#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a4l n GLY 2 N 0.00 1.08 3.74 -5.12 0.00 -1.26 -5.16 105.19 98.47 3a4l n GLY 2 Ca 0.00 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 3a4l n GLY 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a4l s ASP 3 N 1.00 4.95 -0.01 1.61 1.11 -1.26 -5.12 116.67 118.94 3a4l s ASP 3 Ca 0.00 -0.53 -0.01 0.00 0.18 0.00 0.00 52.55 52.18 3a4l s ASP 3 Cb 0.00 -1.01 -0.04 0.00 1.07 0.00 0.00 42.92 42.94 3a4l s ASP 3 CO 0.00 -0.10 0.12 -0.63 1.18 0.00 0.00 175.17 175.73 3a4l s ILE 4 N -2.28 4.99 0.01 0.77 1.01 -1.26 -4.93 121.20 119.51 3a4l s ILE 4 Ca 0.34 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.68 3a4l s ILE 4 Cb -0.06 -3.30 -0.01 0.00 0.01 0.00 0.00 42.46 39.10 3a4l s ILE 4 CO 0.23 0.34 -0.03 -0.32 0.00 0.00 0.00 174.94 175.16 3a4l s MET 5 N -1.80 0.23 -0.24 2.79 1.75 -1.26 -4.05 119.30 116.73 3a4l s MET 5 Ca 0.24 -0.33 -0.16 0.00 -1.25 0.00 0.00 55.69 54.20 3a4l s MET 5 Cb -0.12 -0.06 -0.04 0.00 2.84 0.00 0.00 34.83 37.45 3a4l s MET 5 CO 0.15 0.01 0.40 -1.17 -0.65 0.00 0.00 175.02 173.76 3a4l s LEU 6 N -0.71 4.10 -0.25 4.11 2.96 -0.65 -2.42 118.68 125.82 3a4l s LEU 6 Ca -0.06 0.42 -0.06 0.00 -0.22 0.00 0.00 54.13 54.20 3a4l s LEU 6 Cb -0.05 -2.49 -0.01 0.00 0.50 0.00 0.00 46.19 44.14 3a4l s LEU 6 CO -0.00 -0.14 0.04 -0.63 -1.32 0.00 0.00 176.35 174.30 3a4l s ILE 7 N 1.71 3.95 -0.33 6.68 1.01 0.12 -0.63 121.20 133.71 3a4l s ILE 7 Ca 0.17 -0.40 -0.08 0.00 0.00 0.00 0.00 60.65 60.34 3a4l s ILE 7 Cb -0.15 -2.88 0.02 0.00 0.01 0.00 0.00 42.46 39.46 3a4l s ILE 7 CO 0.09 0.30 0.12 -0.63 0.00 0.00 0.00 174.94 174.81 3a4l s ILE 8 N 1.55 4.09 0.50 2.92 1.01 0.20 0.07 121.20 131.54 3a4l s ILE 8 Ca 0.05 -0.86 -0.16 0.00 0.00 0.00 0.00 60.65 59.68 3a4l s ILE 8 Cb -0.15 -3.22 -0.08 0.00 0.01 0.00 0.00 42.46 39.02 3a4l s ILE 8 CO 0.01 -0.08 0.96 -0.76 0.00 0.00 0.00 174.94 175.07 3a4l s LEU 9 N 1.49 3.67 -0.13 2.97 1.43 -0.75 -0.68 118.68 126.67 3a4l s LEU 9 Ca 0.01 1.53 -0.15 0.00 -1.03 0.00 0.00 54.13 54.49 3a4l s LEU 9 Cb -0.18 -4.46 0.04 0.00 0.03 0.00 0.00 46.19 41.62 3a4l s LEU 9 CO 0.04 -0.55 0.41 0.28 0.23 0.00 0.00 176.35 176.76 3a4l s THR 10 N -2.57 0.01 0.00 5.49 -1.32 -0.67 -4.58 115.64 112.00 3a4l s THR 10 Ca 0.58 -0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.99 3a4l s THR 10 Cb -0.10 -0.61 0.00 0.00 -1.51 0.00 0.00 72.50 70.28 3a4l s THR 10 CO 0.30 -0.04 0.00 0.61 -2.21 0.00 0.00 174.62 173.28 3a4l n GLY 11 N 2.52 3.34 3.79 6.08 0.00 -0.97 -0.45 105.19 119.50 3a4l n GLY 11 Ca -0.15 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 3a4l n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a4l s LEU 12 N 0.00 3.10 0.23 0.99 1.43 -1.26 -4.41 118.68 118.77 3a4l s LEU 12 Ca 0.00 1.75 -0.31 0.00 -1.03 0.00 0.00 54.13 54.53 3a4l s LEU 12 Cb 0.00 -4.51 -0.13 0.00 0.03 0.00 0.00 46.19 41.58 3a4l s LEU 12 CO 0.00 -1.75 1.48 -2.65 0.23 0.00 0.00 176.35 173.66 3a4l n PRO 13 N -3.27 2.19 -0.29 1.29 -0.02 -1.26 -1.56 135.00 132.08 3a4l n PRO 13 Ca 0.08 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 3a4l n PRO 13 Cb 0.53 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3a4l n PRO 13 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a4l n GLY 14 N 2.43 1.15 0.21 -1.23 0.00 -1.26 -4.93 105.19 101.57 3a4l n GLY 14 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.22 3a4l n GLY 14 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3a4l h VAL 15 N 0.00 0.78 0.00 1.61 3.04 -1.63 -3.46 116.25 116.58 3a4l h VAL 15 Ca 0.00 -1.22 0.00 0.00 -1.01 0.00 0.00 66.70 64.47 3a4l h VAL 15 Cb 0.00 1.76 0.00 0.00 -2.01 0.00 0.00 31.29 31.04 3a4l h VAL 15 CO 0.00 0.29 0.00 0.61 -1.01 0.00 0.00 177.57 177.46 3a4l n GLY 16 N -0.02 1.92 0.15 3.17 0.00 -1.26 -4.85 105.19 104.30 3a4l n GLY 16 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3a4l n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a4l h LYS 17 N 0.00 0.45 -0.28 1.61 1.57 -1.90 0.10 116.57 118.12 3a4l h LYS 17 Ca 0.00 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.61 3a4l h LYS 17 Cb 0.00 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 3a4l h LYS 17 CO 0.00 0.30 -0.40 0.77 -0.57 0.00 0.00 179.45 179.55 3a4l h SER 18 N 0.46 0.84 -0.37 0.86 0.02 -1.96 0.11 113.55 113.52 3a4l h SER 18 Ca 0.12 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 3a4l h SER 18 Cb -0.05 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 3a4l h SER 18 CO -0.03 1.18 0.24 0.74 -1.14 0.00 0.00 176.83 177.83 3a4l h THR 19 N 0.52 1.09 -0.59 -2.27 2.02 -1.96 -1.91 112.91 109.81 3a4l h THR 19 Ca 0.03 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 67.08 3a4l h THR 19 Cb 0.99 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.91 3a4l h THR 19 CO 0.09 0.09 0.34 0.15 0.37 0.00 0.00 175.52 176.57 3a4l h PHE 20 N 0.50 0.64 -0.56 3.16 3.57 -0.65 -2.08 116.94 121.51 3a4l h PHE 20 Ca 0.14 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.66 3a4l h PHE 20 Cb -0.06 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.45 3a4l h PHE 20 CO -0.05 0.35 0.36 0.77 -2.23 0.00 0.00 178.31 177.51 3a4l h SER 21 N 0.67 0.62 -0.59 0.41 0.02 -0.46 0.17 113.55 114.38 3a4l h SER 21 Ca 0.24 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.08 3a4l h SER 21 Cb 0.07 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 3a4l h SER 21 CO -0.12 0.45 -0.03 0.11 -1.14 0.00 0.00 176.83 176.10 3a4l h LYS 22 N 0.74 1.07 -0.40 3.45 1.57 -1.11 0.60 116.57 122.48 3a4l h LYS 22 Ca 0.21 -0.35 -0.07 0.00 -1.87 0.00 0.00 60.65 58.56 3a4l h LYS 22 Cb -0.07 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 3a4l h LYS 22 CO -0.05 1.06 -0.02 -0.91 -0.57 0.00 0.00 179.45 178.96 3a4l h ASN 23 N 0.96 0.72 -0.38 0.86 2.35 -1.07 -1.93 115.58 117.09 3a4l h ASN 23 Ca 0.16 -0.32 -0.07 0.00 -0.55 0.00 0.00 56.30 55.53 3a4l h ASN 23 Cb 0.59 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 3a4l h ASN 23 CO 0.04 0.86 -0.02 0.25 -1.65 0.00 0.00 177.43 176.91 3a4l h LEU 24 N 0.55 0.67 -1.09 1.61 5.85 -0.85 -2.13 115.31 119.92 3a4l h LEU 24 Ca 0.11 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.53 3a4l h LEU 24 Cb 0.50 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 3a4l h LEU 24 CO 0.02 0.83 0.61 0.00 -0.34 0.00 0.00 178.44 179.57 3a4l h ALA 25 N 0.86 1.37 -0.40 1.25 0.00 -0.84 -0.69 119.26 120.82 3a4l h ALA 25 Ca 0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3a4l h ALA 25 Cb 0.50 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3a4l h ALA 25 CO 0.02 0.56 0.14 -0.22 0.00 0.00 0.00 179.25 179.75 3a4l h LYS 26 N 1.22 0.61 -0.18 0.00 3.11 -1.15 -0.57 116.57 119.61 3a4l h LYS 26 Ca 0.36 -0.13 -0.16 0.00 -2.81 0.00 0.00 60.65 57.91 3a4l h LYS 26 Cb -0.07 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.06 3a4l h LYS 26 CO -0.09 0.60 -0.55 0.97 -2.81 0.00 0.00 179.45 177.57 3a4l h ILE 27 N 0.50 1.32 -0.60 2.00 2.10 -0.98 -1.13 117.51 120.72 3a4l h ILE 27 Ca 0.13 -1.80 -0.03 0.00 1.08 0.00 0.00 64.86 64.23 3a4l h ILE 27 Cb 0.24 1.78 -0.03 0.00 -1.09 0.00 0.00 36.82 37.72 3a4l h ILE 27 CO -0.01 0.56 0.26 -0.07 -1.08 0.00 0.00 178.15 177.81 3a4l h LEU 28 N 0.41 0.81 -0.91 2.19 3.38 -1.04 -2.70 115.31 117.45 3a4l h LEU 28 Ca 0.01 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 3a4l h LEU 28 Cb 1.09 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 3a4l h LEU 28 CO 0.10 0.74 -0.22 0.77 0.09 0.00 0.00 178.44 179.93 3a4l h SER 29 N 0.82 0.55 -0.39 -0.43 4.64 -0.96 -0.99 113.55 116.79 3a4l h SER 29 Ca 0.20 -0.18 0.11 0.00 -0.47 0.00 0.00 61.79 61.45 3a4l h SER 29 Cb 0.17 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 3a4l h SER 29 CO -0.02 0.77 0.28 0.11 -0.87 0.00 0.00 176.83 177.10 3a4l h LYS 30 N 0.49 0.00 -0.68 4.77 1.57 -0.91 0.31 116.57 122.11 3a4l h LYS 30 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3a4l h LYS 30 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3a4l h LYS 30 CO 0.05 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.02 3a4l n ASN 31 N -4.41 3.39 -1.32 0.86 3.02 -0.49 -4.90 115.26 111.40 3a4l n ASN 31 Ca 0.06 -2.41 -0.13 0.00 -0.03 0.00 0.00 54.58 52.07 3a4l n ASN 31 Cb 0.47 -0.53 -0.02 0.00 -0.61 0.00 0.00 39.78 39.09 3a4l n ASN 31 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3a4l n ASN 32 N 0.45 -4.23 -4.75 6.41 5.15 0.11 -5.00 115.26 113.41 3a4l n ASN 32 Ca 0.16 0.10 -0.38 0.00 -0.60 0.00 0.00 54.58 53.85 3a4l n ASN 32 Cb 0.69 -3.24 -0.06 0.00 -0.53 0.00 0.00 39.78 36.64 3a4l n ASN 32 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3a4l s ILE 33 N -2.59 5.10 -0.33 -1.44 -1.09 -0.53 -4.78 121.20 115.52 3a4l s ILE 33 Ca 0.00 1.03 -0.23 0.00 -2.23 0.00 0.00 60.65 59.21 3a4l s ILE 33 Cb 0.00 -3.84 0.00 0.00 -1.58 0.00 0.00 42.46 37.05 3a4l s ILE 33 CO 0.00 0.38 0.78 -1.81 -1.23 0.00 0.00 174.94 173.06 3a4l s ASP 34 N 0.21 6.60 0.02 3.58 1.01 -1.26 -3.86 116.67 122.97 3a4l s ASP 34 Ca 0.27 0.51 0.02 0.00 0.71 0.00 0.00 52.55 54.07 3a4l s ASP 34 Cb -0.16 -2.40 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 3a4l s ASP 34 CO 0.13 -0.67 -0.07 0.54 0.21 0.00 0.00 175.17 175.30 3a4l s VAL 35 N 3.02 0.56 -0.00 -1.27 0.11 -1.26 -1.00 120.40 120.56 3a4l s VAL 35 Ca 0.32 -0.66 0.04 0.00 -2.93 0.00 0.00 61.98 58.75 3a4l s VAL 35 Cb -0.14 -0.54 -0.01 0.00 -1.53 0.00 0.00 36.38 34.16 3a4l s VAL 35 CO 0.15 -0.08 -0.13 -0.51 -3.33 0.00 0.00 175.10 171.19 3a4l s ILE 36 N -0.70 1.04 -0.28 7.04 2.07 -0.50 -4.96 121.20 124.92 3a4l s ILE 36 Ca -0.03 -0.64 -0.10 0.00 -1.41 0.00 0.00 60.65 58.47 3a4l s ILE 36 Cb -0.06 -0.89 -0.04 0.00 0.13 0.00 0.00 42.46 41.61 3a4l s ILE 36 CO 0.00 0.24 0.15 -0.69 -1.91 0.00 0.00 174.94 172.73 3a4l s VAL 37 N -0.41 4.93 -0.04 4.00 1.01 -1.26 -1.11 120.40 127.52 3a4l s VAL 37 Ca 0.04 -0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.04 3a4l s VAL 37 Cb -0.06 -3.36 -0.00 0.00 0.00 0.00 0.00 36.38 32.96 3a4l s VAL 37 CO -0.00 0.24 -0.15 -0.76 0.00 0.00 0.00 175.10 174.44 3a4l s LEU 38 N 1.70 1.89 0.08 3.92 1.43 0.04 -4.96 118.68 122.78 3a4l s LEU 38 Ca 0.07 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 52.75 3a4l s LEU 38 Cb -0.16 -0.84 0.01 0.00 0.03 0.00 0.00 46.19 45.24 3a4l s LEU 38 CO 0.08 0.13 0.27 -0.83 0.23 0.00 0.00 176.35 176.23 3a4l s GLY 39 N 0.04 -0.06 0.52 -3.19 0.00 -1.26 -0.70 107.32 102.68 3a4l s GLY 39 Ca -0.03 -0.28 0.28 0.00 0.00 0.00 0.00 44.72 44.69 3a4l s GLY 39 CO 0.01 -0.49 2.07 1.48 0.00 0.00 0.00 173.10 176.17 3a4l h SER 40 N 2.85 0.00 0.28 1.64 4.64 -1.93 -2.27 113.55 118.76 3a4l h SER 40 Ca -0.33 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.97 3a4l h SER 40 Cb 1.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3a4l h SER 40 CO 0.51 0.12 -0.07 0.44 -0.87 0.00 0.00 176.83 176.95 3a4l h ASP 41 N 0.00 0.00 -0.37 4.97 3.32 -1.97 -0.18 116.42 122.19 3a4l h ASP 41 Ca -0.00 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.12 3a4l h ASP 41 Cb 0.34 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.81 3a4l h ASP 41 CO 0.01 0.07 -0.12 0.25 -1.72 0.00 0.00 179.24 177.73 3a4l h LEU 42 N 0.00 -0.41 0.15 1.55 5.85 -1.81 -0.47 115.31 120.16 3a4l h LEU 42 Ca -0.00 0.12 -0.25 0.00 0.84 0.00 0.00 57.88 58.59 3a4l h LEU 42 Cb 0.22 0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.53 3a4l h LEU 42 CO 0.01 -0.15 -1.16 0.40 -0.34 0.00 0.00 178.44 177.20 3a4l h ILE 43 N -0.03 1.28 -0.62 4.05 1.08 -1.63 -3.28 117.51 118.36 3a4l h ILE 43 Ca 0.18 -2.51 0.10 0.00 -0.39 0.00 0.00 64.86 62.25 3a4l h ILE 43 Cb 0.31 2.99 -0.08 0.00 -3.07 0.00 0.00 36.82 36.97 3a4l h ILE 43 CO -0.40 0.73 0.21 -0.09 -0.69 0.00 0.00 178.15 177.90 3a4l h ARG 44 N -0.26 0.36 0.00 2.37 2.43 -1.01 -1.35 114.38 116.92 3a4l h ARG 44 Ca -0.22 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 3a4l h ARG 44 Cb 1.77 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.24 3a4l h ARG 44 CO 0.13 0.24 0.00 0.39 -1.51 0.00 0.00 179.97 179.22 3a4l n GLU 45 N -5.04 0.96 0.07 0.20 1.02 -0.19 -2.90 120.64 114.76 3a4l n GLU 45 Ca 0.09 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.36 3a4l n GLU 45 Cb 0.30 -1.48 0.27 0.00 -0.02 0.00 0.00 31.44 30.51 3a4l n GLU 45 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3a4l n SER 46 N -0.98 0.68 -4.85 1.62 7.64 -0.51 -4.78 113.62 112.44 3a4l n SER 46 Ca 0.22 0.25 -0.33 0.00 1.01 0.00 0.00 58.87 60.02 3a4l n SER 46 Cb 0.10 -0.15 -0.06 0.00 -1.01 0.00 0.00 64.21 63.09 3a4l n SER 46 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3a4l s PHE 47 N -3.12 3.43 -0.37 1.43 0.08 -1.14 -4.99 117.98 113.29 3a4l s PHE 47 Ca 0.08 1.15 0.27 0.00 0.12 0.00 0.00 56.93 58.55 3a4l s PHE 47 Cb 0.14 -2.47 0.84 0.00 -0.57 0.00 0.00 43.02 40.95 3a4l s PHE 47 CO 0.67 0.18 1.77 -1.00 -0.10 0.00 0.00 175.22 176.74 3a4l h PRO 48 N 2.54 0.00 -4.23 0.24 0.13 -1.88 -3.46 132.00 125.34 3a4l h PRO 48 Ca -0.48 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.49 3a4l h PRO 48 Cb 1.18 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.18 3a4l h PRO 48 CO 0.66 0.00 -0.44 0.14 -0.23 0.00 0.00 178.00 178.13 3a4l s VAL 49 N -3.33 0.01 -0.13 1.56 -7.23 -1.26 -5.15 120.40 104.87 3a4l s VAL 49 Ca 0.06 -1.76 -0.04 0.00 -1.81 0.00 0.00 61.98 58.43 3a4l s VAL 49 Cb 0.09 -2.32 -0.03 0.00 0.56 0.00 0.00 36.38 34.67 3a4l s VAL 49 CO 0.57 -0.06 0.01 0.86 -0.31 0.00 0.00 175.10 176.17 3a4l s TRP 50 N -4.09 3.16 0.00 2.82 -0.00 -1.26 -5.05 118.94 114.52 3a4l s TRP 50 Ca 0.31 0.03 0.01 0.00 -0.00 0.00 0.00 56.10 56.45 3a4l s TRP 50 Cb 0.04 -1.92 -0.01 0.00 -0.00 0.00 0.00 33.47 31.59 3a4l s TRP 50 CO 0.09 0.24 -0.04 0.15 -0.00 0.00 0.00 176.95 177.40 3a4l s LYS 51 N -0.18 0.32 0.46 5.86 1.02 -1.26 -5.04 119.74 120.91 3a4l s LYS 51 Ca 0.05 -0.22 0.14 0.00 0.02 0.00 0.00 55.97 55.97 3a4l s LYS 51 Cb -0.12 -0.26 1.08 0.00 -0.52 0.00 0.00 37.83 38.01 3a4l s LYS 51 CO 0.02 0.07 2.02 1.49 -0.92 0.00 0.00 175.35 178.03 3a4l h GLU 52 N 5.82 0.31 0.00 1.68 4.22 -1.99 -1.12 114.58 123.50 3a4l h GLU 52 Ca -0.28 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.14 3a4l h GLU 52 Cb 1.20 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3a4l h GLU 52 CO 0.49 0.21 0.00 0.36 -2.18 0.00 0.00 179.01 177.89 3a4l n LYS 53 N -4.47 0.09 0.18 1.92 2.85 -1.26 -1.92 118.16 115.55 3a4l n LYS 53 Ca 0.07 0.34 0.06 0.00 -1.05 0.00 0.00 58.31 57.73 3a4l n LYS 53 Cb 0.31 -1.68 0.21 0.00 -0.65 0.00 0.00 35.03 33.21 3a4l n LYS 53 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 177.40 179.23 3a4l h TYR 54 N 0.00 0.00 -0.62 5.58 0.05 -1.63 -3.39 116.97 116.97 3a4l h TYR 54 Ca 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.72 3a4l h TYR 54 Cb 0.29 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.01 3a4l h TYR 54 CO 0.00 0.35 0.13 0.93 -1.05 0.00 0.00 178.16 178.52 3a4l h GLU 55 N 0.00 0.98 -0.78 4.88 4.39 -1.53 -0.93 114.58 121.58 3a4l h GLU 55 Ca -0.00 -0.23 0.02 0.00 0.34 0.00 0.00 59.36 59.49 3a4l h GLU 55 Cb 1.10 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.57 3a4l h GLU 55 CO 0.04 0.88 0.51 1.49 -1.16 0.00 0.00 179.01 180.78 3a4l h GLU 56 N 0.93 1.00 -0.67 2.33 4.57 -1.79 0.12 114.58 121.07 3a4l h GLU 56 Ca 0.20 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.26 3a4l h GLU 56 Cb 0.36 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 3a4l h GLU 56 CO 0.00 0.66 0.22 0.35 -1.18 0.00 0.00 179.01 179.06 3a4l h PHE 57 N 1.03 1.07 -0.20 0.92 3.57 -1.59 -1.06 116.94 120.67 3a4l h PHE 57 Ca 0.30 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 3a4l h PHE 57 Cb -0.07 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.35 3a4l h PHE 57 CO -0.02 0.86 0.07 0.82 -2.23 0.00 0.00 178.31 177.81 3a4l h ILE 58 N 0.97 1.18 0.36 1.41 2.04 -0.85 0.66 117.51 123.27 3a4l h ILE 58 Ca 0.22 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 3a4l h ILE 58 Cb 0.29 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 3a4l h ILE 58 CO -0.01 0.17 -0.17 0.50 0.00 0.00 0.00 178.15 178.64 3a4l h LYS 59 N 0.17 -0.46 -0.48 2.37 3.64 -0.64 -1.82 116.57 119.35 3a4l h LYS 59 Ca 0.07 0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 3a4l h LYS 59 Cb 0.20 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 3a4l h LYS 59 CO -0.00 -0.30 -0.09 0.87 -2.27 0.00 0.00 179.45 177.65 3a4l h LYS 60 N -0.48 0.87 -0.70 1.90 1.57 -1.14 -1.08 116.57 117.52 3a4l h LYS 60 Ca -0.05 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.40 3a4l h LYS 60 Cb 0.37 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 3a4l h LYS 60 CO 0.08 0.93 0.31 0.77 -0.57 0.00 0.00 179.45 180.97 3a4l h SER 61 N 0.79 0.93 -0.23 0.86 0.02 -0.77 -1.00 113.55 114.16 3a4l h SER 61 Ca 0.13 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 3a4l h SER 61 Cb 0.60 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3a4l h SER 61 CO 0.04 0.83 -0.02 0.74 -1.14 0.00 0.00 176.83 177.28 3a4l h THR 62 N 0.98 1.26 -0.67 -2.27 2.02 -0.99 -0.73 112.91 112.52 3a4l h THR 62 Ca 0.24 -0.94 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 3a4l h THR 62 Cb 0.16 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 3a4l h THR 62 CO -0.03 0.29 0.33 1.88 0.37 0.00 0.00 175.52 178.37 3a4l h TYR 63 N 0.18 0.93 -0.47 3.16 0.05 -1.06 -0.98 116.97 118.77 3a4l h TYR 63 Ca 0.06 -0.03 -0.13 0.00 0.05 0.00 0.00 58.73 58.69 3a4l h TYR 63 Cb 0.44 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 3a4l h TYR 63 CO 0.04 0.67 -0.21 0.00 -1.05 0.00 0.00 178.16 177.61 3a4l h ARG 64 N 0.94 0.95 -0.59 4.88 3.08 -0.96 -0.55 114.38 122.13 3a4l h ARG 64 Ca 0.23 -0.40 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 3a4l h ARG 64 Cb 0.08 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 3a4l h ARG 64 CO -0.03 1.06 0.30 -0.07 -1.07 0.00 0.00 179.97 180.16 3a4l h LEU 65 N 0.82 0.76 -0.33 3.04 3.38 -0.74 -0.83 115.31 121.40 3a4l h LEU 65 Ca 0.11 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3a4l h LEU 65 Cb 0.77 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3a4l h LEU 65 CO 0.06 0.66 0.19 0.40 0.09 0.00 0.00 178.44 179.84 3a4l h ILE 66 N 0.80 1.13 0.08 1.22 2.04 -1.05 0.26 117.51 121.99 3a4l h ILE 66 Ca 0.20 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.75 3a4l h ILE 66 Cb 0.09 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 3a4l h ILE 66 CO -0.03 0.13 -0.14 -0.78 0.00 0.00 0.00 178.15 177.33 3a4l h ASP 67 N 0.42 -0.38 -0.73 1.72 1.82 -1.02 -0.80 116.42 117.46 3a4l h ASP 67 Ca 0.12 0.04 -0.06 0.00 -0.39 0.00 0.00 57.03 56.74 3a4l h ASP 67 Cb 0.04 0.14 -0.03 0.00 0.68 0.00 0.00 39.33 40.16 3a4l h ASP 67 CO -0.02 -0.20 0.21 0.77 -1.61 0.00 0.00 179.24 178.38 3a4l h SER 68 N -0.27 1.08 -0.22 2.28 4.64 -1.03 -2.87 113.55 117.15 3a4l h SER 68 Ca 0.02 -0.21 -0.10 0.00 -0.47 0.00 0.00 61.79 61.02 3a4l h SER 68 Cb 0.29 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3a4l h SER 68 CO -0.07 1.01 -0.21 0.00 -0.87 0.00 0.00 176.83 176.69 3a4l h ALA 69 N 1.12 0.97 0.00 5.18 0.00 -0.75 -3.10 119.26 122.68 3a4l h ALA 69 Ca 0.23 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3a4l h ALA 69 Cb 0.34 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3a4l h ALA 69 CO -0.00 0.60 0.00 -0.11 0.00 0.00 0.00 179.25 179.74 3a4l n LEU 70 N -4.13 0.66 0.26 0.00 7.94 -0.32 -0.42 117.00 120.99 3a4l n LEU 70 Ca 0.00 0.66 0.13 0.00 -1.11 0.00 0.00 56.01 55.69 3a4l n LEU 70 Cb 0.41 -0.57 0.71 0.00 0.53 0.00 0.00 43.42 44.50 3a4l n LEU 70 CO 0.43 -0.55 0.96 0.11 -1.11 0.00 0.00 177.39 177.24 3a4l h LYS 71 N 0.00 0.00 0.00 1.96 1.57 -1.57 -3.36 116.57 115.17 3a4l h LYS 71 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3a4l h LYS 71 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3a4l h LYS 71 CO 0.00 0.12 -0.42 0.09 -0.57 0.00 0.00 179.45 178.66 3a4l n ASN 72 N -3.52 2.12 -4.14 0.86 3.02 -0.27 -5.10 115.26 108.22 3a4l n ASN 72 Ca -0.01 -0.01 -0.15 0.00 -0.03 0.00 0.00 54.58 54.38 3a4l n ASN 72 Cb 0.26 0.44 -0.11 0.00 -0.61 0.00 0.00 39.78 39.76 3a4l n ASN 72 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3a4l s TYR 73 N -0.87 0.98 0.52 3.10 2.02 0.44 -4.96 117.35 118.59 3a4l s TYR 73 Ca 0.00 -0.58 -0.22 0.00 -0.37 0.00 0.00 57.07 55.90 3a4l s TYR 73 Cb 0.00 -0.55 -0.06 0.00 -0.40 0.00 0.00 41.96 40.95 3a4l s TYR 73 CO 0.00 -0.02 1.29 0.91 -1.57 0.00 0.00 175.55 176.16 3a4l n TRP 74 N 0.95 2.07 -4.68 2.71 7.02 -0.17 -4.21 117.44 121.14 3a4l n TRP 74 Ca -0.19 0.45 -0.25 0.00 -1.02 0.00 0.00 57.50 56.48 3a4l n TRP 74 Cb 0.56 -2.34 -0.17 0.00 -2.42 0.00 0.00 31.31 26.95 3a4l n TRP 74 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 3a4l s VAL 75 N -1.30 1.26 -0.28 -0.99 1.01 -1.02 -1.41 120.40 117.67 3a4l s VAL 75 Ca 0.70 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 62.02 3a4l s VAL 75 Cb -0.44 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 3a4l s VAL 75 CO 0.51 0.38 0.15 -0.63 0.00 0.00 0.00 175.10 175.51 3a4l s ILE 76 N 0.57 4.84 -0.50 2.22 1.01 -0.27 -0.70 121.20 128.37 3a4l s ILE 76 Ca -0.14 -0.11 -0.21 0.00 0.00 0.00 0.00 60.65 60.18 3a4l s ILE 76 Cb -0.16 -3.35 0.04 0.00 0.01 0.00 0.00 42.46 39.00 3a4l s ILE 76 CO 0.04 0.21 0.75 -0.69 0.00 0.00 0.00 174.94 175.24 3a4l s VAL 77 N 1.68 4.68 -1.07 2.92 1.01 0.11 -0.78 120.40 128.95 3a4l s VAL 77 Ca 0.06 -0.05 -0.13 0.00 0.00 0.00 0.00 61.98 61.86 3a4l s VAL 77 Cb -0.16 -4.36 0.21 0.00 0.00 0.00 0.00 36.38 32.06 3a4l s VAL 77 CO 0.08 -0.86 1.18 -0.62 0.00 0.00 0.00 175.10 174.87 3a4l s ASP 78 N 2.57 7.03 0.08 3.32 2.15 0.12 -1.81 116.67 130.13 3a4l s ASP 78 Ca 0.23 -2.98 -0.15 0.00 0.43 0.00 0.00 52.55 50.08 3a4l s ASP 78 Cb -0.15 -2.31 0.03 0.00 -0.30 0.00 0.00 42.92 40.18 3a4l s ASP 78 CO 0.16 -0.62 0.35 -1.81 -0.17 0.00 0.00 175.17 173.08 3a4l s ASP 79 N 2.38 -0.17 0.21 -0.34 1.01 -1.26 -4.22 116.67 114.28 3a4l s ASP 79 Ca 0.33 -0.25 -0.10 0.00 0.71 0.00 0.00 52.55 53.25 3a4l s ASP 79 Cb -0.07 0.41 0.22 0.00 1.01 0.00 0.00 42.92 44.49 3a4l s ASP 79 CO -0.06 -0.72 1.83 0.74 0.21 0.00 0.00 175.17 177.17 3a4l h THR 80 N 2.82 1.04 -6.12 -1.27 2.02 -1.85 -3.37 112.91 106.17 3a4l h THR 80 Ca -0.33 -0.27 -0.42 0.00 0.77 0.00 0.00 66.41 66.16 3a4l h THR 80 Cb 1.22 0.19 0.05 0.00 -1.74 0.00 0.00 68.15 67.87 3a4l h THR 80 CO 0.47 0.14 -0.85 0.59 0.37 0.00 0.00 175.52 176.25 3a4l n ASN 81 N -4.72 -1.62 0.14 4.18 5.03 -1.26 -2.28 115.26 114.72 3a4l n ASN 81 Ca 0.08 -0.85 0.02 0.00 0.87 0.00 0.00 54.58 54.70 3a4l n ASN 81 Cb 0.13 -3.94 0.36 0.00 -1.02 0.00 0.00 39.78 35.31 3a4l n ASN 81 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 3a4l h TYR 82 N -1.83 0.18 -2.95 3.10 3.20 -1.91 -3.44 116.97 113.32 3a4l h TYR 82 Ca -0.62 -0.03 -0.66 0.00 3.14 0.00 0.00 58.73 60.56 3a4l h TYR 82 Cb 1.36 -0.05 -0.09 0.00 1.54 0.00 0.00 36.73 39.49 3a4l h TYR 82 CO 0.45 0.40 -0.54 0.71 -1.64 0.00 0.00 178.16 177.54 3a4l s TYR 83 N -4.49 3.40 0.39 -3.82 1.51 -1.26 -4.69 117.35 108.39 3a4l s TYR 83 Ca -0.05 0.34 0.23 0.00 -1.01 0.00 0.00 57.07 56.59 3a4l s TYR 83 Cb 0.15 -1.83 1.25 0.00 -0.11 0.00 0.00 41.96 41.41 3a4l s TYR 83 CO 0.74 0.61 2.01 -2.95 -1.11 0.00 0.00 175.55 174.85 3a4l h ASN 84 N 4.61 0.00 -0.69 2.29 7.08 -1.92 -1.99 115.58 124.95 3a4l h ASN 84 Ca -0.52 0.00 0.08 0.00 -3.08 0.00 0.00 56.30 52.78 3a4l h ASN 84 Cb 1.20 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 37.40 3a4l h ASN 84 CO 0.60 0.17 0.46 0.77 -2.08 0.00 0.00 177.43 177.34 3a4l h SER 85 N 0.00 0.57 -0.36 6.14 4.64 -1.96 -0.07 113.55 122.51 3a4l h SER 85 Ca -0.00 0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 3a4l h SER 85 Cb 0.41 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 3a4l h SER 85 CO 0.02 0.36 -0.14 0.24 -0.87 0.00 0.00 176.83 176.44 3a4l h MET 86 N 0.64 0.73 -0.21 4.77 2.86 -1.73 -1.78 114.93 120.21 3a4l h MET 86 Ca 0.31 -0.31 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 3a4l h MET 86 Cb 0.37 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3a4l h MET 86 CO -0.10 0.91 -0.25 0.00 1.06 0.00 0.00 176.91 178.53 3a4l h ARG 87 N 0.52 0.40 -0.08 1.72 3.08 -1.35 -2.03 114.38 116.64 3a4l h ARG 87 Ca 0.08 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 3a4l h ARG 87 Cb 0.68 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 3a4l h ARG 87 CO 0.05 0.63 0.05 -0.09 -1.07 0.00 0.00 179.97 179.54 3a4l h ARG 88 N 0.36 0.11 -0.81 0.04 2.43 -0.90 -1.09 114.38 114.51 3a4l h ARG 88 Ca 0.05 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 3a4l h ARG 88 Cb 0.64 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.11 3a4l h ARG 88 CO 0.05 0.11 0.51 -0.44 -1.51 0.00 0.00 179.97 178.68 3a4l h ASP 89 N 0.08 0.81 -0.26 -3.80 3.32 -0.99 -0.13 116.42 115.45 3a4l h ASP 89 Ca 0.03 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 3a4l h ASP 89 Cb 0.02 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3a4l h ASP 89 CO -0.01 0.54 -0.12 -0.07 -1.72 0.00 0.00 179.24 177.86 3a4l h LEU 90 N 0.95 0.55 -1.08 1.55 3.38 -1.24 -2.97 115.31 116.46 3a4l h LEU 90 Ca 0.34 -0.41 0.07 0.00 0.09 0.00 0.00 57.88 57.98 3a4l h LEU 90 Cb 0.11 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 3a4l h LEU 90 CO -0.15 0.84 0.62 0.40 0.09 0.00 0.00 178.44 180.24 3a4l h ILE 91 N 0.27 1.06 0.00 1.22 2.04 -0.69 -0.52 117.51 120.89 3a4l h ILE 91 Ca 0.06 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 3a4l h ILE 91 Cb 0.63 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3a4l h ILE 91 CO 0.04 0.20 -0.05 0.78 0.00 0.00 0.00 178.15 179.12 3a4l h ASN 92 N 1.09 0.00 -0.08 1.72 2.35 -0.88 -0.02 115.58 119.75 3a4l h ASN 92 Ca 0.42 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.12 3a4l h ASN 92 Cb 0.21 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 3a4l h ASN 92 CO -0.17 0.05 -0.13 0.40 -1.65 0.00 0.00 177.43 175.94 3a4l h ILE 93 N 0.00 1.40 -0.77 2.81 2.04 -0.97 -1.30 117.51 120.72 3a4l h ILE 93 Ca -0.00 -1.39 0.11 0.00 1.00 0.00 0.00 64.86 64.58 3a4l h ILE 93 Cb 0.15 2.14 -0.08 0.00 -0.74 0.00 0.00 36.82 38.29 3a4l h ILE 93 CO 0.01 0.39 0.40 0.00 0.00 0.00 0.00 178.15 178.94 3a4l h ALA 94 N 0.51 1.10 -0.49 1.87 0.00 -1.11 -2.56 119.26 118.58 3a4l h ALA 94 Ca 0.01 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3a4l h ALA 94 Cb 0.69 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3a4l h ALA 94 CO 0.03 -0.03 -0.06 -0.22 0.00 0.00 0.00 179.25 178.97 3a4l h LYS 95 N 0.64 0.87 -0.45 0.00 3.64 -0.95 0.13 116.57 120.44 3a4l h LYS 95 Ca 0.39 -0.28 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 3a4l h LYS 95 Cb 0.45 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 3a4l h LYS 95 CO -0.29 0.90 0.30 -0.22 -2.27 0.00 0.00 179.45 177.87 3a4l h LYS 96 N 0.79 0.49 -0.41 1.90 3.64 -0.81 -1.84 116.57 120.33 3a4l h LYS 96 Ca 0.14 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3a4l h LYS 96 Cb 0.56 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3a4l h LYS 96 CO 0.03 0.33 0.00 0.66 -2.27 0.00 0.00 179.45 178.20 3a4l n TYR 97 N -4.48 0.94 -3.92 1.91 4.01 -0.95 -4.99 117.16 109.70 3a4l n TYR 97 Ca 0.05 -0.66 -0.27 0.00 -0.16 0.00 0.00 57.90 56.86 3a4l n TYR 97 Cb 0.14 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 38.98 3a4l n TYR 97 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3a4l n ASN 98 N 0.37 -1.91 -4.71 7.72 4.05 -0.03 -4.97 115.26 115.79 3a4l n ASN 98 Ca 0.19 -0.91 -0.32 0.00 0.45 0.00 0.00 54.58 53.99 3a4l n ASN 98 Cb 0.73 -3.46 -0.08 0.00 1.23 0.00 0.00 39.78 38.20 3a4l n ASN 98 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 3a4l s LYS 99 N -6.47 2.81 0.87 1.20 -0.14 0.23 -4.84 119.74 113.42 3a4l s LYS 99 Ca 0.25 -0.62 -0.11 0.00 -1.36 0.00 0.00 55.97 54.13 3a4l s LYS 99 Cb -0.13 -2.69 0.12 0.00 -1.68 0.00 0.00 37.83 33.45 3a4l s LYS 99 CO 0.86 0.62 1.17 -0.80 -0.76 0.00 0.00 175.35 176.44 3a4l s ASN 100 N -1.72 3.17 0.07 2.83 0.01 -1.26 -4.47 114.94 113.58 3a4l s ASN 100 Ca 0.21 2.26 -0.06 0.00 -0.71 0.00 0.00 52.86 54.57 3a4l s ASN 100 Cb -0.12 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 38.95 3a4l s ASN 100 CO 0.12 -2.94 0.11 -0.72 -1.51 0.00 0.00 177.10 172.16 3a4l s TYR 101 N -2.45 0.27 -0.06 2.20 1.13 -1.26 -1.63 117.35 115.55 3a4l s TYR 101 Ca 0.69 -0.71 -0.02 0.00 -1.41 0.00 0.00 57.07 55.62 3a4l s TYR 101 Cb -0.25 -0.17 0.04 0.00 -1.10 0.00 0.00 41.96 40.47 3a4l s TYR 101 CO 0.55 -0.46 0.11 0.00 -2.51 0.00 0.00 175.55 173.24 3a4l s ALA 102 N -3.66 -0.04 -0.05 9.51 0.00 0.20 -4.95 121.76 122.77 3a4l s ALA 102 Ca 0.04 0.45 -0.23 0.00 0.00 0.00 0.00 51.96 52.21 3a4l s ALA 102 Cb 0.05 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 3a4l s ALA 102 CO -0.10 -0.39 0.69 0.42 0.00 0.00 0.00 175.76 176.38 3a4l s ILE 103 N 1.85 5.02 -0.25 0.00 1.01 -1.26 -0.63 121.20 126.94 3a4l s ILE 103 Ca -0.01 1.42 -0.00 0.00 0.00 0.00 0.00 60.65 62.06 3a4l s ILE 103 Cb -0.12 -4.03 0.04 0.00 0.01 0.00 0.00 42.46 38.36 3a4l s ILE 103 CO -0.05 0.28 -0.08 -0.63 0.00 0.00 0.00 174.94 174.46 3a4l s ILE 104 N 0.64 2.61 -0.33 2.92 1.01 0.14 -0.01 121.20 128.18 3a4l s ILE 104 Ca 0.36 -1.20 -0.17 0.00 0.00 0.00 0.00 60.65 59.65 3a4l s ILE 104 Cb -0.18 -2.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.92 3a4l s ILE 104 CO 0.18 0.16 0.45 -0.47 0.00 0.00 0.00 174.94 175.26 3a4l s TYR 105 N 1.26 3.21 -0.17 3.97 5.04 -0.09 -1.66 117.35 128.90 3a4l s TYR 105 Ca -0.02 0.20 -0.13 0.00 -2.44 0.00 0.00 57.07 54.68 3a4l s TYR 105 Cb -0.17 -2.79 -0.05 0.00 0.35 0.00 0.00 41.96 39.31 3a4l s TYR 105 CO -0.05 -0.44 0.28 -0.51 -1.34 0.00 0.00 175.55 173.48 3a4l s LEU 106 N 2.24 4.23 0.18 6.97 1.43 0.40 -0.39 118.68 133.74 3a4l s LEU 106 Ca 0.16 0.46 0.08 0.00 -1.03 0.00 0.00 54.13 53.81 3a4l s LEU 106 Cb -0.16 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 3a4l s LEU 106 CO 0.12 0.09 -0.16 -0.54 0.23 0.00 0.00 176.35 176.09 3a4l s LYS 107 N 0.54 1.28 0.03 1.70 1.02 0.13 -4.42 119.74 120.03 3a4l s LYS 107 Ca 0.15 -1.49 -0.27 0.00 0.02 0.00 0.00 55.97 54.38 3a4l s LYS 107 Cb -0.13 -1.18 0.09 0.00 -0.52 0.00 0.00 37.83 36.09 3a4l s LYS 107 CO 0.03 0.22 0.79 0.00 -0.92 0.00 0.00 175.35 175.48 3a4l s ALA 108 N -2.54 -1.76 0.57 5.17 0.00 -1.26 -1.10 121.76 120.84 3a4l s ALA 108 Ca 0.19 0.90 -0.19 0.00 0.00 0.00 0.00 51.96 52.86 3a4l s ALA 108 Cb -0.03 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 3a4l s ALA 108 CO 0.06 -0.67 1.17 -1.54 0.00 0.00 0.00 175.76 174.78 3a4l s SER 109 N -2.41 5.42 0.24 0.00 1.04 -1.26 -4.83 113.70 111.91 3a4l s SER 109 Ca 0.02 2.28 -0.05 0.00 0.48 0.00 0.00 55.95 58.68 3a4l s SER 109 Cb -0.01 -2.59 0.43 0.00 0.10 0.00 0.00 66.02 63.95 3a4l s SER 109 CO -0.09 -1.43 1.72 0.25 0.98 0.00 0.00 173.24 174.68 3a4l h LEU 110 N 1.00 0.19 -0.85 2.42 7.12 -2.01 -0.81 115.31 122.37 3a4l h LEU 110 Ca -0.50 0.11 0.12 0.00 0.13 0.00 0.00 57.88 57.74 3a4l h LEU 110 Cb 1.28 0.11 -0.14 0.00 -0.53 0.00 0.00 40.66 41.39 3a4l h LEU 110 CO 0.56 0.07 -0.43 0.44 -0.13 0.00 0.00 178.44 178.95 3a4l h ASP 111 N 0.38 -1.55 -0.34 1.25 3.32 -2.00 -1.04 116.42 116.43 3a4l h ASP 111 Ca 0.39 0.29 -0.14 0.00 0.02 0.00 0.00 57.03 57.59 3a4l h ASP 111 Cb 0.61 0.76 -0.01 0.00 0.22 0.00 0.00 39.33 40.91 3a4l h ASP 111 CO -0.42 -0.29 -0.33 0.58 -1.72 0.00 0.00 179.24 177.06 3a4l h VAL 112 N -0.07 1.28 -0.52 -1.35 2.07 -1.56 -2.21 116.25 113.89 3a4l h VAL 112 Ca 0.26 -1.50 0.10 0.00 0.82 0.00 0.00 66.70 66.37 3a4l h VAL 112 Cb 0.55 1.47 -0.08 0.00 -1.52 0.00 0.00 31.29 31.71 3a4l h VAL 112 CO -0.87 0.49 0.07 -0.07 0.02 0.00 0.00 177.57 177.21 3a4l h LEU 113 N 0.62 -0.08 -0.20 2.57 3.38 -0.57 -1.05 115.31 119.97 3a4l h LEU 113 Ca 0.06 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3a4l h LEU 113 Cb 0.92 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3a4l h LEU 113 CO 0.08 -0.02 -0.01 0.40 0.09 0.00 0.00 178.44 178.99 3a4l h ILE 114 N 0.19 1.26 -0.67 1.22 1.08 -1.08 -0.09 117.51 119.42 3a4l h ILE 114 Ca 0.27 -0.89 0.05 0.00 -0.39 0.00 0.00 64.86 63.90 3a4l h ILE 114 Cb 0.39 1.44 -0.05 0.00 -3.07 0.00 0.00 36.82 35.53 3a4l h ILE 114 CO -0.38 0.27 0.38 0.03 -0.69 0.00 0.00 178.15 177.76 3a4l h ARG 115 N 0.12 0.69 -0.04 2.37 3.08 -1.16 0.28 114.38 119.72 3a4l h ARG 115 Ca 0.06 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3a4l h ARG 115 Cb 0.41 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 3a4l h ARG 115 CO 0.01 0.46 0.02 0.00 -1.07 0.00 0.00 179.97 179.39 3a4l h ARG 116 N 0.71 0.06 0.10 0.04 3.08 -1.07 0.14 114.38 117.44 3a4l h ARG 116 Ca 0.30 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.35 3a4l h ARG 116 Cb 0.16 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.15 3a4l h ARG 116 CO -0.17 0.13 -0.52 -0.97 -1.07 0.00 0.00 179.97 177.37 3a4l h ASN 117 N -0.03 -1.58 -0.96 7.04 -1.24 -0.27 -0.90 115.58 117.63 3a4l h ASN 117 Ca 0.01 0.17 0.23 0.00 0.71 0.00 0.00 56.30 57.43 3a4l h ASN 117 Cb 0.09 0.59 -0.12 0.00 0.73 0.00 0.00 38.32 39.60 3a4l h ASN 117 CO -0.00 -0.54 0.52 0.40 -1.29 0.00 0.00 177.43 176.52 3a4l h ILE 118 N -0.73 0.52 0.00 2.57 2.04 -0.37 0.34 117.51 121.88 3a4l h ILE 118 Ca -0.00 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3a4l h ILE 118 Cb 0.74 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3a4l h ILE 118 CO -0.29 0.10 0.00 1.21 0.00 0.00 0.00 178.15 179.16 3a4l n GLU 119 N -4.94 0.28 -0.04 2.37 2.13 0.48 -1.32 120.64 119.61 3a4l n GLU 119 Ca 0.25 0.08 0.02 0.00 0.66 0.00 0.00 57.16 58.17 3a4l n GLU 119 Cb 0.71 -1.50 0.03 0.00 0.27 0.00 0.00 31.44 30.95 3a4l n GLU 119 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3a4l n ARG 120 N -1.12 2.06 -0.34 5.31 1.74 0.11 -4.98 116.66 119.44 3a4l n ARG 120 Ca 0.07 -1.57 0.00 0.00 -0.77 0.00 0.00 57.85 55.58 3a4l n ARG 120 Cb 0.06 -1.01 0.00 0.00 -1.02 0.00 0.00 32.46 30.49 3a4l n ARG 120 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3a4l n GLY 121 N -0.61 0.82 3.61 -0.13 0.00 -0.43 -4.23 105.19 104.22 3a4l n GLY 121 Ca 0.03 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 3a4l n GLY 121 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3a4l n GLU 122 N -2.34 -6.12 -0.11 1.61 2.13 -0.92 -4.87 120.64 110.02 3a4l n GLU 122 Ca 0.00 0.73 0.18 0.00 0.66 0.00 0.00 57.16 58.73 3a4l n GLU 122 Cb 0.00 -5.58 0.58 0.00 0.27 0.00 0.00 31.44 26.71 3a4l n GLU 122 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 3a4l h LYS 123 N -2.05 0.24 -6.22 5.31 1.57 -1.79 -3.36 116.57 110.28 3a4l h LYS 123 Ca -0.59 -0.01 -0.69 0.00 -1.87 0.00 0.00 60.65 57.49 3a4l h LYS 123 Cb 1.36 -0.05 -0.23 0.00 0.08 0.00 0.00 32.23 33.38 3a4l h LYS 123 CO 0.55 0.16 -0.77 0.42 -0.57 0.00 0.00 179.45 179.25 3a4l s ILE 124 N -5.25 3.09 0.25 1.86 1.01 -1.26 -5.02 121.20 115.88 3a4l s ILE 124 Ca -0.07 -0.71 -0.31 0.00 0.00 0.00 0.00 60.65 59.57 3a4l s ILE 124 Cb 0.21 -2.22 -0.13 0.00 0.01 0.00 0.00 42.46 40.33 3a4l s ILE 124 CO 0.76 0.59 1.42 -2.65 0.00 0.00 0.00 174.94 175.05 3a4l n PRO 125 N 2.42 2.11 -0.30 2.79 -0.02 -1.26 -4.86 135.00 135.89 3a4l n PRO 125 Ca -0.17 0.75 0.05 0.00 -2.02 0.00 0.00 63.50 62.11 3a4l n PRO 125 Cb 0.52 -2.42 0.26 0.00 -0.02 0.00 0.00 33.50 31.85 3a4l n PRO 125 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3a4l h ASN 126 N 4.20 0.87 -0.54 2.55 2.35 -1.98 -1.42 115.58 121.61 3a4l h ASN 126 Ca -0.45 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 3a4l h ASN 126 Cb 1.27 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.44 3a4l h ASN 126 CO 0.75 0.54 0.34 -0.33 -1.65 0.00 0.00 177.43 177.09 3a4l h GLU 127 N 0.98 0.73 -0.24 0.81 3.07 -2.00 -1.24 114.58 116.69 3a4l h GLU 127 Ca 0.40 -0.05 -0.20 0.00 -0.50 0.00 0.00 59.36 59.01 3a4l h GLU 127 Cb 0.28 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 3a4l h GLU 127 CO -0.16 0.50 -0.63 0.28 -1.40 0.00 0.00 179.01 177.60 3a4l h VAL 128 N 0.75 1.28 -0.56 3.13 2.07 -1.64 -2.49 116.25 118.78 3a4l h VAL 128 Ca 0.20 -1.82 0.03 0.00 0.82 0.00 0.00 66.70 65.94 3a4l h VAL 128 Cb -0.05 1.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 3a4l h VAL 128 CO -0.04 0.59 0.33 0.40 0.02 0.00 0.00 177.57 178.86 3a4l h ILE 129 N 0.61 1.03 -0.53 4.57 1.08 -0.97 -0.43 117.51 122.87 3a4l h ILE 129 Ca -0.01 -0.22 0.07 0.00 -0.39 0.00 0.00 64.86 64.31 3a4l h ILE 129 Cb 1.25 0.34 -0.06 0.00 -3.07 0.00 0.00 36.82 35.27 3a4l h ILE 129 CO 0.14 0.12 0.19 0.11 -0.69 0.00 0.00 178.15 178.02 3a4l h LYS 130 N 0.64 0.36 -0.22 2.37 1.57 -1.15 0.10 116.57 120.25 3a4l h LYS 130 Ca 0.23 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.89 3a4l h LYS 130 Cb 0.06 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3a4l h LYS 130 CO -0.12 0.24 -0.32 -0.22 -0.57 0.00 0.00 179.45 178.46 3a4l h LYS 131 N 0.37 0.44 -0.51 3.15 1.63 -1.03 -1.73 116.57 118.90 3a4l h LYS 131 Ca 0.26 -0.19 -0.13 0.00 -0.85 0.00 0.00 60.65 59.74 3a4l h LYS 131 Cb 0.28 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.88 3a4l h LYS 131 CO -0.26 0.71 -0.18 0.52 -3.45 0.00 0.00 179.45 176.79 3a4l h MET 132 N 0.38 1.02 -0.49 1.90 2.86 -0.27 -2.21 114.93 118.12 3a4l h MET 132 Ca 0.05 -0.42 0.03 0.00 -2.06 0.00 0.00 59.70 57.30 3a4l h MET 132 Cb 0.75 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.33 3a4l h MET 132 CO 0.06 1.10 0.28 -0.92 1.06 0.00 0.00 176.91 178.49 3a4l h TYR 133 N 0.89 0.53 -0.35 -0.22 3.20 -0.37 -0.22 116.97 120.43 3a4l h TYR 133 Ca 0.12 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 3a4l h TYR 133 Cb 0.76 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 3a4l h TYR 133 CO 0.05 0.29 0.17 0.93 -1.64 0.00 0.00 178.16 177.96 3a4l h GLU 134 N 0.56 0.51 -0.00 1.82 5.08 -1.20 -3.23 114.58 118.11 3a4l h GLU 134 Ca 0.20 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3a4l h GLU 134 Cb 0.04 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3a4l h GLU 134 CO -0.10 0.46 -0.30 1.63 -1.00 0.00 0.00 179.01 179.70 3a4l n LYS 135 N -4.73 0.36 -1.76 2.33 4.76 -0.84 -4.90 118.16 113.37 3a4l n LYS 135 Ca -0.01 -0.18 -0.42 0.00 -2.87 0.00 0.00 58.31 54.84 3a4l n LYS 135 Cb 0.11 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.77 3a4l n LYS 135 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 3a4l s PHE 136 N -2.77 2.58 -0.33 2.13 5.99 -0.12 -4.98 117.98 120.49 3a4l s PHE 136 Ca 0.18 0.23 -0.16 0.00 0.00 0.00 0.00 56.93 57.18 3a4l s PHE 136 Cb 0.19 -4.12 -0.02 0.00 0.00 0.00 0.00 43.02 39.07 3a4l s PHE 136 CO 0.59 -4.40 0.39 -0.51 -0.00 0.00 0.00 175.22 171.29 3a4l s ASP 137 N 1.89 6.22 0.54 6.13 1.01 -1.26 -5.06 116.67 126.15 3a4l s ASP 137 Ca 0.77 -0.09 -0.21 0.00 0.71 0.00 0.00 52.55 53.73 3a4l s ASP 137 Cb -0.47 -2.21 -0.05 0.00 1.01 0.00 0.00 42.92 41.20 3a4l s ASP 137 CO 0.34 -0.34 1.26 -1.61 0.21 0.00 0.00 175.17 175.03 3a4l s GLU 138 N 2.11 3.21 0.37 8.23 2.02 -1.26 -4.92 118.70 128.46 3a4l s GLU 138 Ca 0.14 2.00 -0.26 0.00 0.02 0.00 0.00 54.97 56.86 3a4l s GLU 138 Cb -0.16 -2.18 -0.12 0.00 0.10 0.00 0.00 34.13 31.77 3a4l s GLU 138 CO 0.12 -1.06 1.15 -2.30 0.02 0.00 0.00 175.26 173.19 3a4l n PRO 139 N -1.10 1.72 -0.68 0.39 -0.02 -1.26 -2.75 135.00 131.29 3a4l n PRO 139 Ca 0.11 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3a4l n PRO 139 Cb 0.47 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3a4l n PRO 139 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a4l n GLY 140 N 0.98 0.81 0.31 -1.23 0.00 -0.84 -4.61 105.19 100.61 3a4l n GLY 140 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 3a4l n GLY 140 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3a4l h LYS 141 N 3.31 0.00 0.00 1.61 3.64 -1.84 -3.38 116.57 119.91 3a4l h LYS 141 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3a4l h LYS 141 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3a4l h LYS 141 CO 0.00 0.00 -0.67 1.17 -2.27 0.00 0.00 179.45 177.68 3a4l n LYS 142 N -4.39 0.00 -4.33 1.90 4.81 -1.26 -5.08 118.16 109.82 3a4l n LYS 142 Ca 0.01 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.13 3a4l n LYS 142 Cb 0.27 -0.36 -0.09 0.00 0.02 0.00 0.00 35.03 34.87 3a4l n LYS 142 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3a4l s TYR 143 N -2.00 3.02 0.24 5.64 1.51 -1.26 -5.02 117.35 119.49 3a4l s TYR 143 Ca 0.00 0.05 0.00 0.00 -1.01 0.00 0.00 57.07 56.11 3a4l s TYR 143 Cb 0.00 -1.65 0.28 0.00 -0.11 0.00 0.00 41.96 40.48 3a4l s TYR 143 CO 0.00 0.44 1.63 1.57 -1.11 0.00 0.00 175.55 178.08 3a4l h LYS 144 N 4.39 0.50 0.00 -0.62 5.09 -1.98 -2.35 116.57 121.60 3a4l h LYS 144 Ca -0.49 -0.24 0.00 0.00 0.09 0.00 0.00 60.65 60.01 3a4l h LYS 144 Cb 1.17 -0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.50 3a4l h LYS 144 CO 0.56 0.80 0.00 0.11 -2.09 0.00 0.00 179.45 178.83 3a4l h TRP 145 N 0.42 0.00 -0.03 0.07 5.08 -1.98 -2.28 115.95 117.22 3a4l h TRP 145 Ca 0.04 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.01 3a4l h TRP 145 Cb 0.85 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.01 3a4l h TRP 145 CO 0.03 0.00 0.00 -3.47 -1.28 0.00 0.00 178.44 173.72 3a4l n ASP 146 N -2.75 2.27 -4.72 0.11 2.03 -0.88 -4.95 116.55 107.66 3a4l n ASP 146 Ca -0.02 -1.76 -0.42 0.00 0.52 0.00 0.00 54.79 53.11 3a4l n ASP 146 Cb 0.07 -0.01 -0.03 0.00 -0.72 0.00 0.00 41.12 40.43 3a4l n ASP 146 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3a4l s GLU 147 N -1.98 4.41 0.24 -0.67 2.02 -0.86 -1.99 118.70 119.86 3a4l s GLU 147 Ca 0.33 1.87 -0.31 0.00 0.02 0.00 0.00 54.97 56.88 3a4l s GLU 147 Cb 0.20 -3.30 -0.12 0.00 0.10 0.00 0.00 34.13 31.01 3a4l s GLU 147 CO 0.32 -0.29 1.64 -2.30 0.02 0.00 0.00 175.26 174.64 3a4l n PRO 148 N 3.75 2.62 -0.14 0.39 -0.02 -1.26 -4.66 135.00 135.67 3a4l n PRO 148 Ca 0.09 0.94 -0.10 0.00 -2.02 0.00 0.00 63.50 62.41 3a4l n PRO 148 Cb 0.45 -2.74 -0.01 0.00 -0.02 0.00 0.00 33.50 31.18 3a4l n PRO 148 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3a4l h PHE 149 N 5.76 0.77 -3.99 6.00 3.04 -0.78 -3.45 116.94 124.29 3a4l h PHE 149 Ca -0.45 -0.13 -0.37 0.00 3.98 0.00 0.00 57.97 61.01 3a4l h PHE 149 Cb 1.22 -0.20 -0.26 0.00 2.56 0.00 0.00 35.95 39.27 3a4l h PHE 149 CO 0.61 0.77 -0.77 -0.51 -2.02 0.00 0.00 178.31 176.40 3a4l s LEU 150 N -9.45 2.11 -0.20 0.59 1.43 -1.13 -5.05 118.68 106.98 3a4l s LEU 150 Ca -0.13 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.64 3a4l s LEU 150 Cb 0.10 -0.39 0.01 0.00 0.03 0.00 0.00 46.19 45.93 3a4l s LEU 150 CO 0.79 0.01 -0.11 -0.63 0.23 0.00 0.00 176.35 176.64 3a4l s ILE 151 N -0.64 2.75 -0.19 -0.59 1.01 -1.26 -0.91 121.20 121.37 3a4l s ILE 151 Ca -0.00 -0.73 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 3a4l s ILE 151 Cb -0.06 -2.23 -0.02 0.00 0.01 0.00 0.00 42.46 40.17 3a4l s ILE 151 CO 0.00 0.46 -0.04 -0.63 0.00 0.00 0.00 174.94 174.74 3a4l s ILE 152 N 1.38 3.65 -0.57 2.92 -1.09 0.47 -4.97 121.20 123.00 3a4l s ILE 152 Ca 0.05 -0.42 -0.25 0.00 -2.23 0.00 0.00 60.65 57.80 3a4l s ILE 152 Cb -0.14 -2.63 0.04 0.00 -1.58 0.00 0.00 42.46 38.15 3a4l s ILE 152 CO -0.08 0.45 1.02 -0.62 -1.23 0.00 0.00 174.94 174.49 3a4l s ASP 153 N 0.93 6.36 0.00 3.58 -1.08 -1.26 -0.69 116.67 124.51 3a4l s ASP 153 Ca -0.00 -0.25 0.26 0.00 -0.52 0.00 0.00 52.55 52.04 3a4l s ASP 153 Cb -0.15 -2.47 1.55 0.00 -1.46 0.00 0.00 42.92 40.40 3a4l s ASP 153 CO 0.01 -1.32 1.97 0.35 0.52 0.00 0.00 175.17 176.70 3a4l n THR 154 N 6.33 0.00 1.16 1.71 -2.24 -0.26 -2.31 114.28 118.67 3a4l n THR 154 Ca 0.03 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.96 3a4l n THR 154 Cb 0.48 -0.46 0.67 0.00 -2.10 0.00 0.00 70.33 68.92 3a4l n THR 154 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3a4l n THR 155 N -0.93 0.00 -4.39 4.28 -1.04 -1.26 -4.87 114.28 106.07 3a4l n THR 155 Ca 0.20 -0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 62.01 3a4l n THR 155 Cb 0.09 -0.50 -0.10 0.00 -1.82 0.00 0.00 70.33 68.00 3a4l n THR 155 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3a4l s LYS 156 N -2.84 1.46 0.56 -2.82 1.02 -0.98 -5.12 119.74 111.03 3a4l s LYS 156 Ca 0.20 -1.71 -0.21 0.00 0.02 0.00 0.00 55.97 54.26 3a4l s LYS 156 Cb 0.19 -1.07 -0.04 0.00 -0.52 0.00 0.00 37.83 36.39 3a4l s LYS 156 CO 0.50 0.06 1.35 -0.51 -0.92 0.00 0.00 175.35 175.83 3a4l s ASP 157 N -3.39 5.15 -0.12 2.83 1.11 -1.26 -4.93 116.67 116.06 3a4l s ASP 157 Ca 0.27 2.74 0.02 0.00 0.18 0.00 0.00 52.55 55.76 3a4l s ASP 157 Cb 0.03 -2.63 -0.00 0.00 1.07 0.00 0.00 42.92 41.38 3a4l s ASP 157 CO 0.10 -1.65 -0.19 -0.63 1.18 0.00 0.00 175.17 173.98 3a4l s ILE 158 N -1.32 2.44 -0.90 0.77 1.01 -1.26 -5.03 121.20 116.91 3a4l s ILE 158 Ca 0.73 -0.87 -0.19 0.00 0.00 0.00 0.00 60.65 60.32 3a4l s ILE 158 Cb -0.40 -1.99 0.12 0.00 0.01 0.00 0.00 42.46 40.21 3a4l s ILE 158 CO 0.46 0.54 1.12 -0.62 0.00 0.00 0.00 174.94 176.44 3a4l s ASP 159 N 0.50 6.57 0.43 3.58 -1.08 -1.26 -4.88 116.67 120.54 3a4l s ASP 159 Ca -0.13 -1.91 0.21 0.00 -0.52 0.00 0.00 52.55 50.21 3a4l s ASP 159 Cb -0.17 -2.41 0.97 0.00 -1.46 0.00 0.00 42.92 39.86 3a4l s ASP 159 CO 0.05 -1.12 1.87 -0.26 0.52 0.00 0.00 175.17 176.23 3a4l h PHE 160 N 8.95 0.00 -0.49 -5.34 0.04 -1.98 -1.94 116.94 116.18 3a4l h PHE 160 Ca 0.11 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.76 3a4l h PHE 160 Cb 1.03 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.16 3a4l h PHE 160 CO 1.15 0.27 -0.15 -0.91 -0.60 0.00 0.00 178.31 178.06 3a4l h ASN 161 N 0.00 0.95 -0.26 2.17 -0.26 -1.99 0.26 115.58 116.45 3a4l h ASN 161 Ca -0.00 -0.33 -0.04 0.00 -0.56 0.00 0.00 56.30 55.37 3a4l h ASN 161 Cb 0.65 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.64 3a4l h ASN 161 CO 0.03 1.09 0.02 -0.08 -1.06 0.00 0.00 177.43 177.43 3a4l h GLU 162 N 0.83 0.45 -0.17 0.81 4.22 -1.84 -1.40 114.58 117.47 3a4l h GLU 162 Ca 0.12 -0.13 0.00 0.00 0.08 0.00 0.00 59.36 59.43 3a4l h GLU 162 Cb 0.70 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3a4l h GLU 162 CO 0.05 0.60 0.11 0.82 -2.18 0.00 0.00 179.01 178.41 3a4l h ILE 163 N 0.24 1.04 -0.39 2.32 2.04 -1.25 -1.26 117.51 120.25 3a4l h ILE 163 Ca 0.08 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.89 3a4l h ILE 163 Cb 0.38 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 3a4l h ILE 163 CO 0.01 0.04 0.17 0.00 0.00 0.00 0.00 178.15 178.38 3a4l h ALA 164 N 1.07 0.47 -0.36 1.87 0.00 -0.88 -0.72 119.26 120.72 3a4l h ALA 164 Ca 0.06 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.06 3a4l h ALA 164 Cb -0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 3a4l h ALA 164 CO -0.02 -0.20 -0.01 -0.22 0.00 0.00 0.00 179.25 178.80 3a4l h LYS 165 N 0.36 0.08 -0.76 0.00 3.64 -1.04 0.30 116.57 119.15 3a4l h LYS 165 Ca 0.17 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 3a4l h LYS 165 Cb 0.10 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 3a4l h LYS 165 CO -0.14 0.05 0.35 0.87 -2.27 0.00 0.00 179.45 178.32 3a4l h LYS 166 N 0.09 1.10 -0.36 1.90 1.79 -0.77 -1.57 116.57 118.74 3a4l h LYS 166 Ca 0.17 -0.17 -0.07 0.00 -2.18 0.00 0.00 60.65 58.41 3a4l h LYS 166 Cb 0.25 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 3a4l h LYS 166 CO -0.30 0.86 -0.04 -0.07 -1.08 0.00 0.00 179.45 178.82 3a4l h LEU 167 N 1.07 0.66 -0.88 2.94 3.38 -0.76 -0.75 115.31 120.96 3a4l h LEU 167 Ca 0.26 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3a4l h LEU 167 Cb 0.14 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3a4l h LEU 167 CO -0.03 0.84 0.52 0.40 0.09 0.00 0.00 178.44 180.26 3a4l h ILE 168 N 0.46 1.24 -0.60 1.22 2.04 -0.80 0.10 117.51 121.17 3a4l h ILE 168 Ca 0.10 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 3a4l h ILE 168 Cb 0.53 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 3a4l h ILE 168 CO 0.03 0.26 0.34 -0.33 0.00 0.00 0.00 178.15 178.44 3a4l h GLU 169 N 1.21 0.83 -0.87 2.37 5.08 -1.16 -2.67 114.58 119.36 3a4l h GLU 169 Ca 0.31 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 3a4l h GLU 169 Cb -0.04 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.00 3a4l h GLU 169 CO -0.06 0.62 0.52 -0.22 -1.00 0.00 0.00 179.01 178.87 3a4l h LYS 170 N 0.81 1.19 0.00 2.33 3.64 -0.13 -2.64 116.57 121.78 3a4l h LYS 170 Ca 0.21 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3a4l h LYS 170 Cb 0.02 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 3a4l h LYS 170 CO -0.04 0.84 0.00 -1.13 -2.27 0.00 0.00 179.45 176.85 3a4l n SER 171 N -4.36 0.56 -0.38 4.20 3.41 0.26 -1.48 113.62 115.83 3a4l n SER 171 Ca 0.10 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.50 3a4l n SER 171 Cb 0.07 -0.77 0.25 0.00 -0.26 0.00 0.00 64.21 63.49 3a4l n SER 171 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3a4l n LYS 172 N -2.15 1.09 -1.86 4.33 5.02 -0.99 -4.64 118.16 118.95 3a4l n LYS 172 Ca 0.01 -0.76 -0.32 0.00 -2.02 0.00 0.00 58.31 55.23 3a4l n LYS 172 Cb 0.17 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 33.72 3a4l n LYS 172 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3a4l s GLU 173 N -2.43 3.19 -0.17 1.97 2.02 -0.55 -5.01 118.70 117.73 3a4l s GLU 173 Ca 0.24 1.08 -0.29 0.00 0.02 0.00 0.00 54.97 56.01 3a4l s GLU 173 Cb 0.19 -2.02 -0.01 0.00 0.10 0.00 0.00 34.13 32.39 3a4l s GLU 173 CO 0.51 -0.90 1.13 0.42 0.02 0.00 0.00 175.26 176.44 3a4l s ILE 174 N -2.73 4.50 0.46 -1.63 1.01 -1.26 -4.89 121.20 116.65 3a4l s ILE 174 Ca 0.61 1.81 -0.24 0.00 0.00 0.00 0.00 60.65 62.82 3a4l s ILE 174 Cb -0.15 -4.16 -0.08 0.00 0.01 0.00 0.00 42.46 38.08 3a4l s ILE 174 CO 0.45 -0.11 1.33 -2.84 0.00 0.00 0.00 174.94 173.77 3a4l s PRO 175 N 2.99 3.68 -0.08 2.79 0.02 -1.26 -5.03 135.00 138.12 3a4l s PRO 175 Ca 0.50 2.20 -0.01 0.00 0.02 0.00 0.00 61.00 63.71 3a4l s PRO 175 Cb -0.19 -2.58 0.03 0.00 0.02 0.00 0.00 34.50 31.78 3a4l s PRO 175 CO 0.13 -0.74 -0.01 0.15 -0.33 0.00 0.00 177.00 176.19 3a4l s LYS 176 N -2.50 0.74 0.40 5.54 3.01 -1.26 -5.07 119.74 120.59 3a4l s LYS 176 Ca 0.62 0.06 0.04 0.00 -1.01 0.00 0.00 55.97 55.68 3a4l s LYS 176 Cb -0.39 -1.05 -0.05 0.00 -1.01 0.00 0.00 37.83 35.32 3a4l s LYS 176 CO 0.49 -0.30 0.04 -0.06 0.51 0.00 0.00 175.35 176.04 3a4l s PHE 177 N 1.93 2.10 0.27 3.18 0.40 -1.26 -5.08 117.98 119.53 3a4l s PHE 177 Ca 0.05 -0.91 0.03 0.00 -0.60 0.00 0.00 56.93 55.50 3a4l s PHE 177 Cb -0.12 -1.48 -0.03 0.00 0.51 0.00 0.00 43.02 41.89 3a4l s PHE 177 CO -0.06 0.15 0.42 1.21 0.70 0.00 0.00 175.22 177.64 3a4l s ASN 188 N -3.64 6.31 0.00 1.36 2.47 -1.26 -5.21 114.94 114.97 3a4l s ASN 188 Ca 0.29 0.22 0.29 0.00 0.42 0.00 0.00 52.86 54.08 3a4l s ASN 188 Cb 0.07 -1.93 1.29 0.00 -1.45 0.00 0.00 41.25 39.24 3a4l s ASN 188 CO 0.14 -0.14 1.95 -0.46 -3.72 0.00 0.00 177.10 174.86 3a4l n ASN 189 N -1.49 0.00 0.03 -4.21 2.04 -1.26 -2.31 115.26 108.06 3a4l n ASN 189 Ca -0.07 0.35 -0.07 0.00 -0.44 0.00 0.00 54.58 54.35 3a4l n ASN 189 Cb 0.57 -0.45 0.10 0.00 -2.53 0.00 0.00 39.78 37.46 3a4l n ASN 189 CO 0.00 0.00 0.00 -0.29 -0.44 0.00 0.00 177.26 176.53 3a4l h ILE 190 N 0.00 1.33 -0.37 1.53 6.09 -2.05 -0.57 117.51 123.47 3a4l h ILE 190 Ca 0.00 -1.76 -0.13 0.00 -1.37 0.00 0.00 64.86 61.59 3a4l h ILE 190 Cb 0.44 1.77 -0.01 0.00 0.47 0.00 0.00 36.82 39.50 3a4l h ILE 190 CO 0.00 0.54 -0.29 -1.28 -3.07 0.00 0.00 178.15 174.05 3a4l h SER 191 N 0.35 0.89 -0.44 2.19 0.87 -1.90 -1.02 113.55 114.50 3a4l h SER 191 Ca 0.01 -0.44 -0.01 0.00 -1.23 0.00 0.00 61.79 60.12 3a4l h SER 191 Cb 1.03 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 3a4l h SER 191 CO 0.09 1.15 0.24 0.44 -0.53 0.00 0.00 176.83 178.22 3a4l h ASP 192 N 0.64 0.55 -0.38 6.23 3.32 -1.46 0.68 116.42 126.01 3a4l h ASP 192 Ca 0.07 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3a4l h ASP 192 Cb 0.86 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 3a4l h ASP 192 CO 0.08 0.49 0.25 0.50 -1.72 0.00 0.00 179.24 178.83 3a4l h LYS 193 N 0.58 0.50 -0.21 3.56 1.63 -0.93 0.15 116.57 121.85 3a4l h LYS 193 Ca 0.16 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.88 3a4l h LYS 193 Cb 0.06 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.57 3a4l h LYS 193 CO -0.02 0.34 -0.04 0.82 -3.45 0.00 0.00 179.45 177.09 3a4l h ILE 194 N 0.51 1.28 -0.57 2.00 2.04 -1.06 -0.13 117.51 121.57 3a4l h ILE 194 Ca 0.14 -1.02 0.10 0.00 1.00 0.00 0.00 64.86 65.08 3a4l h ILE 194 Cb -0.05 1.52 -0.08 0.00 -0.74 0.00 0.00 36.82 37.48 3a4l h ILE 194 CO -0.03 0.31 0.14 -0.78 0.00 0.00 0.00 178.15 177.79 3a4l h ASP 195 N 0.13 0.04 0.21 1.72 3.58 -0.71 -1.50 116.42 119.89 3a4l h ASP 195 Ca 0.05 0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.59 3a4l h ASP 195 Cb 0.49 0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.67 3a4l h ASP 195 CO 0.02 0.04 -0.10 0.50 -2.88 0.00 0.00 179.24 176.82 3a4l h LYS 196 N 0.28 -0.27 -0.21 0.28 3.64 -0.51 -2.65 116.57 117.13 3a4l h LYS 196 Ca 0.29 0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.54 3a4l h LYS 196 Cb 0.41 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3a4l h LYS 196 CO -0.36 0.05 -0.47 0.93 -2.27 0.00 0.00 179.45 177.33 3a4l h GLU 197 N -0.61 0.56 -0.66 1.90 4.39 -0.97 -2.02 114.58 117.16 3a4l h GLU 197 Ca -0.03 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.35 3a4l h GLU 197 Cb 0.45 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 3a4l h GLU 197 CO 0.05 0.91 0.38 1.79 -1.16 0.00 0.00 179.01 180.98 3a4l h THR 198 N 0.45 1.19 -0.42 1.13 1.35 -1.34 0.96 112.91 116.24 3a4l h THR 198 Ca 0.02 -0.46 -0.01 0.00 -0.55 0.00 0.00 66.41 65.41 3a4l h THR 198 Cb 1.00 0.28 -0.02 0.00 -1.73 0.00 0.00 68.15 67.68 3a4l h THR 198 CO 0.09 0.21 0.20 -0.09 -0.25 0.00 0.00 175.52 175.68 3a4l h ARG 199 N 0.92 0.60 -0.69 4.72 2.43 -1.09 -0.78 114.38 120.49 3a4l h ARG 199 Ca 0.24 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 3a4l h ARG 199 Cb -0.00 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 3a4l h ARG 199 CO -0.04 0.52 0.18 -0.22 -1.51 0.00 0.00 179.97 178.90 3a4l h LYS 200 N 0.54 1.10 -0.37 0.20 1.63 -0.89 -0.59 116.57 118.19 3a4l h LYS 200 Ca 0.14 -0.26 -0.03 0.00 -0.85 0.00 0.00 60.65 59.66 3a4l h LYS 200 Cb 0.11 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.58 3a4l h LYS 200 CO -0.02 0.97 0.13 0.82 -3.45 0.00 0.00 179.45 177.90 3a4l h ILE 201 N 1.03 1.20 -0.27 2.00 2.04 -0.61 0.21 117.51 123.12 3a4l h ILE 201 Ca 0.22 -0.64 0.05 0.00 1.00 0.00 0.00 64.86 65.49 3a4l h ILE 201 Cb 0.36 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 3a4l h ILE 201 CO 0.00 0.23 -0.03 0.58 0.00 0.00 0.00 178.15 178.93 3a4l h VAL 202 N 0.45 0.78 -0.66 1.67 2.07 -0.95 -0.26 116.25 119.35 3a4l h VAL 202 Ca 0.12 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.65 3a4l h VAL 202 Cb 0.22 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 3a4l h VAL 202 CO -0.01 0.01 0.41 0.28 0.02 0.00 0.00 177.57 178.28 3a4l h SER 203 N 0.05 0.68 -0.48 0.57 0.02 -0.77 -1.48 113.55 112.14 3a4l h SER 203 Ca 0.13 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 3a4l h SER 203 Cb 0.18 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 3a4l h SER 203 CO -0.24 0.47 0.13 -0.33 -1.14 0.00 0.00 176.83 175.72 3a4l h GLU 204 N 0.81 0.82 -0.15 3.45 4.39 -0.39 -1.84 114.58 121.67 3a4l h GLU 204 Ca 0.26 -0.16 -0.06 0.00 0.34 0.00 0.00 59.36 59.74 3a4l h GLU 204 Cb 0.01 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.54 3a4l h GLU 204 CO -0.10 0.74 -0.12 1.88 -1.16 0.00 0.00 179.01 180.24 3a4l h TYR 205 N 0.79 0.41 -0.27 4.33 -1.99 -0.61 -1.72 116.97 117.91 3a4l h TYR 205 Ca 0.17 -0.12 0.06 0.00 2.00 0.00 0.00 58.73 60.84 3a4l h TYR 205 Cb 0.29 -0.09 -0.06 0.00 2.00 0.00 0.00 36.73 38.87 3a4l h TYR 205 CO 0.02 0.72 -0.10 0.82 -0.00 0.00 0.00 178.16 179.62 3a4l h ILE 206 N -0.01 0.66 -0.67 -2.88 2.04 -1.17 -1.31 117.51 114.17 3a4l h ILE 206 Ca 0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 3a4l h ILE 206 Cb 0.64 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 3a4l h ILE 206 CO 0.03 0.00 0.34 0.11 0.00 0.00 0.00 178.15 178.63 3a4l h LYS 207 N -0.04 0.95 0.00 2.37 1.57 -1.30 -2.13 116.57 117.99 3a4l h LYS 207 Ca 0.14 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3a4l h LYS 207 Cb 0.25 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3a4l h LYS 207 CO -0.31 0.74 -0.88 -1.13 -0.57 0.00 0.00 179.45 177.30 3a4l n SER 208 N -4.49 0.65 -0.74 0.86 3.41 -0.65 -3.37 113.62 109.29 3a4l n SER 208 Ca 0.05 -0.04 0.07 0.00 -0.26 0.00 0.00 58.87 58.69 3a4l n SER 208 Cb 0.11 0.54 0.16 0.00 -0.26 0.00 0.00 64.21 64.76 3a4l n SER 208 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3a4l n LYS 209 N -2.07 2.41 -4.01 4.33 5.02 -0.52 -5.00 118.16 118.32 3a4l n LYS 209 Ca 0.02 -1.99 -0.42 0.00 -2.02 0.00 0.00 58.31 53.90 3a4l n LYS 209 Cb 0.45 -1.32 0.02 0.00 -0.02 0.00 0.00 35.03 34.15 3a4l n LYS 209 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3a4l n LYS 210 N 0.77 -0.55 -1.97 1.97 5.02 -0.85 -4.85 118.16 117.70 3a4l n LYS 210 Ca 0.13 0.23 -0.41 0.00 -2.02 0.00 0.00 58.31 56.25 3a4l n LYS 210 Cb 0.44 -2.45 -0.01 0.00 -0.02 0.00 0.00 35.03 32.99 3a4l n LYS 210 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3a4l s LEU 211 N -6.87 4.37 0.88 -0.35 1.02 -0.92 -5.02 118.68 111.79 3a4l s LEU 211 Ca 0.38 2.86 -0.12 0.00 0.02 0.00 0.00 54.13 57.27 3a4l s LEU 211 Cb -0.21 -3.66 0.12 0.00 0.02 0.00 0.00 46.19 42.46 3a4l s LEU 211 CO 0.96 -0.70 1.14 1.51 0.02 0.00 0.00 176.35 179.28 3a4l s ASP 212 N -0.33 3.79 0.42 2.29 -4.77 -1.26 -4.80 116.67 112.01 3a4l s ASP 212 Ca 0.51 0.95 0.12 0.00 -3.30 0.00 0.00 52.55 50.83 3a4l s ASP 212 Cb -0.43 -1.53 0.97 0.00 -1.09 0.00 0.00 42.92 40.85 3a4l s ASP 212 CO 0.58 -2.37 1.97 0.07 0.70 0.00 0.00 175.17 176.11 3a4l h LYS 213 N -1.38 0.47 0.09 2.11 2.10 -1.99 -1.45 116.57 116.51 3a4l h LYS 213 Ca -0.49 -0.03 -0.27 0.00 -2.00 0.00 0.00 60.65 57.86 3a4l h LYS 213 Cb 1.33 -0.11 0.01 0.00 -0.90 0.00 0.00 32.23 32.56 3a4l h LYS 213 CO 0.63 0.31 -1.15 -0.44 -2.00 0.00 0.00 179.45 176.80 3a4l h ASP 214 N 0.48 0.60 -0.13 7.07 5.19 -2.00 -2.67 116.42 124.96 3a4l h ASP 214 Ca 0.30 -0.56 -0.08 0.00 -0.62 0.00 0.00 57.03 56.07 3a4l h ASP 214 Cb 0.52 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.83 3a4l h ASP 214 CO -0.09 1.39 -0.17 0.11 -3.12 0.00 0.00 179.24 177.36 3a4l h LYS 215 N 0.19 0.52 -0.39 3.56 1.57 -1.82 -2.71 116.57 117.48 3a4l h LYS 215 Ca -0.13 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.50 3a4l h LYS 215 Cb 1.82 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 34.06 3a4l h LYS 215 CO 0.20 0.67 0.22 0.82 -0.57 0.00 0.00 179.45 180.79 3a4l h ILE 216 N 0.47 1.02 -0.73 1.86 2.04 -1.20 -1.88 117.51 119.08 3a4l h ILE 216 Ca 0.08 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.74 3a4l h ILE 216 Cb 0.56 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 3a4l h ILE 216 CO 0.04 0.08 0.25 0.11 0.00 0.00 0.00 178.15 178.63 3a4l h LYS 217 N 0.44 1.12 -0.20 2.37 1.79 -1.30 -1.65 116.57 119.14 3a4l h LYS 217 Ca 0.16 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 3a4l h LYS 217 Cb 0.03 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.50 3a4l h LYS 217 CO -0.09 0.94 0.13 0.93 -1.08 0.00 0.00 179.45 180.29 3a4l h GLU 218 N 1.07 0.27 -0.65 3.15 5.08 -1.24 -1.21 114.58 121.05 3a4l h GLU 218 Ca 0.24 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.53 3a4l h GLU 218 Cb 0.27 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 3a4l h GLU 218 CO -0.01 0.18 0.20 0.28 -1.00 0.00 0.00 179.01 178.66 3a4l h VAL 219 N 0.28 1.25 -0.64 3.13 2.07 -1.24 0.77 116.25 121.87 3a4l h VAL 219 Ca 0.08 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.75 3a4l h VAL 219 Cb -0.03 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 3a4l h VAL 219 CO -0.02 0.33 0.42 0.58 0.02 0.00 0.00 177.57 178.90 3a4l h VAL 220 N 0.94 1.15 -0.25 2.57 2.07 -1.21 0.25 116.25 121.77 3a4l h VAL 220 Ca 0.21 -0.29 -0.15 0.00 0.82 0.00 0.00 66.70 67.28 3a4l h VAL 220 Cb 0.29 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3a4l h VAL 220 CO -0.01 0.16 -0.48 -0.08 0.02 0.00 0.00 177.57 177.18 3a4l h GLU 221 N 0.85 0.66 -0.33 1.57 4.57 -0.79 -2.65 114.58 118.46 3a4l h GLU 221 Ca 0.24 -0.38 0.06 0.00 -1.18 0.00 0.00 59.36 58.10 3a4l h GLU 221 Cb -0.08 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.48 3a4l h GLU 221 CO -0.06 0.99 -0.02 1.25 -1.18 0.00 0.00 179.01 179.99 3a4l h LEU 222 N 0.52 -0.19 -0.35 1.64 6.46 0.95 -1.08 115.31 123.27 3a4l h LEU 222 Ca 0.03 0.08 0.03 0.00 -0.12 0.00 0.00 57.88 57.90 3a4l h LEU 222 Cb 1.02 0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 41.08 3a4l h LEU 222 CO 0.10 -0.06 0.16 -0.09 -0.62 0.00 0.00 178.44 177.93 3a4l h ARG 223 N 0.06 0.33 -0.51 1.25 2.43 -0.74 0.15 114.38 117.35 3a4l h ARG 223 Ca 0.16 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 3a4l h ARG 223 Cb 0.23 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 3a4l h ARG 223 CO -0.29 0.22 0.29 1.57 -1.51 0.00 0.00 179.97 180.25 3a4l h LYS 224 N 0.34 0.71 -0.37 0.20 2.10 -1.08 -0.24 116.57 118.23 3a4l h LYS 224 Ca 0.15 -0.08 0.05 0.00 -2.00 0.00 0.00 60.65 58.78 3a4l h LYS 224 Cb 0.08 -0.14 -0.05 0.00 -0.90 0.00 0.00 32.23 31.22 3a4l h LYS 224 CO -0.12 0.54 0.10 0.93 -2.00 0.00 0.00 179.45 178.90 3a4l h GLU 225 N 0.68 0.22 -0.16 0.07 4.39 -0.88 -1.66 114.58 117.25 3a4l h GLU 225 Ca 0.18 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.91 3a4l h GLU 225 Cb 0.03 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.59 3a4l h GLU 225 CO -0.03 0.15 -0.09 0.35 -1.16 0.00 0.00 179.01 178.22 3a4l h PHE 226 N 0.23 -0.22 0.00 4.33 3.04 -0.51 -1.99 116.94 121.82 3a4l h PHE 226 Ca 0.18 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.13 3a4l h PHE 226 Cb 0.19 0.12 -0.00 0.00 2.56 0.00 0.00 35.95 38.82 3a4l h PHE 226 CO -0.17 -0.14 -0.07 -0.07 -2.02 0.00 0.00 178.31 175.83 3a4l h LEU 227 N -0.08 0.00 -0.31 0.59 3.38 -0.61 -1.44 115.31 116.84 3a4l h LEU 227 Ca 0.09 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.89 3a4l h LEU 227 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3a4l h LEU 227 CO -0.22 0.07 -0.51 0.11 0.09 0.00 0.00 178.44 177.98 3a4l h LYS 228 N 0.00 0.88 -0.41 1.13 1.57 -0.60 -2.55 116.57 116.59 3a4l h LYS 228 Ca -0.00 -0.54 -0.09 0.00 -1.87 0.00 0.00 60.65 58.14 3a4l h LYS 228 Cb 0.14 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3a4l h LYS 228 CO 0.01 1.18 -0.11 0.87 -0.57 0.00 0.00 179.45 180.83 3a4l h LYS 229 N 0.68 0.81 0.00 3.15 1.57 -0.75 -3.10 116.57 118.92 3a4l h LYS 229 Ca 0.02 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 3a4l h LYS 229 Cb 1.11 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 3a4l h LYS 229 CO 0.12 0.93 -0.02 -0.84 -0.57 0.00 0.00 179.45 179.07 3a4l h ILE 230 N 0.62 0.03 -0.17 1.86 -0.00 -1.37 -3.52 117.51 114.97 3a4l h ILE 230 Ca 0.10 -0.79 -0.46 0.00 -0.00 0.00 0.00 64.86 63.71 3a4l h ILE 230 Cb 0.64 1.77 0.03 0.00 -0.00 0.00 0.00 36.82 39.26 3a4l h ILE 230 CO 0.04 0.02 1.48 1.17 -0.00 0.00 0.00 178.15 180.85 3a4l n LYS 231 N -3.11 1.16 -1.64 0.16 0.00 -0.96 -5.10 118.16 108.68 3a4l n LYS 231 Ca 0.02 -1.93 -0.38 0.00 0.00 0.00 0.00 58.31 56.03 3a4l n LYS 231 Cb 0.42 -3.26 0.05 0.00 0.00 0.00 0.00 35.03 32.25 3a4l n LYS 231 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 3a4l n ASP 237 N 11.54 1.13 -0.17 3.14 3.85 -1.26 -5.01 116.55 129.77 3a4l n ASP 237 Ca 0.47 0.84 -0.11 0.00 -0.71 0.00 0.00 54.79 55.28 3a4l n ASP 237 Cb 0.44 -1.42 0.00 0.00 -1.35 0.00 0.00 41.12 38.79 3a4l n ASP 237 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3a4l h ALA 238 N 0.68 0.69 -0.09 2.12 0.00 -1.99 -3.02 119.26 117.65 3a4l h ALA 238 Ca -0.49 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.06 3a4l h ALA 238 Cb 1.35 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3a4l h ALA 238 CO 0.52 0.66 0.02 -0.44 0.00 0.00 0.00 179.25 180.01 3a4l h ASP 239 N 0.86 0.01 -0.23 0.00 3.32 -2.02 0.15 116.42 118.51 3a4l h ASP 239 Ca 0.12 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3a4l h ASP 239 Cb 0.75 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 3a4l h ASP 239 CO 0.06 0.02 0.15 -0.09 -1.72 0.00 0.00 179.24 177.66 3a4l h ARG 240 N 0.06 0.29 -0.86 3.56 2.43 -2.00 -0.41 114.38 117.45 3a4l h ARG 240 Ca 0.04 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3a4l h ARG 240 Cb 0.03 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 3a4l h ARG 240 CO -0.05 0.19 0.50 0.28 -1.51 0.00 0.00 179.97 179.39 3a4l h VAL 241 N 0.30 1.24 -0.16 0.20 2.07 -1.39 -1.29 116.25 117.22 3a4l h VAL 241 Ca 0.08 -0.55 -0.16 0.00 0.82 0.00 0.00 66.70 66.90 3a4l h VAL 241 Cb -0.03 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.78 3a4l h VAL 241 CO -0.02 0.26 -0.56 -0.07 0.02 0.00 0.00 177.57 177.20 3a4l h LEU 242 N 1.18 0.54 -0.55 2.57 3.38 -0.67 -0.61 115.31 121.16 3a4l h LEU 242 Ca 0.31 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3a4l h LEU 242 Cb -0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3a4l h LEU 242 CO -0.06 0.99 0.16 0.50 0.09 0.00 0.00 178.44 180.13 3a4l h LYS 243 N 0.37 0.86 -0.76 1.13 3.64 -0.79 -1.67 116.57 119.36 3a4l h LYS 243 Ca 0.00 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.15 3a4l h LYS 243 Cb 1.09 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 3a4l h LYS 243 CO 0.10 0.79 0.31 1.49 -2.27 0.00 0.00 179.45 179.87 3a4l h GLU 244 N 0.77 1.13 -0.56 1.90 4.57 -1.10 -0.45 114.58 120.83 3a4l h GLU 244 Ca 0.18 -0.20 0.02 0.00 -1.18 0.00 0.00 59.36 58.17 3a4l h GLU 244 Cb 0.29 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 3a4l h GLU 244 CO -0.00 0.92 0.35 0.35 -1.18 0.00 0.00 179.01 179.45 3a4l h PHE 245 N 1.09 0.66 -0.74 0.92 3.57 -0.74 0.40 116.94 122.10 3a4l h PHE 245 Ca 0.25 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.77 3a4l h PHE 245 Cb 0.21 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 3a4l h PHE 245 CO 0.02 0.39 0.48 0.87 -2.23 0.00 0.00 178.31 177.84 3a4l h LYS 246 N 0.70 0.99 -0.71 1.11 1.57 -0.93 -1.62 116.57 117.68 3a4l h LYS 246 Ca 0.22 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3a4l h LYS 246 Cb -0.02 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.04 3a4l h LYS 246 CO -0.08 0.67 0.40 -0.44 -0.57 0.00 0.00 179.45 179.43 3a4l h ASP 247 N 1.01 0.86 -0.30 0.86 3.32 -0.38 -1.28 116.42 120.52 3a4l h ASP 247 Ca 0.27 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 3a4l h ASP 247 Cb -0.09 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 3a4l h ASP 247 CO -0.06 0.69 0.02 0.25 -1.72 0.00 0.00 179.24 178.42 3a4l h LEU 248 N 0.98 0.50 -0.65 1.55 6.46 -0.41 -0.05 115.31 123.70 3a4l h LEU 248 Ca 0.25 -0.29 -0.05 0.00 -0.12 0.00 0.00 57.88 57.67 3a4l h LEU 248 Cb 0.01 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 39.77 3a4l h LEU 248 CO -0.04 0.67 0.21 -0.07 -0.62 0.00 0.00 178.44 178.58 3a4l h LEU 249 N 0.32 0.94 -0.03 2.25 3.38 -0.88 0.74 115.31 122.03 3a4l h LEU 249 Ca 0.09 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3a4l h LEU 249 Cb 0.40 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3a4l h LEU 249 CO 0.01 0.89 0.01 0.78 0.09 0.00 0.00 178.44 180.23 3a4l h ASN 250 N 0.94 0.02 -0.63 -0.43 2.35 -1.10 -2.91 115.58 113.81 3a4l h ASN 250 Ca 0.21 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 56.01 3a4l h ASN 250 Cb 0.29 -0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.61 3a4l h ASN 250 CO -0.01 0.02 0.36 0.28 -1.65 0.00 0.00 177.43 176.43 3a4l h SER 251 N 0.03 0.56 0.00 5.81 0.02 -0.81 -3.51 113.55 115.65 3a4l h SER 251 Ca 0.01 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3a4l h SER 251 Cb 0.00 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.44 3a4l h SER 251 CO -0.01 0.38 0.00 0.00 -1.14 0.00 0.00 176.83 176.06