#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a4l s ILE 4 N 0.00 4.97 0.12 2.12 1.01 -1.26 -4.94 121.20 123.22 3a4l s ILE 4 Ca 0.00 0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.69 3a4l s ILE 4 Cb 0.00 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.28 3a4l s ILE 4 CO 0.00 0.60 -0.08 0.00 0.00 0.00 0.00 174.94 175.46 3a4l s MET 5 N -0.86 0.94 -0.27 2.79 0.23 -1.26 -3.96 119.30 116.90 3a4l s MET 5 Ca 0.13 -1.38 -0.09 0.00 -1.03 0.00 0.00 55.69 53.32 3a4l s MET 5 Cb -0.12 -0.41 -0.04 0.00 -1.53 0.00 0.00 34.83 32.74 3a4l s MET 5 CO 0.03 0.03 0.14 -1.17 -2.03 0.00 0.00 175.02 172.02 3a4l s LEU 6 N -3.07 3.81 -0.27 0.18 2.96 -0.71 -2.36 118.68 119.22 3a4l s LEU 6 Ca 0.14 -0.16 -0.09 0.00 -0.22 0.00 0.00 54.13 53.80 3a4l s LEU 6 Cb 0.04 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 3a4l s LEU 6 CO -0.02 -0.07 0.13 -0.63 -1.32 0.00 0.00 176.35 174.44 3a4l s ILE 7 N 1.68 4.74 -0.40 6.68 1.01 0.52 -0.92 121.20 134.50 3a4l s ILE 7 Ca 0.06 -0.07 -0.09 0.00 0.00 0.00 0.00 60.65 60.56 3a4l s ILE 7 Cb -0.16 -3.26 0.07 0.00 0.01 0.00 0.00 42.46 39.12 3a4l s ILE 7 CO 0.07 0.27 0.23 -0.63 0.00 0.00 0.00 174.94 174.88 3a4l s ILE 8 N 1.67 4.15 0.53 2.92 1.01 0.35 0.23 121.20 132.06 3a4l s ILE 8 Ca 0.06 -1.35 -0.18 0.00 0.00 0.00 0.00 60.65 59.18 3a4l s ILE 8 Cb -0.16 -3.51 -0.06 0.00 0.01 0.00 0.00 42.46 38.74 3a4l s ILE 8 CO 0.07 -0.45 1.04 -0.76 0.00 0.00 0.00 174.94 174.83 3a4l s LEU 9 N 1.42 3.67 -0.12 2.97 1.43 -0.86 -0.79 118.68 126.40 3a4l s LEU 9 Ca 0.02 1.83 -0.15 0.00 -1.03 0.00 0.00 54.13 54.80 3a4l s LEU 9 Cb -0.22 -4.54 0.04 0.00 0.03 0.00 0.00 46.19 41.49 3a4l s LEU 9 CO 0.02 -0.90 0.40 0.28 0.23 0.00 0.00 176.35 176.38 3a4l s THR 10 N -2.27 0.01 0.00 5.49 -1.32 -0.76 -4.57 115.64 112.22 3a4l s THR 10 Ca 0.64 -0.09 0.00 0.00 -1.21 0.00 0.00 61.69 61.04 3a4l s THR 10 Cb -0.15 -0.59 0.00 0.00 -1.51 0.00 0.00 72.50 70.25 3a4l s THR 10 CO 0.28 -0.05 0.00 0.61 -2.21 0.00 0.00 174.62 173.26 3a4l n GLY 11 N 2.50 3.63 3.76 6.08 0.00 -0.94 -1.28 105.19 118.93 3a4l n GLY 11 Ca -0.15 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 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 2.66 0.21 0.99 1.43 -1.26 -4.42 118.68 118.29 3a4l s LEU 12 Ca 0.00 1.60 -0.32 0.00 -1.03 0.00 0.00 54.13 54.38 3a4l s LEU 12 Cb 0.00 -4.18 -0.14 0.00 0.03 0.00 0.00 46.19 41.90 3a4l s LEU 12 CO 0.00 -2.24 1.41 -2.65 0.23 0.00 0.00 176.35 173.10 3a4l n PRO 13 N -3.63 1.92 -0.95 1.29 -0.02 -1.26 -1.81 135.00 130.53 3a4l n PRO 13 Ca 0.08 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3a4l n PRO 13 Cb 0.54 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 2.37 0.70 0.27 -1.23 0.00 -1.26 -4.90 105.19 101.14 3a4l n GLY 14 Ca 0.13 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.31 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 0.03 0.00 1.61 3.04 -1.70 -3.47 116.25 115.76 3a4l h VAL 15 Ca 0.00 -0.61 0.00 0.00 -1.01 0.00 0.00 66.70 65.08 3a4l h VAL 15 Cb 0.05 1.60 0.00 0.00 -2.01 0.00 0.00 31.29 30.93 3a4l h VAL 15 CO 0.00 0.01 0.00 0.61 -1.01 0.00 0.00 177.57 177.18 3a4l n GLY 16 N 0.20 1.94 0.07 3.17 0.00 -1.26 -4.84 105.19 104.47 3a4l n GLY 16 Ca 0.01 0.00 -0.10 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 0.02 -0.41 1.61 1.57 -1.90 0.03 116.57 117.50 3a4l h LYS 17 Ca 0.00 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 3a4l h LYS 17 Cb 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3a4l h LYS 17 CO 0.00 0.01 -0.26 0.77 -0.57 0.00 0.00 179.45 179.40 3a4l h SER 18 N 0.02 0.94 -0.46 0.86 0.02 -1.97 0.26 113.55 113.22 3a4l h SER 18 Ca 0.05 -0.43 -0.02 0.00 -0.84 0.00 0.00 61.79 60.55 3a4l h SER 18 Cb 0.06 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 3a4l h SER 18 CO -0.08 1.16 0.23 0.74 -1.14 0.00 0.00 176.83 177.73 3a4l h THR 19 N 0.72 1.18 -0.67 -2.27 2.02 -1.98 -1.42 112.91 110.49 3a4l h THR 19 Ca 0.08 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.72 3a4l h THR 19 Cb 0.84 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 3a4l h THR 19 CO 0.07 0.20 0.30 0.15 0.37 0.00 0.00 175.52 176.61 3a4l h PHE 20 N 0.60 0.98 -0.35 3.16 3.04 -0.82 -1.99 116.94 121.57 3a4l h PHE 20 Ca 0.16 -0.06 0.02 0.00 3.98 0.00 0.00 57.97 62.07 3a4l h PHE 20 Cb 0.11 -0.30 -0.03 0.00 2.56 0.00 0.00 35.95 38.29 3a4l h PHE 20 CO -0.01 0.75 0.18 0.77 -2.02 0.00 0.00 178.31 177.97 3a4l h SER 21 N 0.93 0.26 -0.38 0.41 0.02 -0.19 0.24 113.55 114.84 3a4l h SER 21 Ca 0.23 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.08 3a4l h SER 21 Cb 0.15 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 3a4l h SER 21 CO -0.02 0.19 -0.15 0.11 -1.14 0.00 0.00 176.83 175.82 3a4l h LYS 22 N 0.36 0.85 -0.33 3.45 6.56 -1.05 -0.02 116.57 126.39 3a4l h LYS 22 Ca 0.14 -0.31 -0.05 0.00 -1.06 0.00 0.00 60.65 59.38 3a4l h LYS 22 Cb 0.05 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 31.64 3a4l h LYS 22 CO -0.10 0.94 0.03 -0.91 -2.06 0.00 0.00 179.45 177.36 3a4l h ASN 23 N 0.75 0.55 -0.52 0.86 2.35 -1.07 -1.85 115.58 116.65 3a4l h ASN 23 Ca 0.12 -0.28 -0.08 0.00 -0.55 0.00 0.00 56.30 55.50 3a4l h ASN 23 Cb 0.66 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 3a4l h ASN 23 CO 0.05 0.69 -0.00 0.25 -1.65 0.00 0.00 177.43 176.77 3a4l h LEU 24 N 0.38 0.90 -0.87 1.61 5.85 -0.76 -2.44 115.31 119.99 3a4l h LEU 24 Ca 0.10 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.51 3a4l h LEU 24 Cb 0.39 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3a4l h LEU 24 CO 0.01 0.99 0.56 0.00 -0.34 0.00 0.00 178.44 179.66 3a4l h ALA 25 N 0.94 1.11 -0.49 1.25 0.00 -0.99 -0.86 119.26 120.22 3a4l h ALA 25 Ca 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3a4l h ALA 25 Cb 0.53 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3a4l h ALA 25 CO 0.03 0.54 0.27 -0.22 0.00 0.00 0.00 179.25 179.87 3a4l h LYS 26 N 1.19 0.68 -0.26 0.00 3.11 -1.04 -1.18 116.57 119.07 3a4l h LYS 26 Ca 0.32 -0.08 -0.13 0.00 -2.81 0.00 0.00 60.65 57.95 3a4l h LYS 26 Cb -0.10 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 30.98 3a4l h LYS 26 CO -0.06 0.53 -0.39 0.97 -2.81 0.00 0.00 179.45 177.69 3a4l h ILE 27 N 0.65 1.29 -0.45 2.00 2.10 -1.13 -1.81 117.51 120.15 3a4l h ILE 27 Ca 0.17 -1.55 -0.07 0.00 1.08 0.00 0.00 64.86 64.50 3a4l h ILE 27 Cb 0.04 1.52 -0.02 0.00 -1.09 0.00 0.00 36.82 37.27 3a4l h ILE 27 CO -0.03 0.49 0.01 -0.07 -1.08 0.00 0.00 178.15 177.47 3a4l h LEU 28 N 0.50 0.78 -1.28 2.19 3.38 -0.99 -2.60 115.31 117.28 3a4l h LEU 28 Ca 0.05 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 3a4l h LEU 28 Cb 0.89 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3a4l h LEU 28 CO 0.08 0.89 -0.36 0.77 0.09 0.00 0.00 178.44 179.91 3a4l h SER 29 N 0.64 0.00 -0.06 -0.43 4.64 -1.06 0.25 113.55 117.54 3a4l h SER 29 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3a4l h SER 29 Cb 0.48 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3a4l h SER 29 CO 0.02 0.36 0.04 0.11 -0.87 0.00 0.00 176.83 176.48 3a4l h LYS 30 N 0.00 0.06 -0.65 4.77 1.57 -0.97 -0.65 116.57 120.70 3a4l h LYS 30 Ca -0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3a4l h LYS 30 Cb 0.65 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.95 3a4l h LYS 30 CO 0.05 0.04 0.00 0.09 -0.57 0.00 0.00 179.45 179.06 3a4l n ASN 31 N -4.53 3.80 -2.12 0.86 4.13 -0.03 -4.90 115.26 112.47 3a4l n ASN 31 Ca -0.02 -2.45 -0.17 0.00 1.68 0.00 0.00 54.58 53.62 3a4l n ASN 31 Cb 0.09 -0.54 0.01 0.00 -1.54 0.00 0.00 39.78 37.80 3a4l n ASN 31 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3a4l n ASN 32 N 0.59 -5.02 -4.77 6.41 4.05 -0.25 -5.01 115.26 111.27 3a4l n ASN 32 Ca 0.18 -0.11 -0.37 0.00 0.45 0.00 0.00 54.58 54.74 3a4l n ASN 32 Cb 0.76 -4.01 -0.07 0.00 1.23 0.00 0.00 39.78 37.69 3a4l n ASN 32 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3a4l s ILE 33 N -2.92 5.28 -0.39 -1.44 1.01 -0.57 -5.00 121.20 117.17 3a4l s ILE 33 Ca 0.10 0.57 -0.26 0.00 0.00 0.00 0.00 60.65 61.07 3a4l s ILE 33 Cb -0.05 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 38.82 3a4l s ILE 33 CO 0.13 0.45 0.92 -1.81 0.00 0.00 0.00 174.94 174.63 3a4l s ASP 34 N -0.02 6.63 0.02 3.58 1.01 -1.26 -3.84 116.67 122.77 3a4l s ASP 34 Ca 0.18 0.46 0.03 0.00 0.71 0.00 0.00 52.55 53.93 3a4l s ASP 34 Cb -0.14 -2.46 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 3a4l s ASP 34 CO 0.06 -0.89 -0.09 0.54 0.21 0.00 0.00 175.17 174.99 3a4l s VAL 35 N 3.52 0.68 0.00 -1.27 0.11 -1.26 -0.78 120.40 121.41 3a4l s VAL 35 Ca 0.37 -0.66 0.06 0.00 -2.93 0.00 0.00 61.98 58.83 3a4l s VAL 35 Cb -0.12 -0.63 -0.02 0.00 -1.53 0.00 0.00 36.38 34.08 3a4l s VAL 35 CO 0.20 -0.02 -0.20 -0.51 -3.33 0.00 0.00 175.10 171.25 3a4l s ILE 36 N -0.63 1.60 -0.26 7.04 2.07 -0.43 -4.96 121.20 125.63 3a4l s ILE 36 Ca -0.01 -0.95 -0.11 0.00 -1.41 0.00 0.00 60.65 58.17 3a4l s ILE 36 Cb -0.06 -1.35 -0.05 0.00 0.13 0.00 0.00 42.46 41.13 3a4l s ILE 36 CO 0.00 0.38 0.17 -0.69 -1.91 0.00 0.00 174.94 172.90 3a4l s VAL 37 N -0.56 5.34 -0.02 4.00 1.01 -1.26 -0.57 120.40 128.32 3a4l s VAL 37 Ca 0.08 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.26 3a4l s VAL 37 Cb -0.08 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.79 3a4l s VAL 37 CO -0.00 0.30 -0.09 -0.76 0.00 0.00 0.00 175.10 174.55 3a4l s LEU 38 N 1.39 1.81 0.16 3.92 1.43 0.09 -4.96 118.68 122.51 3a4l s LEU 38 Ca 0.07 -0.19 -0.19 0.00 -1.03 0.00 0.00 54.13 52.79 3a4l s LEU 38 Cb -0.15 -0.55 0.05 0.00 0.03 0.00 0.00 46.19 45.57 3a4l s LEU 38 CO 0.08 0.07 0.52 -0.83 0.23 0.00 0.00 176.35 176.41 3a4l s GLY 39 N 0.16 -0.36 0.53 -3.19 0.00 -1.26 -0.52 107.32 102.67 3a4l s GLY 39 Ca -0.03 0.12 0.22 0.00 0.00 0.00 0.00 44.72 45.03 3a4l s GLY 39 CO 0.00 -0.11 2.15 1.48 0.00 0.00 0.00 173.10 176.63 3a4l h SER 40 N 2.17 0.00 0.24 1.64 4.64 -1.92 -1.26 113.55 119.07 3a4l h SER 40 Ca -0.32 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.99 3a4l h SER 40 Cb 1.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3a4l h SER 40 CO 0.41 0.04 -0.04 0.44 -0.87 0.00 0.00 176.83 176.80 3a4l h ASP 41 N 0.00 0.00 -0.61 4.97 3.45 -1.97 -1.11 116.42 121.15 3a4l h ASP 41 Ca -0.00 0.00 0.03 0.00 0.43 0.00 0.00 57.03 57.49 3a4l h ASP 41 Cb 0.09 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 38.82 3a4l h ASP 41 CO 0.01 0.04 0.37 -0.07 -1.57 0.00 0.00 179.24 178.01 3a4l h LEU 42 N 0.00 0.59 0.19 1.55 -0.00 -1.63 -1.35 115.31 114.67 3a4l h LEU 42 Ca -0.00 0.01 -0.35 0.00 -0.00 0.00 0.00 57.88 57.54 3a4l h LEU 42 Cb 0.18 -0.12 0.01 0.00 -0.00 0.00 0.00 40.66 40.73 3a4l h LEU 42 CO 0.01 0.41 -1.69 0.40 -0.00 0.00 0.00 178.44 177.56 3a4l h ILE 43 N 0.71 1.02 -0.94 1.22 1.08 -1.55 -3.31 117.51 115.75 3a4l h ILE 43 Ca 0.25 -2.57 0.03 0.00 -0.39 0.00 0.00 64.86 62.18 3a4l h ILE 43 Cb 0.05 2.82 -0.05 0.00 -3.07 0.00 0.00 36.82 36.56 3a4l h ILE 43 CO -0.12 0.85 0.61 -0.09 -0.69 0.00 0.00 178.15 178.71 3a4l h ARG 44 N 0.11 1.17 -0.06 2.37 2.43 -1.13 -1.85 114.38 117.42 3a4l h ARG 44 Ca -0.32 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 3a4l h ARG 44 Cb 2.11 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 31.40 3a4l h ARG 44 CO 0.20 0.77 0.00 0.39 -1.51 0.00 0.00 179.97 179.82 3a4l n GLU 45 N -4.48 1.46 0.03 0.20 1.02 -0.52 -2.88 120.64 115.47 3a4l n GLU 45 Ca 0.12 -0.68 0.13 0.00 -0.02 0.00 0.00 57.16 56.71 3a4l n GLU 45 Cb 0.08 -1.42 0.33 0.00 -0.02 0.00 0.00 31.44 30.41 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 -0.14 0.49 -4.86 1.62 7.64 -0.69 -4.78 113.62 112.90 3a4l n SER 46 Ca 0.18 0.15 -0.32 0.00 1.01 0.00 0.00 58.87 59.89 3a4l n SER 46 Cb 0.25 -0.09 -0.06 0.00 -1.01 0.00 0.00 64.21 63.30 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 -3.07 3.41 -0.55 1.43 0.40 -1.14 -4.99 117.98 113.47 3a4l s PHE 47 Ca 0.10 1.06 0.25 0.00 -0.60 0.00 0.00 56.93 57.74 3a4l s PHE 47 Cb 0.16 -2.41 0.58 0.00 0.51 0.00 0.00 43.02 41.86 3a4l s PHE 47 CO 0.65 0.19 1.69 -1.00 0.70 0.00 0.00 175.22 177.46 3a4l h PRO 48 N 2.48 0.00 -4.62 0.24 0.13 -1.88 -3.46 132.00 124.90 3a4l h PRO 48 Ca -0.47 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.41 3a4l h PRO 48 Cb 1.17 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.16 3a4l h PRO 48 CO 0.67 0.00 -0.64 0.14 -0.23 0.00 0.00 178.00 177.94 3a4l s VAL 49 N -3.18 0.30 -0.14 1.56 -7.23 -1.26 -5.16 120.40 105.30 3a4l s VAL 49 Ca 0.08 -1.96 -0.06 0.00 -1.81 0.00 0.00 61.98 58.24 3a4l s VAL 49 Cb 0.08 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 3a4l s VAL 49 CO 0.63 -0.33 0.06 0.86 -0.31 0.00 0.00 175.10 176.02 3a4l s TRP 50 N -3.92 3.31 0.01 2.82 -0.00 -1.26 -5.04 118.94 114.86 3a4l s TRP 50 Ca 0.28 0.22 0.01 0.00 -0.00 0.00 0.00 56.10 56.61 3a4l s TRP 50 Cb 0.07 -1.96 -0.01 0.00 -0.00 0.00 0.00 33.47 31.57 3a4l s TRP 50 CO 0.06 0.39 -0.03 0.15 -0.00 0.00 0.00 176.95 177.51 3a4l s LYS 51 N -0.33 0.26 0.50 5.86 1.02 -1.26 -5.04 119.74 120.76 3a4l s LYS 51 Ca 0.09 -0.34 0.21 0.00 0.02 0.00 0.00 55.97 55.95 3a4l s LYS 51 Cb -0.12 -0.10 1.30 0.00 -0.52 0.00 0.00 37.83 38.39 3a4l s LYS 51 CO 0.02 0.02 2.08 1.49 -0.92 0.00 0.00 175.35 178.03 3a4l h GLU 52 N 5.43 0.00 0.00 1.68 4.22 -1.99 -0.03 114.58 123.89 3a4l h GLU 52 Ca -0.29 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.15 3a4l h GLU 52 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3a4l h GLU 52 CO 0.46 0.11 0.00 0.36 -2.18 0.00 0.00 179.01 177.77 3a4l n LYS 53 N -4.07 0.13 0.20 1.92 2.85 -1.26 -2.22 118.16 115.71 3a4l n LYS 53 Ca -0.02 0.33 0.09 0.00 -1.05 0.00 0.00 58.31 57.66 3a4l n LYS 53 Cb 0.20 -1.73 0.23 0.00 -0.65 0.00 0.00 35.03 33.08 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 -0.32 5.58 0.05 -1.41 -3.38 116.97 117.49 3a4l h TYR 54 Ca 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 3a4l h TYR 54 Cb 0.37 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.09 3a4l h TYR 54 CO 0.00 0.19 0.00 0.93 -1.05 0.00 0.00 178.16 178.23 3a4l h GLU 55 N 0.00 0.49 -0.37 4.88 4.39 -1.58 -0.37 114.58 122.02 3a4l h GLU 55 Ca -0.00 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 3a4l h GLU 55 Cb 1.02 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.58 3a4l h GLU 55 CO 0.03 0.52 0.13 1.49 -1.16 0.00 0.00 179.01 180.01 3a4l h GLU 56 N 0.48 0.58 -0.74 2.33 4.81 -1.78 0.10 114.58 120.35 3a4l h GLU 56 Ca 0.10 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 3a4l h GLU 56 Cb 0.31 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 3a4l h GLU 56 CO 0.01 0.58 0.24 0.35 -0.73 0.00 0.00 179.01 179.46 3a4l h PHE 57 N 0.46 1.18 -0.17 0.92 3.57 -1.65 -1.33 116.94 119.92 3a4l h PHE 57 Ca 0.12 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3a4l h PHE 57 Cb 0.24 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 3a4l h PHE 57 CO 0.01 0.92 0.08 0.82 -2.23 0.00 0.00 178.31 177.91 3a4l h ILE 58 N 1.10 1.13 0.30 1.41 2.04 -0.73 -0.65 117.51 122.10 3a4l h ILE 58 Ca 0.24 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 3a4l h ILE 58 Cb 0.29 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3a4l h ILE 58 CO -0.01 0.12 -0.14 0.50 0.00 0.00 0.00 178.15 178.62 3a4l h LYS 59 N 0.15 -0.38 -0.81 2.37 3.64 -0.69 -1.83 116.57 119.02 3a4l h LYS 59 Ca 0.06 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3a4l h LYS 59 Cb 0.11 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 3a4l h LYS 59 CO -0.01 -0.18 0.46 0.87 -2.27 0.00 0.00 179.45 178.32 3a4l h LYS 60 N -0.51 1.12 -0.94 1.90 1.57 -1.25 -1.00 116.57 117.46 3a4l h LYS 60 Ca -0.04 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.62 3a4l h LYS 60 Cb 0.38 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 3a4l h LYS 60 CO 0.07 0.82 0.62 0.77 -0.57 0.00 0.00 179.45 181.16 3a4l h SER 61 N 1.12 1.09 -0.27 0.86 0.02 -1.05 0.52 113.55 115.84 3a4l h SER 61 Ca 0.29 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.15 3a4l h SER 61 Cb 0.01 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 3a4l h SER 61 CO -0.05 0.79 -0.04 0.74 -1.14 0.00 0.00 176.83 177.14 3a4l h THR 62 N 1.28 1.27 -0.75 -2.27 2.02 -0.76 -1.17 112.91 112.53 3a4l h THR 62 Ca 0.34 -1.01 -0.00 0.00 0.77 0.00 0.00 66.41 66.51 3a4l h THR 62 Cb -0.14 1.39 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 3a4l h THR 62 CO -0.07 0.32 0.46 1.88 0.37 0.00 0.00 175.52 178.48 3a4l h TYR 63 N 0.27 0.98 -0.82 3.16 0.05 -0.89 -1.32 116.97 118.41 3a4l h TYR 63 Ca 0.07 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 3a4l h TYR 63 Cb 0.49 -0.32 -0.04 0.00 1.01 0.00 0.00 36.73 37.87 3a4l h TYR 63 CO 0.04 0.65 0.42 0.00 -1.05 0.00 0.00 178.16 178.23 3a4l h ARG 64 N 1.03 1.16 -0.51 4.88 3.08 -0.67 -0.05 114.38 123.29 3a4l h ARG 64 Ca 0.27 -0.15 -0.12 0.00 0.07 0.00 0.00 59.98 60.05 3a4l h ARG 64 Cb -0.05 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.77 3a4l h ARG 64 CO -0.05 0.87 -0.14 -0.07 -1.07 0.00 0.00 179.97 179.51 3a4l h LEU 65 N 1.14 1.01 -0.15 3.04 3.38 -0.95 -1.74 115.31 121.05 3a4l h LEU 65 Ca 0.28 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3a4l h LEU 65 Cb 0.08 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3a4l h LEU 65 CO -0.04 1.15 0.05 0.40 0.09 0.00 0.00 178.44 180.09 3a4l h ILE 66 N 0.87 1.17 -0.17 1.22 2.04 -0.95 0.45 117.51 122.14 3a4l h ILE 66 Ca 0.13 -0.52 0.05 0.00 1.00 0.00 0.00 64.86 65.52 3a4l h ILE 66 Cb 0.71 1.23 -0.06 0.00 -0.74 0.00 0.00 36.82 37.97 3a4l h ILE 66 CO 0.05 0.16 -0.19 -0.78 0.00 0.00 0.00 178.15 177.39 3a4l h ASP 67 N 0.07 -0.59 -0.73 1.72 1.82 -0.93 1.00 116.42 118.78 3a4l h ASP 67 Ca 0.05 0.11 -0.03 0.00 -0.39 0.00 0.00 57.03 56.77 3a4l h ASP 67 Cb 0.20 0.28 -0.03 0.00 0.68 0.00 0.00 39.33 40.46 3a4l h ASP 67 CO -0.00 -0.23 0.35 -1.28 -1.61 0.00 0.00 179.24 176.46 3a4l h SER 68 N -0.22 0.95 -0.38 2.28 0.87 -1.25 -3.10 113.55 112.71 3a4l h SER 68 Ca 0.11 -0.13 -0.12 0.00 -1.23 0.00 0.00 61.79 60.42 3a4l h SER 68 Cb 0.39 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 3a4l h SER 68 CO -0.30 0.82 -0.25 0.00 -0.53 0.00 0.00 176.83 176.57 3a4l h ALA 69 N 1.17 0.54 0.00 6.23 0.00 -0.42 -3.07 119.26 123.71 3a4l h ALA 69 Ca 0.25 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3a4l h ALA 69 Cb 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3a4l h ALA 69 CO -0.03 0.53 0.00 -0.11 0.00 0.00 0.00 179.25 179.64 3a4l n LEU 70 N -4.21 0.62 0.25 0.00 7.94 0.30 -0.48 117.00 121.43 3a4l n LEU 70 Ca -0.02 0.70 0.12 0.00 -1.11 0.00 0.00 56.01 55.70 3a4l n LEU 70 Cb 0.46 -0.67 0.64 0.00 0.53 0.00 0.00 43.42 44.38 3a4l n LEU 70 CO 0.46 -0.70 0.92 0.11 -1.11 0.00 0.00 177.39 177.06 3a4l h LYS 71 N 0.00 0.00 0.00 1.96 1.57 -1.57 -3.37 116.57 115.16 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 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3a4l h LYS 71 CO 0.00 0.15 -0.62 0.09 -0.57 0.00 0.00 179.45 178.50 3a4l n ASN 72 N -3.50 3.12 -4.16 0.86 3.02 -0.51 -5.11 115.26 108.99 3a4l n ASN 72 Ca -0.01 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.38 3a4l n ASN 72 Cb 0.31 0.53 -0.11 0.00 -0.61 0.00 0.00 39.78 39.89 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 -1.36 1.10 0.59 3.10 2.02 0.36 -4.97 117.35 118.19 3a4l s TYR 73 Ca 0.00 -0.52 -0.20 0.00 -0.37 0.00 0.00 57.07 55.98 3a4l s TYR 73 Cb 0.00 -0.61 -0.04 0.00 -0.40 0.00 0.00 41.96 40.91 3a4l s TYR 73 CO 0.00 0.03 1.22 0.91 -1.57 0.00 0.00 175.55 176.13 3a4l n TRP 74 N 1.07 1.74 -4.42 2.71 7.02 0.04 -4.12 117.44 121.49 3a4l n TRP 74 Ca -0.20 0.43 -0.23 0.00 -1.02 0.00 0.00 57.50 56.49 3a4l n TRP 74 Cb 0.55 -2.27 -0.17 0.00 -2.42 0.00 0.00 31.31 27.01 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 -1.38 0.94 -0.30 -0.99 1.01 -0.99 -1.32 120.40 117.37 3a4l s VAL 75 Ca 0.76 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 62.27 3a4l s VAL 75 Cb -0.41 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 3a4l s VAL 75 CO 0.46 0.31 0.20 -0.63 0.00 0.00 0.00 175.10 175.44 3a4l s ILE 76 N 0.80 5.15 -0.51 2.22 1.01 0.26 -0.36 121.20 129.78 3a4l s ILE 76 Ca -0.12 -0.06 -0.23 0.00 0.00 0.00 0.00 60.65 60.23 3a4l s ILE 76 Cb -0.15 -3.54 0.04 0.00 0.01 0.00 0.00 42.46 38.82 3a4l s ILE 76 CO 0.02 0.14 0.82 -0.69 0.00 0.00 0.00 174.94 175.23 3a4l s VAL 77 N 1.72 4.58 -0.98 2.92 1.01 0.14 -0.73 120.40 129.05 3a4l s VAL 77 Ca 0.06 0.17 -0.14 0.00 0.00 0.00 0.00 61.98 62.08 3a4l s VAL 77 Cb -0.17 -4.42 0.21 0.00 0.00 0.00 0.00 36.38 32.01 3a4l s VAL 77 CO 0.10 -0.92 1.02 -0.62 0.00 0.00 0.00 175.10 174.68 3a4l s ASP 78 N 2.57 6.93 0.04 3.32 3.68 0.32 -2.04 116.67 131.49 3a4l s ASP 78 Ca 0.27 -2.84 -0.22 0.00 2.13 0.00 0.00 52.55 51.89 3a4l s ASP 78 Cb -0.14 -2.28 0.05 0.00 -1.45 0.00 0.00 42.92 39.11 3a4l s ASP 78 CO 0.19 -0.62 0.52 -1.81 0.13 0.00 0.00 175.17 173.57 3a4l s ASP 79 N 2.34 -0.44 0.20 -0.34 1.01 -1.26 -4.33 116.67 113.85 3a4l s ASP 79 Ca 0.28 0.20 -0.11 0.00 0.71 0.00 0.00 52.55 53.62 3a4l s ASP 79 Cb -0.08 0.49 0.14 0.00 1.01 0.00 0.00 42.92 44.47 3a4l s ASP 79 CO -0.08 -0.70 1.87 0.74 0.21 0.00 0.00 175.17 177.21 3a4l h THR 80 N 2.83 1.17 -6.24 -1.27 2.02 -1.85 -3.36 112.91 106.20 3a4l h THR 80 Ca -0.31 -0.32 -0.44 0.00 0.77 0.00 0.00 66.41 66.11 3a4l h THR 80 Cb 1.21 0.15 0.05 0.00 -1.74 0.00 0.00 68.15 67.82 3a4l h THR 80 CO 0.41 0.17 -0.90 0.59 0.37 0.00 0.00 175.52 176.16 3a4l n ASN 81 N -4.60 -3.16 0.18 4.18 3.02 -1.26 -2.22 115.26 111.39 3a4l n ASN 81 Ca 0.06 -0.96 0.03 0.00 -0.03 0.00 0.00 54.58 53.67 3a4l n ASN 81 Cb 0.02 -3.49 0.34 0.00 -0.61 0.00 0.00 39.78 36.04 3a4l n ASN 81 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3a4l h TYR 82 N -1.84 0.00 -3.46 3.10 3.20 -1.91 -3.44 116.97 112.61 3a4l h TYR 82 Ca -0.64 0.00 -0.67 0.00 3.14 0.00 0.00 58.73 60.56 3a4l h TYR 82 Cb 1.36 0.00 -0.15 0.00 1.54 0.00 0.00 36.73 39.48 3a4l h TYR 82 CO 0.40 0.41 -0.67 0.71 -1.64 0.00 0.00 178.16 177.37 3a4l s TYR 83 N -4.01 3.01 0.55 -3.82 2.02 -1.26 -4.68 117.35 109.17 3a4l s TYR 83 Ca -0.02 0.04 0.24 0.00 -0.37 0.00 0.00 57.07 56.96 3a4l s TYR 83 Cb 0.14 -1.66 1.58 0.00 -0.40 0.00 0.00 41.96 41.62 3a4l s TYR 83 CO 0.72 0.42 2.20 -2.95 -1.57 0.00 0.00 175.55 174.38 3a4l h ASN 84 N 4.51 0.00 0.07 2.29 7.08 -1.91 -1.63 115.58 125.99 3a4l h ASN 84 Ca -0.49 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 52.71 3a4l h ASN 84 Cb 1.17 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.41 3a4l h ASN 84 CO 0.56 0.01 -0.09 0.77 -2.08 0.00 0.00 177.43 176.60 3a4l h SER 85 N 0.00 0.05 -0.05 6.14 4.64 -1.96 0.50 113.55 122.87 3a4l h SER 85 Ca -0.00 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.11 3a4l h SER 85 Cb 0.02 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.11 3a4l h SER 85 CO 0.00 0.15 -0.76 0.24 -0.87 0.00 0.00 176.83 175.59 3a4l h MET 86 N 0.06 0.60 -0.09 4.77 2.86 -1.66 -2.14 114.93 119.33 3a4l h MET 86 Ca 0.01 -0.58 -0.07 0.00 -2.06 0.00 0.00 59.70 57.00 3a4l h MET 86 Cb 0.19 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 3a4l h MET 86 CO 0.01 1.20 -0.26 0.00 1.06 0.00 0.00 176.91 178.92 3a4l h ARG 87 N 0.22 0.16 -0.33 1.72 3.08 -1.40 -2.09 114.38 115.74 3a4l h ARG 87 Ca -0.08 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.86 3a4l h ARG 87 Cb 1.43 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.45 3a4l h ARG 87 CO 0.15 0.42 -0.02 -0.09 -1.07 0.00 0.00 179.97 179.36 3a4l h ARG 88 N 0.14 0.59 -0.91 0.04 2.43 -0.81 -1.47 114.38 114.39 3a4l h ARG 88 Ca 0.02 -0.20 0.05 0.00 -0.81 0.00 0.00 59.98 59.04 3a4l h ARG 88 Cb 0.55 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.00 3a4l h ARG 88 CO 0.04 0.73 0.59 -0.44 -1.51 0.00 0.00 179.97 179.38 3a4l h ASP 89 N 0.38 0.95 -0.08 -3.80 3.32 -0.91 -0.71 116.42 115.58 3a4l h ASP 89 Ca 0.09 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 3a4l h ASP 89 Cb 0.48 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3a4l h ASP 89 CO 0.02 0.63 -0.18 -0.07 -1.72 0.00 0.00 179.24 177.92 3a4l h LEU 90 N 1.09 0.30 -1.53 1.55 3.38 -1.27 -3.01 115.31 115.82 3a4l h LEU 90 Ca 0.37 -0.58 0.06 0.00 0.09 0.00 0.00 57.88 57.83 3a4l h LEU 90 Cb 0.10 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3a4l h LEU 90 CO -0.13 0.82 0.39 0.40 0.09 0.00 0.00 178.44 180.02 3a4l h ILE 91 N -0.21 1.00 0.00 1.22 2.04 -0.95 0.23 117.51 120.84 3a4l h ILE 91 Ca 0.00 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 3a4l h ILE 91 Cb 0.78 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3a4l h ILE 91 CO 0.04 0.11 -0.08 0.78 0.00 0.00 0.00 178.15 179.00 3a4l h ASN 92 N 0.58 0.00 -0.17 1.72 2.35 -1.07 0.52 115.58 119.51 3a4l h ASN 92 Ca 0.25 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.84 3a4l h ASN 92 Cb 0.27 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.64 3a4l h ASN 92 CO -0.07 0.08 -0.55 0.40 -1.65 0.00 0.00 177.43 175.63 3a4l h ILE 93 N 0.00 1.32 -0.60 2.81 2.04 -0.82 -2.09 117.51 120.17 3a4l h ILE 93 Ca -0.00 -1.79 -0.05 0.00 1.00 0.00 0.00 64.86 64.02 3a4l h ILE 93 Cb 0.41 1.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.42 3a4l h ILE 93 CO 0.01 0.56 0.19 0.00 0.00 0.00 0.00 178.15 178.91 3a4l h ALA 94 N 0.56 0.79 -0.87 1.87 0.00 -1.10 -2.80 119.26 117.71 3a4l h ALA 94 Ca -0.02 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.74 3a4l h ALA 94 Cb 1.17 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 3a4l h ALA 94 CO 0.12 0.45 0.57 -0.22 0.00 0.00 0.00 179.25 180.17 3a4l h LYS 95 N 0.85 1.02 -0.85 0.00 3.64 -0.90 -0.28 116.57 120.05 3a4l h LYS 95 Ca 0.19 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3a4l h LYS 95 Cb 0.28 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 3a4l h LYS 95 CO -0.01 0.68 0.56 -0.22 -2.27 0.00 0.00 179.45 178.19 3a4l h LYS 96 N 1.06 1.10 -0.51 1.90 3.64 -1.10 -2.67 116.57 120.00 3a4l h LYS 96 Ca 0.36 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3a4l h LYS 96 Cb 0.08 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 3a4l h LYS 96 CO -0.11 0.73 0.00 0.66 -2.27 0.00 0.00 179.45 178.46 3a4l n TYR 97 N -4.41 0.92 -3.83 1.91 4.01 -0.89 -4.97 117.16 109.90 3a4l n TYR 97 Ca 0.10 -0.58 -0.25 0.00 -0.16 0.00 0.00 57.90 57.01 3a4l n TYR 97 Cb 0.04 -0.12 0.02 0.00 -0.31 0.00 0.00 39.34 38.97 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 0.81 -1.86 -4.80 7.72 4.05 -0.32 -4.99 115.26 115.88 3a4l n ASN 98 Ca 0.20 -0.86 -0.32 0.00 0.45 0.00 0.00 54.58 54.04 3a4l n ASN 98 Cb 0.66 -3.74 -0.06 0.00 1.23 0.00 0.00 39.78 37.86 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 -6.29 3.08 0.86 1.20 -0.14 -0.27 -4.86 119.74 113.32 3a4l s LYS 99 Ca 0.18 -0.52 -0.12 0.00 -1.36 0.00 0.00 55.97 54.16 3a4l s LYS 99 Cb -0.09 -2.86 0.11 0.00 -1.68 0.00 0.00 37.83 33.31 3a4l s LYS 99 CO 0.84 0.63 1.10 1.21 -0.76 0.00 0.00 175.35 178.36 3a4l s ASN 100 N -1.96 3.88 0.06 2.83 3.84 -1.25 -4.52 114.94 117.81 3a4l s ASN 100 Ca 0.26 1.35 -0.07 0.00 0.21 0.00 0.00 52.86 54.60 3a4l s ASN 100 Cb -0.12 -2.04 -0.01 0.00 -0.55 0.00 0.00 41.25 38.53 3a4l s ASN 100 CO 0.17 -2.36 0.13 -0.72 -2.79 0.00 0.00 177.10 171.53 3a4l s TYR 101 N -3.06 0.20 -0.06 0.43 1.13 -1.26 -1.74 117.35 112.99 3a4l s TYR 101 Ca 0.62 -0.57 -0.02 0.00 -1.41 0.00 0.00 57.07 55.69 3a4l s TYR 101 Cb -0.16 -0.13 0.04 0.00 -1.10 0.00 0.00 41.96 40.61 3a4l s TYR 101 CO 0.55 -0.45 0.12 0.00 -2.51 0.00 0.00 175.55 173.27 3a4l s ALA 102 N -3.26 -0.12 -0.11 9.51 0.00 -0.10 -4.94 121.76 122.74 3a4l s ALA 102 Ca 0.00 0.53 -0.21 0.00 0.00 0.00 0.00 51.96 52.29 3a4l s ALA 102 Cb 0.02 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 3a4l s ALA 102 CO -0.08 -0.27 0.59 0.42 0.00 0.00 0.00 175.76 176.42 3a4l s ILE 103 N 1.51 5.11 -0.23 0.00 1.01 -1.26 -0.50 121.20 126.83 3a4l s ILE 103 Ca -0.05 1.19 0.00 0.00 0.00 0.00 0.00 60.65 61.80 3a4l s ILE 103 Cb -0.12 -3.93 0.03 0.00 0.01 0.00 0.00 42.46 38.45 3a4l s ILE 103 CO -0.05 0.26 -0.11 -0.63 0.00 0.00 0.00 174.94 174.41 3a4l s ILE 104 N 0.88 2.47 -0.31 2.92 1.01 0.03 0.01 121.20 128.21 3a4l s ILE 104 Ca 0.31 -1.17 -0.11 0.00 0.00 0.00 0.00 60.65 59.68 3a4l s ILE 104 Cb -0.16 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 3a4l s ILE 104 CO 0.14 0.23 0.20 -0.47 0.00 0.00 0.00 174.94 175.03 3a4l s TYR 105 N 1.25 3.21 -0.18 3.97 5.04 -0.52 -1.83 117.35 128.29 3a4l s TYR 105 Ca -0.01 -0.15 -0.14 0.00 -2.44 0.00 0.00 57.07 54.33 3a4l s TYR 105 Cb -0.17 -2.41 -0.05 0.00 0.35 0.00 0.00 41.96 39.69 3a4l s TYR 105 CO -0.07 -0.30 0.30 -0.51 -1.34 0.00 0.00 175.55 173.63 3a4l s LEU 106 N 1.71 4.20 0.17 6.97 1.02 -0.40 -0.95 118.68 131.40 3a4l s LEU 106 Ca 0.06 0.44 0.10 0.00 0.02 0.00 0.00 54.13 54.75 3a4l s LEU 106 Cb -0.17 -2.36 -0.04 0.00 0.02 0.00 0.00 46.19 43.64 3a4l s LEU 106 CO 0.10 0.05 -0.21 -0.54 0.02 0.00 0.00 176.35 175.77 3a4l s LYS 107 N 0.77 1.36 0.08 1.70 1.02 0.26 -4.47 119.74 120.45 3a4l s LYS 107 Ca 0.16 -1.43 -0.26 0.00 0.02 0.00 0.00 55.97 54.46 3a4l s LYS 107 Cb -0.13 -1.56 0.08 0.00 -0.52 0.00 0.00 37.83 35.70 3a4l s LYS 107 CO 0.05 0.33 0.67 0.00 -0.92 0.00 0.00 175.35 175.48 3a4l s ALA 108 N -1.78 -1.68 0.76 5.17 0.00 -1.26 -1.45 121.76 121.52 3a4l s ALA 108 Ca 0.17 0.79 -0.12 0.00 0.00 0.00 0.00 51.96 52.80 3a4l s ALA 108 Cb -0.07 0.56 0.06 0.00 0.00 0.00 0.00 23.12 23.67 3a4l s ALA 108 CO 0.08 -0.65 1.12 -1.54 0.00 0.00 0.00 175.76 174.77 3a4l s SER 109 N -2.29 4.31 0.25 0.00 1.04 -1.26 -4.79 113.70 110.96 3a4l s SER 109 Ca -0.01 2.01 -0.03 0.00 0.48 0.00 0.00 55.95 58.40 3a4l s SER 109 Cb -0.01 -2.55 0.44 0.00 0.10 0.00 0.00 66.02 64.01 3a4l s SER 109 CO -0.07 -2.17 1.81 0.25 0.98 0.00 0.00 173.24 174.04 3a4l h LEU 110 N -0.86 0.70 -1.11 2.42 5.85 -2.00 -1.34 115.31 118.97 3a4l h LEU 110 Ca -0.45 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 3a4l h LEU 110 Cb 1.25 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 3a4l h LEU 110 CO 0.50 0.38 0.44 -0.78 -0.34 0.00 0.00 178.44 178.64 3a4l h ASP 111 N 0.80 0.93 -0.31 1.25 3.58 -2.00 -0.54 116.42 120.14 3a4l h ASP 111 Ca 0.42 -0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.75 3a4l h ASP 111 Cb 0.42 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 3a4l h ASP 111 CO -0.27 0.74 -0.02 0.58 -2.88 0.00 0.00 179.24 177.39 3a4l h VAL 112 N 1.06 1.26 -0.73 2.25 2.07 -1.68 -2.08 116.25 118.40 3a4l h VAL 112 Ca 0.27 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 3a4l h VAL 112 Cb -0.00 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3a4l h VAL 112 CO -0.05 0.32 0.41 -0.07 0.02 0.00 0.00 177.57 178.20 3a4l h LEU 113 N 0.34 0.91 0.11 2.57 3.38 -0.79 -0.22 115.31 121.61 3a4l h LEU 113 Ca 0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3a4l h LEU 113 Cb 0.47 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3a4l h LEU 113 CO 0.02 0.74 -0.05 0.40 0.09 0.00 0.00 178.44 179.64 3a4l h ILE 114 N 1.01 0.92 -0.70 1.22 1.08 -1.07 0.05 117.51 120.02 3a4l h ILE 114 Ca 0.26 -0.10 -0.02 0.00 -0.39 0.00 0.00 64.86 64.61 3a4l h ILE 114 Cb 0.03 0.99 -0.03 0.00 -3.07 0.00 0.00 36.82 34.73 3a4l h ILE 114 CO -0.04 0.02 0.38 0.03 -0.69 0.00 0.00 178.15 177.85 3a4l h ARG 115 N -0.19 0.98 -0.55 2.37 3.08 -1.19 0.18 114.38 119.05 3a4l h ARG 115 Ca -0.01 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.85 3a4l h ARG 115 Cb 0.15 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3a4l h ARG 115 CO 0.02 0.72 0.04 0.00 -1.07 0.00 0.00 179.97 179.68 3a4l h ARG 116 N 0.98 0.92 -0.38 0.04 3.08 -0.86 -2.00 114.38 116.16 3a4l h ARG 116 Ca 0.25 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3a4l h ARG 116 Cb 0.04 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3a4l h ARG 116 CO -0.04 0.89 0.08 -0.97 -1.07 0.00 0.00 179.97 178.86 3a4l h ASN 117 N 0.86 0.58 -0.70 7.04 -1.24 0.47 -2.18 115.58 120.41 3a4l h ASN 117 Ca 0.17 -0.24 0.07 0.00 0.71 0.00 0.00 56.30 57.00 3a4l h ASN 117 Cb 0.46 -0.15 -0.06 0.00 0.73 0.00 0.00 38.32 39.29 3a4l h ASN 117 CO 0.02 0.67 0.39 0.40 -1.29 0.00 0.00 177.43 177.62 3a4l h ILE 118 N 0.47 0.95 0.00 2.57 2.04 -0.61 0.75 117.51 123.68 3a4l h ILE 118 Ca 0.12 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 3a4l h ILE 118 Cb 0.32 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3a4l h ILE 118 CO 0.00 0.13 -0.08 -0.33 0.00 0.00 0.00 178.15 177.87 3a4l h GLU 119 N 0.70 0.00 -0.52 2.37 5.08 -0.96 -2.68 114.58 118.58 3a4l h GLU 119 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3a4l h GLU 119 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3a4l h GLU 119 CO -0.20 0.08 0.00 2.89 -1.00 0.00 0.00 179.01 180.78 3a4l n ARG 120 N -3.21 2.24 -0.74 2.33 1.85 -0.86 -4.90 116.66 113.38 3a4l n ARG 120 Ca 0.00 -1.93 0.00 0.00 -1.00 0.00 0.00 57.85 54.92 3a4l n ARG 120 Cb 0.35 -1.43 0.00 0.00 -1.05 0.00 0.00 32.46 30.34 3a4l n ARG 120 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3a4l n GLY 121 N 1.36 1.34 3.62 2.89 0.00 -1.01 -4.54 105.19 108.85 3a4l n GLY 121 Ca 0.18 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.83 -0.90 0.06 1.61 2.13 0.20 -4.84 120.64 118.08 3a4l n GLU 122 Ca 0.00 -0.31 -0.13 0.00 0.66 0.00 0.00 57.16 57.38 3a4l n GLU 122 Cb 0.18 -0.01 -0.09 0.00 0.27 0.00 0.00 31.44 31.78 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 1.53 -0.17 -6.66 5.31 1.57 -1.80 -3.39 116.57 112.96 3a4l h LYS 123 Ca -0.16 0.01 -0.51 0.00 -1.87 0.00 0.00 60.65 58.13 3a4l h LYS 123 Cb 0.31 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 3a4l h LYS 123 CO 0.12 0.20 0.25 0.42 -0.57 0.00 0.00 179.45 179.88 3a4l s ILE 124 N -4.51 4.26 0.42 1.86 1.01 -1.26 -4.94 121.20 118.04 3a4l s ILE 124 Ca -0.15 1.81 -0.25 0.00 0.00 0.00 0.00 60.65 62.06 3a4l s ILE 124 Cb 0.02 -4.16 -0.08 0.00 0.01 0.00 0.00 42.46 38.25 3a4l s ILE 124 CO 0.61 0.43 1.28 -2.84 0.00 0.00 0.00 174.94 174.42 3a4l s PRO 125 N -1.36 3.91 0.20 2.79 0.02 -1.26 -4.92 135.00 134.38 3a4l s PRO 125 Ca 0.40 2.09 -0.10 0.00 0.02 0.00 0.00 61.00 63.42 3a4l s PRO 125 Cb -0.23 -2.69 0.23 0.00 0.02 0.00 0.00 34.50 31.82 3a4l s PRO 125 CO 0.27 -0.52 1.80 -0.91 -0.33 0.00 0.00 177.00 177.31 3a4l h ASN 126 N 2.56 0.48 -0.46 2.53 2.35 -1.96 -1.61 115.58 119.46 3a4l h ASN 126 Ca -0.50 0.04 0.07 0.00 -0.55 0.00 0.00 56.30 55.36 3a4l h ASN 126 Cb 1.25 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 39.54 3a4l h ASN 126 CO 0.62 0.31 0.31 -0.33 -1.65 0.00 0.00 177.43 176.69 3a4l h GLU 127 N 0.61 0.32 -0.05 0.81 4.39 -1.99 -1.05 114.58 117.63 3a4l h GLU 127 Ca 0.29 -0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.79 3a4l h GLU 127 Cb 0.20 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3a4l h GLU 127 CO -0.19 0.21 -0.74 0.28 -1.16 0.00 0.00 179.01 177.42 3a4l h VAL 128 N 0.33 1.42 -0.28 3.13 2.07 -1.67 -2.08 116.25 119.17 3a4l h VAL 128 Ca 0.21 -2.25 -0.17 0.00 0.82 0.00 0.00 66.70 65.32 3a4l h VAL 128 Cb 0.39 2.19 -0.00 0.00 -1.52 0.00 0.00 31.29 32.35 3a4l h VAL 128 CO -0.05 0.66 -0.49 0.40 0.02 0.00 0.00 177.57 178.12 3a4l h ILE 129 N 0.18 1.29 -0.38 4.57 2.04 -0.99 -1.37 117.51 122.85 3a4l h ILE 129 Ca -0.03 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.15 3a4l h ILE 129 Cb 1.30 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.95 3a4l h ILE 129 CO 0.12 0.54 0.24 0.50 0.00 0.00 0.00 178.15 179.55 3a4l h LYS 130 N 0.61 0.51 -0.41 2.37 1.63 -1.10 0.11 116.57 120.28 3a4l h LYS 130 Ca 0.03 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 3a4l h LYS 130 Cb 1.06 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.56 3a4l h LYS 130 CO 0.10 0.36 0.17 0.87 -3.45 0.00 0.00 179.45 177.50 3a4l h LYS 131 N 0.51 0.62 -0.80 1.90 1.79 -1.25 -1.76 116.57 117.58 3a4l h LYS 131 Ca 0.14 -0.11 0.06 0.00 -2.18 0.00 0.00 60.65 58.56 3a4l h LYS 131 Cb -0.03 -0.10 -0.06 0.00 -1.58 0.00 0.00 32.23 30.46 3a4l h LYS 131 CO -0.03 0.57 0.49 0.52 -1.08 0.00 0.00 179.45 179.92 3a4l h MET 132 N 0.52 0.88 -0.14 3.15 2.86 -0.99 -0.78 114.93 120.44 3a4l h MET 132 Ca 0.14 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3a4l h MET 132 Cb 0.18 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 3a4l h MET 132 CO -0.01 0.58 0.09 -0.92 1.06 0.00 0.00 176.91 177.71 3a4l h TYR 133 N 0.90 0.18 -0.83 -0.22 3.20 -0.75 0.21 116.97 119.66 3a4l h TYR 133 Ca 0.35 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.22 3a4l h TYR 133 Cb 0.15 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 3a4l h TYR 133 CO -0.04 0.13 0.51 0.93 -1.64 0.00 0.00 178.16 178.04 3a4l h GLU 134 N 0.17 1.13 0.00 1.82 5.08 -0.83 -3.16 114.58 118.79 3a4l h GLU 134 Ca 0.05 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3a4l h GLU 134 Cb -0.00 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.01 3a4l h GLU 134 CO -0.01 0.79 -0.63 1.63 -1.00 0.00 0.00 179.01 179.78 3a4l n LYS 135 N -4.37 0.20 -1.88 2.33 4.01 -0.34 -4.94 118.16 113.16 3a4l n LYS 135 Ca 0.09 0.05 -0.42 0.00 -0.51 0.00 0.00 58.31 57.52 3a4l n LYS 135 Cb 0.06 -1.61 -0.03 0.00 -0.51 0.00 0.00 35.03 32.94 3a4l n LYS 135 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 3a4l s PHE 136 N -3.12 2.18 -0.49 2.13 5.36 0.04 -4.96 117.98 119.12 3a4l s PHE 136 Ca 0.07 0.16 -0.23 0.00 -0.96 0.00 0.00 56.93 55.97 3a4l s PHE 136 Cb 0.15 -4.02 0.03 0.00 -0.34 0.00 0.00 43.02 38.84 3a4l s PHE 136 CO 0.72 -4.20 0.84 -0.51 -1.46 0.00 0.00 175.22 170.61 3a4l s ASP 137 N 2.83 6.38 0.53 6.13 -0.00 -1.26 -5.04 116.67 126.25 3a4l s ASP 137 Ca 0.76 -0.22 -0.22 0.00 -0.00 0.00 0.00 52.55 52.87 3a4l s ASP 137 Cb -0.40 -2.40 -0.06 0.00 -0.00 0.00 0.00 42.92 40.06 3a4l s ASP 137 CO 0.33 -1.03 1.33 -0.62 -0.00 0.00 0.00 175.17 175.18 3a4l n GLU 138 N 6.97 1.70 -1.84 8.23 1.02 -1.26 -4.90 120.64 130.55 3a4l n GLU 138 Ca 0.02 0.62 -0.38 0.00 -0.02 0.00 0.00 57.16 57.40 3a4l n GLU 138 Cb 0.48 -2.53 0.04 0.00 -0.02 0.00 0.00 31.44 29.41 3a4l n GLU 138 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3a4l s PRO 139 N -2.77 3.07 0.00 3.49 0.02 -1.26 -3.01 135.00 134.54 3a4l s PRO 139 Ca 0.70 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.84 3a4l s PRO 139 Cb -0.43 -2.16 0.00 0.00 0.02 0.00 0.00 34.50 31.93 3a4l s PRO 139 CO 0.51 -1.21 0.00 0.41 -0.33 0.00 0.00 177.00 176.38 3a4l n GLY 140 N 0.71 1.13 0.00 0.52 0.00 -0.66 -4.64 105.19 102.25 3a4l n GLY 140 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 3a4l n GLY 140 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3a4l n LYS 141 N -2.00 0.46 0.07 1.61 2.85 -1.16 -4.32 118.16 115.67 3a4l n LYS 141 Ca 0.00 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 3a4l n LYS 141 Cb 0.00 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.88 3a4l n LYS 141 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3a4l n LYS 142 N -1.24 0.00 -4.56 -1.58 3.00 -1.26 -5.10 118.16 107.42 3a4l n LYS 142 Ca 0.14 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.13 3a4l n LYS 142 Cb 0.19 -0.21 -0.11 0.00 0.00 0.00 0.00 35.03 34.90 3a4l n LYS 142 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 3a4l s TYR 143 N -2.00 2.84 0.34 5.64 2.02 -1.26 -5.02 117.35 119.90 3a4l s TYR 143 Ca 0.00 -0.07 0.11 0.00 -0.37 0.00 0.00 57.07 56.74 3a4l s TYR 143 Cb 0.00 -1.61 0.59 0.00 -0.40 0.00 0.00 41.96 40.54 3a4l s TYR 143 CO 0.00 0.33 1.76 -0.22 -1.57 0.00 0.00 175.55 175.85 3a4l h LYS 144 N 4.73 0.05 0.00 -0.62 3.64 -1.99 -2.19 116.57 120.19 3a4l h LYS 144 Ca -0.48 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3a4l h LYS 144 Cb 1.17 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3a4l h LYS 144 CO 0.52 0.47 0.00 -2.67 -2.27 0.00 0.00 179.45 175.50 3a4l n TRP 145 N -4.02 0.49 0.26 1.91 4.27 -1.26 -2.54 117.44 116.55 3a4l n TRP 145 Ca -0.02 0.20 0.11 0.00 -3.89 0.00 0.00 57.50 53.90 3a4l n TRP 145 Cb 0.46 -0.82 0.20 0.00 -1.36 0.00 0.00 31.31 29.80 3a4l n TRP 145 CO 0.00 0.00 0.00 -3.47 -2.29 0.00 0.00 177.69 171.93 3a4l n ASP 146 N -1.95 3.37 -4.73 -0.67 2.03 -0.82 -4.95 116.55 108.83 3a4l n ASP 146 Ca 0.02 -1.96 -0.42 0.00 0.52 0.00 0.00 54.79 52.95 3a4l n ASP 146 Cb 0.19 -0.24 -0.03 0.00 -0.72 0.00 0.00 41.12 40.32 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 -1.41 4.41 0.35 -0.67 0.41 -1.05 -1.65 118.70 119.09 3a4l s GLU 147 Ca 0.37 1.95 -0.28 0.00 -0.41 0.00 0.00 54.97 56.60 3a4l s GLU 147 Cb 0.21 -3.25 -0.10 0.00 -1.78 0.00 0.00 34.13 29.21 3a4l s GLU 147 CO 0.30 -0.25 1.36 -2.14 -0.49 0.00 0.00 175.26 174.04 3a4l s PRO 148 N 0.34 4.26 0.13 0.39 0.02 -1.26 -4.63 135.00 134.25 3a4l s PRO 148 Ca 0.58 2.32 -0.08 0.00 0.02 0.00 0.00 61.00 63.83 3a4l s PRO 148 Cb -0.34 -3.03 -0.07 0.00 0.02 0.00 0.00 34.50 31.08 3a4l s PRO 148 CO 0.34 -0.30 1.36 0.35 -0.33 0.00 0.00 177.00 178.42 3a4l h PHE 149 N 3.23 0.89 -3.92 6.54 3.57 -0.77 -3.45 116.94 123.04 3a4l h PHE 149 Ca -0.50 -0.39 -0.29 0.00 3.53 0.00 0.00 57.97 60.32 3a4l h PHE 149 Cb 1.23 -0.14 -0.25 0.00 2.79 0.00 0.00 35.95 39.58 3a4l h PHE 149 CO 0.55 1.19 -0.74 -0.51 -2.23 0.00 0.00 178.31 176.57 3a4l s LEU 150 N -8.28 2.11 -0.14 0.59 2.01 -1.17 -5.05 118.68 108.75 3a4l s LEU 150 Ca -0.09 -0.27 0.02 0.00 0.01 0.00 0.00 54.13 53.80 3a4l s LEU 150 Cb 0.09 -0.20 0.00 0.00 0.01 0.00 0.00 46.19 46.10 3a4l s LEU 150 CO 0.88 -0.05 -0.19 -0.63 1.01 0.00 0.00 176.35 177.37 3a4l s ILE 151 N -0.63 2.30 -0.13 -0.59 1.01 -1.26 -1.44 121.20 120.46 3a4l s ILE 151 Ca -0.03 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.73 3a4l s ILE 151 Cb -0.05 -1.94 0.02 0.00 0.01 0.00 0.00 42.46 40.50 3a4l s ILE 151 CO -0.00 0.54 -0.16 -0.63 0.00 0.00 0.00 174.94 174.68 3a4l s ILE 152 N 0.80 1.65 -0.47 2.92 1.01 -0.12 -4.98 121.20 122.00 3a4l s ILE 152 Ca -0.07 -0.71 -0.26 0.00 0.00 0.00 0.00 60.65 59.61 3a4l s ILE 152 Cb -0.16 -1.51 0.03 0.00 0.01 0.00 0.00 42.46 40.84 3a4l s ILE 152 CO -0.01 0.47 0.97 -0.62 0.00 0.00 0.00 174.94 175.75 3a4l s ASP 153 N 1.17 6.52 0.00 3.58 -1.08 -1.26 -0.58 116.67 125.02 3a4l s ASP 153 Ca -0.02 0.18 0.13 0.00 -0.52 0.00 0.00 52.55 52.32 3a4l s ASP 153 Cb -0.14 -2.47 0.68 0.00 -1.46 0.00 0.00 42.92 39.53 3a4l s ASP 153 CO -0.06 -1.10 1.45 0.35 0.52 0.00 0.00 175.17 176.34 3a4l n THR 154 N 6.51 0.05 1.07 1.71 -2.24 -0.53 -1.81 114.28 119.04 3a4l n THR 154 Ca 0.07 -0.07 0.12 0.00 -2.27 0.00 0.00 64.05 61.91 3a4l n THR 154 Cb 0.49 -0.10 0.13 0.00 -2.10 0.00 0.00 70.33 68.75 3a4l n THR 154 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3a4l n THR 155 N -0.50 0.00 -4.20 4.28 -2.24 -1.26 -4.95 114.28 105.41 3a4l n THR 155 Ca 0.10 -0.38 -0.24 0.00 -2.27 0.00 0.00 64.05 61.26 3a4l n THR 155 Cb 0.09 1.26 -0.07 0.00 -2.10 0.00 0.00 70.33 69.51 3a4l n THR 155 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3a4l s LYS 156 N -2.16 2.26 0.25 -0.78 1.02 -0.75 -5.08 119.74 114.50 3a4l s LYS 156 Ca 0.26 -1.61 -0.31 0.00 0.02 0.00 0.00 55.97 54.33 3a4l s LYS 156 Cb 0.20 -2.09 -0.13 0.00 -0.52 0.00 0.00 37.83 35.29 3a4l s LYS 156 CO 0.39 0.14 1.51 -3.47 -0.92 0.00 0.00 175.35 173.00 3a4l n ASP 157 N -1.06 3.28 -4.31 2.83 4.64 -1.26 -4.94 116.55 115.72 3a4l n ASP 157 Ca -0.04 1.13 -0.33 0.00 -1.38 0.00 0.00 54.79 54.17 3a4l n ASP 157 Cb 0.61 -1.50 -0.15 0.00 -1.04 0.00 0.00 41.12 39.05 3a4l n ASP 157 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 3a4l s ILE 158 N 0.11 2.95 -0.91 5.18 -5.25 -1.26 -5.02 121.20 117.01 3a4l s ILE 158 Ca 0.68 -0.67 -0.18 0.00 -0.99 0.00 0.00 60.65 59.48 3a4l s ILE 158 Cb -0.58 -2.26 0.14 0.00 2.95 0.00 0.00 42.46 42.70 3a4l s ILE 158 CO 0.47 0.50 1.08 -0.62 -1.79 0.00 0.00 174.94 174.59 3a4l s ASP 159 N 0.76 6.62 0.41 4.36 -1.08 -1.26 -4.89 116.67 121.59 3a4l s ASP 159 Ca -0.05 -2.06 0.12 0.00 -0.52 0.00 0.00 52.55 50.04 3a4l s ASP 159 Cb -0.15 -2.38 0.88 0.00 -1.46 0.00 0.00 42.92 39.80 3a4l s ASP 159 CO 0.01 -1.03 1.94 -0.26 0.52 0.00 0.00 175.17 176.35 3a4l h PHE 160 N 8.77 0.11 -0.41 -5.34 0.04 -1.98 -1.42 116.94 116.71 3a4l h PHE 160 Ca 0.13 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.85 3a4l h PHE 160 Cb 1.03 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 39.13 3a4l h PHE 160 CO 1.14 0.28 0.12 -0.91 -0.60 0.00 0.00 178.31 178.35 3a4l h ASN 161 N 0.10 0.61 -0.17 2.17 4.21 -1.99 0.91 115.58 121.43 3a4l h ASN 161 Ca 0.02 -0.21 -0.00 0.00 1.21 0.00 0.00 56.30 57.31 3a4l h ASN 161 Cb 0.37 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.41 3a4l h ASN 161 CO 0.02 0.66 0.09 -0.08 -1.29 0.00 0.00 177.43 176.83 3a4l h GLU 162 N 0.53 0.23 -0.25 0.81 4.81 -1.84 0.48 114.58 119.35 3a4l h GLU 162 Ca 0.13 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.37 3a4l h GLU 162 Cb 0.27 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 3a4l h GLU 162 CO -0.00 0.26 0.03 0.82 -0.73 0.00 0.00 179.01 179.38 3a4l h ILE 163 N 0.15 0.86 -0.22 2.32 2.04 -1.18 -0.44 117.51 121.04 3a4l h ILE 163 Ca 0.06 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 65.93 3a4l h ILE 163 Cb 0.09 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 3a4l h ILE 163 CO -0.01 0.02 -0.08 0.00 0.00 0.00 0.00 178.15 178.08 3a4l h ALA 164 N 1.20 0.12 -0.44 1.87 0.00 -0.60 -0.45 119.26 120.95 3a4l h ALA 164 Ca 0.12 0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.20 3a4l h ALA 164 Cb 0.13 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 3a4l h ALA 164 CO -0.17 -0.50 0.01 -0.22 0.00 0.00 0.00 179.25 178.37 3a4l h LYS 165 N -0.04 0.12 -0.75 0.00 3.64 -0.43 0.16 116.57 119.26 3a4l h LYS 165 Ca 0.11 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 3a4l h LYS 165 Cb 0.21 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 3a4l h LYS 165 CO -0.25 0.08 0.27 0.87 -2.27 0.00 0.00 179.45 178.14 3a4l h LYS 166 N 0.12 1.14 -0.28 1.90 1.57 -0.65 -1.66 116.57 118.71 3a4l h LYS 166 Ca 0.22 -0.23 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 3a4l h LYS 166 Cb 0.32 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3a4l h LYS 166 CO -0.36 0.95 -0.47 -0.07 -0.57 0.00 0.00 179.45 178.93 3a4l h LEU 167 N 1.10 0.81 -0.72 2.94 3.38 -0.56 -1.24 115.31 121.03 3a4l h LEU 167 Ca 0.25 -0.40 -0.14 0.00 0.09 0.00 0.00 57.88 57.68 3a4l h LEU 167 Cb 0.26 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3a4l h LEU 167 CO -0.01 1.15 -0.64 0.16 0.09 0.00 0.00 178.44 179.19 3a4l h ILE 168 N 0.59 1.45 -0.11 1.22 -0.00 -0.77 -0.50 117.51 119.41 3a4l h ILE 168 Ca 0.03 -2.17 0.00 0.00 -0.00 0.00 0.00 64.86 62.72 3a4l h ILE 168 Cb 1.04 2.17 -0.01 0.00 -0.00 0.00 0.00 36.82 40.02 3a4l h ILE 168 CO 0.10 0.62 0.06 -0.33 -0.00 0.00 0.00 178.15 178.61 3a4l h GLU 169 N 0.02 0.13 -0.74 0.16 5.08 -1.16 -2.84 114.58 115.22 3a4l h GLU 169 Ca -0.01 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3a4l h GLU 169 Cb 1.13 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.31 3a4l h GLU 169 CO 0.08 0.08 0.49 -0.22 -1.00 0.00 0.00 179.01 178.45 3a4l h LYS 170 N 0.13 0.90 0.00 2.33 3.64 -0.81 -2.48 116.57 120.29 3a4l h LYS 170 Ca 0.04 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3a4l h LYS 170 Cb -0.01 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.61 3a4l h LYS 170 CO -0.02 0.60 -0.08 0.66 -2.27 0.00 0.00 179.45 178.34 3a4l h SER 171 N 0.93 0.00 0.67 4.20 4.64 -0.84 -1.34 113.55 121.81 3a4l h SER 171 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3a4l h SER 171 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3a4l h SER 171 CO -0.08 0.08 -0.17 0.29 -0.87 0.00 0.00 176.83 176.08 3a4l n LYS 172 N -3.77 0.20 -2.49 4.77 5.02 -0.93 -4.71 118.16 116.25 3a4l n LYS 172 Ca -0.02 -0.06 -0.32 0.00 -2.02 0.00 0.00 58.31 55.88 3a4l n LYS 172 Cb 0.17 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.65 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 -2.84 3.99 0.02 1.97 2.02 -0.51 -5.02 118.70 118.33 3a4l s GLU 173 Ca 0.18 0.96 -0.30 0.00 0.02 0.00 0.00 54.97 55.83 3a4l s GLU 173 Cb 0.19 -2.15 -0.07 0.00 0.10 0.00 0.00 34.13 32.20 3a4l s GLU 173 CO 0.56 -0.22 1.58 0.42 0.02 0.00 0.00 175.26 177.62 3a4l s ILE 174 N -2.54 3.35 0.23 -1.63 -1.09 -1.26 -4.85 121.20 113.41 3a4l s ILE 174 Ca 0.59 0.71 -0.30 0.00 -2.23 0.00 0.00 60.65 59.41 3a4l s ILE 174 Cb -0.10 -3.45 -0.10 0.00 -1.58 0.00 0.00 42.46 37.23 3a4l s ILE 174 CO 0.28 -0.02 1.49 -2.84 -1.23 0.00 0.00 174.94 172.63 3a4l s PRO 175 N 2.90 4.24 -0.12 2.79 0.02 -1.26 -5.01 135.00 138.56 3a4l s PRO 175 Ca 0.71 2.34 0.03 0.00 0.02 0.00 0.00 61.00 64.11 3a4l s PRO 175 Cb -0.36 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.05 3a4l s PRO 175 CO 0.30 -0.50 -0.23 0.15 -0.33 0.00 0.00 177.00 176.40 3a4l s LYS 176 N 0.06 3.04 0.50 5.54 -0.14 -1.26 -5.04 119.74 122.44 3a4l s LYS 176 Ca 0.63 -0.86 0.01 0.00 -1.36 0.00 0.00 55.97 54.39 3a4l s LYS 176 Cb -0.43 -2.37 0.01 0.00 -1.68 0.00 0.00 37.83 33.36 3a4l s LYS 176 CO 0.40 0.09 0.09 1.19 -0.76 0.00 0.00 175.35 176.36 3a4l n PHE 177 N 3.78 0.72 0.00 3.18 3.01 -1.26 -5.04 117.46 121.85 3a4l n PHE 177 Ca -0.19 -2.38 0.00 0.00 1.01 0.00 0.00 57.45 55.88 3a4l n PHE 177 Cb 0.52 -0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 3a4l n PHE 177 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3a4l n ASN 189 N -1.43 0.00 0.08 4.37 5.15 -1.26 -5.10 115.26 117.07 3a4l n ASN 189 Ca -0.16 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.71 3a4l n ASN 189 Cb 0.62 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.84 3a4l n ASN 189 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 3a4l h ILE 190 N 0.00 1.45 -0.62 -1.44 1.08 -2.00 -2.50 117.51 113.48 3a4l h ILE 190 Ca 0.00 -2.55 -0.03 0.00 -0.39 0.00 0.00 64.86 61.89 3a4l h ILE 190 Cb 0.00 2.45 -0.03 0.00 -3.07 0.00 0.00 36.82 36.18 3a4l h ILE 190 CO 0.00 0.75 0.29 -1.28 -0.69 0.00 0.00 178.15 177.22 3a4l h SER 191 N 0.16 0.83 -0.56 1.72 0.87 -2.00 -0.26 113.55 114.32 3a4l h SER 191 Ca -0.06 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.34 3a4l h SER 191 Cb 1.55 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 63.27 3a4l h SER 191 CO 0.15 0.74 0.29 0.44 -0.53 0.00 0.00 176.83 177.92 3a4l h ASP 192 N 0.86 0.71 -0.43 6.23 3.32 -1.98 0.22 116.42 125.35 3a4l h ASP 192 Ca 0.21 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3a4l h ASP 192 Cb 0.14 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 3a4l h ASP 192 CO -0.02 0.62 0.14 0.50 -1.72 0.00 0.00 179.24 178.75 3a4l h LYS 193 N 0.75 0.67 -0.75 3.56 3.64 -1.17 0.10 116.57 123.38 3a4l h LYS 193 Ca 0.19 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3a4l h LYS 193 Cb 0.08 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 3a4l h LYS 193 CO -0.03 0.65 0.32 0.82 -2.27 0.00 0.00 179.45 178.95 3a4l h ILE 194 N 0.56 1.25 -0.35 2.00 2.04 -0.90 0.12 117.51 122.22 3a4l h ILE 194 Ca 0.14 -0.75 -0.04 0.00 1.00 0.00 0.00 64.86 65.22 3a4l h ILE 194 Cb 0.26 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 3a4l h ILE 194 CO -0.01 0.31 0.08 -0.78 0.00 0.00 0.00 178.15 177.75 3a4l h ASP 195 N 1.06 0.54 -0.23 1.72 1.82 -0.68 -1.82 116.42 118.83 3a4l h ASP 195 Ca 0.25 -0.24 -0.05 0.00 -0.39 0.00 0.00 57.03 56.61 3a4l h ASP 195 Cb 0.17 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.03 3a4l h ASP 195 CO -0.03 0.64 -0.03 0.50 -1.61 0.00 0.00 179.24 178.71 3a4l h LYS 196 N 0.42 0.43 0.04 0.28 3.64 -0.54 -2.89 116.57 117.94 3a4l h LYS 196 Ca 0.11 -0.15 -0.23 0.00 -1.27 0.00 0.00 60.65 59.11 3a4l h LYS 196 Cb 0.32 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3a4l h LYS 196 CO 0.00 0.64 -1.02 0.93 -2.27 0.00 0.00 179.45 177.73 3a4l h GLU 197 N 0.18 0.23 -0.20 1.90 4.39 -0.98 -2.00 114.58 118.10 3a4l h GLU 197 Ca 0.06 -0.31 -0.05 0.00 0.34 0.00 0.00 59.36 59.40 3a4l h GLU 197 Cb 0.47 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 3a4l h GLU 197 CO 0.02 1.07 -0.10 1.79 -1.16 0.00 0.00 179.01 180.63 3a4l h THR 198 N 0.10 1.18 -0.23 1.13 1.35 -1.40 0.34 112.91 115.39 3a4l h THR 198 Ca -0.07 -0.79 -0.05 0.00 -0.55 0.00 0.00 66.41 64.94 3a4l h THR 198 Cb 1.70 1.15 -0.01 0.00 -1.73 0.00 0.00 68.15 69.26 3a4l h THR 198 CO 0.16 0.25 -0.05 -0.09 -0.25 0.00 0.00 175.52 175.54 3a4l h ARG 199 N 0.30 0.44 -0.62 4.72 2.43 -1.28 -1.63 114.38 118.74 3a4l h ARG 199 Ca 0.06 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 3a4l h ARG 199 Cb 0.37 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 3a4l h ARG 199 CO 0.02 0.67 0.36 0.87 -1.51 0.00 0.00 179.97 180.39 3a4l h LYS 200 N 0.18 0.85 -0.42 0.20 1.57 -1.04 -1.48 116.57 116.43 3a4l h LYS 200 Ca 0.06 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3a4l h LYS 200 Cb 0.51 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 3a4l h LYS 200 CO 0.02 0.62 0.23 0.82 -0.57 0.00 0.00 179.45 180.57 3a4l h ILE 201 N 0.84 1.01 -0.26 1.86 2.04 -0.88 -0.69 117.51 121.43 3a4l h ILE 201 Ca 0.22 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.97 3a4l h ILE 201 Cb -0.00 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 36.54 3a4l h ILE 201 CO -0.04 0.08 -0.05 0.58 0.00 0.00 0.00 178.15 178.72 3a4l h VAL 202 N 0.46 0.76 -0.45 1.67 2.07 -1.01 -0.58 116.25 119.17 3a4l h VAL 202 Ca 0.17 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.70 3a4l h VAL 202 Cb 0.05 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3a4l h VAL 202 CO -0.10 0.00 0.28 0.28 0.02 0.00 0.00 177.57 178.05 3a4l h SER 203 N 0.02 0.47 -0.50 0.57 0.02 -0.93 -0.94 113.55 112.25 3a4l h SER 203 Ca 0.12 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3a4l h SER 203 Cb 0.18 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 3a4l h SER 203 CO -0.25 0.33 0.28 -0.33 -1.14 0.00 0.00 176.83 175.73 3a4l h GLU 204 N 0.57 0.69 -0.48 3.45 4.39 -0.90 -1.13 114.58 121.17 3a4l h GLU 204 Ca 0.18 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 3a4l h GLU 204 Cb -0.02 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 3a4l h GLU 204 CO -0.06 0.53 0.27 1.88 -1.16 0.00 0.00 179.01 180.46 3a4l h TYR 205 N 0.67 0.65 -0.14 4.33 0.05 -0.81 0.40 116.97 122.12 3a4l h TYR 205 Ca 0.18 -0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.97 3a4l h TYR 205 Cb 0.03 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 37.53 3a4l h TYR 205 CO -0.02 0.48 -0.03 0.82 -1.05 0.00 0.00 178.16 178.36 3a4l h ILE 206 N 0.63 0.86 -0.16 -2.88 2.04 -0.96 0.59 117.51 117.64 3a4l h ILE 206 Ca 0.17 -0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.99 3a4l h ILE 206 Cb 0.04 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3a4l h ILE 206 CO -0.03 0.00 -0.04 0.11 0.00 0.00 0.00 178.15 178.19 3a4l h LYS 207 N 0.00 0.31 0.48 2.37 1.79 -0.94 -0.97 116.57 119.61 3a4l h LYS 207 Ca 0.07 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 3a4l h LYS 207 Cb 0.10 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 3a4l h LYS 207 CO -0.14 0.58 -0.42 1.03 -1.08 0.00 0.00 179.45 179.42 3a4l h SER 208 N 0.01 -1.12 -0.08 0.86 0.87 -0.10 -2.88 113.55 111.11 3a4l h SER 208 Ca 0.04 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 3a4l h SER 208 Cb 0.47 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 3a4l h SER 208 CO 0.02 -0.59 0.00 0.29 -0.53 0.00 0.00 176.83 176.02 3a4l n LYS 209 N -5.52 1.30 -3.61 2.24 5.02 0.19 -4.94 118.16 112.83 3a4l n LYS 209 Ca -0.11 -0.45 -0.21 0.00 -2.02 0.00 0.00 58.31 55.51 3a4l n LYS 209 Cb 0.42 -1.27 0.00 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 -0.28 -1.29 -2.58 1.97 5.02 -0.43 -4.87 118.16 115.70 3a4l n LYS 210 Ca 0.12 0.61 -0.38 0.00 -2.02 0.00 0.00 58.31 56.64 3a4l n LYS 210 Cb 0.16 -1.87 -0.05 0.00 -0.02 0.00 0.00 35.03 33.25 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 -4.57 4.35 0.99 -0.35 1.02 -0.86 -5.05 118.68 114.22 3a4l s LEU 211 Ca 0.01 2.07 -0.15 0.00 0.02 0.00 0.00 54.13 56.08 3a4l s LEU 211 Cb -0.00 -3.92 0.19 0.00 0.02 0.00 0.00 46.19 42.47 3a4l s LEU 211 CO 0.76 -0.25 1.16 1.51 0.02 0.00 0.00 176.35 179.55 3a4l s ASP 212 N -1.31 2.77 0.35 2.29 3.84 -1.26 -4.73 116.67 118.61 3a4l s ASP 212 Ca 0.51 0.77 0.06 0.00 -0.00 0.00 0.00 52.55 53.89 3a4l s ASP 212 Cb -0.25 -1.18 0.65 0.00 -1.38 0.00 0.00 42.92 40.76 3a4l s ASP 212 CO 0.32 -3.00 1.88 0.07 -0.00 0.00 0.00 175.17 174.44 3a4l h LYS 213 N -1.81 0.43 -0.18 2.11 2.10 -1.99 0.09 116.57 117.33 3a4l h LYS 213 Ca -0.48 -0.10 -0.20 0.00 -2.00 0.00 0.00 60.65 57.87 3a4l h LYS 213 Cb 1.31 -0.06 0.01 0.00 -0.90 0.00 0.00 32.23 32.58 3a4l h LYS 213 CO 0.51 0.51 -0.66 -0.44 -2.00 0.00 0.00 179.45 177.36 3a4l h ASP 214 N 0.41 0.90 -0.83 7.07 5.19 -2.00 -2.59 116.42 124.58 3a4l h ASP 214 Ca 0.09 -0.60 -0.03 0.00 -0.62 0.00 0.00 57.03 55.87 3a4l h ASP 214 Cb 0.36 -0.26 -0.04 0.00 0.18 0.00 0.00 39.33 39.57 3a4l h ASP 214 CO 0.02 1.35 0.41 0.11 -3.12 0.00 0.00 179.24 178.01 3a4l h LYS 215 N 0.50 1.18 0.04 3.56 1.79 -1.82 -1.69 116.57 120.13 3a4l h LYS 215 Ca -0.03 -0.16 0.02 0.00 -2.18 0.00 0.00 60.65 58.29 3a4l h LYS 215 Cb 1.29 -0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 31.70 3a4l h LYS 215 CO 0.14 0.90 -0.17 0.82 -1.08 0.00 0.00 179.45 180.06 3a4l h ILE 216 N 1.17 0.61 -0.83 1.86 2.04 -0.94 -0.77 117.51 120.64 3a4l h ILE 216 Ca 0.29 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.28 3a4l h ILE 216 Cb 0.10 0.61 -0.09 0.00 -0.74 0.00 0.00 36.82 36.69 3a4l h ILE 216 CO -0.04 0.00 0.43 0.50 0.00 0.00 0.00 178.15 179.04 3a4l h LYS 217 N -0.29 0.62 -0.55 2.37 1.63 -1.25 -1.60 116.57 117.50 3a4l h LYS 217 Ca 0.04 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 3a4l h LYS 217 Cb 0.34 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.80 3a4l h LYS 217 CO -0.13 0.41 0.28 0.93 -3.45 0.00 0.00 179.45 177.49 3a4l h GLU 218 N 0.64 0.79 -0.00 1.90 5.08 -0.41 -0.63 114.58 121.95 3a4l h GLU 218 Ca 0.44 -0.11 -0.20 0.00 -1.00 0.00 0.00 59.36 58.50 3a4l h GLU 218 Cb 0.59 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3a4l h GLU 218 CO -0.34 0.64 -0.87 -0.39 -1.00 0.00 0.00 179.01 177.04 3a4l h VAL 219 N 0.75 1.47 -0.78 3.13 -1.51 -0.65 0.13 116.25 118.79 3a4l h VAL 219 Ca 0.19 -2.55 -0.04 0.00 -1.23 0.00 0.00 66.70 63.07 3a4l h VAL 219 Cb 0.10 2.43 -0.03 0.00 -2.13 0.00 0.00 31.29 31.65 3a4l h VAL 219 CO -0.03 0.75 0.34 0.58 -1.23 0.00 0.00 177.57 177.98 3a4l h VAL 220 N 0.13 1.25 -0.32 7.19 2.07 -1.20 -0.47 116.25 124.91 3a4l h VAL 220 Ca -0.05 -0.75 -0.13 0.00 0.82 0.00 0.00 66.70 66.59 3a4l h VAL 220 Cb 1.50 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3a4l h VAL 220 CO 0.14 0.31 -0.34 -0.08 0.02 0.00 0.00 177.57 177.62 3a4l h GLU 221 N 1.11 0.71 -0.31 1.57 4.57 -0.83 -2.39 114.58 119.01 3a4l h GLU 221 Ca 0.26 -0.34 0.03 0.00 -1.18 0.00 0.00 59.36 58.13 3a4l h GLU 221 Cb 0.17 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 3a4l h GLU 221 CO -0.03 0.95 0.12 1.25 -1.18 0.00 0.00 179.01 180.12 3a4l h LEU 222 N 0.60 0.14 -0.41 1.64 5.85 -0.45 -1.19 115.31 121.49 3a4l h LEU 222 Ca 0.06 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.86 3a4l h LEU 222 Cb 0.87 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.86 3a4l h LEU 222 CO 0.08 0.12 0.14 -0.09 -0.34 0.00 0.00 178.44 178.35 3a4l h ARG 223 N 0.26 0.29 -0.53 1.25 2.43 -0.96 0.01 114.38 117.15 3a4l h ARG 223 Ca 0.13 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.33 3a4l h ARG 223 Cb 0.09 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 3a4l h ARG 223 CO -0.13 0.19 0.27 -0.22 -1.51 0.00 0.00 179.97 178.58 3a4l h LYS 224 N 0.30 0.51 -0.49 0.20 3.64 -0.95 -0.29 116.57 119.50 3a4l h LYS 224 Ca 0.19 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 3a4l h LYS 224 Cb 0.18 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3a4l h LYS 224 CO -0.20 0.34 -0.01 0.93 -2.27 0.00 0.00 179.45 178.24 3a4l h GLU 225 N 0.53 0.87 -0.51 1.90 5.08 -0.89 -2.05 114.58 119.51 3a4l h GLU 225 Ca 0.23 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3a4l h GLU 225 Cb 0.13 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3a4l h GLU 225 CO -0.16 0.91 0.27 0.35 -1.00 0.00 0.00 179.01 179.39 3a4l h PHE 226 N 0.73 0.71 -0.04 4.33 3.04 -0.43 -2.29 116.94 123.00 3a4l h PHE 226 Ca 0.14 -0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.99 3a4l h PHE 226 Cb 0.52 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.80 3a4l h PHE 226 CO 0.04 0.53 -0.33 -0.07 -2.02 0.00 0.00 178.31 176.46 3a4l h LEU 227 N 0.68 0.06 -0.72 0.59 3.38 -0.89 -0.57 115.31 117.85 3a4l h LEU 227 Ca 0.18 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 3a4l h LEU 227 Cb 0.06 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3a4l h LEU 227 CO -0.03 0.39 0.22 0.11 0.09 0.00 0.00 178.44 179.22 3a4l h LYS 228 N 0.06 1.13 -0.19 1.13 1.57 -0.84 -1.14 116.57 118.29 3a4l h LYS 228 Ca 0.01 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 3a4l h LYS 228 Cb 0.61 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3a4l h LYS 228 CO 0.04 0.97 0.04 0.87 -0.57 0.00 0.00 179.45 180.80 3a4l h LYS 229 N 1.07 0.30 -0.59 3.15 6.56 -0.84 -1.39 116.57 124.84 3a4l h LYS 229 Ca 0.23 -0.08 0.08 0.00 -1.06 0.00 0.00 60.65 59.83 3a4l h LYS 229 Cb 0.31 -0.04 -0.07 0.00 -0.57 0.00 0.00 32.23 31.87 3a4l h LYS 229 CO -0.01 0.45 0.23 0.82 -2.06 0.00 0.00 179.45 178.89 3a4l h ILE 230 N 0.10 0.81 0.37 1.86 2.04 -0.96 -3.26 117.51 118.46 3a4l h ILE 230 Ca 0.06 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3a4l h ILE 230 Cb 0.29 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3a4l h ILE 230 CO 0.00 0.08 -0.18 0.11 0.00 0.00 0.00 178.15 178.16 3a4l h LYS 231 N 0.43 -0.47 -2.06 2.37 1.57 -1.13 -3.50 116.57 113.78 3a4l h LYS 231 Ca 0.29 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 3a4l h LYS 231 Cb 0.32 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 3a4l h LYS 231 CO -0.27 -0.32 0.01 1.17 -0.57 0.00 0.00 179.45 179.47 3a4l n LYS 232 N -4.45 0.53 0.00 3.15 4.81 -0.53 -5.11 118.16 116.56 3a4l n LYS 232 Ca -0.06 -0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 3a4l n LYS 232 Cb 0.19 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 33.93 3a4l n LYS 232 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 3a4l n VAL 236 N 1.87 0.00 -3.64 3.15 3.14 -1.26 -4.96 118.33 116.63 3a4l n VAL 236 Ca 0.02 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 61.01 3a4l n VAL 236 Cb 0.26 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 32.93 3a4l n VAL 236 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3a4l s ASP 237 N 0.00 5.61 0.19 6.55 3.68 -1.26 -5.01 116.67 126.42 3a4l s ASP 237 Ca 0.00 -0.84 -0.16 0.00 2.13 0.00 0.00 52.55 53.68 3a4l s ASP 237 Cb 0.00 -2.00 0.16 0.00 -1.45 0.00 0.00 42.92 39.63 3a4l s ASP 237 CO 0.00 -0.31 1.65 0.00 0.13 0.00 0.00 175.17 176.64 3a4l h ALA 238 N 8.38 0.32 -0.11 3.66 0.00 -1.99 -0.33 119.26 129.19 3a4l h ALA 238 Ca -0.28 0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3a4l h ALA 238 Cb 1.12 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 3a4l h ALA 238 CO 0.64 -0.45 -0.34 0.22 0.00 0.00 0.00 179.25 179.33 3a4l h ASP 239 N -0.01 0.23 -0.09 0.00 3.58 -1.98 0.22 116.42 118.37 3a4l h ASP 239 Ca 0.24 -0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.53 3a4l h ASP 239 Cb 0.38 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.37 3a4l h ASP 239 CO -0.53 0.56 -0.28 -0.09 -2.88 0.00 0.00 179.24 176.03 3a4l h ARG 240 N 0.20 0.34 -0.46 0.28 1.12 -1.84 -0.52 114.38 113.49 3a4l h ARG 240 Ca 0.02 -0.25 0.03 0.00 -1.11 0.00 0.00 59.98 58.67 3a4l h ARG 240 Cb 0.70 0.04 -0.03 0.00 -0.01 0.00 0.00 29.97 30.67 3a4l h ARG 240 CO 0.05 0.87 0.25 0.28 -3.11 0.00 0.00 179.97 178.32 3a4l h VAL 241 N -0.13 1.01 -0.13 0.20 2.07 -0.56 -0.12 116.25 118.58 3a4l h VAL 241 Ca -0.01 -0.17 -0.19 0.00 0.82 0.00 0.00 66.70 67.15 3a4l h VAL 241 Cb 0.90 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3a4l h VAL 241 CO 0.06 0.09 -0.69 -0.07 0.02 0.00 0.00 177.57 176.98 3a4l h LEU 242 N 0.50 0.66 -0.66 2.57 3.38 -0.59 -0.49 115.31 120.67 3a4l h LEU 242 Ca 0.19 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 3a4l h LEU 242 Cb 0.06 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3a4l h LEU 242 CO -0.11 1.16 0.35 0.50 0.09 0.00 0.00 178.44 180.43 3a4l h LYS 243 N 0.40 0.93 -0.47 1.13 3.64 -0.89 -1.31 116.57 120.00 3a4l h LYS 243 Ca -0.03 -0.12 -0.11 0.00 -1.27 0.00 0.00 60.65 59.13 3a4l h LYS 243 Cb 1.27 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 3a4l h LYS 243 CO 0.13 0.71 -0.13 1.49 -2.27 0.00 0.00 179.45 179.38 3a4l h GLU 244 N 0.91 0.88 -0.35 1.90 4.57 -0.85 -1.15 114.58 120.48 3a4l h GLU 244 Ca 0.23 -0.32 0.04 0.00 -1.18 0.00 0.00 59.36 58.13 3a4l h GLU 244 Cb 0.06 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.56 3a4l h GLU 244 CO -0.03 0.96 0.14 0.35 -1.18 0.00 0.00 179.01 179.24 3a4l h PHE 245 N 0.79 0.25 -0.16 0.92 3.57 -0.74 0.13 116.94 121.69 3a4l h PHE 245 Ca 0.12 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.67 3a4l h PHE 245 Cb 0.65 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 3a4l h PHE 245 CO 0.04 0.11 -0.02 0.87 -2.23 0.00 0.00 178.31 177.09 3a4l h LYS 246 N 0.30 0.03 -0.67 1.11 1.57 -0.92 -1.08 116.57 116.90 3a4l h LYS 246 Ca 0.16 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 3a4l h LYS 246 Cb 0.11 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 3a4l h LYS 246 CO -0.15 0.02 0.44 -0.44 -0.57 0.00 0.00 179.45 178.76 3a4l h ASP 247 N 0.03 0.70 -0.10 0.86 3.32 -0.77 -1.35 116.42 119.11 3a4l h ASP 247 Ca 0.08 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3a4l h ASP 247 Cb 0.10 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 3a4l h ASP 247 CO -0.14 0.49 -0.01 0.25 -1.72 0.00 0.00 179.24 178.11 3a4l h LEU 248 N 0.82 0.19 -0.75 1.55 5.85 -0.25 0.63 115.31 123.34 3a4l h LEU 248 Ca 0.26 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.71 3a4l h LEU 248 Cb 0.04 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 3a4l h LEU 248 CO -0.07 0.48 0.44 -0.07 -0.34 0.00 0.00 178.44 178.88 3a4l h LEU 249 N -0.11 0.68 0.24 2.25 3.38 -0.64 0.25 115.31 121.35 3a4l h LEU 249 Ca 0.03 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3a4l h LEU 249 Cb 0.39 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3a4l h LEU 249 CO 0.01 0.44 -0.11 0.78 0.09 0.00 0.00 178.44 179.64 3a4l h ASN 250 N 0.81 -0.27 -0.86 -0.43 -0.26 -1.07 -2.64 115.58 110.86 3a4l h ASN 250 Ca 0.33 -0.02 0.13 0.00 -0.56 0.00 0.00 56.30 56.18 3a4l h ASN 250 Cb 0.18 0.07 -0.09 0.00 -1.06 0.00 0.00 38.32 37.42 3a4l h ASN 250 CO -0.18 -0.16 0.47 0.28 -1.06 0.00 0.00 177.43 176.79 3a4l h SER 251 N -0.37 0.61 0.00 5.81 0.02 -0.49 -3.51 113.55 115.63 3a4l h SER 251 Ca -0.03 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3a4l h SER 251 Cb 0.28 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.79 3a4l h SER 251 CO 0.05 0.30 0.00 0.00 -1.14 0.00 0.00 176.83 176.04