1b3l s PRO 87 CO 0.17 -0.85 0.44 0.08 0.04 0.00 0.00 177.00 176.89 1b3l s VAL 88 N -1.68 5.18 0.45 -0.36 1.01 -0.25 -4.68 120.40 120.07 1b3l s VAL 88 Ca 0.71 0.81 0.03 0.00 0.00 0.00 0.00 61.98 63.54 1b3l s VAL 88 Cb -0.26 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 1b3l s VAL 88 CO 0.30 0.25 0.07 0.42 0.00 0.00 0.00 175.10 176.14 1b3l s THR 89 N 1.22 0.91 0.29 3.92 -4.23 -1.26 -4.76 115.64 111.73 1b3l s THR 89 Ca 0.22 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.98 1b3l s THR 89 Cb -0.15 -2.30 0.25 0.00 1.34 0.00 0.00 72.50 71.64 1b3l s THR 89 CO 0.09 0.00 1.95 0.00 -0.54 0.00 0.00 174.62 176.12 1b3l h ALA 90 N 1.61 1.16 -0.32 3.99 0.00 -1.11 -2.09 119.26 122.49 1b3l h ALA 90 Ca -0.39 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 1b3l h ALA 90 Cb 1.29 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1b3l h ALA 90 CO 0.65 0.23 -0.10 0.45 0.00 0.00 0.00 179.25 180.49 1b3l h HIS 91 N 0.00 0.58 -0.70 0.00 3.86 -1.86 -2.31 115.15 114.72 1b3l h HIS 91 Ca -0.00 -0.09 -0.04 0.00 -1.16 0.00 0.00 60.37 59.08 1b3l h HIS 91 Cb 0.54 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.82 1b3l h HIS 91 CO 0.00 0.63 0.29 -0.44 0.86 0.00 0.00 177.93 179.27 1b3l h ASP 92 N 0.50 0.95 -0.33 2.45 3.32 -1.75 -1.83 116.42 119.73 1b3l h ASP 92 Ca 0.09 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 1b3l h ASP 92 Cb 0.48 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1b3l h ASP 92 CO 0.03 0.84 -0.15 -0.26 -1.72 0.00 0.00 179.24 177.98 1b3l h PHE 93 N 1.01 0.79 0.22 4.55 0.04 -1.46 -1.66 116.94 120.43 1b3l h PHE 93 Ca 0.24 -0.19 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 1b3l h PHE 93 Cb 0.18 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1b3l h PHE 93 CO 0.02 0.89 -0.18 0.28 -0.60 0.00 0.00 178.31 178.71 1b3l h VAL 94 N 0.46 0.61 -0.78 -0.55 2.07 -1.31 -1.26 116.25 115.49 1b3l h VAL 94 Ca 0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 1b3l h VAL 94 Cb 0.68 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1b3l h VAL 94 CO 0.05 0.00 0.48 0.22 0.02 0.00 0.00 177.57 178.34 1b3l h TYR 95 N -0.42 1.01 -0.33 1.57 3.20 -1.34 -2.33 116.97 118.33 1b3l h TYR 95 Ca -0.01 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 1b3l h TYR 95 Cb 0.37 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1b3l h TYR 95 CO -0.12 0.67 0.05 0.77 -1.64 0.00 0.00 178.16 177.88 1b3l h SER 96 N 1.06 0.54 0.64 -2.11 0.02 -1.23 -0.54 113.55 111.93 1b3l h SER 96 Ca 0.28 -0.27 -0.14 0.00 -0.84 0.00 0.00 61.79 60.82 1b3l h SER 96 Cb -0.06 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1b3l h SER 96 CO -0.05 0.67 -0.67 -0.50 -1.14 0.00 0.00 176.83 175.14 1b3l h TRP 97 N 0.39 0.04 -0.39 3.45 4.06 -1.20 -1.32 115.95 120.97 1b3l h TRP 97 Ca 0.10 -0.02 -0.03 0.00 2.06 0.00 0.00 58.89 61.01 1b3l h TRP 97 Cb 0.37 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.51 1b3l h TRP 97 CO 0.03 0.69 0.14 1.96 -3.56 0.00 0.00 178.44 177.70 1b3l h GLN 98 N 0.02 0.59 -0.56 0.49 4.20 -1.39 -2.06 115.11 116.40 1b3l h GLN 98 Ca -0.01 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.54 1b3l h GLN 98 Cb 1.19 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.85 1b3l h GLN 98 CO 0.09 0.58 0.17 -0.09 -0.67 0.00 0.00 178.83 178.90 1b3l h ARG 99 N 0.48 0.85 -0.85 1.46 2.43 -0.68 -1.05 114.38 117.03 1b3l h ARG 99 Ca 0.13 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1b3l h ARG 99 Cb 0.22 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 1b3l h ARG 99 CO -0.01 0.74 0.41 1.25 -1.51 0.00 0.00 179.97 180.85 1b3l h LEU 100 N 0.82 1.11 -0.49 3.80 5.85 -1.01 -2.83 115.31 122.56 1b3l h LEU 100 Ca 0.19 -0.14 -0.15 0.00 0.84 0.00 0.00 57.88 58.62 1b3l h LEU 100 Cb 0.25 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1b3l h LEU 100 CO -0.01 0.93 -0.72 0.00 -0.34 0.00 0.00 178.44 178.30 1b3l h ALA 101 N 1.22 0.76 -2.59 1.25 0.00 -1.06 -3.41 119.26 115.43 1b3l h ALA 101 Ca 0.29 -0.66 -0.52 0.00 0.00 0.00 0.00 54.91 54.02 1b3l h ALA 101 Cb 0.12 -0.12 0.05 0.00 0.00 0.00 0.00 17.79 17.84 1b3l h ALA 101 CO -0.04 0.90 1.07 0.34 0.00 0.00 0.00 179.25 181.52 1b3l s ASP 102 N -6.76 6.39 0.60 0.00 -1.08 -0.42 -4.48 116.67 110.92 1b3l s ASP 102 Ca -0.00 2.83 0.32 0.00 -0.52 0.00 0.00 52.55 55.17 1b3l s ASP 102 Cb 0.11 -2.58 1.88 0.00 -1.46 0.00 0.00 42.92 40.88 1b3l s ASP 102 CO 0.78 -0.99 2.26 -0.65 0.52 0.00 0.00 175.17 177.08 1b3l h PRO 103 N 7.66 0.00 0.00 4.34 0.11 -1.88 -0.47 132.00 141.76 1b3l h PRO 103 Ca -0.45 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.57 1b3l h PRO 103 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1b3l h PRO 103 CO 0.95 0.01 -0.44 -0.91 -0.21 0.00 0.00 178.00 177.40 1b3l h ASN 104 N 0.00 0.00 0.41 -2.05 -0.26 -1.92 -2.23 115.58 109.52 1b3l h ASN 104 Ca -0.00 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.67 1b3l h ASN 104 Cb 0.03 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.28 1b3l h ASN 104 CO 0.00 0.44 -0.35 0.74 -1.06 0.00 0.00 177.43 177.20 1b3l h THR 105 N 0.00 1.18 -6.03 2.81 2.02 -1.33 -3.47 112.91 108.09 1b3l h THR 105 Ca -0.00 -1.23 -0.42 0.00 0.77 0.00 0.00 66.41 65.53 1b3l h THR 105 Cb 0.83 1.68 0.06 0.00 -1.74 0.00 0.00 68.15 68.98 1b3l h THR 105 CO 0.06 0.35 -0.78 0.00 0.37 0.00 0.00 175.52 175.51 1b3l n ALA 106 N -2.44 -1.72 -1.76 6.16 0.00 -0.84 -4.93 120.51 114.97 1b3l n ALA 106 Ca -0.02 0.03 -0.39 0.00 0.00 0.00 0.00 53.44 53.06 1b3l n ALA 106 Cb 0.40 -3.22 -0.04 0.00 0.00 0.00 0.00 19.45 16.59 1b3l n ALA 106 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1b3l s SER 107 N -3.94 7.14 0.46 0.00 0.15 -1.26 -4.90 113.70 111.36 1b3l s SER 107 Ca 0.26 2.20 0.31 0.00 0.70 0.00 0.00 55.95 59.43 1b3l s SER 107 Cb -0.13 -2.62 1.48 0.00 -1.71 0.00 0.00 66.02 63.04 1b3l s SER 107 CO 0.79 -0.23 1.94 1.55 1.20 0.00 0.00 173.24 178.50 1b3l h PRO 108 N 3.48 0.00 -0.52 5.44 0.13 -1.87 -2.41 132.00 136.25 1b3l h PRO 108 Ca -0.47 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.37 1b3l h PRO 108 Cb 1.21 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.17 1b3l h PRO 108 CO 0.66 0.00 0.04 0.66 -0.23 0.00 0.00 178.00 179.13 1b3l n TYR 109 N -2.70 1.65 0.17 1.56 4.01 -1.26 -3.90 117.16 116.68 1b3l n TYR 109 Ca -0.00 -1.78 0.04 0.00 -0.16 0.00 0.00 57.90 56.00 1b3l n TYR 109 Cb 0.18 -0.62 0.46 0.00 -0.31 0.00 0.00 39.34 39.05 1b3l n TYR 109 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1b3l h ALA 110 N 1.13 1.63 0.00 -0.72 0.00 -1.66 -0.86 119.26 118.78 1b3l h ALA 110 Ca 0.33 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1b3l h ALA 110 Cb 1.81 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1b3l h ALA 110 CO 0.60 0.27 0.00 0.43 0.00 0.00 0.00 179.25 180.56 1b3l n SER 111 N -4.32 0.10 0.23 0.00 7.64 -1.26 -2.74 113.62 113.27 1b3l n SER 111 Ca -0.01 0.52 0.07 0.00 1.01 0.00 0.00 58.87 60.46 1b3l n SER 111 Cb 0.24 -0.54 0.61 0.00 -1.01 0.00 0.00 64.21 63.50 1b3l n SER 111 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1b3l h TYR 112 N 0.00 0.07 0.00 1.43 3.20 -1.51 0.14 116.97 120.29 1b3l h TYR 112 Ca 0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1b3l h TYR 112 Cb 0.28 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 1b3l h TYR 112 CO 0.00 0.04 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.33 1b3l h LEU 113 N 0.07 0.00 -0.12 2.82 3.38 -1.72 -2.32 115.31 117.43 1b3l h LEU 113 Ca 0.02 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.75 1b3l h LEU 113 Cb -0.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.75 1b3l h LEU 113 CO -0.00 0.16 -0.99 1.56 0.09 0.00 0.00 178.44 179.26 1b3l h GLN 114 N 0.00 0.46 -0.65 1.13 4.20 -0.95 -2.42 115.11 116.88 1b3l h GLN 114 Ca -0.00 -0.51 -0.03 0.00 0.06 0.00 0.00 58.65 58.17 1b3l h GLN 114 Cb 0.93 0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.83 1b3l h GLN 114 CO 0.02 1.16 0.28 1.88 -0.67 0.00 0.00 178.83 181.50 1b3l h TYR 115 N 0.25 0.94 -0.00 2.96 0.05 -0.90 -1.63 116.97 118.64 1b3l h TYR 115 Ca -0.10 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.64 1b3l h TYR 115 Cb 1.64 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 39.09 1b3l h TYR 115 CO 0.07 0.71 -0.10 0.41 -1.05 0.00 0.00 178.16 178.20 1b3l n GLY 116 N -1.05 -1.11 3.50 3.88 0.00 -0.90 -4.97 105.19 104.54 1b3l n GLY 116 Ca 0.06 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 1b3l n GLY 116 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1b3l n HIS 117 N -1.14 -2.44 -2.11 1.61 8.25 -0.61 -4.87 115.22 113.91 1b3l n HIS 117 Ca 0.13 0.97 -0.40 0.00 -0.26 0.00 0.00 57.72 58.15 1b3l n HIS 117 Cb 0.28 -5.05 -0.02 0.00 1.12 0.00 0.00 29.99 26.32 1b3l n HIS 117 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1b3l s ILE 118 N -3.35 2.72 0.29 1.59 1.01 -1.06 -1.25 121.20 121.14 1b3l s ILE 118 Ca 0.21 0.71 -0.30 0.00 0.00 0.00 0.00 60.65 61.28 1b3l s ILE 118 Cb -0.10 -3.45 -0.13 0.00 0.01 0.00 0.00 42.46 38.80 1b3l s ILE 118 CO 0.73 0.16 1.38 0.00 0.00 0.00 0.00 174.94 177.22 1b3l n ALA 119 N 0.70 1.41 -0.99 9.38 0.00 0.56 -2.44 120.51 129.13 1b3l n ALA 119 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1b3l n ALA 119 Cb 0.42 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1b3l n ALA 119 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1b3l n ASN 120 N 1.53 -3.86 -0.14 0.00 3.02 -1.26 -1.94 115.26 112.60 1b3l n ASN 120 Ca 0.08 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.53 1b3l n ASN 120 Cb 0.34 -1.49 -0.01 0.00 -0.61 0.00 0.00 39.78 38.01 1b3l n ASN 120 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1b3l h ILE 121 N 0.00 1.26 -0.72 2.41 6.09 -1.85 -2.38 117.51 122.31 1b3l h ILE 121 Ca 0.00 -0.99 0.00 0.00 -1.37 0.00 0.00 64.86 62.51 1b3l h ILE 121 Cb 0.33 1.09 -0.04 0.00 0.47 0.00 0.00 36.82 38.67 1b3l h ILE 121 CO 0.00 0.34 0.46 0.44 -3.07 0.00 0.00 178.15 176.32 1b3l h ASP 122 N 0.55 0.85 -0.08 2.19 3.32 -1.92 -1.30 116.42 120.02 1b3l h ASP 122 Ca 0.12 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 1b3l h ASP 122 Cb 0.46 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1b3l h ASP 122 CO 0.02 0.64 -0.12 0.44 -1.72 0.00 0.00 179.24 178.50 1b3l h ASP 123 N 0.98 0.39 -0.32 6.45 3.32 -1.94 -1.53 116.42 123.77 1b3l h ASP 123 Ca 0.26 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 1b3l h ASP 123 Cb -0.08 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1b3l h ASP 123 CO -0.05 0.54 -0.05 0.40 -1.72 0.00 0.00 179.24 178.36 1b3l h ILE 124 N 0.38 1.27 -0.60 0.35 2.04 -0.82 -1.05 117.51 119.09 1b3l h ILE 124 Ca 0.07 -1.06 -0.07 0.00 1.00 0.00 0.00 64.86 64.81 1b3l h ILE 124 Cb 0.44 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 1b3l h ILE 124 CO 0.02 0.34 0.11 0.40 0.00 0.00 0.00 178.15 179.02 1b3l h ILE 125 N 0.38 1.25 0.00 -0.67 2.04 -1.05 -2.42 117.51 117.04 1b3l h ILE 125 Ca 0.09 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 65.00 1b3l h ILE 125 Cb 0.52 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1b3l h ILE 125 CO 0.03 0.35 0.00 0.00 0.00 0.00 0.00 178.15 178.53 1b3l n ALA 126 N -2.46 2.25 -1.01 1.87 0.00 -0.60 -4.83 120.51 115.73 1b3l n ALA 126 Ca 0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 53.44 53.35 1b3l n ALA 126 Cb 0.27 -1.36 -0.00 0.00 0.00 0.00 0.00 19.45 18.35 1b3l n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b3l n GLY 127 N 0.49 0.47 0.11 0.00 0.00 -0.91 -4.95 105.19 100.39 1b3l n GLY 127 Ca 0.14 -0.32 -0.00 0.00 0.00 0.00 0.00 46.02 45.84 1b3l n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b3l h LYS 128 N 0.66 0.00 -5.66 1.61 1.57 -1.44 -3.46 116.57 109.84 1b3l h LYS 128 Ca -0.01 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.30 1b3l h LYS 128 Cb 0.06 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 32.15 1b3l h LYS 128 CO 0.01 0.43 -0.80 0.15 -0.57 0.00 0.00 179.45 178.67 1b3l s LYS 129 N -2.90 0.94 0.71 3.15 1.02 -1.14 -5.00 119.74 116.51 1b3l s LYS 129 Ca -0.00 -1.03 -0.13 0.00 0.02 0.00 0.00 55.97 54.82 1b3l s LYS 129 Cb 0.08 -1.05 0.03 0.00 -0.52 0.00 0.00 37.83 36.37 1b3l s LYS 129 CO 0.79 0.24 1.11 -1.25 -0.92 0.00 0.00 175.35 175.32 1b3l s PRO 130 N -1.79 2.51 0.58 -1.68 0.04 -1.26 -4.35 135.00 129.05 1b3l s PRO 130 Ca 0.01 1.36 0.30 0.00 0.04 0.00 0.00 61.00 62.71 1b3l s PRO 130 Cb -0.10 -1.92 1.78 0.00 0.04 0.00 0.00 34.50 34.30 1b3l s PRO 130 CO 0.03 -1.47 2.23 0.00 0.04 0.00 0.00 177.00 177.83 1b3l h ALA 131 N -0.42 1.48 0.00 8.56 0.00 -1.90 -2.21 119.26 124.76 1b3l h ALA 131 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1b3l h ALA 131 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1b3l h ALA 131 CO 0.52 0.02 0.00 0.25 0.00 0.00 0.00 179.25 180.05 1b3l n THR 132 N -3.80 1.38 1.21 0.00 -2.24 -1.26 -1.47 114.28 108.10 1b3l n THR 132 Ca -0.03 0.37 0.13 0.00 -2.27 0.00 0.00 64.05 62.26 1b3l n THR 132 Cb 0.11 -1.25 0.48 0.00 -2.10 0.00 0.00 70.33 67.57 1b3l n THR 132 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1b3l n ASP 133 N -1.59 0.50 -4.53 3.42 9.92 -0.83 -4.92 116.55 118.52 1b3l n ASP 133 Ca 0.02 -0.38 -0.41 0.00 -0.53 0.00 0.00 54.79 53.49 1b3l n ASP 133 Cb 0.10 -0.02 0.01 0.00 -0.64 0.00 0.00 41.12 40.57 1b3l n ASP 133 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1b3l n LEU 134 N -1.12 1.41 -2.01 0.64 7.94 -0.54 -4.75 117.00 118.57 1b3l n LEU 134 Ca 0.11 0.94 -0.05 0.00 -1.11 0.00 0.00 56.01 55.90 1b3l n LEU 134 Cb 0.31 -1.24 -0.07 0.00 0.53 0.00 0.00 43.42 42.96 1b3l n LEU 134 CO 0.27 -2.25 0.99 0.61 -1.11 0.00 0.00 177.39 175.90 1b3l n GLY 135 N 1.50 2.06 3.22 -3.96 0.00 -0.82 -4.83 105.19 102.36 1b3l n GLY 135 Ca 0.11 -0.48 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 1b3l n GLY 135 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1b3l s VAL 136 N 1.39 1.25 -0.07 1.61 -7.23 -1.26 -1.33 120.40 114.76 1b3l s VAL 136 Ca 0.26 -1.61 -0.25 0.00 -1.81 0.00 0.00 61.98 58.57 1b3l s VAL 136 Cb 0.13 -1.41 0.06 0.00 0.56 0.00 0.00 36.38 35.71 1b3l s VAL 136 CO 0.00 -0.38 0.57 -1.59 -0.31 0.00 0.00 175.10 173.39 1b3l s LYS 137 N -2.45 0.90 -0.40 4.82 -2.85 0.01 -4.99 119.74 114.78 1b3l s LYS 137 Ca 0.06 0.23 -0.20 0.00 -1.00 0.00 0.00 55.97 55.06 1b3l s LYS 137 Cb -0.06 0.42 0.01 0.00 -2.06 0.00 0.00 37.83 36.15 1b3l s LYS 137 CO 0.03 -0.25 0.62 0.00 0.10 0.00 0.00 175.35 175.84 1b3l s ALA 138 N -0.99 3.40 0.24 0.59 0.00 -1.26 -0.75 121.76 122.99 1b3l s ALA 138 Ca -0.10 -1.08 0.14 0.00 0.00 0.00 0.00 51.96 50.92 1b3l s ALA 138 Cb -0.02 -3.22 0.54 0.00 0.00 0.00 0.00 23.12 20.42 1b3l s ALA 138 CO 0.07 -1.57 1.69 -0.07 0.00 0.00 0.00 175.76 175.88 1b3l h LEU 139 N 9.50 0.00 0.00 0.00 3.38 -1.54 -3.47 115.31 123.18 1b3l h LEU 139 Ca -0.26 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.74 1b3l h LEU 139 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1b3l h LEU 139 CO 0.86 0.49 0.12 -0.90 0.09 0.00 0.00 178.44 179.10 1b3l n ASP 140 N -3.72 -0.44 0.24 -0.43 5.68 -1.24 -4.99 116.55 111.66 1b3l n ASP 140 Ca -0.01 -1.25 0.08 0.00 -0.50 0.00 0.00 54.79 53.11 1b3l n ASP 140 Cb 0.55 0.72 0.60 0.00 -1.14 0.00 0.00 41.12 41.84 1b3l n ASP 140 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1b3l h ASP 141 N 0.47 0.00 -0.21 -1.12 5.19 -2.00 -2.97 116.42 115.78 1b3l h ASP 141 Ca -0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 1b3l h ASP 141 Cb 0.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.80 1b3l h ASP 141 CO 0.09 0.13 0.00 1.41 -3.12 0.00 0.00 179.24 177.75 1b3l n HIS 142 N -4.18 0.59 -3.79 4.55 8.25 -1.26 -0.64 115.22 118.75 1b3l n HIS 142 Ca -0.02 -0.79 -0.26 0.00 -0.26 0.00 0.00 57.72 56.38 1b3l n HIS 142 Cb 0.21 -0.20 -0.17 0.00 1.12 0.00 0.00 29.99 30.95 1b3l n HIS 142 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1b3l s THR 143 N -2.32 0.62 -0.22 1.59 2.01 -1.12 -1.47 115.64 114.72 1b3l s THR 143 Ca 0.33 -0.32 -0.04 0.00 0.31 0.00 0.00 61.69 61.97 1b3l s THR 143 Cb 0.26 -0.91 -0.01 0.00 0.01 0.00 0.00 72.50 71.85 1b3l s THR 143 CO 0.08 0.05 -0.03 0.12 -0.69 0.00 0.00 174.62 174.16 1b3l s PHE 144 N 1.84 2.97 -0.14 4.92 5.36 -0.93 -1.22 117.98 130.79 1b3l s PHE 144 Ca 0.02 -0.92 -0.01 0.00 -0.96 0.00 0.00 56.93 55.06 1b3l s PHE 144 Cb -0.15 -2.12 -0.01 0.00 -0.34 0.00 0.00 43.02 40.40 1b3l s PHE 144 CO -0.07 -0.54 -0.12 -2.00 -1.46 0.00 0.00 175.22 171.03 1b3l s GLU 145 N 1.48 3.40 -0.07 10.12 2.12 0.07 -0.67 118.70 135.16 1b3l s GLU 145 Ca 0.06 -0.67 0.04 0.00 0.36 0.00 0.00 54.97 54.76 1b3l s GLU 145 Cb -0.14 -2.69 -0.02 0.00 0.26 0.00 0.00 34.13 31.53 1b3l s GLU 145 CO -0.03 0.17 -0.17 0.08 -0.54 0.00 0.00 175.26 174.77 1b3l s VAL 146 N 0.48 2.77 -0.14 3.70 1.01 0.60 -0.81 120.40 128.00 1b3l s VAL 146 Ca -0.08 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 1b3l s VAL 146 Cb -0.16 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 1b3l s VAL 146 CO 0.04 0.57 -0.13 -0.89 0.00 0.00 0.00 175.10 174.69 1b3l s THR 147 N -0.36 2.92 0.24 3.92 2.01 -0.44 -1.04 115.64 122.89 1b3l s THR 147 Ca 0.03 -0.69 0.07 0.00 0.31 0.00 0.00 61.69 61.40 1b3l s THR 147 Cb -0.12 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 1b3l s THR 147 CO 0.02 0.51 0.22 -0.76 -0.69 0.00 0.00 174.62 173.92 1b3l s LEU 148 N 0.59 3.90 0.00 4.42 1.43 0.13 -0.32 118.68 128.83 1b3l s LEU 148 Ca -0.08 -0.19 0.24 0.00 -1.03 0.00 0.00 54.13 53.07 1b3l s LEU 148 Cb -0.16 -2.43 0.27 0.00 0.03 0.00 0.00 46.19 43.90 1b3l s LEU 148 CO 0.03 -0.04 1.25 -1.54 0.23 0.00 0.00 176.35 176.28 1b3l n SER 149 N -1.16 0.66 -4.00 2.29 3.41 -0.38 -4.70 113.62 109.73 1b3l n SER 149 Ca -0.08 -0.48 -0.08 0.00 -0.26 0.00 0.00 58.87 57.97 1b3l n SER 149 Cb 0.58 0.49 -0.09 0.00 -0.26 0.00 0.00 64.21 64.93 1b3l n SER 149 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1b3l s GLU 150 N -3.01 0.77 -0.01 4.33 0.41 -1.26 -5.11 118.70 114.82 1b3l s GLU 150 Ca 0.10 -1.15 -0.30 0.00 -0.41 0.00 0.00 54.97 53.21 1b3l s GLU 150 Cb 0.17 0.27 -0.05 0.00 -1.78 0.00 0.00 34.13 32.74 1b3l s GLU 150 CO 0.76 -0.21 1.39 -1.25 -0.49 0.00 0.00 175.26 175.46 1b3l s PRO 151 N -3.92 4.28 -0.34 0.39 0.05 -1.26 -4.72 135.00 129.49 1b3l s PRO 151 Ca 0.09 1.94 0.01 0.00 0.05 0.00 0.00 61.00 63.09 1b3l s PRO 151 Cb 0.06 -3.59 0.10 0.00 0.05 0.00 0.00 34.50 31.13 1b3l s PRO 151 CO -0.08 -0.58 0.09 0.08 0.05 0.00 0.00 177.00 176.56 1b3l s VAL 152 N 2.47 1.49 0.32 -0.36 1.01 -0.82 -4.89 120.40 119.62 1b3l s VAL 152 Ca 0.63 -1.89 0.15 0.00 0.00 0.00 0.00 61.98 60.86 1b3l s VAL 152 Cb -0.31 -2.11 0.09 0.00 0.00 0.00 0.00 36.38 34.06 1b3l s VAL 152 CO 0.26 -0.67 1.79 -0.65 0.00 0.00 0.00 175.10 175.83 1b3l h PRO 153 N 7.77 0.00 -0.64 2.72 0.11 -1.95 -2.43 132.00 137.59 1b3l h PRO 153 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1b3l h PRO 153 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1b3l h PRO 153 CO 0.50 0.40 0.00 2.48 -0.21 0.00 0.00 178.00 181.16 1b3l n TYR 154 N -3.90 1.28 -0.21 0.65 0.18 -1.26 -4.63 117.16 109.28 1b3l n TYR 154 Ca -0.01 -0.49 0.02 0.00 1.88 0.00 0.00 57.90 59.29 1b3l n TYR 154 Cb 0.45 -0.25 0.12 0.00 -0.38 0.00 0.00 39.34 39.28 1b3l n TYR 154 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 1b3l h PHE 155 N 3.26 0.20 -0.15 -3.48 3.57 -1.83 -0.97 116.94 117.54 1b3l h PHE 155 Ca 0.00 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1b3l h PHE 155 Cb 1.30 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 1b3l h PHE 155 CO 0.67 -0.05 0.11 0.10 -2.23 0.00 0.00 178.31 176.91 1b3l h TYR 156 N 0.25 0.00 0.00 0.41 -0.00 -1.86 -1.87 116.97 113.91 1b3l h TYR 156 Ca 0.34 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 59.04 1b3l h TYR 156 Cb 0.52 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.25 1b3l h TYR 156 CO -0.26 0.00 -0.11 0.87 -0.00 0.00 0.00 178.16 178.66 1b3l h LYS 157 N 0.00 0.00 0.00 0.10 1.57 -1.53 -2.80 116.57 113.91 1b3l h LYS 157 Ca 0.07 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1b3l h LYS 157 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1b3l h LYS 157 CO -0.00 0.11 -0.27 -0.07 -0.57 0.00 0.00 179.45 178.65 1b3l h LEU 158 N 0.00 0.00 0.00 2.94 4.07 -1.42 -3.33 115.31 117.57 1b3l h LEU 158 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1b3l h LEU 158 Cb 0.39 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.13 1b3l h LEU 158 CO 0.01 0.27 0.00 0.18 -1.08 0.00 0.00 178.44 177.82 1b3l n LEU 159 N -3.90 0.00 -0.05 1.67 4.77 -1.06 -2.54 117.00 115.89 1b3l n LEU 159 Ca -0.02 0.14 0.14 0.00 -0.03 0.00 0.00 56.01 56.25 1b3l n LEU 159 Cb 0.35 -0.14 0.62 0.00 -2.33 0.00 0.00 43.42 41.92 1b3l n LEU 159 CO 0.35 -0.06 0.89 1.33 -1.33 0.00 0.00 177.39 178.58 1b3l n VAL 160 N -1.14 0.00 -2.59 4.08 0.24 -1.25 -4.03 118.33 113.63 1b3l n VAL 160 Ca 0.11 -0.03 -0.36 0.00 -2.04 0.00 0.00 64.34 62.02 1b3l n VAL 160 Cb 0.10 -0.24 -0.04 0.00 -1.47 0.00 0.00 33.84 32.19 1b3l n VAL 160 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1b3l s HIS 161 N -2.63 3.27 0.46 6.34 5.04 -1.05 -4.92 115.29 121.80 1b3l s HIS 161 Ca 0.25 1.64 0.14 0.00 -1.54 0.00 0.00 55.06 55.55 1b3l s HIS 161 Cb 0.20 -3.08 1.06 0.00 0.04 0.00 0.00 32.58 30.80 1b3l s HIS 161 CO 0.50 -0.53 2.04 -1.35 -2.34 0.00 0.00 174.74 173.06 1b3l h PRO 162 N 2.38 0.07 0.00 2.88 0.11 -1.92 -2.21 132.00 133.31 1b3l h PRO 162 Ca -0.48 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1b3l h PRO 162 Cb 1.21 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1b3l h PRO 162 CO 0.62 0.16 -0.01 0.77 -0.21 0.00 0.00 178.00 179.33 1b3l h SER 163 N 0.07 0.00 -0.42 -2.05 0.02 -1.93 -1.59 113.55 107.64 1b3l h SER 163 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1b3l h SER 163 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1b3l h SER 163 CO 0.01 0.01 0.00 1.33 -1.14 0.00 0.00 176.83 177.04 1b3l n VAL 164 N -3.18 2.54 -2.15 2.27 0.24 -0.83 -4.75 118.33 112.47 1b3l n VAL 164 Ca -0.02 -1.65 -0.33 0.00 -2.04 0.00 0.00 64.34 60.30 1b3l n VAL 164 Cb 0.13 -0.27 -0.00 0.00 -1.47 0.00 0.00 33.84 32.23 1b3l n VAL 164 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1b3l s SER 165 N -1.37 6.02 0.66 -1.34 0.01 -0.60 -4.65 113.70 112.43 1b3l s SER 165 Ca 0.49 1.75 -0.13 0.00 1.31 0.00 0.00 55.95 59.37 1b3l s SER 165 Cb 0.38 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 64.08 1b3l s SER 165 CO 0.12 -1.00 1.06 -2.16 0.41 0.00 0.00 173.24 171.68 1b3l s PRO 166 N -4.05 3.02 0.12 12.44 0.04 -1.26 -4.91 135.00 140.40 1b3l s PRO 166 Ca 0.62 1.10 0.08 0.00 0.04 0.00 0.00 61.00 62.85 1b3l s PRO 166 Cb -0.14 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1b3l s PRO 166 CO 0.35 -1.04 -0.21 0.14 0.04 0.00 0.00 177.00 176.28 1b3l s VAL 167 N -2.75 1.78 -0.64 -0.36 -7.23 -1.26 -4.85 120.40 105.09 1b3l s VAL 167 Ca 0.61 -1.67 -0.24 0.00 -1.81 0.00 0.00 61.98 58.87 1b3l s VAL 167 Cb -0.15 -1.67 0.05 0.00 0.56 0.00 0.00 36.38 35.17 1b3l s VAL 167 CO 0.47 -0.12 1.02 -2.16 -0.31 0.00 0.00 175.10 174.00 1b3l s PRO 168 N -2.18 3.19 0.30 4.82 0.04 -1.26 -4.78 135.00 135.12 1b3l s PRO 168 Ca 0.10 -0.56 0.06 0.00 0.04 0.00 0.00 61.00 60.63 1b3l s PRO 168 Cb -0.09 -4.17 0.77 0.00 0.04 0.00 0.00 34.50 31.06 1b3l s PRO 168 CO 0.05 -1.79 1.71 -0.22 0.04 0.00 0.00 177.00 176.79 1b3l h LYS 169 N 9.59 0.48 -0.65 4.56 3.64 -1.99 -2.33 116.57 129.86 1b3l h LYS 169 Ca -0.28 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.06 1b3l h LYS 169 Cb 1.07 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.75 1b3l h LYS 169 CO 1.18 0.31 0.37 0.66 -2.27 0.00 0.00 179.45 179.70 1b3l h SER 170 N 0.49 0.79 -0.11 4.20 4.64 -1.99 -1.19 113.55 120.38 1b3l h SER 170 Ca 0.59 -0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 61.73 1b3l h SER 170 Cb 1.09 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1b3l h SER 170 CO -0.49 0.63 -0.41 0.00 -0.87 0.00 0.00 176.83 175.68 1b3l h ALA 171 N 1.51 0.20 -0.30 5.18 0.00 -1.77 -2.12 119.26 121.96 1b3l h ALA 171 Ca 0.23 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1b3l h ALA 171 Cb -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1b3l h ALA 171 CO -0.04 0.32 0.11 0.28 0.00 0.00 0.00 179.25 179.91 1b3l h VAL 172 N 0.06 0.93 -0.71 0.00 2.07 -1.34 0.27 116.25 117.54 1b3l h VAL 172 Ca -0.02 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 1b3l h VAL 172 Cb 1.05 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1b3l h VAL 172 CO 0.09 0.04 0.22 -0.33 0.02 0.00 0.00 177.57 177.61 1b3l h GLU 173 N 0.24 1.09 0.20 1.57 4.39 -1.27 0.05 114.58 120.85 1b3l h GLU 173 Ca 0.13 -0.23 -0.34 0.00 0.34 0.00 0.00 59.36 59.26 1b3l h GLU 173 Cb 0.09 -0.16 0.02 0.00 -0.10 0.00 0.00 28.75 28.60 1b3l h GLU 173 CO -0.13 0.93 -1.65 -0.22 -1.16 0.00 0.00 179.01 176.78 1b3l h LYS 174 N 1.05 0.41 -0.02 2.33 3.64 -1.16 -3.39 116.57 119.43 1b3l h LYS 174 Ca 0.23 -0.71 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1b3l h LYS 174 Cb 0.30 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1b3l h LYS 174 CO -0.01 1.34 -0.03 1.19 -2.27 0.00 0.00 179.45 179.67 1b3l n PHE 175 N -3.66 0.00 0.00 1.91 3.72 0.94 -5.06 117.46 115.32 1b3l n PHE 175 Ca -0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 1b3l n PHE 175 Cb 1.06 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.60 1b3l n PHE 175 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b3l n GLY 176 N 1.10 3.20 0.31 1.37 0.00 0.00 -1.41 105.19 109.77 1b3l n GLY 176 Ca 0.11 0.06 0.20 0.00 0.00 0.00 0.00 46.02 46.39 1b3l n GLY 176 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1b3l h ASP 177 N 0.00 0.00 -0.46 1.61 3.32 -1.95 -2.26 116.42 116.68 1b3l h ASP 177 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1b3l h ASP 177 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1b3l h ASP 177 CO 0.00 0.02 0.00 0.29 -1.72 0.00 0.00 179.24 177.83 1b3l n LYS 178 N -3.24 3.02 0.27 3.56 4.76 -0.50 -4.35 118.16 121.68 1b3l n LYS 178 Ca -0.02 -2.05 0.14 0.00 -2.87 0.00 0.00 58.31 53.51 1b3l n LYS 178 Cb 0.14 -1.74 0.75 0.00 -1.84 0.00 0.00 35.03 32.34 1b3l n LYS 178 CO 0.00 0.00 0.00 0.11 -1.37 0.00 0.00 177.40 176.14 1b3l h TRP 179 N 2.92 0.00 -0.04 2.13 5.08 -1.50 -2.40 115.95 122.13 1b3l h TRP 179 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1b3l h TRP 179 Cb 1.14 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.30 1b3l h TRP 179 CO 0.57 0.10 0.00 0.25 -1.28 0.00 0.00 178.44 178.09 1b3l n THR 180 N -3.53 0.03 -1.89 0.12 -2.24 -1.26 -2.09 114.28 103.42 1b3l n THR 180 Ca -0.02 -0.33 -0.38 0.00 -2.27 0.00 0.00 64.05 61.06 1b3l n THR 180 Cb 0.24 0.72 0.03 0.00 -2.10 0.00 0.00 70.33 69.23 1b3l n THR 180 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1b3l s GLN 181 N -1.97 3.15 0.38 -0.78 -1.52 -0.91 -4.67 119.66 113.36 1b3l s GLN 181 Ca 0.35 2.08 0.20 0.00 -1.95 0.00 0.00 55.36 56.04 1b3l s GLN 181 Cb 0.20 -2.19 1.18 0.00 -0.22 0.00 0.00 33.01 31.99 1b3l s GLN 181 CO 0.32 -1.13 1.68 -1.35 -0.25 0.00 0.00 175.29 174.56 1b3l h PRO 182 N 1.37 0.27 0.00 2.91 0.11 -1.89 -0.68 132.00 134.09 1b3l h PRO 182 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1b3l h PRO 182 Cb 1.30 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1b3l h PRO 182 CO 0.57 0.18 0.00 0.00 -0.21 0.00 0.00 178.00 178.54 1b3l h ALA 183 N 1.71 1.00 0.00 -0.75 0.00 -1.92 -3.34 119.26 115.96 1b3l h ALA 183 Ca 0.72 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.45 1b3l h ALA 183 Cb 1.88 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.63 1b3l h ALA 183 CO -0.47 0.00 -1.70 0.09 0.00 0.00 0.00 179.25 177.17 1b3l n ASN 184 N -2.48 2.44 -4.73 0.00 3.02 -0.33 -5.05 115.26 108.13 1b3l n ASN 184 Ca 0.04 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.20 1b3l n ASN 184 Cb 0.40 0.81 0.03 0.00 -0.61 0.00 0.00 39.78 40.42 1b3l n ASN 184 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b3l n ILE 185 N -2.35 3.39 -4.73 2.41 3.06 -0.79 -4.89 119.36 115.46 1b3l n ILE 185 Ca -0.16 -0.50 -0.26 0.00 -2.50 0.00 0.00 62.75 59.33 1b3l n ILE 185 Cb 0.80 -1.62 -0.16 0.00 0.54 0.00 0.00 39.64 39.19 1b3l n ILE 185 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 1b3l s VAL 186 N -1.27 1.33 0.10 9.51 1.01 -1.26 -5.02 120.40 124.80 1b3l s VAL 186 Ca 0.68 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 62.09 1b3l s VAL 186 Cb -0.44 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1b3l s VAL 186 CO 0.52 0.39 -0.10 0.42 0.00 0.00 0.00 175.10 176.33 1b3l s THR 187 N 0.46 0.98 -0.02 3.92 -4.23 -1.26 -4.73 115.64 110.76 1b3l s THR 187 Ca -0.13 -1.67 0.02 0.00 -1.18 0.00 0.00 61.69 58.74 1b3l s THR 187 Cb -0.15 -1.40 0.04 0.00 1.34 0.00 0.00 72.50 72.33 1b3l s THR 187 CO 0.04 -0.56 0.92 -0.46 -0.54 0.00 0.00 174.62 174.02 1b3l n ASN 188 N 0.52 1.55 -1.52 3.99 6.94 -0.94 0.23 115.26 126.02 1b3l n ASN 188 Ca -0.16 -1.94 0.00 0.00 -0.02 0.00 0.00 54.58 52.47 1b3l n ASN 188 Cb 0.58 -0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.93 1b3l n ASN 188 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1b3l n GLY 189 N -0.50 0.88 0.27 4.83 0.00 -0.21 -4.55 105.19 105.91 1b3l n GLY 189 Ca 0.02 -1.92 0.15 0.00 0.00 0.00 0.00 46.02 44.26 1b3l n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b3l h ALA 190 N -0.92 1.14 -1.84 4.61 0.00 -1.83 -3.42 119.26 117.00 1b3l h ALA 190 Ca 0.00 -0.08 -0.56 0.00 0.00 0.00 0.00 54.91 54.26 1b3l h ALA 190 Cb 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.64 1b3l h ALA 190 CO 0.00 0.12 -0.61 0.71 0.00 0.00 0.00 179.25 179.46 1b3l s TYR 191 N -4.00 2.27 0.02 0.00 2.02 -0.88 -0.88 117.35 115.92 1b3l s TYR 191 Ca -0.02 -0.76 0.01 0.00 -0.37 0.00 0.00 57.07 55.93 1b3l s TYR 191 Cb 0.12 -1.53 -0.02 0.00 -0.40 0.00 0.00 41.96 40.13 1b3l s TYR 191 CO 0.56 0.29 -0.05 -1.59 -1.57 0.00 0.00 175.55 173.19 1b3l s LYS 192 N -3.77 0.37 -0.06 -0.62 -2.85 0.28 -4.54 119.74 108.56 1b3l s LYS 192 Ca 0.35 -0.56 -0.30 0.00 -1.00 0.00 0.00 55.97 54.46 1b3l s LYS 192 Cb 0.09 -0.10 -0.05 0.00 -2.06 0.00 0.00 37.83 35.70 1b3l s LYS 192 CO 0.17 0.01 1.60 -1.17 0.10 0.00 0.00 175.35 176.05 1b3l s LEU 193 N -1.23 4.31 -0.25 2.77 2.96 -1.26 -1.28 118.68 124.70 1b3l s LEU 193 Ca -0.10 2.19 -0.10 0.00 -0.22 0.00 0.00 54.13 55.89 1b3l s LEU 193 Cb -0.08 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 42.95 1b3l s LEU 193 CO -0.00 -0.89 -0.30 1.17 -1.32 0.00 0.00 176.35 175.00 1b3l n LYS 194 N 6.90 0.55 -4.09 1.98 4.81 0.20 -4.85 118.16 123.65 1b3l n LYS 194 Ca 0.17 0.22 -0.14 0.00 -0.87 0.00 0.00 58.31 57.68 1b3l n LYS 194 Cb 0.43 -1.41 -0.13 0.00 0.02 0.00 0.00 35.03 33.93 1b3l n LYS 194 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1b3l s ASN 195 N -7.09 0.58 -0.30 3.14 0.01 -0.95 -4.88 114.94 105.45 1b3l s ASN 195 Ca -0.35 -0.22 -0.03 0.00 -0.71 0.00 0.00 52.86 51.56 1b3l s ASN 195 Cb 0.13 -0.02 0.10 0.00 0.41 0.00 0.00 41.25 41.86 1b3l s ASN 195 CO 0.46 -0.03 0.12 0.86 -1.51 0.00 0.00 177.10 177.00 1b3l s TRP 196 N -0.50 0.88 -0.34 2.20 -0.11 -1.26 -0.58 118.94 119.23 1b3l s TRP 196 Ca -0.02 -1.23 -0.09 0.00 1.22 0.00 0.00 56.10 55.99 1b3l s TRP 196 Cb -0.04 -1.23 0.02 0.00 -1.50 0.00 0.00 33.47 30.72 1b3l s TRP 196 CO -0.00 -0.85 0.14 0.08 -4.62 0.00 0.00 176.95 171.70 1b3l s VAL 197 N 1.90 4.20 0.06 5.86 1.01 0.50 -5.00 120.40 128.93 1b3l s VAL 197 Ca 0.09 -0.86 -0.35 0.00 0.00 0.00 0.00 61.98 60.87 1b3l s VAL 197 Cb -0.17 -3.29 -0.14 0.00 0.00 0.00 0.00 36.38 32.78 1b3l s VAL 197 CO -0.32 -0.12 1.63 0.52 0.00 0.00 0.00 175.10 176.81 1b3l n VAL 198 N 4.91 0.17 -1.04 2.92 0.31 -1.26 -0.71 118.33 123.63 1b3l n VAL 198 Ca -0.13 -0.03 -0.01 0.00 -0.01 0.00 0.00 64.34 64.16 1b3l n VAL 198 Cb 0.46 -1.49 -0.01 0.00 -0.91 0.00 0.00 33.84 31.90 1b3l n VAL 198 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1b3l n ASN 199 N 4.23 -4.41 0.06 4.52 5.03 -1.26 -4.77 115.26 118.66 1b3l n ASN 199 Ca 0.19 0.03 0.00 0.00 0.87 0.00 0.00 54.58 55.68 1b3l n ASN 199 Cb 0.26 -2.03 0.00 0.00 -1.02 0.00 0.00 39.78 36.99 1b3l n ASN 199 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1b3l n GLU 200 N -1.30 0.00 -3.49 3.52 1.02 0.12 -4.88 120.64 115.63 1b3l n GLU 200 Ca -0.01 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.04 1b3l n GLU 200 Cb 0.25 -0.25 -0.02 0.00 -0.02 0.00 0.00 31.44 31.41 1b3l n GLU 200 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1b3l s ARG 201 N -2.00 0.91 -0.08 3.49 1.70 -0.49 -4.46 118.95 118.03 1b3l s ARG 201 Ca 0.00 -0.34 0.03 0.00 -0.47 0.00 0.00 55.73 54.95 1b3l s ARG 201 Cb 0.00 0.42 0.01 0.00 -0.57 0.00 0.00 34.95 34.81 1b3l s ARG 201 CO 0.00 -0.40 -0.17 0.42 -1.08 0.00 0.00 175.30 174.07 1b3l s ILE 202 N -3.24 1.47 -0.12 4.99 1.01 -0.52 -0.37 121.20 124.41 1b3l s ILE 202 Ca 0.04 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 60.04 1b3l s ILE 202 Cb -0.01 -1.30 0.01 0.00 0.01 0.00 0.00 42.46 41.17 1b3l s ILE 202 CO -0.10 0.43 -0.21 -0.69 0.00 0.00 0.00 174.94 174.37 1b3l s VAL 203 N 0.51 1.93 0.15 2.92 1.01 0.25 -0.24 120.40 126.93 1b3l s VAL 203 Ca -0.15 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 60.98 1b3l s VAL 203 Cb -0.16 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1b3l s VAL 203 CO 0.05 0.53 -0.06 -0.76 0.00 0.00 0.00 175.10 174.87 1b3l s LEU 204 N 0.66 3.15 0.07 3.92 1.43 -0.09 -0.63 118.68 127.18 1b3l s LEU 204 Ca -0.12 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.58 1b3l s LEU 204 Cb -0.16 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 1b3l s LEU 204 CO 0.02 0.13 -0.08 -1.83 0.23 0.00 0.00 176.35 174.82 1b3l s GLU 205 N -2.65 0.67 0.11 1.70 -1.05 -0.40 -1.61 118.70 115.47 1b3l s GLU 205 Ca 0.25 -1.00 -0.35 0.00 -0.15 0.00 0.00 54.97 53.72 1b3l s GLU 205 Cb -0.10 -0.29 -0.18 0.00 -0.44 0.00 0.00 34.13 33.12 1b3l s GLU 205 CO 0.16 0.03 0.97 -2.13 0.95 0.00 0.00 175.26 175.24 1b3l n ARG 206 N 0.84 0.41 -3.39 -4.83 0.63 -0.35 -0.55 116.66 109.41 1b3l n ARG 206 Ca -0.18 0.14 -0.44 0.00 -0.92 0.00 0.00 57.85 56.45 1b3l n ARG 206 Cb 0.57 -1.52 -0.08 0.00 0.45 0.00 0.00 32.46 31.87 1b3l n ARG 206 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1b3l s ASN 207 N -0.23 6.14 0.43 6.15 2.47 -0.06 -4.59 114.94 125.26 1b3l s ASN 207 Ca 0.78 -1.12 0.30 0.00 0.42 0.00 0.00 52.86 53.24 1b3l s ASN 207 Cb -1.04 -2.18 1.37 0.00 -1.45 0.00 0.00 41.25 37.95 1b3l s ASN 207 CO 0.55 -0.59 1.90 1.55 -3.72 0.00 0.00 177.10 176.78 1b3l h PRO 208 N 8.73 0.00 -0.01 0.43 0.13 -1.92 -2.60 132.00 136.76 1b3l h PRO 208 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1b3l h PRO 208 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1b3l h PRO 208 CO 0.83 0.00 -0.05 1.04 -0.23 0.00 0.00 178.00 179.59 1b3l n GLN 209 N -2.65 1.03 -2.04 0.86 1.13 -1.26 -4.87 117.38 109.58 1b3l n GLN 209 Ca 0.00 -0.35 -0.42 0.00 -1.94 0.00 0.00 57.00 54.29 1b3l n GLN 209 Cb 0.19 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.03 1b3l n GLN 209 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1b3l s TYR 210 N -2.21 3.09 0.58 1.08 5.04 -0.98 -4.31 117.35 119.63 1b3l s TYR 210 Ca 0.37 0.97 0.36 0.00 -2.44 0.00 0.00 57.07 56.32 1b3l s TYR 210 Cb 0.21 -3.80 2.02 0.00 0.35 0.00 0.00 41.96 40.74 1b3l s TYR 210 CO 0.41 -2.67 2.28 0.11 -1.34 0.00 0.00 175.55 174.33 1b3l h TRP 211 N 5.62 0.00 -0.36 4.97 5.08 -1.88 -1.49 115.95 127.90 1b3l h TRP 211 Ca -0.45 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 59.38 1b3l h TRP 211 Cb 1.21 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 27.29 1b3l h TRP 211 CO 0.62 0.01 -0.01 -3.47 -1.28 0.00 0.00 178.44 174.31 1b3l n ASP 212 N -3.48 2.95 -0.17 0.11 2.03 -1.26 -4.75 116.55 111.98 1b3l n ASP 212 Ca -0.03 -3.54 0.20 0.00 0.52 0.00 0.00 54.79 51.95 1b3l n ASP 212 Cb 0.10 -0.62 0.58 0.00 -0.72 0.00 0.00 41.12 40.46 1b3l n ASP 212 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 1b3l h ASN 213 N 1.22 0.26 0.00 1.67 -1.24 -1.60 -0.57 115.58 115.32 1b3l h ASN 213 Ca 0.18 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.21 1b3l h ASN 213 Cb 1.66 -0.03 -0.00 0.00 0.73 0.00 0.00 38.32 40.68 1b3l h ASN 213 CO 0.38 0.12 -0.00 0.00 -1.29 0.00 0.00 177.43 176.63 1b3l h ALA 214 N 1.63 1.34 -0.01 1.57 0.00 -1.85 -1.28 119.26 120.65 1b3l h ALA 214 Ca 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1b3l h ALA 214 Cb 1.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1b3l h ALA 214 CO -0.10 0.00 -0.42 1.63 0.00 0.00 0.00 179.25 180.36 1b3l n LYS 215 N -3.58 1.10 -2.48 0.00 5.02 -0.22 -4.90 118.16 113.10 1b3l n LYS 215 Ca -0.03 -0.85 -0.42 0.00 -2.02 0.00 0.00 58.31 54.99 1b3l n LYS 215 Cb 0.08 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.57 1b3l n LYS 215 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1b3l s THR 216 N -2.49 4.02 -0.11 -0.18 2.01 -0.49 -1.26 115.64 117.15 1b3l s THR 216 Ca 0.20 1.57 -0.03 0.00 0.31 0.00 0.00 61.69 63.73 1b3l s THR 216 Cb 0.18 -4.00 -0.06 0.00 0.01 0.00 0.00 72.50 68.64 1b3l s THR 216 CO 0.56 0.19 -0.13 0.52 -0.69 0.00 0.00 174.62 175.07 1b3l n VAL 217 N 3.23 0.61 -2.10 3.82 0.31 -1.26 -4.97 118.33 117.97 1b3l n VAL 217 Ca 0.06 -0.18 -0.42 0.00 -0.01 0.00 0.00 64.34 63.78 1b3l n VAL 217 Cb 0.47 -1.36 -0.03 0.00 -0.91 0.00 0.00 33.84 32.00 1b3l n VAL 217 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1b3l s ILE 218 N -2.21 3.23 -0.17 2.52 -1.09 -1.26 -4.86 121.20 117.36 1b3l s ILE 218 Ca -0.15 0.82 0.18 0.00 -2.23 0.00 0.00 60.65 59.27 1b3l s ILE 218 Cb 0.05 -3.52 -0.05 0.00 -1.58 0.00 0.00 42.46 37.36 1b3l s ILE 218 CO 0.21 0.04 1.00 0.78 -1.23 0.00 0.00 174.94 175.74 1b3l h ASN 219 N 7.22 0.00 -3.89 3.58 2.35 -1.29 -3.43 115.58 120.12 1b3l h ASN 219 Ca -0.41 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.19 1b3l h ASN 219 Cb 1.20 0.00 -0.25 0.00 0.05 0.00 0.00 38.32 39.32 1b3l h ASN 219 CO 0.89 0.38 -0.36 -1.58 -1.65 0.00 0.00 177.43 175.11 1b3l s GLN 220 N -3.06 0.36 -0.01 0.81 0.74 -1.22 -1.21 119.66 116.08 1b3l s GLN 220 Ca -0.01 0.39 0.00 0.00 0.05 0.00 0.00 55.36 55.80 1b3l s GLN 220 Cb 0.09 0.18 0.01 0.00 1.10 0.00 0.00 33.01 34.38 1b3l s GLN 220 CO 0.79 -0.05 -0.00 0.54 -0.55 0.00 0.00 175.29 176.02 1b3l s VAL 221 N 0.10 0.06 -0.11 1.34 0.11 -0.63 -1.94 120.40 119.34 1b3l s VAL 221 Ca -0.01 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 1b3l s VAL 221 Cb -0.02 -0.09 -0.02 0.00 -1.53 0.00 0.00 36.38 34.72 1b3l s VAL 221 CO 0.01 0.04 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.80 1b3l s THR 222 N 0.22 3.16 -0.19 5.04 2.01 -0.01 -0.92 115.64 124.95 1b3l s THR 222 Ca -0.02 -0.64 -0.05 0.00 0.31 0.00 0.00 61.69 61.29 1b3l s THR 222 Cb -0.03 -2.31 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 1b3l s THR 222 CO -0.01 0.54 -0.00 -0.31 -0.69 0.00 0.00 174.62 174.16 1b3l s TYR 223 N -0.02 3.05 0.28 4.92 2.02 0.67 -1.02 117.35 127.25 1b3l s TYR 223 Ca -0.03 -0.42 0.06 0.00 -0.37 0.00 0.00 57.07 56.31 1b3l s TYR 223 Cb -0.14 -2.07 -0.02 0.00 -0.40 0.00 0.00 41.96 39.33 1b3l s TYR 223 CO 0.04 -0.20 0.39 -0.51 -1.57 0.00 0.00 175.55 173.70 1b3l s LEU 224 N 0.90 4.14 -0.50 -1.29 1.43 -0.53 -1.44 118.68 121.38 1b3l s LEU 224 Ca 0.01 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 1b3l s LEU 224 Cb -0.14 -2.76 0.44 0.00 0.03 0.00 0.00 46.19 43.75 1b3l s LEU 224 CO 0.02 -0.21 1.56 -0.81 0.23 0.00 0.00 176.35 177.14 1b3l n PRO 225 N -1.48 3.19 -2.71 1.29 -0.04 -1.26 0.96 135.00 134.95 1b3l n PRO 225 Ca -0.05 -3.85 -0.43 0.00 -0.04 0.00 0.00 63.50 59.13 1b3l n PRO 225 Cb 0.58 -2.28 -0.02 0.00 -0.04 0.00 0.00 33.50 31.73 1b3l n PRO 225 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1b3l s ILE 226 N -4.86 4.73 -1.55 0.52 1.01 -1.26 -3.92 121.20 115.87 1b3l s ILE 226 Ca 0.55 1.96 0.25 0.00 0.00 0.00 0.00 60.65 63.41 1b3l s ILE 226 Cb 0.45 -4.28 0.13 0.00 0.01 0.00 0.00 42.46 38.76 1b3l s ILE 226 CO -0.06 -0.12 1.41 -1.54 0.00 0.00 0.00 174.94 174.64 1b3l n SER 227 N 5.95 1.03 -4.55 3.58 3.41 -1.21 -3.93 113.62 117.89 1b3l n SER 227 Ca 0.10 -0.82 -0.42 0.00 -0.26 0.00 0.00 58.87 57.47 1b3l n SER 227 Cb 0.47 0.28 -0.06 0.00 -0.26 0.00 0.00 64.21 64.63 1b3l n SER 227 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1b3l s SER 228 N -2.66 6.42 0.42 4.04 0.15 -1.26 -4.20 113.70 116.61 1b3l s SER 228 Ca 0.19 0.01 0.15 0.00 0.70 0.00 0.00 55.95 57.00 1b3l s SER 228 Cb 0.18 -2.35 0.93 0.00 -1.71 0.00 0.00 66.02 63.08 1b3l s SER 228 CO 0.60 -0.72 1.92 -0.33 1.20 0.00 0.00 173.24 175.91 1b3l h GLU 229 N 8.67 0.00 -0.12 5.44 3.07 -1.89 -1.59 114.58 128.16 1b3l h GLU 229 Ca -0.26 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.54 1b3l h GLU 229 Cb 1.10 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.01 1b3l h GLU 229 CO 0.89 0.26 -0.19 0.28 -1.40 0.00 0.00 179.01 178.84 1b3l h VAL 230 N 0.00 1.38 -0.93 3.13 2.07 -1.94 -2.18 116.25 117.77 1b3l h VAL 230 Ca -0.00 -1.44 0.01 0.00 0.82 0.00 0.00 66.70 66.09 1b3l h VAL 230 Cb 0.48 2.04 -0.05 0.00 -1.52 0.00 0.00 31.29 32.25 1b3l h VAL 230 CO 0.03 0.42 0.62 0.74 0.02 0.00 0.00 177.57 179.40 1b3l h THR 231 N -0.08 1.23 0.08 2.57 2.02 -1.86 -1.16 112.91 115.71 1b3l h THR 231 Ca 0.01 -0.43 0.02 0.00 0.77 0.00 0.00 66.41 66.78 1b3l h THR 231 Cb 0.76 -0.14 -0.05 0.00 -1.74 0.00 0.00 68.15 66.99 1b3l h THR 231 CO 0.04 0.23 -0.40 -0.78 0.37 0.00 0.00 175.52 174.99 1b3l h ASP 232 N 1.26 -1.17 -0.63 4.18 3.58 -1.28 0.41 116.42 122.77 1b3l h ASP 232 Ca 0.35 0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.90 1b3l h ASP 232 Cb -0.13 0.45 -0.03 0.00 1.72 0.00 0.00 39.33 41.34 1b3l h ASP 232 CO -0.08 -0.46 0.27 0.58 -2.88 0.00 0.00 179.24 176.67 1b3l h VAL 233 N -0.60 1.23 0.14 2.25 2.07 -1.06 -1.62 116.25 118.65 1b3l h VAL 233 Ca 0.03 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1b3l h VAL 233 Cb 0.65 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1b3l h VAL 233 CO -0.26 0.27 -0.07 0.78 0.02 0.00 0.00 177.57 178.32 1b3l h ASN 234 N 0.88 -0.16 0.26 0.57 2.35 -0.78 -1.39 115.58 117.31 1b3l h ASN 234 Ca 0.21 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.92 1b3l h ASN 234 Cb 0.17 0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 1b3l h ASN 234 CO -0.02 -0.10 -0.13 0.03 -1.65 0.00 0.00 177.43 175.56 1b3l h ARG 235 N -0.21 0.00 -0.32 0.81 3.08 -0.83 -1.70 114.38 115.22 1b3l h ARG 235 Ca -0.02 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 1b3l h ARG 235 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1b3l h ARG 235 CO 0.03 0.13 -0.24 -0.92 -1.07 0.00 0.00 179.97 177.90 1b3l h TYR 236 N 0.00 0.86 0.00 3.04 5.03 -0.82 -1.53 116.97 123.54 1b3l h TYR 236 Ca -0.00 -0.24 -0.08 0.00 2.58 0.00 0.00 58.73 60.99 1b3l h TYR 236 Cb 0.29 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.37 1b3l h TYR 236 CO 0.00 0.98 -0.40 0.00 -1.32 0.00 0.00 178.16 177.42 1b3l h ARG 237 N 0.49 0.00 -0.24 1.82 3.08 -0.64 -2.67 114.38 116.21 1b3l h ARG 237 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1b3l h ARG 237 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1b3l h ARG 237 CO 0.06 0.40 0.00 -1.13 -1.07 0.00 0.00 179.97 178.23 1b3l n SER 238 N -3.82 1.07 -0.43 7.04 3.41 -0.70 -4.92 113.62 115.26 1b3l n SER 238 Ca -0.01 -2.02 -0.06 0.00 -0.26 0.00 0.00 58.87 56.52 1b3l n SER 238 Cb 0.46 -0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.23 1b3l n SER 238 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b3l n GLY 239 N 0.74 0.79 0.09 5.00 0.00 -1.01 -4.94 105.19 105.87 1b3l n GLY 239 Ca 0.06 -0.44 0.03 0.00 0.00 0.00 0.00 46.02 45.68 1b3l n GLY 239 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b3l n GLU 240 N -2.29 0.62 -4.86 1.61 1.02 -0.58 -4.89 120.64 111.27 1b3l n GLU 240 Ca -0.06 0.16 -0.33 0.00 -0.02 0.00 0.00 57.16 56.91 1b3l n GLU 240 Cb 0.25 -1.78 -0.16 0.00 -0.02 0.00 0.00 31.44 29.74 1b3l n GLU 240 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1b3l s ILE 241 N -3.07 2.52 0.01 -3.67 1.01 -1.19 -4.83 121.20 111.98 1b3l s ILE 241 Ca -0.03 -0.84 0.05 0.00 0.00 0.00 0.00 60.65 59.83 1b3l s ILE 241 Cb 0.09 -2.03 -0.24 0.00 0.01 0.00 0.00 42.46 40.29 1b3l s ILE 241 CO 0.81 0.54 0.87 0.44 0.00 0.00 0.00 174.94 177.60 1b3l h ASP 242 N 6.91 0.15 -3.25 3.58 3.32 -1.43 -3.41 116.42 122.29 1b3l h ASP 242 Ca -0.26 -0.23 -0.37 0.00 0.02 0.00 0.00 57.03 56.20 1b3l h ASP 242 Cb 1.21 -0.05 -0.39 0.00 0.22 0.00 0.00 39.33 40.33 1b3l h ASP 242 CO 0.53 1.19 -0.73 -0.04 -1.72 0.00 0.00 179.24 178.47 1b3l s MET 243 N -2.63 -0.05 1.03 3.56 -1.94 -0.97 -1.95 119.30 116.35 1b3l s MET 243 Ca -0.06 0.36 -0.16 0.00 -1.71 0.00 0.00 55.69 54.12 1b3l s MET 243 Cb 0.08 -0.62 0.21 0.00 2.01 0.00 0.00 34.83 36.51 1b3l s MET 243 CO 0.83 -0.36 1.19 0.95 -0.01 0.00 0.00 175.02 177.62 1b3l s THR 244 N 2.19 1.86 0.77 2.05 -4.23 -0.80 -1.87 115.64 115.61 1b3l s THR 244 Ca 0.04 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.44 1b3l s THR 244 Cb -0.12 -2.75 0.05 0.00 1.34 0.00 0.00 72.50 71.02 1b3l s THR 244 CO -0.04 0.00 1.09 -0.47 -0.54 0.00 0.00 174.62 174.66 1b3l s TYR 245 N -3.39 2.87 -0.91 3.99 5.04 -1.23 -4.58 117.35 119.14 1b3l s TYR 245 Ca 0.70 1.25 -0.02 0.00 -2.44 0.00 0.00 57.07 56.55 1b3l s TYR 245 Cb -0.09 -3.05 0.29 0.00 0.35 0.00 0.00 41.96 39.45 1b3l s TYR 245 CO 0.54 -1.65 2.07 0.27 -1.34 0.00 0.00 175.55 175.44 1b3l n ASN 246 N -3.37 7.40 -3.91 4.32 6.94 -1.26 -4.69 115.26 120.68 1b3l n ASN 246 Ca 0.07 -3.66 -0.26 0.00 -0.02 0.00 0.00 54.58 50.71 1b3l n ASN 246 Cb 0.55 -1.15 -0.17 0.00 -2.36 0.00 0.00 39.78 36.66 1b3l n ASN 246 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1b3l s ASN 247 N -0.89 2.05 -0.05 0.53 0.01 -1.25 -4.61 114.94 110.72 1b3l s ASN 247 Ca 0.48 -0.28 0.03 0.00 -0.71 0.00 0.00 52.86 52.38 1b3l s ASN 247 Cb 0.33 -0.80 -0.03 0.00 0.41 0.00 0.00 41.25 41.16 1b3l s ASN 247 CO -0.27 -0.10 -0.11 -0.04 -1.51 0.00 0.00 177.10 175.06 1b3l s MET 248 N 1.58 2.59 0.49 -0.60 -1.94 -1.26 -4.86 119.30 115.29 1b3l s MET 248 Ca 0.02 -0.64 -0.22 0.00 -1.71 0.00 0.00 55.69 53.14 1b3l s MET 248 Cb -0.13 -2.46 -0.07 0.00 2.01 0.00 0.00 34.83 34.19 1b3l s MET 248 CO -0.06 0.64 1.18 -1.25 -0.01 0.00 0.00 175.02 175.51 1b3l s PRO 249 N -0.78 3.58 0.11 2.03 0.04 -1.26 -4.84 135.00 133.88 1b3l s PRO 249 Ca 0.12 1.79 -0.14 0.00 0.04 0.00 0.00 61.00 62.81 1b3l s PRO 249 Cb -0.11 -2.29 -0.08 0.00 0.04 0.00 0.00 34.50 32.06 1b3l s PRO 249 CO 0.01 -0.70 1.43 0.82 0.04 0.00 0.00 177.00 178.60 1b3l h ILE 250 N 1.65 1.30 -0.87 0.56 2.04 -1.93 -3.23 117.51 117.02 1b3l h ILE 250 Ca -0.50 -1.45 0.16 0.00 1.00 0.00 0.00 64.86 64.07 1b3l h ILE 250 Cb 1.26 1.53 -0.10 0.00 -0.74 0.00 0.00 36.82 38.77 1b3l h ILE 250 CO 0.59 0.47 0.45 -0.33 0.00 0.00 0.00 178.15 179.33 1b3l h GLU 251 N 0.49 0.60 0.00 2.37 3.07 -1.96 -3.26 114.58 115.89 1b3l h GLU 251 Ca 0.05 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1b3l h GLU 251 Cb 0.85 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 1b3l h GLU 251 CO 0.07 0.40 -1.41 1.28 -1.40 0.00 0.00 179.01 177.95 1b3l n LEU 252 N -4.87 0.34 -0.13 1.33 4.77 -1.25 -4.73 117.00 112.45 1b3l n LEU 252 Ca 0.18 -0.21 -0.04 0.00 -0.03 0.00 0.00 56.01 55.91 1b3l n LEU 252 Cb 0.47 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1b3l n LEU 252 CO 0.20 0.09 0.76 0.15 -1.33 0.00 0.00 177.39 177.26 1b3l h PHE 253 N 0.00 -0.31 -0.67 -1.77 3.57 -1.60 -0.92 116.94 115.24 1b3l h PHE 253 Ca 0.00 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.58 1b3l h PHE 253 Cb 0.66 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 1b3l h PHE 253 CO 0.00 -0.22 0.41 1.96 -2.23 0.00 0.00 178.31 178.23 1b3l h GLN 254 N -0.04 0.77 0.00 1.11 1.08 -1.85 -1.65 115.11 114.53 1b3l h GLN 254 Ca 0.21 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 1b3l h GLN 254 Cb 0.35 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1b3l h GLN 254 CO -0.46 0.51 0.00 1.57 -0.95 0.00 0.00 178.83 179.49 1b3l h LYS 255 N 0.79 0.00 0.10 1.46 5.09 -1.81 -2.79 116.57 119.40 1b3l h LYS 255 Ca 0.27 0.00 -0.26 0.00 0.09 0.00 0.00 60.65 60.76 1b3l h LYS 255 Cb 0.05 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.38 1b3l h LYS 255 CO -0.12 0.00 -1.17 -0.07 -2.09 0.00 0.00 179.45 176.01 1b3l h LEU 256 N 0.00 0.37 -1.70 7.07 3.38 -0.62 -2.38 115.31 121.44 1b3l h LEU 256 Ca 0.00 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 1b3l h LEU 256 Cb 0.75 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1b3l h LEU 256 CO 0.00 1.28 -0.11 0.11 0.09 0.00 0.00 178.44 179.81 1b3l h LYS 257 N 0.08 0.00 0.00 1.13 1.57 -1.04 0.21 116.57 118.51 1b3l h LYS 257 Ca -0.11 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.53 1b3l h LYS 257 Cb 1.89 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.17 1b3l h LYS 257 CO 0.19 0.11 -1.98 0.36 -0.57 0.00 0.00 179.45 177.55 1b3l n LYS 258 N -3.38 0.86 0.07 3.15 2.85 -1.17 -3.89 118.16 116.66 1b3l n LYS 258 Ca -0.01 -0.10 -0.21 0.00 -1.05 0.00 0.00 58.31 56.94 1b3l n LYS 258 Cb 0.29 -1.43 -0.15 0.00 -0.65 0.00 0.00 35.03 33.09 1b3l n LYS 258 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1b3l h GLU 259 N 0.00 0.36 -2.10 -1.58 5.08 -1.26 -3.41 114.58 111.67 1b3l h GLU 259 Ca -0.21 -0.62 -0.57 0.00 -1.00 0.00 0.00 59.36 56.96 1b3l h GLU 259 Cb 1.38 0.23 -0.39 0.00 0.50 0.00 0.00 28.75 30.46 1b3l h GLU 259 CO 0.01 1.30 -1.02 0.44 -1.00 0.00 0.00 179.01 178.74 1b3l n ILE 260 N -4.00 -0.42 0.22 3.13 -5.35 0.72 -5.00 119.36 108.67 1b3l n ILE 260 Ca -0.15 -4.06 0.09 0.00 -0.27 0.00 0.00 62.75 58.36 1b3l n ILE 260 Cb 0.90 -1.93 0.49 0.00 -1.74 0.00 0.00 39.64 37.37 1b3l n ILE 260 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1b3l h PRO 261 N 4.32 0.00 0.00 6.28 0.13 -1.67 -2.78 132.00 138.28 1b3l h PRO 261 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1b3l h PRO 261 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1b3l h PRO 261 CO 0.49 0.25 -0.03 0.09 -0.23 0.00 0.00 178.00 178.57 1b3l n ASN 262 N -3.55 0.76 -0.22 1.44 4.13 -1.26 -3.28 115.26 113.28 1b3l n ASN 262 Ca -0.01 0.55 0.11 0.00 1.68 0.00 0.00 54.58 56.91 1b3l n ASN 262 Cb 0.40 -0.73 0.01 0.00 -1.54 0.00 0.00 39.78 37.92 1b3l n ASN 262 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1b3l n GLU 263 N -2.20 0.56 -3.02 3.52 1.02 -1.05 -4.86 120.64 114.61 1b3l n GLU 263 Ca 0.06 -0.45 -0.43 0.00 -0.02 0.00 0.00 57.16 56.32 1b3l n GLU 263 Cb 0.42 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.30 1b3l n GLU 263 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1b3l s VAL 264 N -2.74 4.68 -0.21 2.62 1.01 -1.20 -1.19 120.40 123.36 1b3l s VAL 264 Ca 0.14 0.09 -0.08 0.00 0.00 0.00 0.00 61.98 62.13 1b3l s VAL 264 Cb 0.17 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1b3l s VAL 264 CO 0.70 -0.80 0.09 -0.13 0.00 0.00 0.00 175.10 174.96 1b3l s ARG 265 N 3.17 3.93 -0.19 2.72 1.81 0.43 -4.98 118.95 125.85 1b3l s ARG 265 Ca 0.25 -0.35 -0.00 0.00 -1.72 0.00 0.00 55.73 53.90 1b3l s ARG 265 Cb -0.14 -3.34 0.05 0.00 -0.45 0.00 0.00 34.95 31.07 1b3l s ARG 265 CO 0.18 0.11 -0.05 0.08 -0.68 0.00 0.00 175.30 174.94 1b3l s VAL 266 N 0.85 1.21 0.08 3.52 1.01 -1.26 -1.43 120.40 124.38 1b3l s VAL 266 Ca 0.05 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1b3l s VAL 266 Cb -0.13 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1b3l s VAL 266 CO 0.03 0.03 -0.06 -1.81 0.00 0.00 0.00 175.10 173.28 1b3l s ASP 267 N 1.57 0.98 0.43 3.32 1.01 -0.64 -4.94 116.67 118.40 1b3l s ASP 267 Ca -0.01 -0.89 -0.24 0.00 0.71 0.00 0.00 52.55 52.11 1b3l s ASP 267 Cb -0.17 0.09 -0.10 0.00 1.01 0.00 0.00 42.92 43.76 1b3l s ASP 267 CO -0.07 -0.42 1.09 -2.65 0.21 0.00 0.00 175.17 173.33 1b3l n PRO 268 N 0.36 1.50 -3.79 8.23 -0.02 -1.26 0.46 135.00 140.48 1b3l n PRO 268 Ca -0.15 0.54 -0.13 0.00 -2.02 0.00 0.00 63.50 61.74 1b3l n PRO 268 Cb 0.59 -2.15 -0.12 0.00 -0.02 0.00 0.00 33.50 31.80 1b3l n PRO 268 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1b3l s TYR 269 N -1.26 -0.23 -1.18 6.00 5.04 -1.23 -4.46 117.35 120.04 1b3l s TYR 269 Ca 0.63 0.56 -0.06 0.00 -2.44 0.00 0.00 57.07 55.76 1b3l s TYR 269 Cb -0.54 0.05 0.24 0.00 0.35 0.00 0.00 41.96 42.07 1b3l s TYR 269 CO 0.57 -0.13 1.70 1.28 -1.34 0.00 0.00 175.55 177.63 1b3l n LEU 270 N 3.29 6.61 -4.07 6.97 4.77 -0.29 -4.37 117.00 129.91 1b3l n LEU 270 Ca -0.16 -4.95 -0.09 0.00 -0.03 0.00 0.00 56.01 50.79 1b3l n LEU 270 Cb 0.57 -1.37 -0.10 0.00 -2.33 0.00 0.00 43.42 40.19 1b3l n LEU 270 CO 0.19 1.57 -0.37 0.00 -1.33 0.00 0.00 177.39 177.45 1b3l s THR 272 N -2.81 1.09 -0.21 0.00 2.01 -0.41 -1.48 115.64 113.83 1b3l s THR 272 Ca -0.01 -0.52 -0.12 0.00 0.31 0.00 0.00 61.69 61.34 1b3l s THR 272 Cb -0.00 -0.95 -0.05 0.00 0.01 0.00 0.00 72.50 71.51 1b3l s THR 272 CO -0.05 0.32 0.22 -0.47 -0.69 0.00 0.00 174.62 173.95 1b3l s TYR 273 N 0.14 3.38 0.17 4.92 6.14 0.36 -1.98 117.35 130.47 1b3l s TYR 273 Ca -0.04 0.39 -0.11 0.00 0.64 0.00 0.00 57.07 57.96 1b3l s TYR 273 Cb -0.10 -2.30 -0.00 0.00 0.42 0.00 0.00 41.96 39.98 1b3l s TYR 273 CO 0.01 0.14 0.33 1.52 0.64 0.00 0.00 175.55 178.19 1b3l s TYR 274 N 0.82 0.29 -0.25 4.97 1.13 -0.40 -1.24 117.35 122.66 1b3l s TYR 274 Ca 0.11 -0.65 -0.09 0.00 -1.41 0.00 0.00 57.07 55.03 1b3l s TYR 274 Cb -0.13 0.03 -0.04 0.00 -1.10 0.00 0.00 41.96 40.72 1b3l s TYR 274 CO 0.03 -0.76 0.13 0.71 -2.51 0.00 0.00 175.55 173.16 1b3l s TYR 275 N -3.95 3.22 -0.08 -3.49 2.02 0.27 -0.49 117.35 114.86 1b3l s TYR 275 Ca 0.15 0.01 -0.24 0.00 -0.37 0.00 0.00 57.07 56.62 1b3l s TYR 275 Cb 0.02 -2.27 -0.03 0.00 -0.40 0.00 0.00 41.96 39.28 1b3l s TYR 275 CO -0.01 -0.10 0.73 -2.00 -1.57 0.00 0.00 175.55 172.60 1b3l s GLU 276 N 1.31 4.42 -0.08 -0.62 2.12 0.69 -0.97 118.70 125.57 1b3l s GLU 276 Ca 0.06 0.92 -0.12 0.00 0.36 0.00 0.00 54.97 56.19 1b3l s GLU 276 Cb -0.15 -3.47 -0.05 0.00 0.26 0.00 0.00 34.13 30.73 1b3l s GLU 276 CO 0.06 0.00 0.29 0.42 -0.54 0.00 0.00 175.26 175.49 1b3l s ILE 277 N 1.01 5.26 -0.71 -3.70 1.01 -1.25 -1.37 121.20 121.44 1b3l s ILE 277 Ca 0.38 0.56 -0.27 0.00 0.00 0.00 0.00 60.65 61.33 1b3l s ILE 277 Cb -0.18 -3.59 0.01 0.00 0.01 0.00 0.00 42.46 38.71 1b3l s ILE 277 CO 0.18 0.54 1.50 0.21 0.00 0.00 0.00 174.94 177.37 1b3l s ASN 278 N -0.64 5.84 0.20 3.58 3.84 -0.34 -4.68 114.94 122.74 1b3l s ASN 278 Ca 0.19 -0.22 0.22 0.00 0.21 0.00 0.00 52.86 53.26 1b3l s ASN 278 Cb -0.14 -2.55 0.90 0.00 -0.55 0.00 0.00 41.25 38.91 1b3l s ASN 278 CO 0.08 -2.04 1.66 0.59 -2.79 0.00 0.00 177.10 174.60 1b3l n ASN 279 N 10.64 0.52 -0.71 -4.21 3.02 -0.69 -2.55 115.26 121.27 1b3l n ASN 279 Ca 0.11 0.63 0.13 0.00 -0.03 0.00 0.00 54.58 55.41 1b3l n ASN 279 Cb 0.50 -0.74 0.25 0.00 -0.61 0.00 0.00 39.78 39.18 1b3l n ASN 279 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b3l n GLN 280 N -2.07 1.92 -3.76 3.52 1.13 -1.26 -3.80 117.38 113.05 1b3l n GLN 280 Ca 0.02 -1.44 -0.36 0.00 -1.94 0.00 0.00 57.00 53.28 1b3l n GLN 280 Cb 0.22 -1.47 -0.13 0.00 0.11 0.00 0.00 30.24 28.97 1b3l n GLN 280 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1b3l s LYS 281 N -2.07 3.65 0.38 -1.09 2.20 -1.06 -4.86 119.74 116.89 1b3l s LYS 281 Ca 0.30 -0.48 -0.27 0.00 -0.36 0.00 0.00 55.97 55.16 1b3l s LYS 281 Cb 0.20 -3.31 -0.10 0.00 -1.51 0.00 0.00 37.83 33.11 1b3l s LYS 281 CO 0.35 -0.19 1.41 0.00 -0.36 0.00 0.00 175.35 176.56 1b3l s ALA 282 N 1.61 3.46 -0.34 3.13 0.00 -1.26 -0.63 121.76 127.73 1b3l s ALA 282 Ca 0.06 1.44 0.10 0.00 0.00 0.00 0.00 51.96 53.56 1b3l s ALA 282 Cb -0.15 -3.56 0.72 0.00 0.00 0.00 0.00 23.12 20.13 1b3l s ALA 282 CO 0.03 -0.95 1.71 -0.35 0.00 0.00 0.00 175.76 176.20 1b3l n PRO 283 N 0.39 3.88 0.00 0.00 -0.04 -1.26 -4.90 135.00 133.06 1b3l n PRO 283 Ca 0.02 -2.86 0.15 0.00 -0.04 0.00 0.00 63.50 60.77 1b3l n PRO 283 Cb 0.41 -2.17 0.79 0.00 -0.04 0.00 0.00 33.50 32.49 1b3l n PRO 283 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1b3l n PHE 284 N 0.10 0.00 1.76 0.54 3.72 0.20 -2.05 117.46 121.74 1b3l n PHE 284 Ca 0.34 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.90 1b3l n PHE 284 Cb 1.26 -0.19 0.80 0.00 -0.94 0.00 0.00 39.48 40.41 1b3l n PHE 284 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1b3l n ASN 285 N -1.14 0.38 -4.56 4.37 6.94 -1.22 -4.67 115.26 115.36 1b3l n ASN 285 Ca 0.17 -0.97 -0.38 0.00 -0.02 0.00 0.00 54.58 53.38 1b3l n ASN 285 Cb 0.21 -0.03 -0.11 0.00 -2.36 0.00 0.00 39.78 37.48 1b3l n ASN 285 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1b3l s ASP 286 N -2.12 5.90 0.54 0.53 -1.08 -0.87 -4.97 116.67 114.61 1b3l s ASP 286 Ca 0.42 -0.08 0.21 0.00 -0.52 0.00 0.00 52.55 52.57 1b3l s ASP 286 Cb 0.21 -2.09 1.42 0.00 -1.46 0.00 0.00 42.92 41.00 1b3l s ASP 286 CO 0.39 -0.07 2.13 1.62 0.52 0.00 0.00 175.17 179.76 1b3l h VAL 287 N 5.41 0.82 -0.45 1.11 3.04 -1.88 -1.63 116.25 122.67 1b3l h VAL 287 Ca -0.35 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.30 1b3l h VAL 287 Cb 1.18 0.93 -0.02 0.00 -2.01 0.00 0.00 31.29 31.38 1b3l h VAL 287 CO 0.56 0.00 0.14 0.03 -1.01 0.00 0.00 177.57 177.30 1b3l h ARG 288 N 0.00 0.70 -0.35 4.17 3.08 -1.93 -0.37 114.38 119.68 1b3l h ARG 288 Ca 0.06 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 1b3l h ARG 288 Cb 0.24 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1b3l h ARG 288 CO -0.00 0.67 0.07 0.28 -1.07 0.00 0.00 179.97 179.92 1b3l h VAL 289 N 0.59 1.23 -0.73 2.04 2.07 -1.59 -1.73 116.25 118.13 1b3l h VAL 289 Ca 0.15 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1b3l h VAL 289 Cb 0.26 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1b3l h VAL 289 CO -0.01 0.27 0.41 0.03 0.02 0.00 0.00 177.57 178.29 1b3l h ARG 290 N 0.41 1.02 -0.52 1.57 3.08 -1.31 -2.59 114.38 116.03 1b3l h ARG 290 Ca 0.11 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 1b3l h ARG 290 Cb 0.33 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1b3l h ARG 290 CO 0.00 0.75 -0.07 1.15 -1.07 0.00 0.00 179.97 180.74 1b3l h THR 291 N 1.01 1.26 -0.25 2.04 2.02 -0.99 -1.74 112.91 116.26 1b3l h THR 291 Ca 0.26 -1.19 0.01 0.00 0.77 0.00 0.00 66.41 66.26 1b3l h THR 291 Cb 0.03 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1b3l h THR 291 CO -0.04 0.42 0.15 0.00 0.37 0.00 0.00 175.52 176.42 1b3l h ALA 292 N 1.06 0.31 -0.73 6.16 0.00 -1.12 -1.30 119.26 123.65 1b3l h ALA 292 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1b3l h ALA 292 Cb 0.60 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1b3l h ALA 292 CO 0.04 -0.24 0.47 -0.07 0.00 0.00 0.00 179.25 179.45 1b3l h LEU 293 N 0.31 0.85 -0.16 0.00 3.38 -1.30 -1.35 115.31 117.04 1b3l h LEU 293 Ca 0.09 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1b3l h LEU 293 Cb -0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1b3l h LEU 293 CO -0.04 0.63 0.09 0.50 0.09 0.00 0.00 178.44 179.71 1b3l h LYS 294 N 0.99 0.18 -0.29 1.13 3.64 -0.75 -3.09 116.57 118.38 1b3l h LYS 294 Ca 0.26 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.48 1b3l h LYS 294 Cb -0.09 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1b3l h LYS 294 CO -0.05 0.12 -0.43 -0.07 -2.27 0.00 0.00 179.45 176.74 1b3l h LEU 295 N 0.19 0.78 -0.27 5.20 3.38 -1.04 -3.28 115.31 120.26 1b3l h LEU 295 Ca 0.06 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1b3l h LEU 295 Cb 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1b3l h LEU 295 CO -0.04 1.10 0.00 0.00 0.09 0.00 0.00 178.44 179.59 1b3l n ALA 296 N -2.53 1.98 -2.50 1.53 0.00 -0.53 -4.53 120.51 113.94 1b3l n ALA 296 Ca -0.02 0.01 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 1b3l n ALA 296 Cb 0.55 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 1b3l n ALA 296 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1b3l s LEU 297 N -4.17 4.38 -0.56 0.00 0.20 -1.17 -4.69 118.68 112.68 1b3l s LEU 297 Ca 0.08 1.88 -0.16 0.00 0.69 0.00 0.00 54.13 56.62 1b3l s LEU 297 Cb 0.12 -3.58 0.13 0.00 -0.43 0.00 0.00 46.19 42.43 1b3l s LEU 297 CO 0.47 -0.36 0.54 -0.62 -0.29 0.00 0.00 176.35 176.09 1b3l s ASP 298 N 0.93 6.23 0.30 3.68 -1.08 -1.26 -4.92 116.67 120.55 1b3l s ASP 298 Ca 0.55 -1.82 0.03 0.00 -0.52 0.00 0.00 52.55 50.79 1b3l s ASP 298 Cb -0.26 -2.22 0.49 0.00 -1.46 0.00 0.00 42.92 39.47 1b3l s ASP 298 CO 0.29 -0.86 1.79 0.03 0.52 0.00 0.00 175.17 176.94 1b3l h ARG 299 N 8.84 0.50 0.07 4.34 3.08 -1.94 -2.24 114.38 127.03 1b3l h ARG 299 Ca -0.27 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 59.64 1b3l h ARG 299 Cb 1.09 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 1b3l h ARG 299 CO 1.03 0.63 -0.14 0.22 -1.07 0.00 0.00 179.97 180.64 1b3l h ASP 300 N 0.46 -0.39 0.28 7.04 3.58 -1.96 0.52 116.42 125.93 1b3l h ASP 300 Ca 0.08 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 1b3l h ASP 300 Cb 0.52 0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.73 1b3l h ASP 300 CO 0.03 -0.21 -0.13 0.40 -2.88 0.00 0.00 179.24 176.45 1b3l h ILE 301 N -0.27 0.76 0.12 2.25 2.04 -1.94 -1.24 117.51 119.23 1b3l h ILE 301 Ca 0.03 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1b3l h ILE 301 Cb 0.30 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1b3l h ILE 301 CO -0.09 0.07 -0.06 0.40 0.00 0.00 0.00 178.15 178.47 1b3l h ILE 302 N -0.53 0.92 0.12 -0.67 1.08 -1.33 0.70 117.51 117.79 1b3l h ILE 302 Ca -0.04 -0.11 -0.28 0.00 -0.39 0.00 0.00 64.86 64.04 1b3l h ILE 302 Cb 0.39 0.99 -0.00 0.00 -3.07 0.00 0.00 36.82 35.13 1b3l h ILE 302 CO 0.06 0.03 -1.41 0.58 -0.69 0.00 0.00 178.15 176.72 1b3l h VAL 303 N -0.21 1.04 0.12 1.67 2.07 -0.98 -1.60 116.25 118.36 1b3l h VAL 303 Ca -0.02 -2.41 -0.33 0.00 0.82 0.00 0.00 66.70 64.76 1b3l h VAL 303 Cb 0.16 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 1b3l h VAL 303 CO 0.03 0.71 -1.76 0.78 0.02 0.00 0.00 177.57 177.35 1b3l h ASN 304 N -0.28 0.41 0.01 0.57 2.35 -1.31 -1.10 115.58 116.22 1b3l h ASN 304 Ca -0.30 -0.70 -0.41 0.00 -0.55 0.00 0.00 56.30 54.33 1b3l h ASN 304 Cb 1.78 -0.13 -0.07 0.00 0.05 0.00 0.00 38.32 39.95 1b3l h ASN 304 CO 0.07 1.61 -2.46 0.29 -1.65 0.00 0.00 177.43 175.28 1b3l n LYS 305 N -3.44 0.63 -0.05 0.81 4.76 -0.88 -4.09 118.16 115.90 1b3l n LYS 305 Ca -0.23 0.20 -0.06 0.00 -2.87 0.00 0.00 58.31 55.35 1b3l n LYS 305 Cb 1.05 -1.52 -0.05 0.00 -1.84 0.00 0.00 35.03 32.67 1b3l n LYS 305 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1b3l h VAL 306 N -0.37 0.67 0.00 -0.18 2.07 -0.97 -3.42 116.25 114.05 1b3l h VAL 306 Ca -0.61 -1.48 -0.01 0.00 0.82 0.00 0.00 66.70 65.42 1b3l h VAL 306 Cb 1.79 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1b3l h VAL 306 CO -0.21 0.23 -0.12 0.50 0.02 0.00 0.00 177.57 177.99 1b3l h LYS 307 N -1.00 0.00 -6.12 1.57 3.64 -1.43 -3.49 116.57 109.75 1b3l h LYS 307 Ca -0.00 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 58.97 1b3l h LYS 307 Cb 0.38 0.00 0.08 0.00 -0.41 0.00 0.00 32.23 32.28 1b3l h LYS 307 CO 0.00 0.20 -0.90 -1.71 -2.27 0.00 0.00 179.45 174.77 1b3l n ASN 308 N -4.72 -3.99 -0.00 4.20 5.15 -0.41 -4.90 115.26 110.59 1b3l n ASN 308 Ca -0.04 -0.93 0.00 0.00 -0.60 0.00 0.00 54.58 53.01 1b3l n ASN 308 Cb 0.14 -3.75 0.00 0.00 -0.53 0.00 0.00 39.78 35.64 1b3l n ASN 308 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1b3l n GLN 309 N -4.10 2.78 -0.25 1.20 6.02 -1.26 -4.98 117.38 116.79 1b3l n GLN 309 Ca -0.16 -1.46 0.00 0.00 -0.01 0.00 0.00 57.00 55.37 1b3l n GLN 309 Cb 0.63 -0.98 0.00 0.00 1.02 0.00 0.00 30.24 30.91 1b3l n GLN 309 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1b3l n GLY 310 N -0.48 0.84 3.75 1.08 0.00 -1.26 -4.94 105.19 104.17 1b3l n GLY 310 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1b3l n GLY 310 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1b3l s ASP 311 N -2.16 3.79 -0.13 1.61 1.01 -1.26 -4.77 116.67 114.77 1b3l s ASP 311 Ca 0.00 1.43 -0.01 0.00 0.71 0.00 0.00 52.55 54.67 1b3l s ASP 311 Cb 0.00 -2.12 -0.02 0.00 1.01 0.00 0.00 42.92 41.79 1b3l s ASP 311 CO 0.00 -2.43 -0.09 -0.76 0.21 0.00 0.00 175.17 172.11 1b3l s LEU 312 N -6.08 2.99 0.18 1.23 1.02 -0.93 -4.91 118.68 112.18 1b3l s LEU 312 Ca 0.63 -0.20 -0.33 0.00 0.02 0.00 0.00 54.13 54.24 1b3l s LEU 312 Cb -0.17 -1.69 -0.14 0.00 0.02 0.00 0.00 46.19 44.21 1b3l s LEU 312 CO 0.56 0.20 1.45 -2.65 0.02 0.00 0.00 176.35 175.93 1b3l n PRO 313 N 3.30 1.89 -4.20 1.29 -0.02 -1.26 -0.38 135.00 135.62 1b3l n PRO 313 Ca -0.18 0.68 -0.33 0.00 -2.02 0.00 0.00 63.50 61.65 1b3l n PRO 313 Cb 0.53 -2.37 -0.08 0.00 -0.02 0.00 0.00 33.50 31.56 1b3l n PRO 313 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1b3l s ALA 314 N 0.40 3.42 0.00 3.55 0.00 -0.55 -4.72 121.76 123.86 1b3l s ALA 314 Ca 0.75 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.80 1b3l s ALA 314 Cb -0.72 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 20.95 1b3l s ALA 314 CO 0.45 0.66 0.77 2.48 0.00 0.00 0.00 175.76 180.12 1b3l n TYR 315 N 1.32 0.00 -4.06 0.00 0.18 -1.26 -4.47 117.16 108.86 1b3l n TYR 315 Ca -0.14 -0.29 -0.12 0.00 1.88 0.00 0.00 57.90 59.24 1b3l n TYR 315 Cb 0.53 -0.03 -0.05 0.00 -0.38 0.00 0.00 39.34 39.40 1b3l n TYR 315 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1b3l s SER 316 N -0.57 0.33 -0.15 9.48 1.04 -1.26 -4.83 113.70 117.75 1b3l s SER 316 Ca 0.00 -1.22 -0.10 0.00 0.48 0.00 0.00 55.95 55.11 1b3l s SER 316 Cb 0.00 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 1b3l s SER 316 CO 0.00 -1.16 -0.14 0.00 0.98 0.00 0.00 173.24 172.92 1b3l n TYR 317 N -0.44 0.96 -2.04 5.02 9.36 -1.26 -4.82 117.16 123.94 1b3l n TYR 317 Ca -0.00 0.42 -0.42 0.00 3.32 0.00 0.00 57.90 61.21 1b3l n TYR 317 Cb 0.62 -0.81 -0.03 0.00 -0.63 0.00 0.00 39.34 38.50 1b3l n TYR 317 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1b3l s THR 318 N -2.24 3.24 0.43 2.97 2.01 -1.26 -4.73 115.64 116.06 1b3l s THR 318 Ca -0.16 0.72 -0.26 0.00 0.31 0.00 0.00 61.69 62.30 1b3l s THR 318 Cb 0.02 -3.46 -0.09 0.00 0.01 0.00 0.00 72.50 68.98 1b3l s THR 318 CO 0.25 0.01 1.44 -2.84 -0.69 0.00 0.00 174.62 172.78 1b3l s PRO 319 N 2.30 3.81 0.41 4.92 0.02 -1.26 -4.88 135.00 140.31 1b3l s PRO 319 Ca 0.69 2.45 0.29 0.00 0.02 0.00 0.00 61.00 64.45 1b3l s PRO 319 Cb -0.37 -2.74 1.21 0.00 0.02 0.00 0.00 34.50 32.62 1b3l s PRO 319 CO 0.30 -0.73 1.86 -1.00 -0.33 0.00 0.00 177.00 177.10 1b3l h PRO 320 N 2.52 0.00 -0.57 5.54 0.13 -1.95 -2.28 132.00 135.38 1b3l h PRO 320 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1b3l h PRO 320 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1b3l h PRO 320 CO 0.62 0.00 0.00 2.48 -0.23 0.00 0.00 178.00 180.87 1b3l n TYR 321 N -2.66 0.88 -2.15 1.56 4.11 -1.26 -4.71 117.16 112.93 1b3l n TYR 321 Ca 0.01 -0.39 -0.41 0.00 -0.00 0.00 0.00 57.90 57.11 1b3l n TYR 321 Cb 0.26 -0.08 -0.02 0.00 -0.00 0.00 0.00 39.34 39.49 1b3l n TYR 321 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1b3l s THR 322 N -1.49 2.82 0.08 -3.48 2.01 -0.86 -4.94 115.64 109.78 1b3l s THR 322 Ca 0.37 0.81 -0.31 0.00 0.31 0.00 0.00 61.69 62.86 1b3l s THR 322 Cb 0.21 -3.51 -0.10 0.00 0.01 0.00 0.00 72.50 69.10 1b3l s THR 322 CO 0.22 0.18 1.89 -0.67 -0.69 0.00 0.00 174.62 175.55 1b3l n ASP 323 N 1.05 4.02 0.00 3.53 2.03 -1.26 -1.23 116.55 124.70 1b3l n ASP 323 Ca 0.01 0.96 0.00 0.00 0.52 0.00 0.00 54.79 56.27 1b3l n ASP 323 Cb 0.42 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 39.30 1b3l n ASP 323 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b3l n GLY 324 N 4.35 0.73 3.74 0.27 0.00 -1.26 -4.11 105.19 108.90 1b3l n GLY 324 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1b3l n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b3l s ALA 325 N -2.62 3.48 -0.44 4.61 0.00 -0.37 -4.74 121.76 121.68 1b3l s ALA 325 Ca 0.00 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 51.88 1b3l s ALA 325 Cb 0.00 -2.69 0.15 0.00 0.00 0.00 0.00 23.12 20.59 1b3l s ALA 325 CO 0.00 0.05 0.30 0.21 0.00 0.00 0.00 175.76 176.32 1b3l s LYS 326 N 0.37 1.15 0.33 0.00 2.47 -1.26 -4.88 119.74 117.91 1b3l s LYS 326 Ca 0.28 -2.06 -0.02 0.00 -1.56 0.00 0.00 55.97 52.62 1b3l s LYS 326 Cb -0.16 -1.94 -0.04 0.00 -1.46 0.00 0.00 37.83 34.23 1b3l s LYS 326 CO 0.13 -1.26 0.56 -0.51 0.16 0.00 0.00 175.35 174.43 1b3l s LEU 327 N 0.19 4.00 -0.23 5.43 1.43 -1.26 -4.64 118.68 123.61 1b3l s LEU 327 Ca 0.24 0.59 -0.07 0.00 -1.03 0.00 0.00 54.13 53.85 1b3l s LEU 327 Cb -0.12 -3.44 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 1b3l s LEU 327 CO -0.08 -0.27 0.06 -0.69 0.23 0.00 0.00 176.35 175.60 1b3l s VAL 328 N -2.25 4.36 0.13 -1.59 1.01 -1.26 -5.07 120.40 115.73 1b3l s VAL 328 Ca 0.42 -0.16 -0.31 0.00 0.00 0.00 0.00 61.98 61.93 1b3l s VAL 328 Cb -0.10 -3.02 -0.10 0.00 0.00 0.00 0.00 36.38 33.16 1b3l s VAL 328 CO 0.34 0.37 1.62 -0.70 0.00 0.00 0.00 175.10 176.73 1b3l s GLU 329 N 1.34 4.20 0.64 2.72 2.12 -1.26 -4.98 118.70 123.49 1b3l s GLU 329 Ca 0.05 2.38 -0.16 0.00 0.36 0.00 0.00 54.97 57.59 1b3l s GLU 329 Cb -0.15 -3.34 -0.01 0.00 0.26 0.00 0.00 34.13 30.90 1b3l s GLU 329 CO 0.03 -0.67 1.14 -1.25 -0.54 0.00 0.00 175.26 173.97 1b3l s PRO 330 N 1.77 2.82 0.31 4.30 0.05 -1.26 -4.95 135.00 138.04 1b3l s PRO 330 Ca 0.72 1.54 0.00 0.00 0.05 0.00 0.00 61.00 63.31 1b3l s PRO 330 Cb -0.43 -1.94 0.52 0.00 0.05 0.00 0.00 34.50 32.70 1b3l s PRO 330 CO 0.32 -1.26 1.95 0.93 0.05 0.00 0.00 177.00 178.99 1b3l h GLU 331 N 0.30 1.00 0.00 4.56 4.39 -2.01 -1.40 114.58 121.42 1b3l h GLU 331 Ca -0.48 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.14 1b3l h GLU 331 Cb 1.26 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 29.68 1b3l h GLU 331 CO 0.54 0.66 -0.11 0.11 -1.16 0.00 0.00 179.01 179.05 1b3l h TRP 332 N 1.04 0.00 0.00 4.33 5.08 -1.98 -1.25 115.95 123.17 1b3l h TRP 332 Ca 0.34 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.31 1b3l h TRP 332 Cb 0.05 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.21 1b3l h TRP 332 CO -0.00 0.11 0.00 0.34 -1.28 0.00 0.00 178.44 177.61 1b3l n PHE 333 N -3.80 0.96 0.38 0.12 7.35 -0.53 -3.16 117.46 118.78 1b3l n PHE 333 Ca -0.02 0.29 0.12 0.00 -0.76 0.00 0.00 57.45 57.08 1b3l n PHE 333 Cb 0.21 -0.97 0.10 0.00 0.35 0.00 0.00 39.48 39.17 1b3l n PHE 333 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1b3l h LYS 334 N 0.00 0.00 -7.35 -4.13 1.57 -1.25 -3.47 116.57 101.94 1b3l h LYS 334 Ca 0.00 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.34 1b3l h LYS 334 Cb 0.71 0.00 0.17 0.00 0.08 0.00 0.00 32.23 33.19 1b3l h LYS 334 CO 0.00 0.00 0.16 -1.58 -0.57 0.00 0.00 179.45 177.46 1b3l s TRP 335 N -3.24 1.73 0.76 -1.35 0.51 -1.18 -5.03 118.94 111.14 1b3l s TRP 335 Ca 0.04 0.89 -0.11 0.00 -2.12 0.00 0.00 56.10 54.79 1b3l s TRP 335 Cb 0.12 -3.29 0.05 0.00 -0.81 0.00 0.00 33.47 29.54 1b3l s TRP 335 CO 0.75 -3.20 1.10 -1.54 -0.51 0.00 0.00 176.95 173.55 1b3l s SER 336 N -3.47 4.84 0.20 2.95 1.04 -1.26 -4.92 113.70 113.08 1b3l s SER 336 Ca 0.67 1.21 -0.06 0.00 0.48 0.00 0.00 55.95 58.25 1b3l s SER 336 Cb -0.17 -1.96 0.15 0.00 0.10 0.00 0.00 66.02 64.13 1b3l s SER 336 CO 0.58 -1.74 1.62 -0.61 0.98 0.00 0.00 173.24 174.08 1b3l h GLN 337 N -0.93 0.86 -0.37 4.02 5.75 -1.96 -2.05 115.11 120.44 1b3l h GLN 337 Ca -0.46 -0.33 -0.04 0.00 -0.15 0.00 0.00 58.65 57.66 1b3l h GLN 337 Cb 1.27 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.75 1b3l h GLN 337 CO 0.61 0.97 0.05 -0.56 -2.65 0.00 0.00 178.83 177.25 1b3l h GLN 338 N 0.76 0.56 -0.32 1.69 -0.00 -1.99 0.57 115.11 116.38 1b3l h GLN 338 Ca 0.11 -0.11 -0.11 0.00 -0.00 0.00 0.00 58.65 58.55 1b3l h GLN 338 Cb 0.70 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.48 28.09 1b3l h GLN 338 CO 0.05 0.55 -0.22 -0.22 -0.00 0.00 0.00 178.83 178.99 1b3l h LYS 339 N 0.54 0.72 -0.48 0.06 3.11 -1.90 -1.80 116.57 116.82 1b3l h LYS 339 Ca 0.12 -0.34 0.03 0.00 -2.81 0.00 0.00 60.65 57.65 1b3l h LYS 339 Cb 0.28 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.46 1b3l h LYS 339 CO 0.00 0.95 0.27 0.00 -2.81 0.00 0.00 179.45 177.86 1b3l h ARG 340 N 0.48 0.52 -0.81 1.90 3.08 -0.85 -1.93 114.38 116.77 1b3l h ARG 340 Ca 0.06 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1b3l h ARG 340 Cb 0.77 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.66 1b3l h ARG 340 CO 0.06 0.34 0.41 -0.91 -1.07 0.00 0.00 179.97 178.80 1b3l h ASN 341 N 0.53 1.03 -0.32 7.04 2.35 -0.63 -0.17 115.58 125.43 1b3l h ASN 341 Ca 0.20 -0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.79 1b3l h ASN 341 Cb 0.05 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 1b3l h ASN 341 CO -0.11 0.86 0.02 -0.33 -1.65 0.00 0.00 177.43 176.22 1b3l h GLU 342 N 1.14 0.55 -0.50 0.81 5.08 -1.15 -0.79 114.58 119.72 1b3l h GLU 342 Ca 0.28 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1b3l h GLU 342 Cb 0.08 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1b3l h GLU 342 CO -0.04 0.67 0.14 1.49 -1.00 0.00 0.00 179.01 180.27 1b3l h GLU 343 N 0.36 0.79 -0.29 2.33 4.57 -1.25 -2.65 114.58 118.44 1b3l h GLU 343 Ca 0.09 -0.18 0.03 0.00 -1.18 0.00 0.00 59.36 58.12 1b3l h GLU 343 Cb 0.41 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 1b3l h GLU 343 CO 0.01 0.75 0.11 0.00 -1.18 0.00 0.00 179.01 178.71 1b3l h ALA 344 N 1.00 0.33 -0.66 2.92 0.00 -0.85 -1.73 119.26 120.27 1b3l h ALA 344 Ca 0.16 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1b3l h ALA 344 Cb 0.30 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1b3l h ALA 344 CO -0.00 -0.29 0.33 0.87 0.00 0.00 0.00 179.25 180.16 1b3l h LYS 345 N 0.25 0.95 -0.21 0.00 1.57 -1.11 -2.40 116.57 115.61 1b3l h LYS 345 Ca 0.13 -0.14 0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1b3l h LYS 345 Cb 0.08 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.16 1b3l h LYS 345 CO -0.12 0.75 -0.11 -0.22 -0.57 0.00 0.00 179.45 179.19 1b3l h LYS 346 N 0.92 -0.09 -0.34 3.15 3.64 -1.31 -1.78 116.57 120.77 1b3l h LYS 346 Ca 0.23 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1b3l h LYS 346 Cb 0.11 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1b3l h LYS 346 CO -0.03 -0.06 0.20 -0.07 -2.27 0.00 0.00 179.45 177.22 1b3l h LEU 347 N -0.09 0.32 -0.72 5.20 3.38 -1.20 -1.35 115.31 120.85 1b3l h LEU 347 Ca 0.12 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1b3l h LEU 347 Cb 0.26 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1b3l h LEU 347 CO -0.27 0.24 0.20 0.25 0.09 0.00 0.00 178.44 178.95 1b3l h LEU 348 N 0.41 1.06 -1.28 1.67 6.46 -1.38 -2.55 115.31 119.70 1b3l h LEU 348 Ca 0.13 -0.22 -0.02 0.00 -0.12 0.00 0.00 57.88 57.65 1b3l h LEU 348 Cb -0.00 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 39.62 1b3l h LEU 348 CO -0.06 1.00 0.25 0.00 -0.62 0.00 0.00 178.44 179.01 1b3l h ALA 349 N 1.10 1.44 -0.35 1.25 0.00 -1.13 -1.21 119.26 120.37 1b3l h ALA 349 Ca 0.23 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1b3l h ALA 349 Cb 0.33 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1b3l h ALA 349 CO -0.00 0.44 0.05 0.93 0.00 0.00 0.00 179.25 180.66 1b3l h GLU 350 N 0.74 0.52 0.00 0.00 5.08 -0.99 -0.12 114.58 119.81 1b3l h GLU 350 Ca 0.18 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1b3l h GLU 350 Cb 0.09 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1b3l h GLU 350 CO -0.02 0.51 0.00 0.00 -1.00 0.00 0.00 179.01 178.50 1b3l n ALA 351 N -2.48 2.41 0.00 3.43 0.00 -0.76 -4.93 120.51 118.18 1b3l n ALA 351 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1b3l n ALA 351 Cb 0.21 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1b3l n ALA 351 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b3l n GLY 352 N 1.09 0.79 3.36 0.00 0.00 -0.06 -5.08 105.19 105.29 1b3l n GLY 352 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1b3l n GLY 352 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b3l s PHE 353 N -2.00 2.69 0.27 1.61 0.08 -0.53 -4.96 117.98 115.15 1b3l s PHE 353 Ca 0.00 -0.60 0.06 0.00 0.12 0.00 0.00 56.93 56.51 1b3l s PHE 353 Cb 0.00 -1.74 -0.02 0.00 -0.57 0.00 0.00 43.02 40.69 1b3l s PHE 353 CO 0.00 -0.15 0.21 0.25 -0.10 0.00 0.00 175.22 175.43 1b3l n THR 354 N 3.15 0.00 -0.18 0.64 -2.24 -0.94 -2.76 114.28 111.95 1b3l n THR 354 Ca -0.18 -1.93 0.00 0.00 -2.27 0.00 0.00 64.05 59.67 1b3l n THR 354 Cb 0.52 0.93 0.25 0.00 -2.10 0.00 0.00 70.33 69.94 1b3l n THR 354 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b3l h ALA 355 N 1.81 1.44 0.00 6.98 0.00 -1.84 -1.26 119.26 126.39 1b3l h ALA 355 Ca -0.19 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1b3l h ALA 355 Cb 0.96 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1b3l h ALA 355 CO 0.29 0.48 0.00 0.38 0.00 0.00 0.00 179.25 180.40 1b3l h ASP 356 N 0.93 0.00 -2.20 0.00 2.03 -1.96 -3.37 116.42 111.84 1b3l h ASP 356 Ca 0.24 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 55.97 1b3l h ASP 356 Cb -0.04 0.00 -0.39 0.00 -0.83 0.00 0.00 39.33 38.07 1b3l h ASP 356 CO -0.05 0.00 -1.00 0.29 -1.03 0.00 0.00 179.24 177.46 1b3l n LYS 357 N -2.99 0.69 -1.88 4.15 4.76 -0.52 -5.12 118.16 117.24 1b3l n LYS 357 Ca 0.04 -3.37 -0.31 0.00 -2.87 0.00 0.00 58.31 51.80 1b3l n LYS 357 Cb 0.49 -1.51 0.01 0.00 -1.84 0.00 0.00 35.03 32.19 1b3l n LYS 357 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1b3l s PRO 358 N -0.82 3.46 -0.07 1.97 0.04 -0.93 -2.21 135.00 136.43 1b3l s PRO 358 Ca 0.34 0.87 -0.26 0.00 0.04 0.00 0.00 61.00 61.98 1b3l s PRO 358 Cb 0.11 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 1b3l s PRO 358 CO -0.14 -0.68 0.85 -1.17 0.04 0.00 0.00 177.00 175.89 1b3l s LEU 359 N -5.06 4.29 -0.05 -3.56 2.96 -1.26 -4.92 118.68 111.08 1b3l s LEU 359 Ca 0.57 1.36 0.05 0.00 -0.22 0.00 0.00 54.13 55.89 1b3l s LEU 359 Cb -0.12 -3.31 -0.02 0.00 0.50 0.00 0.00 46.19 43.23 1b3l s LEU 359 CO 0.50 -0.26 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.20 1b3l s THR 360 N 1.29 2.71 0.28 3.68 2.01 -1.26 -1.61 115.64 122.74 1b3l s THR 360 Ca 0.43 -0.85 -0.17 0.00 0.31 0.00 0.00 61.69 61.42 1b3l s THR 360 Cb -0.19 -2.04 0.01 0.00 0.01 0.00 0.00 72.50 70.30 1b3l s THR 360 CO 0.20 0.58 0.62 0.72 -0.69 0.00 0.00 174.62 176.05 1b3l s PHE 361 N -0.55 0.10 -0.03 4.92 -0.71 -0.72 -5.00 117.98 115.99 1b3l s PHE 361 Ca 0.08 -0.54 -0.09 0.00 -1.04 0.00 0.00 56.93 55.35 1b3l s PHE 361 Cb -0.11 0.49 -0.05 0.00 -1.21 0.00 0.00 43.02 42.14 1b3l s PHE 361 CO 0.01 -1.17 0.27 -0.51 -1.34 0.00 0.00 175.22 172.48 1b3l s ASP 362 N -2.98 6.54 -0.33 1.98 1.01 -1.26 -1.08 116.67 120.55 1b3l s ASP 362 Ca 0.17 0.63 -0.02 0.00 0.71 0.00 0.00 52.55 54.04 1b3l s ASP 362 Cb -0.04 -2.12 0.06 0.00 1.01 0.00 0.00 42.92 41.84 1b3l s ASP 362 CO 0.09 0.31 0.05 -0.22 0.21 0.00 0.00 175.17 175.61 1b3l s LEU 363 N -1.40 4.26 0.08 1.23 0.20 0.61 -2.85 118.68 120.81 1b3l s LEU 363 Ca 0.23 -1.47 -0.17 0.00 0.69 0.00 0.00 54.13 53.42 1b3l s LEU 363 Cb -0.14 -1.74 -0.07 0.00 -0.43 0.00 0.00 46.19 43.81 1b3l s LEU 363 CO 0.12 -0.33 0.53 -0.22 -0.29 0.00 0.00 176.35 176.16 1b3l s LEU 364 N 1.22 4.47 0.06 -0.68 2.96 0.83 -1.61 118.68 125.93 1b3l s LEU 364 Ca -0.01 1.15 -0.03 0.00 -0.22 0.00 0.00 54.13 55.02 1b3l s LEU 364 Cb -0.20 -2.93 -0.03 0.00 0.50 0.00 0.00 46.19 43.53 1b3l s LEU 364 CO -0.02 0.24 0.03 -0.72 -1.32 0.00 0.00 176.35 174.56 1b3l s TYR 365 N -1.20 0.42 0.02 5.38 1.13 -0.52 -0.43 117.35 122.15 1b3l s TYR 365 Ca 0.30 -0.94 -0.19 0.00 -1.41 0.00 0.00 57.07 54.83 1b3l s TYR 365 Cb -0.18 -0.30 -0.06 0.00 -1.10 0.00 0.00 41.96 40.32 1b3l s TYR 365 CO 0.18 -0.42 0.56 0.54 -2.51 0.00 0.00 175.55 173.90 1b3l s ASN 366 N -2.90 6.98 -0.15 -0.18 4.22 -1.26 -1.83 114.94 119.83 1b3l s ASN 366 Ca 0.06 1.17 -0.40 0.00 -2.14 0.00 0.00 52.86 51.55 1b3l s ASN 366 Cb 0.07 -2.35 -0.18 0.00 1.28 0.00 0.00 41.25 40.08 1b3l s ASN 366 CO -0.10 0.19 1.46 0.41 -2.04 0.00 0.00 177.10 177.02 1b3l n THR 367 N 2.25 0.10 0.00 0.54 -1.04 -0.68 -4.80 114.28 110.65 1b3l n THR 367 Ca -0.09 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 1b3l n THR 367 Cb 0.51 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 68.29 1b3l n THR 367 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1b3l n SER 368 N 3.48 0.00 0.05 8.00 2.88 -1.26 -4.83 113.62 121.94 1b3l n SER 368 Ca 0.23 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.59 1b3l n SER 368 Cb 0.11 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.47 1b3l n SER 368 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1b3l h ASP 369 N 0.00 0.82 -0.23 -3.46 3.32 -1.92 -2.60 116.42 112.35 1b3l h ASP 369 Ca 0.00 -0.66 -0.05 0.00 0.02 0.00 0.00 57.03 56.34 1b3l h ASP 369 Cb 0.00 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1b3l h ASP 369 CO 0.00 1.46 -0.04 0.25 -1.72 0.00 0.00 179.24 179.20 1b3l h LEU 370 N 0.35 0.44 -0.66 1.55 5.85 -1.91 -2.66 115.31 118.27 1b3l h LEU 370 Ca -0.12 -0.35 -0.11 0.00 0.84 0.00 0.00 57.88 58.14 1b3l h LEU 370 Cb 1.68 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.58 1b3l h LEU 370 CO 0.20 0.68 -0.11 0.45 -0.34 0.00 0.00 178.44 179.32 1b3l h HIS 371 N 0.19 1.04 -0.26 1.25 3.86 -1.88 -2.41 115.15 116.93 1b3l h HIS 371 Ca 0.06 -0.21 0.05 0.00 -1.16 0.00 0.00 60.37 59.11 1b3l h HIS 371 Cb 0.48 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 28.65 1b3l h HIS 371 CO 0.05 0.98 -0.01 -0.22 0.86 0.00 0.00 177.93 179.59 1b3l h LYS 372 N 0.84 0.07 -0.54 2.45 3.64 -1.48 -0.79 116.57 120.75 1b3l h LYS 372 Ca 0.13 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1b3l h LYS 372 Cb 0.65 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 1b3l h LYS 372 CO 0.04 0.04 0.33 0.87 -2.27 0.00 0.00 179.45 178.47 1b3l h LYS 373 N 0.07 0.74 -0.40 1.90 1.79 -1.24 -2.16 116.57 117.26 1b3l h LYS 373 Ca 0.13 -0.07 -0.06 0.00 -2.18 0.00 0.00 60.65 58.47 1b3l h LYS 373 Cb 0.17 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 1b3l h LYS 373 CO -0.22 0.53 0.01 -0.07 -1.08 0.00 0.00 179.45 178.63 1b3l h LEU 374 N 0.73 0.69 -0.52 2.94 3.38 -1.41 -2.28 115.31 118.83 1b3l h LEU 374 Ca 0.19 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.92 1b3l h LEU 374 Cb -0.01 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 1b3l h LEU 374 CO -0.04 0.82 0.25 0.00 0.09 0.00 0.00 178.44 179.56 1b3l h ALA 375 N 0.89 0.66 -0.33 1.53 0.00 -0.93 0.77 119.26 121.86 1b3l h ALA 375 Ca 0.12 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1b3l h ALA 375 Cb 0.46 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1b3l h ALA 375 CO 0.02 -0.11 0.06 0.82 0.00 0.00 0.00 179.25 180.03 1b3l h ILE 376 N 0.48 0.83 -0.30 0.00 2.04 -1.38 0.12 117.51 119.30 1b3l h ILE 376 Ca 0.24 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.99 1b3l h ILE 376 Cb 0.17 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1b3l h ILE 376 CO -0.18 0.03 0.01 0.00 0.00 0.00 0.00 178.15 178.01 1b3l h ALA 377 N 1.25 0.40 -0.69 1.87 0.00 -1.07 -1.76 119.26 119.25 1b3l h ALA 377 Ca 0.15 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1b3l h ALA 377 Cb 0.18 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1b3l h ALA 377 CO -0.21 0.13 0.28 0.28 0.00 0.00 0.00 179.25 179.73 1b3l h VAL 378 N 0.31 1.25 -0.83 0.00 2.07 -0.72 -0.55 116.25 117.78 1b3l h VAL 378 Ca 0.09 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 1b3l h VAL 378 Cb 0.41 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1b3l h VAL 378 CO 0.01 0.31 0.45 0.00 0.02 0.00 0.00 177.57 178.36 1b3l h ALA 379 N 1.13 1.23 -0.30 1.67 0.00 -0.56 -1.56 119.26 120.87 1b3l h ALA 379 Ca 0.23 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1b3l h ALA 379 Cb 0.21 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1b3l h ALA 379 CO -0.02 0.62 -0.25 1.03 0.00 0.00 0.00 179.25 180.63 1b3l h SER 380 N 1.16 0.73 -0.35 0.00 0.87 -1.09 -2.03 113.55 112.84 1b3l h SER 380 Ca 0.29 -0.45 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 1b3l h SER 380 Cb 0.03 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 1b3l h SER 380 CO -0.05 1.03 0.18 0.40 -0.53 0.00 0.00 176.83 177.86 1b3l h ILE 381 N 0.44 1.16 -0.87 2.23 2.04 -0.69 -1.05 117.51 120.77 1b3l h ILE 381 Ca 0.05 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 1b3l h ILE 381 Cb 0.81 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 1b3l h ILE 381 CO 0.06 0.16 0.43 -0.50 0.00 0.00 0.00 178.15 178.31 1b3l h TRP 382 N 0.44 1.23 -0.02 1.37 6.55 -1.34 0.89 115.95 125.07 1b3l h TRP 382 Ca 0.12 -0.05 -0.00 0.00 0.95 0.00 0.00 58.89 59.91 1b3l h TRP 382 Cb 0.10 -0.39 -0.00 0.00 -0.86 0.00 0.00 29.16 28.01 1b3l h TRP 382 CO -0.02 0.88 0.01 -0.22 -1.05 0.00 0.00 178.44 178.04 1b3l h LYS 383 N 1.23 0.03 -0.02 0.49 1.63 -1.27 0.13 116.57 118.79 1b3l h LYS 383 Ca 0.30 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 60.11 1b3l h LYS 383 Cb 0.09 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 1b3l h LYS 383 CO -0.04 0.16 -0.05 0.87 -3.45 0.00 0.00 179.45 176.94 1b3l h LYS 384 N -0.11 -0.08 0.00 1.90 1.57 -0.92 -0.32 116.57 118.61 1b3l h LYS 384 Ca 0.01 0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1b3l h LYS 384 Cb 0.14 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1b3l h LYS 384 CO -0.00 -0.05 -0.80 -0.91 -0.57 0.00 0.00 179.45 177.12 1b3l h ASN 385 N -0.08 0.00 0.00 0.86 2.35 -0.81 -3.41 115.58 114.49 1b3l h ASN 385 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1b3l h ASN 385 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1b3l h ASN 385 CO -0.07 0.42 -0.71 0.18 -1.65 0.00 0.00 177.43 175.61 1b3l n LEU 386 N -3.05 0.00 -0.03 1.61 4.77 0.42 -4.78 117.00 115.94 1b3l n LEU 386 Ca -0.02 -0.08 -0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1b3l n LEU 386 Cb 0.73 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.82 1b3l n LEU 386 CO 0.41 0.00 -0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1b3l n GLY 387 N 1.92 0.44 3.82 -0.72 0.00 -0.13 -4.48 105.19 106.03 1b3l n GLY 387 Ca 0.00 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.82 1b3l n GLY 387 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b3l s VAL 388 N -2.01 4.41 -0.23 1.61 1.01 -1.24 -4.57 120.40 119.37 1b3l s VAL 388 Ca 0.00 1.45 -0.07 0.00 0.00 0.00 0.00 61.98 63.36 1b3l s VAL 388 Cb 0.00 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1b3l s VAL 388 CO 0.00 -0.31 0.07 0.20 0.00 0.00 0.00 175.10 175.06 1b3l s ASN 389 N -2.18 5.29 -0.13 3.32 0.01 -0.64 -4.04 114.94 116.57 1b3l s ASN 389 Ca 0.61 -0.13 0.03 0.00 -0.71 0.00 0.00 52.86 52.67 1b3l s ASN 389 Cb -0.09 -1.94 0.01 0.00 0.41 0.00 0.00 41.25 39.64 1b3l s ASN 389 CO 0.13 0.02 -0.22 0.68 -1.51 0.00 0.00 177.10 176.20 1b3l s VAL 390 N 1.29 2.05 -0.21 1.60 -7.23 -1.26 -1.76 120.40 114.88 1b3l s VAL 390 Ca 0.05 -0.98 -0.17 0.00 -1.81 0.00 0.00 61.98 59.06 1b3l s VAL 390 Cb -0.15 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 1b3l s VAL 390 CO 0.04 0.55 0.47 0.20 -0.31 0.00 0.00 175.10 176.05 1b3l s ASN 391 N 0.71 6.49 0.21 4.85 0.02 -0.24 -4.94 114.94 122.04 1b3l s ASN 391 Ca -0.10 0.59 -0.30 0.00 -1.02 0.00 0.00 52.86 52.03 1b3l s ASN 391 Cb -0.16 -2.27 -0.08 0.00 0.02 0.00 0.00 41.25 38.76 1b3l s ASN 391 CO 0.01 -0.16 0.96 -0.76 0.02 0.00 0.00 177.10 177.16 1b3l s LEU 392 N 1.65 4.61 -0.02 0.60 1.02 -1.26 -0.28 118.68 124.99 1b3l s LEU 392 Ca 0.22 1.93 -0.01 0.00 0.02 0.00 0.00 54.13 56.29 1b3l s LEU 392 Cb -0.15 -3.61 0.01 0.00 0.02 0.00 0.00 46.19 42.47 1b3l s LEU 392 CO 0.09 0.09 0.04 -1.83 0.02 0.00 0.00 176.35 174.76 1b3l s GLU 393 N -0.91 0.01 0.08 1.70 -1.05 -0.63 -4.89 118.70 113.01 1b3l s GLU 393 Ca 0.43 0.12 0.08 0.00 -0.15 0.00 0.00 54.97 55.45 1b3l s GLU 393 Cb -0.26 -0.09 -0.04 0.00 -0.44 0.00 0.00 34.13 33.31 1b3l s GLU 393 CO 0.32 -0.07 -0.19 0.54 0.95 0.00 0.00 175.26 176.81 1b3l s ASN 394 N 0.45 3.76 0.11 0.83 4.22 -1.26 -1.44 114.94 121.61 1b3l s ASN 394 Ca -0.04 -0.52 0.04 0.00 -2.14 0.00 0.00 52.86 50.20 1b3l s ASN 394 Cb -0.05 -0.53 -0.04 0.00 1.28 0.00 0.00 41.25 41.91 1b3l s ASN 394 CO -0.01 0.21 -0.10 -1.10 -2.04 0.00 0.00 177.10 174.06 1b3l s GLN 395 N -1.80 0.91 0.80 3.55 -0.21 -0.76 -4.92 119.66 117.23 1b3l s GLN 395 Ca 0.16 -1.25 -0.11 0.00 0.02 0.00 0.00 55.36 54.19 1b3l s GLN 395 Cb -0.10 -0.55 0.07 0.00 1.00 0.00 0.00 33.01 33.43 1b3l s GLN 395 CO 0.07 0.08 1.10 -1.21 -2.12 0.00 0.00 175.29 173.21 1b3l s GLU 396 N -3.10 2.04 0.15 2.91 0.41 -1.26 -1.68 118.70 118.16 1b3l s GLU 396 Ca 0.09 1.25 -0.24 0.00 -0.41 0.00 0.00 54.97 55.66 1b3l s GLU 396 Cb -0.01 -1.87 0.01 0.00 -1.78 0.00 0.00 34.13 30.48 1b3l s GLU 396 CO -0.00 -1.82 1.62 2.35 -0.49 0.00 0.00 175.26 176.92 1b3l h TRP 397 N -1.23 -0.80 -0.65 1.61 2.91 -1.92 0.21 115.95 116.09 1b3l h TRP 397 Ca -0.44 0.04 -0.06 0.00 1.13 0.00 0.00 58.89 59.57 1b3l h TRP 397 Cb 1.24 0.38 -0.03 0.00 -0.51 0.00 0.00 29.16 30.24 1b3l h TRP 397 CO 0.56 -0.37 0.17 1.57 -1.03 0.00 0.00 178.44 179.35 1b3l h LYS 398 N -0.32 1.01 -0.33 2.65 2.10 -1.92 -2.03 116.57 117.73 1b3l h LYS 398 Ca 0.12 -0.22 -0.11 0.00 -2.00 0.00 0.00 60.65 58.44 1b3l h LYS 398 Cb 0.51 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.69 1b3l h LYS 398 CO -0.39 0.89 -0.21 1.15 -2.00 0.00 0.00 179.45 178.89 1b3l h THR 399 N 0.97 1.29 -0.68 0.07 2.02 -1.74 -2.80 112.91 112.04 1b3l h THR 399 Ca 0.21 -1.34 0.12 0.00 0.77 0.00 0.00 66.41 66.16 1b3l h THR 399 Cb 0.32 1.45 -0.08 0.00 -1.74 0.00 0.00 68.15 68.09 1b3l h THR 399 CO -0.00 0.44 0.25 0.15 0.37 0.00 0.00 175.52 176.73 1b3l h PHE 400 N 0.49 0.43 -0.29 3.16 3.57 -0.25 -0.92 116.94 123.14 1b3l h PHE 400 Ca 0.07 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 1b3l h PHE 400 Cb 0.76 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 1b3l h PHE 400 CO 0.06 0.07 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.09 1b3l h LEU 401 N 0.41 0.55 -0.61 0.59 3.38 -1.38 -2.82 115.31 115.44 1b3l h LEU 401 Ca 0.36 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1b3l h LEU 401 Cb 0.51 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1b3l h LEU 401 CO -0.37 0.78 0.39 -0.78 0.09 0.00 0.00 178.44 178.55 1b3l h ASP 402 N 0.32 0.72 -0.38 -0.43 3.58 -1.18 -2.23 116.42 116.82 1b3l h ASP 402 Ca 0.08 -0.04 0.08 0.00 0.42 0.00 0.00 57.03 57.56 1b3l h ASP 402 Cb 0.53 -0.18 -0.08 0.00 1.72 0.00 0.00 39.33 41.31 1b3l h ASP 402 CO 0.03 0.55 -0.20 0.74 -2.88 0.00 0.00 179.24 177.47 1b3l h THR 403 N 0.83 0.42 -0.58 2.25 2.02 -1.11 -0.80 112.91 115.94 1b3l h THR 403 Ca 0.22 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.36 1b3l h THR 403 Cb -0.05 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 1b3l h THR 403 CO -0.04 0.00 0.19 0.03 0.37 0.00 0.00 175.52 176.06 1b3l h ARG 404 N -0.14 0.89 -0.96 6.66 3.08 -1.24 0.18 114.38 122.86 1b3l h ARG 404 Ca 0.19 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1b3l h ARG 404 Cb 0.43 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.30 1b3l h ARG 404 CO -0.47 0.80 0.61 0.45 -1.07 0.00 0.00 179.97 180.29 1b3l h HIS 405 N 0.81 1.23 0.00 3.04 3.86 -0.95 -2.60 115.15 120.54 1b3l h HIS 405 Ca 0.19 0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.36 1b3l h HIS 405 Cb 0.27 -0.41 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 1b3l h HIS 405 CO 0.02 0.79 -0.26 1.96 0.86 0.00 0.00 177.93 181.29 1b3l h GLN 406 N 1.31 0.00 0.00 2.45 4.20 -0.82 -3.47 115.11 118.77 1b3l h GLN 406 Ca 0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.06 1b3l h GLN 406 Cb -0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.67 1b3l h GLN 406 CO -0.07 0.26 0.00 0.41 -0.67 0.00 0.00 178.83 178.76 1b3l n GLY 407 N -0.03 0.55 2.64 3.46 0.00 0.02 -4.96 105.19 106.86 1b3l n GLY 407 Ca -0.01 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 1b3l n GLY 407 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1b3l n THR 408 N -2.82 5.37 -3.89 2.61 -2.24 -1.11 -4.88 114.28 107.32 1b3l n THR 408 Ca 0.00 -5.17 -0.09 0.00 -2.27 0.00 0.00 64.05 56.52 1b3l n THR 408 Cb 0.04 -1.62 -0.04 0.00 -2.10 0.00 0.00 70.33 66.60 1b3l n THR 408 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1b3l s PHE 409 N -3.41 0.12 -0.05 4.78 -0.71 -1.26 -4.94 117.98 112.51 1b3l s PHE 409 Ca 0.46 -0.49 -0.06 0.00 -1.04 0.00 0.00 56.93 55.80 1b3l s PHE 409 Cb 0.24 0.33 -0.02 0.00 -1.21 0.00 0.00 43.02 42.36 1b3l s PHE 409 CO -0.17 -0.99 -0.11 -0.25 -1.34 0.00 0.00 175.22 172.36 1b3l n ASP 410 N -0.37 0.68 -4.02 1.98 8.00 -1.26 -4.71 116.55 116.85 1b3l n ASP 410 Ca -0.05 0.11 -0.22 0.00 0.71 0.00 0.00 54.79 55.34 1b3l n ASP 410 Cb 0.62 -0.50 -0.16 0.00 -0.02 0.00 0.00 41.12 41.06 1b3l n ASP 410 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1b3l s VAL 411 N -1.66 0.94 0.07 2.53 1.01 -1.13 -1.19 120.40 120.95 1b3l s VAL 411 Ca -0.09 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.54 1b3l s VAL 411 Cb 0.01 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 1b3l s VAL 411 CO 0.13 0.29 -0.18 0.00 0.00 0.00 0.00 175.10 175.35 1b3l s ALA 412 N 0.35 1.48 0.52 5.51 0.00 -0.47 -0.12 121.76 129.03 1b3l s ALA 412 Ca -0.07 -1.04 -0.20 0.00 0.00 0.00 0.00 51.96 50.65 1b3l s ALA 412 Cb -0.11 -0.22 -0.06 0.00 0.00 0.00 0.00 23.12 22.73 1b3l s ALA 412 CO 0.01 0.29 1.13 0.50 0.00 0.00 0.00 175.76 177.69 1b3l s ARG 413 N -1.50 3.47 0.15 0.00 3.00 0.42 -0.22 118.95 124.27 1b3l s ARG 413 Ca 0.03 1.63 -0.16 0.00 -1.00 0.00 0.00 55.73 56.23 1b3l s ARG 413 Cb -0.09 -2.09 0.03 0.00 0.00 0.00 0.00 34.95 32.80 1b3l s ARG 413 CO 0.02 -0.76 0.43 0.00 0.00 0.00 0.00 175.30 174.99 1b3l s ALA 414 N -1.74 -0.85 -0.07 6.12 0.00 0.36 -4.81 121.76 120.76 1b3l s ALA 414 Ca 0.71 -0.17 -0.06 0.00 0.00 0.00 0.00 51.96 52.43 1b3l s ALA 414 Cb -0.24 0.76 0.02 0.00 0.00 0.00 0.00 23.12 23.66 1b3l s ALA 414 CO 0.28 -0.69 0.19 0.20 0.00 0.00 0.00 175.76 175.74 1b3l s GLY 415 N -2.84 -0.14 -0.09 0.00 0.00 -1.26 -1.27 107.32 101.72 1b3l s GLY 415 Ca 0.06 0.56 0.03 0.00 0.00 0.00 0.00 44.72 45.38 1b3l s GLY 415 CO -0.08 0.51 -0.19 0.86 0.00 0.00 0.00 173.10 174.21 1b3l s TRP 416 N 0.18 2.07 0.02 1.90 -0.11 -0.84 -4.97 118.94 117.19 1b3l s TRP 416 Ca -0.01 -0.83 0.03 0.00 1.22 0.00 0.00 56.10 56.52 1b3l s TRP 416 Cb -0.02 -1.43 -0.04 0.00 -1.50 0.00 0.00 33.47 30.49 1b3l s TRP 416 CO -0.00 -0.36 -0.05 0.00 -4.62 0.00 0.00 176.95 171.91 1b3l s ALA 418 N -1.07 2.69 -0.29 0.00 0.00 -0.42 -4.94 121.76 117.72 1b3l s ALA 418 Ca 0.19 1.16 0.20 0.00 0.00 0.00 0.00 51.96 53.51 1b3l s ALA 418 Cb -0.11 -3.51 -0.28 0.00 0.00 0.00 0.00 23.12 19.22 1b3l s ALA 418 CO 0.10 -1.25 0.55 -0.25 0.00 0.00 0.00 175.76 174.91 1b3l n ASP 419 N -1.26 0.61 -3.73 0.00 8.00 -1.26 -4.96 116.55 113.95 1b3l n ASP 419 Ca 0.12 -0.29 -0.13 0.00 0.71 0.00 0.00 54.79 55.20 1b3l n ASP 419 Cb 0.47 1.63 -0.08 0.00 -0.02 0.00 0.00 41.12 43.12 1b3l n ASP 419 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1b3l s TYR 420 N -3.20 -0.22 -1.16 1.24 1.13 -1.26 -4.70 117.35 109.17 1b3l s TYR 420 Ca -0.03 0.29 -0.18 0.00 -1.41 0.00 0.00 57.07 55.74 1b3l s TYR 420 Cb 0.13 0.14 0.10 0.00 -1.10 0.00 0.00 41.96 41.24 1b3l s TYR 420 CO 0.81 -0.45 1.50 1.21 -2.51 0.00 0.00 175.55 176.11 1b3l s ASN 421 N -1.52 6.81 -0.25 -0.18 3.84 -1.26 -4.65 114.94 117.73 1b3l s ASN 421 Ca -0.11 -2.35 -0.27 0.00 0.21 0.00 0.00 52.86 50.35 1b3l s ASN 421 Cb -0.03 -2.50 0.13 0.00 -0.55 0.00 0.00 41.25 38.30 1b3l s ASN 421 CO 0.03 -1.10 1.06 -0.70 -2.79 0.00 0.00 177.10 173.60 1b3l s GLU 422 N 3.37 0.49 0.58 0.43 -6.30 -1.26 -4.44 118.70 111.57 1b3l s GLU 422 Ca 0.46 0.41 0.28 0.00 -2.50 0.00 0.00 54.97 53.62 1b3l s GLU 422 Cb -0.00 0.24 1.75 0.00 0.00 0.00 0.00 34.13 36.11 1b3l s GLU 422 CO -0.01 -0.09 2.22 -1.35 0.02 0.00 0.00 175.26 176.05 1b3l h PRO 423 N 3.58 0.00 0.00 4.30 0.11 -1.89 -2.16 132.00 135.93 1b3l h PRO 423 Ca -0.25 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.84 1b3l h PRO 423 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1b3l h PRO 423 CO 0.18 0.00 -0.08 1.79 -0.21 0.00 0.00 178.00 179.67 1b3l h THR 424 N 0.00 0.24 -0.24 -1.15 1.35 -1.96 -1.62 112.91 109.54 1b3l h THR 424 Ca 0.02 -0.67 0.07 0.00 -0.55 0.00 0.00 66.41 65.28 1b3l h THR 424 Cb 0.11 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.05 1b3l h THR 424 CO -0.00 0.08 0.18 -1.28 -0.25 0.00 0.00 175.52 174.25 1b3l h SER 425 N 0.00 0.00 0.00 5.36 0.87 -1.65 0.26 113.55 118.38 1b3l h SER 425 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1b3l h SER 425 Cb 0.53 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1b3l h SER 425 CO 0.01 0.00 -0.36 -0.26 -0.53 0.00 0.00 176.83 175.69 1b3l h PHE 426 N 0.00 0.00 -0.33 2.24 -1.00 -1.61 -3.43 116.94 112.82 1b3l h PHE 426 Ca 0.11 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.89 1b3l h PHE 426 Cb 0.47 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.01 1b3l h PHE 426 CO 0.00 0.00 0.19 -0.07 -1.61 0.00 0.00 178.31 176.83 1b3l h LEU 427 N -1.00 0.39 -2.22 1.54 3.38 -1.13 -1.40 115.31 114.86 1b3l h LEU 427 Ca -0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1b3l h LEU 427 Cb 0.36 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1b3l h LEU 427 CO -0.00 0.30 -0.06 0.78 0.09 0.00 0.00 178.44 179.55 1b3l h ASN 428 N 0.45 0.00 0.44 -0.43 2.35 -1.21 -2.16 115.58 115.02 1b3l h ASN 428 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1b3l h ASN 428 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1b3l h ASN 428 CO -0.02 0.06 0.00 0.35 -1.65 0.00 0.00 177.43 176.16 1b3l n THR 429 N -3.53 0.29 0.93 2.81 -2.24 -0.53 -2.64 114.28 109.37 1b3l n THR 429 Ca -0.02 0.07 0.11 0.00 -2.27 0.00 0.00 64.05 61.94 1b3l n THR 429 Cb 0.17 -0.70 0.06 0.00 -2.10 0.00 0.00 70.33 67.77 1b3l n THR 429 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1b3l n MET 430 N -1.29 1.87 -1.74 -0.78 2.81 -0.81 -3.13 117.12 114.04 1b3l n MET 430 Ca 0.11 -1.58 -0.38 0.00 -1.81 0.00 0.00 57.70 54.04 1b3l n MET 430 Cb 0.18 -1.43 0.05 0.00 -0.71 0.00 0.00 33.22 31.32 1b3l n MET 430 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1b3l n LEU 431 N 0.88 5.61 -0.06 4.03 4.32 -1.08 -4.75 117.00 125.94 1b3l n LEU 431 Ca 0.12 0.94 0.01 0.00 -0.02 0.00 0.00 56.01 57.06 1b3l n LEU 431 Cb 0.52 -1.57 0.30 0.00 -1.62 0.00 0.00 43.42 41.06 1b3l n LEU 431 CO 0.17 -0.70 1.06 0.77 -1.22 0.00 0.00 177.39 177.48 1b3l h SER 432 N 1.21 0.61 -0.57 -1.43 4.64 -1.88 -2.19 113.55 113.94 1b3l h SER 432 Ca -0.51 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 1b3l h SER 432 Cb 1.31 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1b3l h SER 432 CO 0.56 0.55 0.00 -0.90 -0.87 0.00 0.00 176.83 176.17 1b3l n ASP 433 N -4.36 3.46 -4.77 4.97 5.75 -1.26 -4.92 116.55 115.42 1b3l n ASP 433 Ca 0.04 -1.98 -0.41 0.00 -0.01 0.00 0.00 54.79 52.42 1b3l n ASP 433 Cb 0.15 -0.37 -0.02 0.00 -1.03 0.00 0.00 41.12 39.85 1b3l n ASP 433 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1b3l s SER 434 N -1.17 6.69 0.49 -1.12 0.15 -0.82 -4.89 113.70 113.02 1b3l s SER 434 Ca 0.43 2.75 0.32 0.00 0.70 0.00 0.00 55.95 60.15 1b3l s SER 434 Cb 0.23 -2.65 1.47 0.00 -1.71 0.00 0.00 66.02 63.36 1b3l s SER 434 CO 0.31 -0.60 1.97 0.77 1.20 0.00 0.00 173.24 176.88 1b3l h SER 435 N 3.45 0.00 -0.14 5.45 4.64 -1.91 -2.15 113.55 122.89 1b3l h SER 435 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1b3l h SER 435 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1b3l h SER 435 CO 0.66 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 177.21 1b3l n ASN 436 N -2.82 2.07 -4.52 4.97 5.03 -1.25 -4.78 115.26 113.96 1b3l n ASN 436 Ca 0.00 -1.73 -0.42 0.00 0.87 0.00 0.00 54.58 53.30 1b3l n ASN 436 Cb 0.22 -0.08 -0.02 0.00 -1.02 0.00 0.00 39.78 38.87 1b3l n ASN 436 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1b3l s ASN 437 N -1.74 6.65 0.00 6.41 3.84 -0.81 -4.71 114.94 124.58 1b3l s ASN 437 Ca 0.34 -1.94 0.28 0.00 0.21 0.00 0.00 52.86 51.76 1b3l s ASN 437 Cb 0.20 -2.50 1.12 0.00 -0.55 0.00 0.00 41.25 39.52 1b3l s ASN 437 CO 0.30 -1.24 1.79 0.35 -2.79 0.00 0.00 177.10 175.51 1b3l n THR 438 N 6.15 0.00 0.81 -5.21 -2.24 -1.26 -3.24 114.28 109.30 1b3l n THR 438 Ca 0.33 -0.09 0.13 0.00 -2.27 0.00 0.00 64.05 62.15 1b3l n THR 438 Cb 0.49 0.06 0.42 0.00 -2.10 0.00 0.00 70.33 69.20 1b3l n THR 438 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b3l n ALA 439 N -0.78 2.60 -3.36 6.98 0.00 -1.26 -4.83 120.51 119.85 1b3l n ALA 439 Ca 0.15 -0.14 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1b3l n ALA 439 Cb 0.29 -1.37 0.03 0.00 0.00 0.00 0.00 19.45 18.41 1b3l n ALA 439 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1b3l n HIS 440 N -1.84 -2.12 -3.34 0.00 8.25 -1.20 -1.70 115.22 113.28 1b3l n HIS 440 Ca 0.06 0.65 -0.38 0.00 -0.26 0.00 0.00 57.72 57.78 1b3l n HIS 440 Cb 0.38 -4.07 -0.06 0.00 1.12 0.00 0.00 29.99 27.37 1b3l n HIS 440 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1b3l s TYR 441 N -3.16 3.74 -0.29 4.41 5.04 -1.26 -4.21 117.35 121.63 1b3l s TYR 441 Ca 0.44 1.15 -0.03 0.00 -2.44 0.00 0.00 57.07 56.19 1b3l s TYR 441 Cb -0.21 -2.45 0.10 0.00 0.35 0.00 0.00 41.96 39.74 1b3l s TYR 441 CO 0.54 0.54 0.12 0.15 -1.34 0.00 0.00 175.55 175.56 1b3l s LYS 442 N -0.84 0.35 -0.13 4.97 1.02 -1.26 -4.38 119.74 119.47 1b3l s LYS 442 Ca 0.27 -0.67 0.00 0.00 0.02 0.00 0.00 55.97 55.59 1b3l s LYS 442 Cb -0.18 -1.44 0.02 0.00 -0.52 0.00 0.00 37.83 35.71 1b3l s LYS 442 CO 0.16 -0.99 -0.12 0.45 -0.92 0.00 0.00 175.35 173.93 1b3l s SER 443 N 1.95 2.45 0.26 2.83 0.15 -1.26 -5.02 113.70 115.06 1b3l s SER 443 Ca 0.09 -0.41 -0.03 0.00 0.70 0.00 0.00 55.95 56.30 1b3l s SER 443 Cb -0.16 -1.04 0.33 0.00 -1.71 0.00 0.00 66.02 63.44 1b3l s SER 443 CO -0.32 -0.07 1.81 -0.65 1.20 0.00 0.00 173.24 175.21 1b3l h PRO 444 N 8.00 0.93 -0.04 5.44 0.11 -1.99 -0.09 132.00 144.36 1b3l h PRO 444 Ca -0.34 -0.19 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 1b3l h PRO 444 Cb 1.14 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1b3l h PRO 444 CO 0.48 0.81 0.02 0.00 -0.21 0.00 0.00 178.00 179.10 1b3l h ALA 445 N 1.29 0.05 -0.01 -0.75 0.00 -1.99 -1.34 119.26 116.50 1b3l h ALA 445 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1b3l h ALA 445 Cb 0.29 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1b3l h ALA 445 CO -0.01 -0.40 -0.01 0.35 0.00 0.00 0.00 179.25 179.19 1b3l h PHE 446 N -0.04 -0.02 -0.86 0.00 3.57 -1.91 -1.77 116.94 115.91 1b3l h PHE 446 Ca 0.01 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.59 1b3l h PHE 446 Cb 0.10 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.79 1b3l h PHE 446 CO -0.04 -0.01 0.56 -0.44 -2.23 0.00 0.00 178.31 176.15 1b3l h ASP 447 N -0.01 0.83 -0.24 0.41 3.32 -0.81 -2.44 116.42 117.48 1b3l h ASP 447 Ca 0.01 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 56.90 1b3l h ASP 447 Cb 0.02 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 1b3l h ASP 447 CO -0.02 0.52 -0.46 0.50 -1.72 0.00 0.00 179.24 178.06 1b3l h LYS 448 N 0.93 0.81 -0.53 3.56 3.64 -1.16 -1.44 116.57 122.38 1b3l h LYS 448 Ca 0.38 -0.46 0.07 0.00 -1.27 0.00 0.00 60.65 59.37 1b3l h LYS 448 Cb 0.27 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.06 1b3l h LYS 448 CO -0.15 1.10 0.19 -0.07 -2.27 0.00 0.00 179.45 178.25 1b3l h LEU 449 N 0.65 0.19 -0.40 5.20 3.38 -0.86 -0.66 115.31 122.82 1b3l h LEU 449 Ca 0.04 0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 1b3l h LEU 449 Cb 1.04 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1b3l h LEU 449 CO 0.10 0.13 -0.42 0.40 0.09 0.00 0.00 178.44 178.74 1b3l h ILE 450 N 0.37 1.27 -0.69 1.22 1.08 -1.39 -2.95 117.51 116.43 1b3l h ILE 450 Ca 0.26 -1.60 0.03 0.00 -0.39 0.00 0.00 64.86 63.16 1b3l h ILE 450 Cb 0.28 1.45 -0.04 0.00 -3.07 0.00 0.00 36.82 35.44 1b3l h ILE 450 CO -0.26 0.53 0.46 0.00 -0.69 0.00 0.00 178.15 178.19 1b3l h ALA 451 N 0.79 1.61 0.00 1.87 0.00 -0.90 -1.92 119.26 120.71 1b3l h ALA 451 Ca 0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1b3l h ALA 451 Cb 1.02 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1b3l h ALA 451 CO 0.10 0.32 -0.13 -0.44 0.00 0.00 0.00 179.25 179.10 1b3l h ASP 452 N 0.83 0.00 0.39 0.00 5.19 -1.06 -2.80 116.42 118.98 1b3l h ASP 452 Ca 0.28 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.67 1b3l h ASP 452 Cb 0.07 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.58 1b3l h ASP 452 CO -0.08 0.13 -0.07 0.71 -3.12 0.00 0.00 179.24 176.81 1b3l h THR 453 N 0.00 0.36 -0.03 0.35 1.35 -1.17 -0.99 112.91 112.77 1b3l h THR 453 Ca -0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1b3l h THR 453 Cb 0.45 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1b3l h THR 453 CO 0.02 0.07 0.00 0.18 -0.25 0.00 0.00 175.52 175.54 1b3l n LEU 454 N -3.45 1.67 -0.65 3.87 7.99 -1.05 -4.23 117.00 121.15 1b3l n LEU 454 Ca -0.02 -0.57 0.07 0.00 -0.01 0.00 0.00 56.01 55.48 1b3l n LEU 454 Cb 0.21 -0.01 0.09 0.00 -0.11 0.00 0.00 43.42 43.60 1b3l n LEU 454 CO 0.27 0.29 0.52 0.29 -1.51 0.00 0.00 177.39 177.25 1b3l n LYS 455 N 0.31 1.42 -1.61 3.23 5.02 -0.38 -4.58 118.16 121.57 1b3l n LYS 455 Ca 0.18 -1.56 -0.31 0.00 -2.02 0.00 0.00 58.31 54.61 1b3l n LYS 455 Cb 0.38 -1.30 0.05 0.00 -0.02 0.00 0.00 35.03 34.14 1b3l n LYS 455 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1b3l s VAL 456 N -1.19 4.08 -0.79 -0.18 -7.23 -1.19 -5.00 120.40 108.89 1b3l s VAL 456 Ca 0.20 0.68 0.23 0.00 -1.81 0.00 0.00 61.98 61.28 1b3l s VAL 456 Cb 0.13 -3.45 -0.10 0.00 0.56 0.00 0.00 36.38 33.52 1b3l s VAL 456 CO 0.19 -0.88 1.11 0.00 -0.31 0.00 0.00 175.10 175.21 1b3l n ALA 457 N -3.09 3.69 -3.23 1.32 0.00 -1.26 -4.97 120.51 112.97 1b3l n ALA 457 Ca 0.07 -0.42 -0.14 0.00 0.00 0.00 0.00 53.44 52.95 1b3l n ALA 457 Cb 0.54 -0.98 -0.07 0.00 0.00 0.00 0.00 19.45 18.94 1b3l n ALA 457 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1b3l s ASP 458 N -3.50 -0.32 0.54 0.00 1.47 -1.26 -5.05 116.67 108.56 1b3l s ASP 458 Ca 0.07 0.12 0.21 0.00 1.18 0.00 0.00 52.55 54.12 1b3l s ASP 458 Cb 0.16 0.41 1.40 0.00 -0.34 0.00 0.00 42.92 44.54 1b3l s ASP 458 CO 0.79 -0.60 2.12 0.44 0.68 0.00 0.00 175.17 178.59 1b3l h ASP 459 N 3.21 0.00 -0.54 2.11 3.32 -1.99 -1.60 116.42 120.92 1b3l h ASP 459 Ca -0.30 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.64 1b3l h ASP 459 Cb 1.19 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.72 1b3l h ASP 459 CO 0.42 0.00 -0.07 0.74 -1.72 0.00 0.00 179.24 178.61 1b3l h THR 460 N 0.00 1.27 -0.17 0.35 2.02 -2.00 -2.15 112.91 112.23 1b3l h THR 460 Ca 0.07 -1.22 -0.12 0.00 0.77 0.00 0.00 66.41 65.90 1b3l h THR 460 Cb 0.28 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1b3l h THR 460 CO -0.00 0.44 -0.42 -0.61 0.37 0.00 0.00 175.52 175.30 1b3l h GLN 461 N 0.92 0.39 -0.31 6.66 4.15 -1.73 -2.74 115.11 122.45 1b3l h GLN 461 Ca 0.15 -0.20 0.05 0.00 0.77 0.00 0.00 58.65 59.42 1b3l h GLN 461 Cb 0.63 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.28 1b3l h GLN 461 CO 0.04 0.74 0.06 -0.09 -1.93 0.00 0.00 178.83 177.65 1b3l h ARG 462 N 0.32 0.16 -0.74 1.69 2.43 -1.13 -2.02 114.38 115.09 1b3l h ARG 462 Ca 0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1b3l h ARG 462 Cb 0.88 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.35 1b3l h ARG 462 CO 0.07 0.11 0.47 0.77 -1.51 0.00 0.00 179.97 179.88 1b3l h SER 463 N 0.17 0.88 -0.68 -3.80 0.02 -1.35 -2.18 113.55 106.61 1b3l h SER 463 Ca 0.15 -0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1b3l h SER 463 Cb 0.16 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 1b3l h SER 463 CO -0.20 0.67 0.44 -0.33 -1.14 0.00 0.00 176.83 176.26 1b3l h GLU 464 N 1.01 0.85 -0.52 3.45 5.08 -1.21 -2.47 114.58 120.77 1b3l h GLU 464 Ca 0.27 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 1b3l h GLU 464 Cb -0.07 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 1b3l h GLU 464 CO -0.05 0.56 0.07 -0.07 -1.00 0.00 0.00 179.01 178.52 1b3l h LEU 465 N 0.87 0.78 -0.85 1.33 3.38 -0.82 -1.66 115.31 118.34 1b3l h LEU 465 Ca 0.26 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1b3l h LEU 465 Cb -0.04 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1b3l h LEU 465 CO -0.08 0.81 0.16 1.88 0.09 0.00 0.00 178.44 181.30 1b3l h TYR 466 N 0.79 1.06 -0.41 1.13 0.05 -1.08 0.47 116.97 118.98 1b3l h TYR 466 Ca 0.16 -0.11 -0.13 0.00 0.05 0.00 0.00 58.73 58.70 1b3l h TYR 466 Cb 0.37 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 1b3l h TYR 466 CO 0.02 0.87 -0.24 0.00 -1.05 0.00 0.00 178.16 177.76 1b3l h ALA 467 N 1.20 0.57 -0.75 3.88 0.00 -1.26 -1.71 119.26 121.19 1b3l h ALA 467 Ca 0.21 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1b3l h ALA 467 Cb 0.34 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1b3l h ALA 467 CO -0.00 0.57 0.30 0.87 0.00 0.00 0.00 179.25 180.99 1b3l h LYS 468 N 0.69 1.12 -0.43 0.00 1.57 -1.09 -1.23 116.57 117.20 1b3l h LYS 468 Ca 0.08 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1b3l h LYS 468 Cb 0.81 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 1b3l h LYS 468 CO 0.07 0.91 0.28 0.00 -0.57 0.00 0.00 179.45 180.13 1b3l h ALA 469 N 1.23 0.54 -0.95 3.86 0.00 -0.72 -1.54 119.26 121.69 1b3l h ALA 469 Ca 0.25 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1b3l h ALA 469 Cb 0.21 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1b3l h ALA 469 CO -0.02 -0.01 0.62 0.93 0.00 0.00 0.00 179.25 180.77 1b3l h GLU 470 N 0.57 1.18 -0.60 0.00 4.39 -1.12 -1.32 114.58 117.68 1b3l h GLU 470 Ca 0.16 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 1b3l h GLU 470 Cb -0.06 -0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 28.29 1b3l h GLU 470 CO -0.04 0.78 0.28 1.96 -1.16 0.00 0.00 179.01 180.84 1b3l h GLN 471 N 1.22 0.86 -0.17 2.33 4.20 -0.90 -0.61 115.11 122.03 1b3l h GLN 471 Ca 0.37 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.93 1b3l h GLN 471 Cb -0.04 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 1b3l h GLN 471 CO -0.10 0.67 -0.00 0.37 -0.67 0.00 0.00 178.83 179.10 1b3l h GLN 472 N 0.85 0.31 -0.88 1.46 5.75 -0.82 0.82 115.11 122.61 1b3l h GLN 472 Ca 0.21 -0.10 0.04 0.00 -0.15 0.00 0.00 58.65 58.65 1b3l h GLN 472 Cb 0.11 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.58 1b3l h GLN 472 CO -0.03 0.53 0.58 1.25 -2.65 0.00 0.00 178.83 178.51 1b3l h LEU 473 N 0.06 0.94 -0.39 -2.39 5.85 -0.94 -1.56 115.31 116.88 1b3l h LEU 473 Ca 0.05 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.63 1b3l h LEU 473 Cb 0.39 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1b3l h LEU 473 CO 0.01 0.64 -0.29 -0.78 -0.34 0.00 0.00 178.44 177.68 1b3l h ASP 474 N 1.08 0.92 -0.28 1.25 3.58 -0.90 -0.54 116.42 121.54 1b3l h ASP 474 Ca 0.35 -0.44 -0.05 0.00 0.42 0.00 0.00 57.03 57.32 1b3l h ASP 474 Cb 0.05 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.83 1b3l h ASP 474 CO -0.11 1.17 0.03 0.50 -2.88 0.00 0.00 179.24 177.94 1b3l h LYS 475 N 0.69 0.59 -0.01 0.28 3.64 -0.55 -1.42 116.57 119.79 1b3l h LYS 475 Ca 0.07 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1b3l h LYS 475 Cb 0.87 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1b3l h LYS 475 CO 0.08 0.59 -0.12 -0.25 -2.27 0.00 0.00 179.45 177.48 1b3l n ASP 476 N -4.28 0.62 -4.02 4.20 8.00 -0.61 -4.95 116.55 115.52 1b3l n ASP 476 Ca 0.02 -0.72 -0.28 0.00 0.71 0.00 0.00 54.79 54.52 1b3l n ASP 476 Cb 0.24 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 1b3l n ASP 476 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1b3l n SER 477 N -0.81 -0.47 0.01 -2.24 7.64 -0.24 -4.84 113.62 112.67 1b3l n SER 477 Ca 0.15 -1.08 -0.00 0.00 1.01 0.00 0.00 58.87 58.95 1b3l n SER 477 Cb 0.29 -2.71 0.30 0.00 -1.01 0.00 0.00 64.21 61.07 1b3l n SER 477 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b3l h ALA 478 N 0.86 1.36 -2.64 -0.43 0.00 -1.77 -3.44 119.26 113.20 1b3l h ALA 478 Ca -0.64 -0.21 -0.37 0.00 0.00 0.00 0.00 54.91 53.69 1b3l h ALA 478 Cb 1.38 -0.14 -0.14 0.00 0.00 0.00 0.00 17.79 18.89 1b3l h ALA 478 CO 0.63 0.44 -0.56 0.96 0.00 0.00 0.00 179.25 180.72 1b3l s ILE 479 N -4.93 0.09 -0.37 0.00 -4.36 -1.26 -3.96 121.20 106.41 1b3l s ILE 479 Ca -0.07 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.32 1b3l s ILE 479 Cb 0.15 -2.50 0.10 0.00 1.25 0.00 0.00 42.46 41.46 1b3l s ILE 479 CO 0.76 0.00 0.13 -0.69 0.24 0.00 0.00 174.94 175.38 1b3l s VAL 480 N -3.76 2.80 0.28 8.37 1.01 -0.14 -4.93 120.40 124.02 1b3l s VAL 480 Ca 0.39 -2.19 -0.29 0.00 0.00 0.00 0.00 61.98 59.88 1b3l s VAL 480 Cb 0.05 -2.98 -0.10 0.00 0.00 0.00 0.00 36.38 33.35 1b3l s VAL 480 CO 0.19 -0.64 1.29 -2.84 0.00 0.00 0.00 175.10 173.09 1b3l s PRO 481 N 1.03 4.40 0.01 2.72 0.02 -1.26 -0.56 135.00 141.35 1b3l s PRO 481 Ca 0.09 2.11 -0.05 0.00 0.02 0.00 0.00 61.00 63.18 1b3l s PRO 481 Cb -0.21 -3.13 -0.02 0.00 0.02 0.00 0.00 34.50 31.16 1b3l s PRO 481 CO -0.06 -0.16 -0.10 0.28 -0.33 0.00 0.00 177.00 176.62 1b3l n VAL 482 N 1.52 1.22 -3.56 3.83 0.31 -0.38 -4.75 118.33 116.52 1b3l n VAL 482 Ca 0.02 0.28 -0.12 0.00 -0.01 0.00 0.00 64.34 64.51 1b3l n VAL 482 Cb 0.42 -1.79 -0.04 0.00 -0.91 0.00 0.00 33.84 31.52 1b3l n VAL 482 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 1b3l s TYR 483 N -2.25 -0.37 -0.12 3.52 -0.85 -1.05 -1.48 117.35 114.74 1b3l s TYR 483 Ca -0.09 0.24 -0.19 0.00 -0.52 0.00 0.00 57.07 56.52 1b3l s TYR 483 Cb 0.02 0.36 -0.04 0.00 0.38 0.00 0.00 41.96 42.67 1b3l s TYR 483 CO 0.13 -0.70 0.50 0.71 -1.52 0.00 0.00 175.55 174.67 1b3l s TYR 484 N -3.17 3.51 0.71 -3.49 2.02 0.49 -0.48 117.35 116.94 1b3l s TYR 484 Ca -0.01 0.92 -0.12 0.00 -0.37 0.00 0.00 57.07 57.49 1b3l s TYR 484 Cb 0.00 -2.59 0.02 0.00 -0.40 0.00 0.00 41.96 38.99 1b3l s TYR 484 CO -0.07 0.13 1.08 0.71 -1.57 0.00 0.00 175.55 175.83 1b3l s TYR 485 N 0.74 2.81 0.17 2.71 1.51 -0.55 -2.20 117.35 122.54 1b3l s TYR 485 Ca 0.27 1.50 0.05 0.00 -1.01 0.00 0.00 57.07 57.89 1b3l s TYR 485 Cb -0.15 -3.00 -0.04 0.00 -0.11 0.00 0.00 41.96 38.66 1b3l s TYR 485 CO 0.11 -1.52 0.13 0.14 -1.11 0.00 0.00 175.55 173.30 1b3l s VAL 486 N -2.83 4.42 -0.57 0.71 -7.23 -1.26 -3.49 120.40 110.15 1b3l s VAL 486 Ca 0.61 -1.13 -0.18 0.00 -1.81 0.00 0.00 61.98 59.46 1b3l s VAL 486 Cb -0.16 -3.27 0.10 0.00 0.56 0.00 0.00 36.38 33.61 1b3l s VAL 486 CO 0.52 -0.13 0.65 0.21 -0.31 0.00 0.00 175.10 176.04 1b3l s ASN 487 N -3.15 6.19 -0.14 4.85 2.47 0.17 -4.87 114.94 120.46 1b3l s ASN 487 Ca 0.31 -1.43 0.01 0.00 0.42 0.00 0.00 52.86 52.17 1b3l s ASN 487 Cb -0.10 -2.28 -0.00 0.00 -1.45 0.00 0.00 41.25 37.42 1b3l s ASN 487 CO 0.23 -1.03 -0.17 0.00 -3.72 0.00 0.00 177.10 172.42 1b3l s ALA 488 N 2.46 2.45 0.23 1.71 0.00 -1.26 -1.62 121.76 125.73 1b3l s ALA 488 Ca 0.10 -1.01 -0.15 0.00 0.00 0.00 0.00 51.96 50.90 1b3l s ALA 488 Cb -0.25 -1.15 0.01 0.00 0.00 0.00 0.00 23.12 21.74 1b3l s ALA 488 CO 0.06 0.06 0.51 -0.98 0.00 0.00 0.00 175.76 175.41 1b3l s ARG 489 N 0.68 1.50 -0.20 0.00 1.70 -0.52 -3.92 118.95 118.19 1b3l s ARG 489 Ca -0.08 -1.08 -0.08 0.00 -0.47 0.00 0.00 55.73 54.02 1b3l s ARG 489 Cb -0.16 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.68 1b3l s ARG 489 CO 0.02 -0.63 0.07 -0.51 -1.08 0.00 0.00 175.30 173.17 1b3l s LEU 490 N -2.95 3.77 -0.12 -1.89 1.43 -1.26 -0.43 118.68 117.23 1b3l s LEU 490 Ca 0.16 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.30 1b3l s LEU 490 Cb -0.01 -1.97 0.02 0.00 0.03 0.00 0.00 46.19 44.25 1b3l s LEU 490 CO 0.04 0.12 -0.14 -0.69 0.23 0.00 0.00 176.35 175.91 1b3l s VAL 491 N 0.68 1.46 0.51 -1.59 1.01 -0.33 -1.91 120.40 120.23 1b3l s VAL 491 Ca 0.04 -0.60 -0.22 0.00 0.00 0.00 0.00 61.98 61.20 1b3l s VAL 491 Cb -0.13 -1.36 -0.07 0.00 0.00 0.00 0.00 36.38 34.82 1b3l s VAL 491 CO 0.02 0.44 1.05 0.29 0.00 0.00 0.00 175.10 176.90 1b3l n LYS 492 N 4.44 1.26 0.24 2.72 4.76 -0.82 -4.57 118.16 126.19 1b3l n LYS 492 Ca -0.18 0.47 0.16 0.00 -2.87 0.00 0.00 58.31 55.88 1b3l n LYS 492 Cb 0.51 -2.19 0.85 0.00 -1.84 0.00 0.00 35.03 32.35 1b3l n LYS 492 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 1b3l h PRO 493 N 1.14 0.00 -0.00 1.97 0.11 -1.93 -1.33 132.00 131.96 1b3l h PRO 493 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1b3l h PRO 493 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1b3l h PRO 493 CO 0.55 0.00 -0.15 -2.67 -0.21 0.00 0.00 178.00 175.51 1b3l n TRP 494 N -3.88 0.00 -2.55 0.65 2.14 -1.26 -4.76 117.44 107.78 1b3l n TRP 494 Ca -0.01 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.14 1b3l n TRP 494 Cb 0.21 -0.31 -0.02 0.00 -0.81 0.00 0.00 31.31 30.38 1b3l n TRP 494 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 1b3l s VAL 495 N -2.77 4.50 0.32 -1.67 1.01 -0.50 -1.01 120.40 120.27 1b3l s VAL 495 Ca 0.20 1.80 0.08 0.00 0.00 0.00 0.00 61.98 64.07 1b3l s VAL 495 Cb 0.19 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1b3l s VAL 495 CO 0.54 -0.13 0.14 -0.83 0.00 0.00 0.00 175.10 174.82 1b3l s GLY 496 N 1.52 1.82 0.00 4.51 0.00 0.17 -4.63 107.32 110.70 1b3l s GLY 496 Ca 0.50 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 43.48 1b3l s GLY 496 CO 0.12 -1.70 0.00 0.61 0.00 0.00 0.00 173.10 172.13 1b3l n GLY 497 N -1.13 0.81 3.46 0.20 0.00 -1.26 -2.06 105.19 105.22 1b3l n GLY 497 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1b3l n GLY 497 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1b3l s TYR 498 N -2.97 2.87 0.09 1.61 5.04 -1.26 -4.81 117.35 117.91 1b3l s TYR 498 Ca 0.00 -0.95 -0.04 0.00 -2.44 0.00 0.00 57.07 53.64 1b3l s TYR 498 Cb 0.00 -4.31 -0.25 0.00 0.35 0.00 0.00 41.96 37.75 1b3l s TYR 498 CO 0.00 -1.59 1.17 1.79 -1.34 0.00 0.00 175.55 175.58 1b3l h THR 499 N 5.96 1.49 0.00 4.34 1.35 -1.96 -3.48 112.91 120.61 1b3l h THR 499 Ca -0.06 -2.96 0.00 0.00 -0.55 0.00 0.00 66.41 62.84 1b3l h THR 499 Cb 1.05 2.85 0.00 0.00 -1.73 0.00 0.00 68.15 70.32 1b3l h THR 499 CO 1.16 0.87 0.00 0.61 -0.25 0.00 0.00 175.52 177.91 1b3l n GLY 500 N 1.42 0.79 0.19 5.82 0.00 -1.26 -4.91 105.19 107.24 1b3l n GLY 500 Ca -0.08 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.08 1b3l n GLY 500 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b3l n LYS 501 N -2.04 0.94 -3.23 1.61 5.02 -1.26 -4.69 118.16 114.50 1b3l n LYS 501 Ca 0.00 -0.39 -0.42 0.00 -2.02 0.00 0.00 58.31 55.48 1b3l n LYS 501 Cb 0.00 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.44 1b3l n LYS 501 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1b3l s ASP 502 N -2.33 6.31 0.00 4.39 2.15 -1.26 -4.68 116.67 121.25 1b3l s ASP 502 Ca 0.32 -0.07 0.20 0.00 0.43 0.00 0.00 52.55 53.43 1b3l s ASP 502 Cb 0.20 -2.27 0.85 0.00 -0.30 0.00 0.00 42.92 41.40 1b3l s ASP 502 CO 0.44 -0.51 1.64 -0.81 -0.17 0.00 0.00 175.17 175.76 1b3l n PRO 503 N 5.78 0.01 0.00 4.34 -0.04 -1.26 -2.05 135.00 141.78 1b3l n PRO 503 Ca -0.05 0.16 0.12 0.00 -0.04 0.00 0.00 63.50 63.69 1b3l n PRO 503 Cb 0.49 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.66 1b3l n PRO 503 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1b3l n LEU 504 N -1.49 1.06 -3.81 1.53 4.77 -1.26 -1.14 117.00 116.65 1b3l n LEU 504 Ca 0.05 -0.31 -0.29 0.00 -0.03 0.00 0.00 56.01 55.43 1b3l n LEU 504 Cb 0.23 -0.12 0.04 0.00 -2.33 0.00 0.00 43.42 41.24 1b3l n LEU 504 CO 0.18 0.21 0.14 -0.67 -1.33 0.00 0.00 177.39 175.92 1b3l n ASP 505 N -0.89 -5.22 -4.12 -1.43 2.03 -0.87 -4.88 116.55 101.18 1b3l n ASP 505 Ca 0.09 -0.70 -0.43 0.00 0.52 0.00 0.00 54.79 54.27 1b3l n ASP 505 Cb 0.36 -4.15 0.00 0.00 -0.72 0.00 0.00 41.12 36.62 1b3l n ASP 505 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1b3l n ASN 506 N -2.85 4.64 -4.77 1.67 3.02 -1.26 -4.99 115.26 110.72 1b3l n ASN 506 Ca 0.03 -2.94 -0.39 0.00 -0.03 0.00 0.00 54.58 51.26 1b3l n ASN 506 Cb 0.53 -1.63 -0.05 0.00 -0.61 0.00 0.00 39.78 38.02 1b3l n ASN 506 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1b3l s ILE 507 N 2.66 3.80 -0.10 2.41 -1.09 -1.26 -4.89 121.20 122.72 1b3l s ILE 507 Ca 0.47 1.63 0.03 0.00 -2.23 0.00 0.00 60.65 60.55 1b3l s ILE 507 Cb 0.08 -3.97 -0.01 0.00 -1.58 0.00 0.00 42.46 36.98 1b3l s ILE 507 CO -0.01 0.26 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.45 1b3l s TYR 508 N -1.38 2.64 0.25 3.97 1.51 -1.26 -4.86 117.35 118.22 1b3l s TYR 508 Ca 0.48 -0.83 0.29 0.00 -1.01 0.00 0.00 57.07 56.01 1b3l s TYR 508 Cb -0.26 -1.74 1.33 0.00 -0.11 0.00 0.00 41.96 41.18 1b3l s TYR 508 CO 0.33 -0.30 1.99 0.28 -1.11 0.00 0.00 175.55 176.74 1b3l h VAL 509 N 5.47 0.35 -0.06 0.71 2.07 -1.93 -0.10 116.25 122.76 1b3l h VAL 509 Ca -0.24 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.61 1b3l h VAL 509 Cb 1.22 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1b3l h VAL 509 CO 0.50 0.11 0.07 0.07 0.02 0.00 0.00 177.57 178.35 1b3l h LYS 510 N 0.00 0.00 -0.00 1.57 2.10 -1.95 -1.91 116.57 116.38 1b3l h LYS 510 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1b3l h LYS 510 Cb 0.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 1b3l h LYS 510 CO 0.01 0.00 -0.21 0.09 -2.00 0.00 0.00 179.45 177.34 1b3l n ASN 511 N -3.72 0.60 -4.98 7.07 3.02 -0.05 -0.75 115.26 116.45 1b3l n ASN 511 Ca -0.02 -0.52 -0.19 0.00 -0.03 0.00 0.00 54.58 53.82 1b3l n ASN 511 Cb 0.17 0.01 0.04 0.00 -0.61 0.00 0.00 39.78 39.38 1b3l n ASN 511 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1b3l s LEU 512 N -2.62 3.36 -0.07 3.41 1.43 -0.72 -4.50 118.68 118.97 1b3l s LEU 512 Ca 0.23 -0.48 -0.30 0.00 -1.03 0.00 0.00 54.13 52.55 1b3l s LEU 512 Cb 0.19 -2.31 0.10 0.00 0.03 0.00 0.00 46.19 44.21 1b3l s LEU 512 CO 0.53 -1.12 0.85 -0.72 0.23 0.00 0.00 176.35 176.13 1b3l s TYR 513 N -2.60 -0.46 -0.27 0.29 1.13 -0.87 -4.21 117.35 110.36 1b3l s TYR 513 Ca 0.59 0.66 -0.10 0.00 -1.41 0.00 0.00 57.07 56.81 1b3l s TYR 513 Cb -0.08 0.47 -0.05 0.00 -1.10 0.00 0.00 41.96 41.20 1b3l s TYR 513 CO 0.37 -0.50 0.16 0.42 -2.51 0.00 0.00 175.55 173.49 1b3l s ILE 514 N -1.77 5.09 0.14 -3.49 -1.09 -1.26 0.43 121.20 119.25 1b3l s ILE 514 Ca -0.03 0.10 -0.30 0.00 -2.23 0.00 0.00 60.65 58.19 1b3l s ILE 514 Cb -0.00 -3.42 -0.07 0.00 -1.58 0.00 0.00 42.46 37.39 1b3l s ILE 514 CO 0.01 0.27 0.98 -0.63 -1.23 0.00 0.00 174.94 174.34 1b3l s ILE 515 N 1.69 4.33 0.20 2.92 1.01 -0.18 -0.53 121.20 130.64 1b3l s ILE 515 Ca 0.07 2.01 -0.33 0.00 0.00 0.00 0.00 60.65 62.41 1b3l s ILE 515 Cb -0.16 -4.28 -0.13 0.00 0.01 0.00 0.00 42.46 37.89 1b3l s ILE 515 CO 0.09 0.35 1.53 1.17 0.00 0.00 0.00 174.94 178.07 1b3l n LYS 516 N 2.48 2.18 0.00 2.79 4.81 0.35 -4.36 118.16 126.42 1b3l n LYS 516 Ca 0.02 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.24 1b3l n LYS 516 Cb 0.48 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 33.02 1b3l n LYS 516 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18