#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3eey s LEU 1 N 0.00 4.41 -0.01 1.04 2.96 -1.26 -5.04 118.68 120.79 3eey s LEU 1 Ca 0.00 2.19 0.04 0.00 -0.22 0.00 0.00 54.13 56.14 3eey s LEU 1 Cb 0.00 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.08 3eey s LEU 1 CO 0.00 -0.45 -0.13 -0.89 -1.32 0.00 0.00 176.35 173.57 3eey s THR 2 N 0.44 1.00 -0.04 3.68 2.01 -1.26 -5.11 115.64 116.36 3eey s THR 2 Ca 0.56 -0.56 -0.30 0.00 0.31 0.00 0.00 61.69 61.71 3eey s THR 2 Cb -0.32 -0.84 -0.05 0.00 0.01 0.00 0.00 72.50 71.30 3eey s THR 2 CO 0.34 0.27 1.56 -0.63 -0.69 0.00 0.00 174.62 175.46 3eey s ILE 3 N -0.32 3.63 0.71 1.82 1.01 -1.26 -5.00 121.20 121.79 3eey s ILE 3 Ca 0.05 0.86 -0.11 0.00 0.00 0.00 0.00 60.65 61.44 3eey s ILE 3 Cb -0.05 -3.55 0.02 0.00 0.01 0.00 0.00 42.46 38.88 3eey s ILE 3 CO -0.00 -0.05 1.07 -0.54 0.00 0.00 0.00 174.94 175.41 3eey s LYS 4 N 3.50 2.83 1.06 2.79 1.02 -1.26 -5.07 119.74 124.61 3eey s LYS 4 Ca 0.69 0.78 -0.17 0.00 0.02 0.00 0.00 55.97 57.29 3eey s LYS 4 Cb -0.32 -1.99 0.23 0.00 -0.52 0.00 0.00 37.83 35.23 3eey s LYS 4 CO 0.27 -1.13 1.21 0.54 -0.92 0.00 0.00 175.35 175.32 3eey s ASN 5 N -3.96 2.18 0.22 2.83 2.20 -1.26 -4.71 114.94 112.44 3eey s ASN 5 Ca 0.58 0.50 -0.08 0.00 -0.94 0.00 0.00 52.86 52.92 3eey s ASN 5 Cb -0.13 -0.68 0.30 0.00 -2.00 0.00 0.00 41.25 38.74 3eey s ASN 5 CO 0.54 -3.33 1.78 0.28 -2.94 0.00 0.00 177.10 173.43 3eey h SER 6 N -2.04 0.45 -0.61 3.54 0.02 -1.94 0.84 113.55 113.79 3eey h SER 6 Ca -0.45 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.55 3eey h SER 6 Cb 1.27 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.76 3eey h SER 6 CO 0.39 0.27 0.35 0.25 -1.14 0.00 0.00 176.83 176.95 3eey h LEU 7 N 0.59 0.75 -0.53 5.07 5.85 -1.93 -1.29 115.31 123.82 3eey h LEU 7 Ca 0.33 -0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.87 3eey h LEU 7 Cb 0.33 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3eey h LEU 7 CO -0.25 0.61 -0.09 1.23 -0.34 0.00 0.00 178.44 179.60 3eey h GLY 8 N 0.83 1.07 1.74 3.75 0.00 -1.74 -3.16 103.07 105.56 3eey h GLY 8 Ca 0.22 -0.86 -0.10 0.00 0.00 0.00 0.00 47.33 46.59 3eey h GLY 8 CO -0.04 0.78 -0.36 1.46 0.00 0.00 0.00 176.54 178.39 3eey h GLN 9 N 0.86 0.30 -0.60 4.80 4.20 -0.67 -2.79 115.11 121.21 3eey h GLN 9 Ca 0.14 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.73 3eey h GLN 9 Cb 0.65 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 3eey h GLN 9 CO 0.04 0.62 0.40 0.66 -0.67 0.00 0.00 178.83 179.88 3eey h SER 10 N 0.26 0.69 -0.71 1.46 4.64 -1.21 0.05 113.55 118.73 3eey h SER 10 Ca 0.03 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3eey h SER 10 Cb 0.75 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.64 3eey h SER 10 CO 0.06 0.50 0.44 0.45 -0.87 0.00 0.00 176.83 177.41 3eey h HIS 11 N 0.81 0.92 -0.75 4.77 3.86 -1.52 -1.50 115.15 121.73 3eey h HIS 11 Ca 0.22 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.40 3eey h HIS 11 Cb -0.09 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.04 3eey h HIS 11 CO -0.03 0.60 0.32 -0.44 0.86 0.00 0.00 177.93 179.24 3eey h ASP 12 N 0.96 1.01 -0.39 2.45 3.32 -1.18 -0.78 116.42 121.82 3eey h ASP 12 Ca 0.26 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 3eey h ASP 12 Cb -0.06 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 3eey h ASP 12 CO -0.05 0.90 -0.09 1.88 -1.72 0.00 0.00 179.24 180.15 3eey h TYR 13 N 1.07 0.91 -0.32 4.55 -1.99 -0.83 -2.60 116.97 117.76 3eey h TYR 13 Ca 0.25 -0.16 -0.08 0.00 2.00 0.00 0.00 58.73 60.74 3eey h TYR 13 Cb 0.18 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 38.67 3eey h TYR 13 CO 0.02 0.88 -0.12 0.82 -0.00 0.00 0.00 178.16 179.75 3eey h ILE 14 N 0.75 1.29 -0.85 -2.88 1.08 -1.00 -3.05 117.51 112.85 3eey h ILE 14 Ca 0.13 -1.21 0.07 0.00 -0.39 0.00 0.00 64.86 63.46 3eey h ILE 14 Cb 0.58 1.40 -0.06 0.00 -3.07 0.00 0.00 36.82 35.68 3eey h ILE 14 CO 0.04 0.39 0.56 0.11 -0.69 0.00 0.00 178.15 178.55 3eey h LYS 15 N 0.41 0.89 -0.58 2.37 1.57 -1.12 0.99 116.57 121.11 3eey h LYS 15 Ca 0.07 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3eey h LYS 15 Cb 0.64 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 3eey h LYS 15 CO 0.04 0.59 0.37 0.52 -0.57 0.00 0.00 179.45 180.40 3eey h MET 16 N 0.92 0.77 0.00 3.15 2.86 -1.37 -3.34 114.93 117.92 3eey h MET 16 Ca 0.37 -0.05 -0.24 0.00 -2.06 0.00 0.00 59.70 57.72 3eey h MET 16 Cb 0.27 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 3eey h MET 16 CO -0.14 0.52 -2.05 1.19 1.06 0.00 0.00 176.91 177.48 3eey n PHE 17 N -4.44 0.00 -3.29 -0.22 3.72 -0.70 -4.93 117.46 107.60 3eey n PHE 17 Ca 0.06 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.06 3eey n PHE 17 Cb 0.05 -0.72 -0.08 0.00 -0.94 0.00 0.00 39.48 37.79 3eey n PHE 17 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3eey s VAL 18 N -2.56 5.09 0.52 -4.37 1.01 0.26 -5.00 120.40 115.36 3eey s VAL 18 Ca -0.08 0.65 0.07 0.00 0.00 0.00 0.00 61.98 62.63 3eey s VAL 18 Cb 0.06 -3.81 0.04 0.00 0.00 0.00 0.00 36.38 32.66 3eey s VAL 18 CO 0.68 0.04 0.49 -1.59 0.00 0.00 0.00 175.10 174.72 3eey s LYS 19 N 2.25 2.34 0.26 2.72 -2.85 -1.26 -4.84 119.74 118.36 3eey s LYS 19 Ca 0.18 -1.81 -0.30 0.00 -1.00 0.00 0.00 55.97 53.05 3eey s LYS 19 Cb -0.16 -2.30 -0.09 0.00 -2.06 0.00 0.00 37.83 33.22 3eey s LYS 19 CO 0.10 -0.57 1.11 -1.21 0.10 0.00 0.00 175.35 174.88 3eey s GLU 20 N -4.34 4.62 0.00 1.78 2.02 -1.25 -3.30 118.70 118.24 3eey s GLU 20 Ca 0.44 1.81 0.00 0.00 0.02 0.00 0.00 54.97 57.24 3eey s GLU 20 Cb -0.03 -3.20 0.00 0.00 0.10 0.00 0.00 34.13 30.99 3eey s GLU 20 CO 0.27 0.17 0.00 0.41 0.02 0.00 0.00 175.26 176.13 3eey n GLY 21 N 1.37 0.71 3.82 -1.39 0.00 0.11 -4.96 105.19 104.86 3eey n GLY 21 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3eey n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3eey s ASP 22 N -2.91 4.98 -0.25 1.61 1.01 -1.21 -4.49 116.67 115.41 3eey s ASP 22 Ca 0.00 1.38 -0.07 0.00 0.71 0.00 0.00 52.55 54.57 3eey s ASP 22 Cb 0.00 -2.18 -0.03 0.00 1.01 0.00 0.00 42.92 41.72 3eey s ASP 22 CO 0.00 -1.67 0.06 -0.89 0.21 0.00 0.00 175.17 172.88 3eey s THR 23 N -3.15 4.22 0.36 -1.27 2.01 -1.26 -1.84 115.64 114.71 3eey s THR 23 Ca 0.59 -0.21 0.08 0.00 0.31 0.00 0.00 61.69 62.46 3eey s THR 23 Cb -0.14 -2.98 -0.07 0.00 0.01 0.00 0.00 72.50 69.33 3eey s THR 23 CO 0.54 0.34 -0.04 0.68 -0.69 0.00 0.00 174.62 175.45 3eey s VAL 24 N 1.60 2.02 -0.05 3.82 -7.23 0.01 -0.64 120.40 119.94 3eey s VAL 24 Ca 0.06 -2.11 0.02 0.00 -1.81 0.00 0.00 61.98 58.15 3eey s VAL 24 Cb -0.15 -2.76 0.01 0.00 0.56 0.00 0.00 36.38 34.04 3eey s VAL 24 CO 0.03 -0.13 -0.11 -0.69 -0.31 0.00 0.00 175.10 173.89 3eey s VAL 25 N -2.73 1.02 -0.40 1.32 1.01 0.05 -1.45 120.40 119.21 3eey s VAL 25 Ca 0.33 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.74 3eey s VAL 25 Cb 0.06 -0.93 0.03 0.00 0.00 0.00 0.00 36.38 35.54 3eey s VAL 25 CO 0.16 0.32 0.28 -0.62 0.00 0.00 0.00 175.10 175.24 3eey s ASP 26 N 0.51 5.98 0.22 3.32 -1.08 0.08 -0.95 116.67 124.76 3eey s ASP 26 Ca -0.10 -0.99 0.25 0.00 -0.52 0.00 0.00 52.55 51.18 3eey s ASP 26 Cb -0.14 -2.11 0.53 0.00 -1.46 0.00 0.00 42.92 39.74 3eey s ASP 26 CO 0.02 -0.45 1.56 0.00 0.52 0.00 0.00 175.17 176.82 3eey h ALA 27 N 8.57 0.84 -2.66 3.66 0.00 -1.42 -2.00 119.26 126.24 3eey h ALA 27 Ca -0.26 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.05 3eey h ALA 27 Cb 1.11 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.51 3eey h ALA 27 CO 0.72 0.00 -0.84 0.95 0.00 0.00 0.00 179.25 180.09 3eey s THR 28 N -3.16 0.66 0.10 0.00 -4.23 -1.25 -4.56 115.64 103.20 3eey s THR 28 Ca 0.08 -2.29 -0.24 0.00 -1.18 0.00 0.00 61.69 58.06 3eey s THR 28 Cb 0.11 -1.47 -0.11 0.00 1.34 0.00 0.00 72.50 72.37 3eey s THR 28 CO 0.66 -1.03 1.70 0.00 -0.54 0.00 0.00 174.62 175.42 3eey n GLY 30 N -1.21 3.48 0.09 0.00 0.00 -1.26 -1.41 105.19 104.88 3eey n GLY 30 Ca -0.07 -0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.08 3eey n GLY 30 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3eey n ASN 31 N 4.81 0.65 0.00 1.61 3.02 -1.26 -4.41 115.26 119.68 3eey n ASN 31 Ca 0.00 0.57 0.00 0.00 -0.03 0.00 0.00 54.58 55.12 3eey n ASN 31 Cb 0.00 -0.74 0.00 0.00 -0.61 0.00 0.00 39.78 38.43 3eey n ASN 31 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3eey n GLY 32 N 1.16 1.06 0.08 7.41 0.00 -0.50 -3.78 105.19 110.62 3eey n GLY 32 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 3eey n GLY 32 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3eey h ASN 33 N 0.00 -0.10 0.61 1.61 2.35 -1.92 -0.40 115.58 117.73 3eey h ASN 33 Ca 0.00 0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 3eey h ASN 33 Cb 0.00 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 3eey h ASN 33 CO 0.00 -0.07 -0.35 0.44 -1.65 0.00 0.00 177.43 175.80 3eey h ASP 34 N -0.11 0.00 -0.22 5.81 3.32 -1.94 -1.21 116.42 122.07 3eey h ASP 34 Ca -0.01 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 3eey h ASP 34 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3eey h ASP 34 CO 0.01 0.35 -0.47 0.74 -1.72 0.00 0.00 179.24 178.15 3eey h THR 35 N 0.00 1.31 -0.31 0.35 2.02 -1.78 0.00 112.91 114.50 3eey h THR 35 Ca -0.00 -1.68 -0.05 0.00 0.77 0.00 0.00 66.41 65.44 3eey h THR 35 Cb 0.75 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.96 3eey h THR 35 CO 0.05 0.53 -0.01 0.00 0.37 0.00 0.00 175.52 176.46 3eey h ALA 36 N 0.62 0.42 -0.23 6.16 0.00 -0.93 -1.36 119.26 123.93 3eey h ALA 36 Ca 0.00 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.73 3eey h ALA 36 Cb 1.08 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 3eey h ALA 36 CO 0.10 0.18 -0.13 0.35 0.00 0.00 0.00 179.25 179.75 3eey h PHE 37 N 0.34 -0.31 -0.48 0.00 3.57 -1.20 -1.66 116.94 117.20 3eey h PHE 37 Ca 0.09 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 3eey h PHE 37 Cb 0.45 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 3eey h PHE 37 CO 0.04 -0.19 0.05 -0.07 -2.23 0.00 0.00 178.31 175.90 3eey h LEU 38 N -0.11 0.72 -0.60 0.59 3.38 -0.90 -2.93 115.31 115.45 3eey h LEU 38 Ca 0.13 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3eey h LEU 38 Cb 0.30 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3eey h LEU 38 CO -0.30 0.76 0.10 0.00 0.09 0.00 0.00 178.44 179.09 3eey h ALA 39 N 1.33 0.80 -0.24 1.53 0.00 -0.89 -2.75 119.26 119.04 3eey h ALA 39 Ca 0.15 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3eey h ALA 39 Cb 0.37 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3eey h ALA 39 CO 0.01 0.56 -0.18 0.66 0.00 0.00 0.00 179.25 180.30 3eey h SER 40 N 0.90 0.40 0.75 0.00 4.64 -1.19 -2.96 113.55 116.10 3eey h SER 40 Ca 0.18 -0.11 -0.14 0.00 -0.47 0.00 0.00 61.79 61.25 3eey h SER 40 Cb 0.42 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 3eey h SER 40 CO 0.01 0.60 -0.67 -0.07 -0.87 0.00 0.00 176.83 175.83 3eey h LEU 41 N 0.38 0.00 0.00 5.97 3.38 -1.39 -3.34 115.31 120.31 3eey h LEU 41 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3eey h LEU 41 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3eey h LEU 41 CO 0.03 0.67 -1.01 0.55 0.09 0.00 0.00 178.44 178.78 3eey n VAL 42 N -3.66 0.25 -3.22 1.22 3.14 -1.05 -3.77 118.33 111.25 3eey n VAL 42 Ca -0.01 -0.30 0.01 0.00 -2.96 0.00 0.00 64.34 61.09 3eey n VAL 42 Cb 0.68 0.07 -0.00 0.00 -1.06 0.00 0.00 33.84 33.52 3eey n VAL 42 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3eey n GLY 43 N 1.33 -1.90 0.14 7.55 0.00 -1.16 0.05 105.19 111.21 3eey n GLY 43 Ca 0.02 -1.35 -0.03 0.00 0.00 0.00 0.00 46.02 44.66 3eey n GLY 43 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3eey h GLU 44 N 0.00 0.06 -0.17 1.61 4.11 -1.95 -3.08 114.58 115.16 3eey h GLU 44 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.38 3eey h GLU 44 Cb 0.09 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3eey h GLU 44 CO 0.00 0.69 0.00 0.09 0.07 0.00 0.00 179.01 179.86 3eey n ASN 45 N -3.79 1.85 -4.88 3.06 3.02 -1.26 -4.88 115.26 108.37 3eey n ASN 45 Ca -0.01 -1.72 -0.22 0.00 -0.03 0.00 0.00 54.58 52.59 3eey n ASN 45 Cb 0.64 -0.11 0.06 0.00 -0.61 0.00 0.00 39.78 39.76 3eey n ASN 45 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3eey s GLY 46 N -1.61 1.80 -0.03 7.41 0.00 -1.16 -4.63 107.32 109.10 3eey s GLY 46 Ca 0.33 -1.50 -0.00 0.00 0.00 0.00 0.00 44.72 43.55 3eey s GLY 46 CO 0.27 -1.11 0.03 -1.60 0.00 0.00 0.00 173.10 170.69 3eey s ARG 47 N -4.89 0.08 -0.18 2.90 6.06 -0.77 -4.77 118.95 117.39 3eey s ARG 47 Ca 0.61 0.20 -0.02 0.00 -2.50 0.00 0.00 55.73 54.02 3eey s ARG 47 Cb -0.08 -0.42 -0.01 0.00 0.06 0.00 0.00 34.95 34.50 3eey s ARG 47 CO 0.40 -0.21 -0.09 0.08 -2.50 0.00 0.00 175.30 172.98 3eey s VAL 48 N 1.40 3.15 -0.23 7.11 1.01 -0.90 -0.81 120.40 131.13 3eey s VAL 48 Ca -0.05 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 3eey s VAL 48 Cb -0.13 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 3eey s VAL 48 CO -0.03 0.48 0.22 -0.36 0.00 0.00 0.00 175.10 175.41 3eey s PHE 49 N 0.94 3.34 -0.00 5.22 0.08 -0.53 -0.35 117.98 126.69 3eey s PHE 49 Ca -0.01 0.33 0.04 0.00 0.12 0.00 0.00 56.93 57.41 3eey s PHE 49 Cb -0.15 -2.32 -0.03 0.00 -0.57 0.00 0.00 43.02 39.95 3eey s PHE 49 CO -0.00 0.07 -0.12 0.20 -0.10 0.00 0.00 175.22 175.26 3eey s GLY 50 N 0.99 1.64 -0.02 4.36 0.00 -0.32 -0.74 107.32 113.23 3eey s GLY 50 Ca 0.10 -1.06 0.02 0.00 0.00 0.00 0.00 44.72 43.78 3eey s GLY 50 CO 0.05 -0.91 -0.07 -1.36 0.00 0.00 0.00 173.10 170.81 3eey s PHE 51 N -0.90 0.75 0.11 1.90 0.08 -0.75 -0.76 117.98 118.41 3eey s PHE 51 Ca 0.15 -0.17 -0.21 0.00 0.12 0.00 0.00 56.93 56.82 3eey s PHE 51 Cb -0.11 -0.55 0.05 0.00 -0.57 0.00 0.00 43.02 41.84 3eey s PHE 51 CO 0.05 -0.08 0.51 0.34 -0.10 0.00 0.00 175.22 175.94 3eey s ASP 52 N 0.23 -0.42 0.00 1.36 -1.08 -1.13 -0.76 116.67 114.87 3eey s ASP 52 Ca -0.03 -0.03 0.23 0.00 -0.52 0.00 0.00 52.55 52.20 3eey s ASP 52 Cb -0.08 0.52 0.08 0.00 -1.46 0.00 0.00 42.92 41.99 3eey s ASP 52 CO 0.00 -0.85 1.14 2.30 0.52 0.00 0.00 175.17 178.29 3eey n ILE 53 N -0.05 0.00 -4.43 4.11 -5.35 -1.26 -2.42 119.36 109.96 3eey n ILE 53 Ca -0.17 -0.24 -0.34 0.00 -0.27 0.00 0.00 62.75 61.72 3eey n ILE 53 Cb 0.63 1.16 -0.10 0.00 -1.74 0.00 0.00 39.64 39.59 3eey n ILE 53 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3eey s GLN 54 N -2.48 2.90 0.26 6.28 -0.21 -1.26 -4.95 119.66 120.21 3eey s GLN 54 Ca 0.19 -0.46 0.05 0.00 0.02 0.00 0.00 55.36 55.16 3eey s GLN 54 Cb 0.18 -2.73 0.35 0.00 1.00 0.00 0.00 33.01 31.82 3eey s GLN 54 CO 0.57 0.69 1.63 -0.44 -2.12 0.00 0.00 175.29 175.62 3eey h ASP 55 N 5.09 0.28 -0.61 5.90 3.32 -2.00 -2.65 116.42 125.75 3eey h ASP 55 Ca -0.50 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 56.39 3eey h ASP 55 Cb 1.19 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.63 3eey h ASP 55 CO 0.54 0.73 0.28 0.50 -1.72 0.00 0.00 179.24 179.57 3eey h LYS 56 N 0.20 0.89 -0.30 3.56 3.64 -1.99 -2.22 116.57 120.36 3eey h LYS 56 Ca 0.01 -0.14 -0.18 0.00 -1.27 0.00 0.00 60.65 59.07 3eey h LYS 56 Cb 0.95 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 3eey h LYS 56 CO 0.08 0.73 -0.51 0.00 -2.27 0.00 0.00 179.45 177.48 3eey h ALA 57 N 1.12 0.53 -0.64 5.00 0.00 -1.79 -2.14 119.26 121.33 3eey h ALA 57 Ca 0.21 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 3eey h ALA 57 Cb 0.14 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3eey h ALA 57 CO -0.02 0.68 0.12 0.82 0.00 0.00 0.00 179.25 180.85 3eey h ILE 58 N 0.66 1.26 -0.38 0.00 1.08 -1.45 -2.01 117.51 116.68 3eey h ILE 58 Ca 0.03 -1.00 -0.07 0.00 -0.39 0.00 0.00 64.86 63.42 3eey h ILE 58 Cb 1.11 0.66 -0.01 0.00 -3.07 0.00 0.00 36.82 35.50 3eey h ILE 58 CO 0.11 0.37 -0.06 0.00 -0.69 0.00 0.00 178.15 177.89 3eey h ALA 59 N 1.04 0.51 -0.43 1.87 0.00 -1.37 -0.45 119.26 120.44 3eey h ALA 59 Ca 0.20 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3eey h ALA 59 Cb 0.42 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3eey h ALA 59 CO 0.01 0.34 -0.02 -0.91 0.00 0.00 0.00 179.25 178.67 3eey h ASN 60 N 0.51 0.68 -0.22 0.00 2.35 -1.35 -0.36 115.58 117.19 3eey h ASN 60 Ca 0.10 -0.16 -0.19 0.00 -0.55 0.00 0.00 56.30 55.50 3eey h ASN 60 Cb 0.55 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.75 3eey h ASN 60 CO 0.03 0.76 -0.59 0.74 -1.65 0.00 0.00 177.43 176.71 3eey h THR 61 N 0.66 1.28 -0.56 2.81 2.02 -1.28 -1.57 112.91 116.28 3eey h THR 61 Ca 0.13 -1.79 -0.01 0.00 0.77 0.00 0.00 66.41 65.51 3eey h THR 61 Cb 0.44 1.71 -0.03 0.00 -1.74 0.00 0.00 68.15 68.53 3eey h THR 61 CO 0.02 0.58 0.30 0.74 0.37 0.00 0.00 175.52 177.53 3eey h THR 62 N 0.62 1.18 -0.11 3.16 2.02 -0.85 -1.77 112.91 117.16 3eey h THR 62 Ca 0.00 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 3eey h THR 62 Cb 1.20 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 3eey h THR 62 CO 0.13 0.20 0.07 0.50 0.37 0.00 0.00 175.52 176.78 3eey h LYS 63 N 0.75 0.16 0.12 6.66 3.64 -1.05 -2.14 116.57 124.71 3eey h LYS 63 Ca 0.20 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.58 3eey h LYS 63 Cb 0.05 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 3eey h LYS 63 CO -0.03 0.16 -0.36 0.87 -2.27 0.00 0.00 179.45 177.82 3eey h LYS 64 N 0.11 -0.57 -0.17 1.90 1.79 -1.19 -2.00 116.57 116.43 3eey h LYS 64 Ca 0.04 0.04 -0.09 0.00 -2.18 0.00 0.00 60.65 58.46 3eey h LYS 64 Cb 0.05 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 3eey h LYS 64 CO -0.01 -0.38 -0.29 -0.07 -1.08 0.00 0.00 179.45 177.62 3eey h LEU 65 N -0.59 0.34 -0.47 2.94 3.38 -1.32 -2.56 115.31 117.03 3eey h LEU 65 Ca 0.03 -0.12 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 3eey h LEU 65 Cb 0.62 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3eey h LEU 65 CO -0.22 0.63 -0.32 0.74 0.09 0.00 0.00 178.44 179.36 3eey h THR 66 N 0.30 1.27 -0.21 0.22 2.02 -1.38 0.52 112.91 115.66 3eey h THR 66 Ca 0.04 -1.49 -0.01 0.00 0.77 0.00 0.00 66.41 65.72 3eey h THR 66 Cb 0.67 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 3eey h THR 66 CO 0.05 0.50 0.08 -0.78 0.37 0.00 0.00 175.52 175.74 3eey h ASP 67 N 0.76 0.25 -0.58 4.18 3.58 -1.02 -2.68 116.42 120.91 3eey h ASP 67 Ca 0.08 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.51 3eey h ASP 67 Cb 0.90 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.89 3eey h ASP 67 CO 0.08 0.24 0.00 0.18 -2.88 0.00 0.00 179.24 176.86 3eey n LEU 68 N -4.45 3.85 -3.60 2.28 4.77 -0.99 -4.97 117.00 113.89 3eey n LEU 68 Ca 0.00 -2.16 -0.25 0.00 -0.03 0.00 0.00 56.01 53.57 3eey n LEU 68 Cb 0.12 -0.44 0.06 0.00 -2.33 0.00 0.00 43.42 40.83 3eey n LEU 68 CO 0.36 0.86 0.18 -3.20 -1.33 0.00 0.00 177.39 174.26 3eey n ASN 69 N 1.09 -5.97 -0.03 -1.43 2.85 -0.98 -4.91 115.26 105.88 3eey n ASN 69 Ca 0.21 -0.56 0.00 0.00 -0.11 0.00 0.00 54.58 54.12 3eey n ASN 69 Cb 0.64 -4.72 0.00 0.00 1.24 0.00 0.00 39.78 36.94 3eey n ASN 69 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3eey n LEU 70 N -4.81 0.73 0.31 1.20 4.77 0.18 -4.70 117.00 114.69 3eey n LEU 70 Ca 0.00 -0.83 0.20 0.00 -0.03 0.00 0.00 56.01 55.36 3eey n LEU 70 Cb 0.56 0.00 0.96 0.00 -2.33 0.00 0.00 43.42 42.61 3eey n LEU 70 CO 0.65 0.18 1.09 -0.29 -1.33 0.00 0.00 177.39 177.69 3eey h ILE 71 N 0.14 0.00 -0.70 -0.08 6.09 -1.76 -3.10 117.51 118.09 3eey h ILE 71 Ca 0.00 -0.25 0.08 0.00 -1.37 0.00 0.00 64.86 63.32 3eey h ILE 71 Cb 0.04 1.25 -0.07 0.00 0.47 0.00 0.00 36.82 38.51 3eey h ILE 71 CO 0.00 0.00 0.36 0.44 -3.07 0.00 0.00 178.15 175.88 3eey h ASP 72 N 0.00 0.49 0.38 2.19 3.32 -1.89 -3.03 116.42 117.88 3eey h ASP 72 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3eey h ASP 72 Cb 0.25 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3eey h ASP 72 CO 0.00 0.29 -0.84 -2.11 -1.72 0.00 0.00 179.24 174.87 3eey n ARG 73 N -4.84 0.14 -3.55 3.56 1.85 -1.17 -4.89 116.66 107.76 3eey n ARG 73 Ca 0.10 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.59 3eey n ARG 73 Cb 0.24 -1.55 -0.07 0.00 -1.05 0.00 0.00 32.46 30.03 3eey n ARG 73 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3eey s VAL 74 N -3.09 5.31 -0.44 8.89 1.01 -1.15 -2.13 120.40 128.80 3eey s VAL 74 Ca 0.07 0.48 -0.12 0.00 0.00 0.00 0.00 61.98 62.41 3eey s VAL 74 Cb 0.16 -3.61 0.07 0.00 0.00 0.00 0.00 36.38 33.00 3eey s VAL 74 CO 0.78 0.37 0.32 -0.89 0.00 0.00 0.00 175.10 175.68 3eey s THR 75 N 0.64 4.75 -0.08 3.92 2.01 0.53 -4.97 115.64 122.44 3eey s THR 75 Ca 0.15 -1.19 -0.22 0.00 0.31 0.00 0.00 61.69 60.74 3eey s THR 75 Cb -0.13 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 3eey s THR 75 CO 0.04 -0.52 0.63 -0.76 -0.69 0.00 0.00 174.62 173.32 3eey s LEU 76 N 1.54 4.31 -0.12 4.42 1.43 -1.26 -1.17 118.68 127.84 3eey s LEU 76 Ca 0.03 1.09 0.02 0.00 -1.03 0.00 0.00 54.13 54.24 3eey s LEU 76 Cb -0.23 -2.97 0.01 0.00 0.03 0.00 0.00 46.19 43.03 3eey s LEU 76 CO 0.05 -0.07 -0.16 -0.63 0.23 0.00 0.00 176.35 175.76 3eey s ILE 77 N 0.68 1.60 -1.14 -0.59 1.01 0.07 -4.95 121.20 117.88 3eey s ILE 77 Ca 0.34 -0.70 -0.15 0.00 0.00 0.00 0.00 60.65 60.14 3eey s ILE 77 Cb -0.17 -1.45 0.17 0.00 0.01 0.00 0.00 42.46 41.01 3eey s ILE 77 CO 0.16 0.46 1.34 -0.75 0.00 0.00 0.00 174.94 176.15 3eey s LYS 78 N 0.98 3.98 0.24 2.79 2.20 -1.26 -2.83 119.74 125.85 3eey s LYS 78 Ca -0.06 -2.43 -0.20 0.00 -0.36 0.00 0.00 55.97 52.93 3eey s LYS 78 Cb -0.15 -5.00 0.03 0.00 -1.51 0.00 0.00 37.83 31.20 3eey s LYS 78 CO -0.02 -1.74 0.63 0.34 -0.36 0.00 0.00 175.35 174.20 3eey s ASP 79 N 2.93 -0.29 0.49 1.43 2.15 -1.02 -4.96 116.67 117.41 3eey s ASP 79 Ca 0.40 -0.52 -0.21 0.00 0.43 0.00 0.00 52.55 52.65 3eey s ASP 79 Cb -0.04 0.66 -0.08 0.00 -0.30 0.00 0.00 42.92 43.17 3eey s ASP 79 CO -0.02 -1.20 1.09 -0.83 -0.17 0.00 0.00 175.17 174.03 3eey s GLY 80 N -2.89 2.61 0.39 2.66 0.00 -1.26 -3.56 107.32 105.27 3eey s GLY 80 Ca 0.10 0.74 0.28 0.00 0.00 0.00 0.00 44.72 45.84 3eey s GLY 80 CO 0.02 1.10 1.85 1.12 0.00 0.00 0.00 173.10 177.19 3eey h HIS 81 N 1.62 0.00 0.00 1.90 2.07 -1.92 -1.67 115.15 117.15 3eey h HIS 81 Ca -0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.02 3eey h HIS 81 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 3eey h HIS 81 CO 0.55 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 175.41 3eey n GLN 82 N -2.57 0.05 -0.64 5.12 0.00 -1.26 -2.50 117.38 115.58 3eey n GLN 82 Ca 0.01 0.35 0.01 0.00 0.00 0.00 0.00 57.00 57.37 3eey n GLN 82 Cb 0.21 -1.61 0.21 0.00 0.00 0.00 0.00 30.24 29.05 3eey n GLN 82 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3eey n ASN 83 N -1.72 2.90 0.25 2.61 3.02 -0.63 -4.60 115.26 117.10 3eey n ASN 83 Ca 0.02 -3.49 0.13 0.00 -0.03 0.00 0.00 54.58 51.21 3eey n ASN 83 Cb 0.15 -0.59 0.62 0.00 -0.61 0.00 0.00 39.78 39.34 3eey n ASN 83 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3eey h MET 84 N 1.18 0.00 0.00 3.52 -0.00 -1.63 -2.66 114.93 115.33 3eey h MET 84 Ca 0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.82 3eey h MET 84 Cb 1.54 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.14 3eey h MET 84 CO 0.31 0.14 -0.06 0.38 -0.00 0.00 0.00 176.91 177.68 3eey h ASP 85 N 0.00 0.00 1.06 -0.10 2.03 -1.86 -2.50 116.42 115.05 3eey h ASP 85 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3eey h ASP 85 Cb 0.55 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.05 3eey h ASP 85 CO 0.02 0.06 0.00 0.11 -1.03 0.00 0.00 179.24 178.40 3eey h LYS 86 N 0.00 0.00 0.00 4.15 1.57 -1.87 -3.31 116.57 117.11 3eey h LYS 86 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3eey h LYS 86 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3eey h LYS 86 CO 0.01 0.00 -1.06 0.66 -0.57 0.00 0.00 179.45 178.48 3eey n TYR 87 N -2.60 0.00 -5.10 -1.35 4.01 -1.05 -5.00 117.16 106.06 3eey n TYR 87 Ca 0.02 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.46 3eey n TYR 87 Cb 0.31 -0.06 -0.17 0.00 -0.31 0.00 0.00 39.34 39.11 3eey n TYR 87 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3eey s ILE 88 N -2.14 1.86 0.00 -0.72 1.01 -0.97 -5.00 121.20 115.24 3eey s ILE 88 Ca -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.72 3eey s ILE 88 Cb 0.02 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.88 3eey s ILE 88 CO 0.13 0.52 0.00 -0.90 0.00 0.00 0.00 174.94 174.68 3eey n ASP 89 N 3.39 1.46 -4.89 3.58 5.75 -1.26 -4.65 116.55 119.93 3eey n ASP 89 Ca -0.19 -0.22 -0.29 0.00 -0.01 0.00 0.00 54.79 54.08 3eey n ASP 89 Cb 0.53 0.73 -0.02 0.00 -1.03 0.00 0.00 41.12 41.32 3eey n ASP 89 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3eey s PRO 91 N -4.19 4.31 0.05 0.00 0.02 -1.26 -4.96 135.00 128.97 3eey s PRO 91 Ca 0.50 2.25 0.02 0.00 0.02 0.00 0.00 61.00 63.79 3eey s PRO 91 Cb -0.10 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.28 3eey s PRO 91 CO 0.37 -0.30 0.06 0.14 -0.33 0.00 0.00 177.00 176.94 3eey s VAL 92 N -0.57 4.47 -0.07 3.83 -7.23 0.16 -4.70 120.40 116.30 3eey s VAL 92 Ca 0.54 -0.67 -0.17 0.00 -1.81 0.00 0.00 61.98 59.86 3eey s VAL 92 Cb -0.40 -3.10 -0.29 0.00 0.56 0.00 0.00 36.38 33.14 3eey s VAL 92 CO 0.48 0.22 0.70 0.50 -0.31 0.00 0.00 175.10 176.69 3eey h LYS 93 N 3.67 0.30 -3.68 4.82 1.63 -1.20 -0.20 116.57 121.91 3eey h LYS 93 Ca -0.48 -0.50 -0.14 0.00 -0.85 0.00 0.00 60.65 58.67 3eey h LYS 93 Cb 1.17 0.19 -0.20 0.00 -0.60 0.00 0.00 32.23 32.79 3eey h LYS 93 CO 0.63 1.24 -0.54 0.00 -3.45 0.00 0.00 179.45 177.33 3eey s ALA 94 N -2.48 -0.17 -0.04 5.00 0.00 -1.25 -1.08 121.76 121.75 3eey s ALA 94 Ca -0.17 -0.34 0.01 0.00 0.00 0.00 0.00 51.96 51.47 3eey s ALA 94 Cb 0.03 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.32 3eey s ALA 94 CO 0.81 -0.23 -0.06 0.08 0.00 0.00 0.00 175.76 176.36 3eey s VAL 95 N -1.72 0.59 -0.20 0.00 1.01 -0.54 -0.77 120.40 118.77 3eey s VAL 95 Ca -0.12 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 3eey s VAL 95 Cb -0.06 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.71 3eey s VAL 95 CO -0.00 0.22 -0.03 -0.04 0.00 0.00 0.00 175.10 175.25 3eey s MET 96 N 0.66 3.52 -0.08 2.72 -1.94 -0.12 -1.65 119.30 122.40 3eey s MET 96 Ca -0.09 -0.57 0.02 0.00 -1.71 0.00 0.00 55.69 53.33 3eey s MET 96 Cb -0.12 -3.00 -0.02 0.00 2.01 0.00 0.00 34.83 33.69 3eey s MET 96 CO 0.00 -0.03 -0.12 -0.06 -0.01 0.00 0.00 175.02 174.81 3eey s PHE 97 N 1.06 2.80 -0.30 -0.03 0.08 0.19 -1.20 117.98 120.58 3eey s PHE 97 Ca 0.01 -0.28 -0.01 0.00 0.12 0.00 0.00 56.93 56.78 3eey s PHE 97 Cb -0.15 -1.73 0.10 0.00 -0.57 0.00 0.00 43.02 40.68 3eey s PHE 97 CO 0.01 0.08 0.10 1.21 -0.10 0.00 0.00 175.22 176.52 3eey s ASN 98 N -0.36 3.93 -0.17 1.36 3.84 -1.26 -1.44 114.94 120.85 3eey s ASN 98 Ca 0.04 -1.56 -0.19 0.00 0.21 0.00 0.00 52.86 51.36 3eey s ASN 98 Cb -0.12 -0.80 -0.03 0.00 -0.55 0.00 0.00 41.25 39.74 3eey s ASN 98 CO 0.02 -0.41 0.52 -0.76 -2.79 0.00 0.00 177.10 173.68 3eey s LEU 99 N 1.68 4.20 0.00 3.21 1.43 -0.14 -4.90 118.68 124.16 3eey s LEU 99 Ca 0.09 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 53.95 3eey s LEU 99 Cb -0.17 -2.74 0.00 0.00 0.03 0.00 0.00 46.19 43.31 3eey s LEU 99 CO -0.26 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 176.81 3eey n GLY 100 N 3.63 0.37 3.95 -3.19 0.00 -1.26 -2.93 105.19 105.76 3eey n GLY 100 Ca -0.05 -1.44 -0.24 0.00 0.00 0.00 0.00 46.02 44.29 3eey n GLY 100 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3eey s TYR 101 N -3.57 3.47 -0.26 1.61 1.13 -1.26 -2.64 117.35 115.82 3eey s TYR 101 Ca 0.00 0.08 -0.29 0.00 -1.41 0.00 0.00 57.07 55.45 3eey s TYR 101 Cb 0.00 -1.65 0.00 0.00 -1.10 0.00 0.00 41.96 39.22 3eey s TYR 101 CO 0.00 0.46 1.18 -1.17 -2.51 0.00 0.00 175.55 173.50 3eey s LEU 102 N -3.61 4.01 0.29 -3.49 2.96 -1.26 -5.01 118.68 112.58 3eey s LEU 102 Ca 0.35 1.32 -0.29 0.00 -0.22 0.00 0.00 54.13 55.28 3eey s LEU 102 Cb -0.10 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.95 3eey s LEU 102 CO 0.29 -0.87 1.22 -2.84 -1.32 0.00 0.00 176.35 172.84 3eey s PRO 103 N 3.67 4.47 -0.90 0.98 0.02 -1.26 -2.91 135.00 139.08 3eey s PRO 103 Ca 0.50 2.03 -0.05 0.00 0.02 0.00 0.00 61.00 63.51 3eey s PRO 103 Cb -0.16 -3.13 -0.05 0.00 0.02 0.00 0.00 34.50 31.17 3eey s PRO 103 CO 0.15 -0.04 0.79 0.45 -0.33 0.00 0.00 177.00 178.03 3eey n SER 104 N 1.18 -6.31 0.00 2.53 2.88 -1.26 -5.01 113.62 107.63 3eey n SER 104 Ca 0.00 -0.55 0.00 0.00 -1.33 0.00 0.00 58.87 56.99 3eey n SER 104 Cb 0.43 -4.73 0.00 0.00 -0.75 0.00 0.00 64.21 59.16 3eey n SER 104 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3eey n GLY 105 N -1.32 2.15 3.43 0.46 0.00 -1.15 -5.12 105.19 103.64 3eey n GLY 105 Ca -0.05 -0.09 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 3eey n GLY 105 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3eey s ASP 106 N 2.00 6.13 0.45 1.61 -1.08 -1.26 -4.96 116.67 119.56 3eey s ASP 106 Ca 0.00 -1.10 0.28 0.00 -0.52 0.00 0.00 52.55 51.20 3eey s ASP 106 Cb 0.00 -2.17 0.84 0.00 -1.46 0.00 0.00 42.92 40.13 3eey s ASP 106 CO 0.00 -0.55 1.78 0.45 0.52 0.00 0.00 175.17 177.37 3eey h HIS 107 N 8.69 0.00 0.00 -5.34 3.86 -1.97 -2.87 115.15 117.52 3eey h HIS 107 Ca -0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 3eey h HIS 107 Cb 1.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.59 3eey h HIS 107 CO 0.59 0.00 -0.53 0.66 0.86 0.00 0.00 177.93 179.52 3eey h SER 108 N 0.00 0.00 -3.09 2.45 4.64 -1.93 -3.42 113.55 112.21 3eey h SER 108 Ca 0.00 -0.07 -0.62 0.00 -0.47 0.00 0.00 61.79 60.63 3eey h SER 108 Cb 0.73 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.70 3eey h SER 108 CO 0.00 0.04 0.54 -0.63 -0.87 0.00 0.00 176.83 175.91 3eey s ILE 109 N -3.23 4.39 0.26 0.95 1.01 -1.08 -5.02 121.20 118.48 3eey s ILE 109 Ca 0.05 0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.83 3eey s ILE 109 Cb 0.10 -4.56 -0.05 0.00 0.01 0.00 0.00 42.46 37.96 3eey s ILE 109 CO 0.72 -1.18 0.10 -0.94 0.00 0.00 0.00 174.94 173.64 3eey s SER 110 N 3.01 1.23 0.49 3.58 1.04 -1.26 -4.36 113.70 117.42 3eey s SER 110 Ca 0.28 -1.40 -0.24 0.00 0.48 0.00 0.00 55.95 55.08 3eey s SER 110 Cb -0.14 0.18 -0.07 0.00 0.10 0.00 0.00 66.02 66.09 3eey s SER 110 CO 0.17 -0.74 1.38 0.42 0.98 0.00 0.00 173.24 175.45 3eey s THR 111 N -3.74 2.15 0.08 2.02 -4.23 -1.08 -4.98 115.64 105.86 3eey s THR 111 Ca 0.38 0.13 0.07 0.00 -1.18 0.00 0.00 61.69 61.08 3eey s THR 111 Cb 0.08 -3.07 -0.04 0.00 1.34 0.00 0.00 72.50 70.81 3eey s THR 111 CO 0.14 0.01 -0.14 -0.13 -0.54 0.00 0.00 174.62 173.96 3eey s ARG 112 N -2.63 2.07 0.20 3.99 0.52 -1.26 -4.81 118.95 117.02 3eey s ARG 112 Ca 0.65 -1.02 -0.11 0.00 -0.52 0.00 0.00 55.73 54.73 3eey s ARG 112 Cb -0.41 -2.25 0.20 0.00 0.52 0.00 0.00 34.95 33.01 3eey s ARG 112 CO 0.51 0.52 1.79 -1.35 0.02 0.00 0.00 175.30 176.79 3eey h PRO 113 N 3.98 0.54 -0.15 3.54 0.11 -1.94 -1.02 132.00 137.06 3eey h PRO 113 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3eey h PRO 113 Cb 1.16 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3eey h PRO 113 CO 0.50 0.36 0.09 1.49 -0.21 0.00 0.00 178.00 180.22 3eey h GLU 114 N 0.55 0.19 -0.00 1.05 4.81 -1.98 -0.81 114.58 118.40 3eey h GLU 114 Ca 0.27 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.32 3eey h GLU 114 Cb 0.20 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3eey h GLU 114 CO -0.19 0.12 -0.79 1.79 -0.73 0.00 0.00 179.01 179.21 3eey h THR 115 N 0.19 1.55 -0.24 0.32 1.35 -1.97 -2.53 112.91 111.59 3eey h THR 115 Ca 0.05 -2.66 -0.03 0.00 -0.55 0.00 0.00 66.41 63.22 3eey h THR 115 Cb -0.02 2.44 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 3eey h THR 115 CO -0.02 0.76 0.04 0.74 -0.25 0.00 0.00 175.52 176.80 3eey h THR 116 N 0.01 1.23 -0.49 6.82 2.02 -0.98 -0.95 112.91 120.57 3eey h THR 116 Ca -0.01 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.42 3eey h THR 116 Cb 1.39 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 69.05 3eey h THR 116 CO 0.11 0.24 0.32 0.40 0.37 0.00 0.00 175.52 176.95 3eey h ILE 117 N 0.20 1.13 -0.00 3.11 2.04 -1.15 0.61 117.51 123.45 3eey h ILE 117 Ca 0.07 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.70 3eey h ILE 117 Cb 0.32 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 3eey h ILE 117 CO 0.00 0.13 -0.19 1.56 0.00 0.00 0.00 178.15 179.65 3eey h GLN 118 N 0.67 -0.30 -0.99 2.37 4.20 -1.42 -1.21 115.11 118.44 3eey h GLN 118 Ca 0.18 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.97 3eey h GLN 118 Cb -0.06 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.72 3eey h GLN 118 CO -0.04 -0.20 0.64 0.00 -0.67 0.00 0.00 178.83 178.56 3eey h ALA 119 N 0.60 1.42 -0.40 3.87 0.00 -0.87 -1.22 119.26 122.66 3eey h ALA 119 Ca 0.06 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3eey h ALA 119 Cb 0.38 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3eey h ALA 119 CO -0.18 0.44 -0.10 -0.07 0.00 0.00 0.00 179.25 179.34 3eey h LEU 120 N 1.16 0.69 -0.52 0.00 3.38 -0.47 0.17 115.31 119.72 3eey h LEU 120 Ca 0.42 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 3eey h LEU 120 Cb 0.16 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3eey h LEU 120 CO -0.16 0.83 -0.02 0.28 0.09 0.00 0.00 178.44 179.46 3eey h SER 121 N 0.65 0.91 -0.35 -0.43 0.02 -0.75 -0.32 113.55 113.27 3eey h SER 121 Ca 0.11 -0.31 -0.04 0.00 -0.84 0.00 0.00 61.79 60.71 3eey h SER 121 Cb 0.55 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 3eey h SER 121 CO 0.03 1.00 0.08 0.11 -1.14 0.00 0.00 176.83 176.91 3eey h LYS 122 N 0.79 0.57 -0.72 3.45 1.79 -0.88 -1.77 116.57 119.81 3eey h LYS 122 Ca 0.14 -0.14 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 3eey h LYS 122 Cb 0.55 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.09 3eey h LYS 122 CO 0.03 0.63 0.36 0.00 -1.08 0.00 0.00 179.45 179.38 3eey h ALA 123 N 0.92 0.93 -0.25 3.86 0.00 -0.61 -0.63 119.26 123.48 3eey h ALA 123 Ca 0.11 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3eey h ALA 123 Cb 0.32 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3eey h ALA 123 CO 0.00 0.48 -0.17 0.52 0.00 0.00 0.00 179.25 180.08 3eey h MET 124 N 1.00 0.43 -0.27 0.00 2.86 -0.96 -1.44 114.93 116.55 3eey h MET 124 Ca 0.25 -0.13 -0.19 0.00 -2.06 0.00 0.00 59.70 57.57 3eey h MET 124 Cb 0.10 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3eey h MET 124 CO -0.03 0.59 -0.58 0.93 1.06 0.00 0.00 176.91 178.88 3eey h GLU 125 N 0.40 0.86 0.00 1.72 5.08 -1.07 -3.27 114.58 118.30 3eey h GLU 125 Ca 0.07 -0.57 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3eey h GLU 125 Cb 0.53 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3eey h GLU 125 CO 0.03 1.20 0.00 -0.07 -1.00 0.00 0.00 179.01 179.17 3eey h LEU 126 N 0.65 0.00 -9.89 1.33 3.38 -0.84 -3.46 115.31 106.48 3eey h LEU 126 Ca 0.01 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.45 3eey h LEU 126 Cb 1.19 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.02 3eey h LEU 126 CO 0.13 0.00 0.70 -0.76 0.09 0.00 0.00 178.44 178.60 3eey s LEU 127 N -5.97 4.38 0.49 1.67 1.43 -0.57 -0.67 118.68 119.45 3eey s LEU 127 Ca 0.04 2.82 -0.19 0.00 -1.03 0.00 0.00 54.13 55.76 3eey s LEU 127 Cb 0.08 -3.65 -0.09 0.00 0.03 0.00 0.00 46.19 42.56 3eey s LEU 127 CO 0.57 -0.67 1.00 0.54 0.23 0.00 0.00 176.35 178.02 3eey s VAL 128 N -1.04 4.13 0.10 -1.59 0.11 -0.09 -4.74 120.40 117.29 3eey s VAL 128 Ca 0.51 1.22 -0.33 0.00 -2.93 0.00 0.00 61.98 60.46 3eey s VAL 128 Cb -0.42 -3.54 -0.12 0.00 -1.53 0.00 0.00 36.38 30.76 3eey s VAL 128 CO 0.56 -0.39 1.76 0.35 -3.33 0.00 0.00 175.10 174.05 3eey n THR 129 N -1.12 0.26 -0.33 5.04 -2.24 -1.26 -0.71 114.28 113.92 3eey n THR 129 Ca 0.08 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3eey n THR 129 Cb 0.53 -1.88 0.00 0.00 -2.10 0.00 0.00 70.33 66.88 3eey n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3eey n GLY 130 N 3.99 0.76 3.93 3.38 0.00 0.18 -4.99 105.19 112.45 3eey n GLY 130 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 3eey n GLY 130 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3eey s GLY 131 N -1.72 1.53 -0.02 -0.02 0.00 0.11 -4.86 107.32 102.35 3eey s GLY 131 Ca 0.00 -0.80 0.05 0.00 0.00 0.00 0.00 44.72 43.97 3eey s GLY 131 CO 0.00 -0.61 -0.16 -1.50 0.00 0.00 0.00 173.10 170.83 3eey s ILE 132 N -2.70 1.30 -0.16 0.90 1.10 -0.24 -1.51 121.20 119.89 3eey s ILE 132 Ca 0.49 -0.70 -0.01 0.00 -0.51 0.00 0.00 60.65 59.92 3eey s ILE 132 Cb -0.10 -1.08 -0.01 0.00 0.15 0.00 0.00 42.46 41.42 3eey s ILE 132 CO 0.41 0.37 -0.13 -0.63 -2.11 0.00 0.00 174.94 172.85 3eey s ILE 133 N -0.34 2.87 -0.07 2.00 1.01 0.22 -1.47 121.20 125.43 3eey s ILE 133 Ca 0.05 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 59.98 3eey s ILE 133 Cb -0.07 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 3eey s ILE 133 CO -0.00 0.50 0.03 0.42 0.00 0.00 0.00 174.94 175.89 3eey s THR 134 N 0.82 4.53 -0.19 2.92 -4.23 -0.66 0.16 115.64 119.00 3eey s THR 134 Ca -0.04 -0.25 -0.02 0.00 -1.18 0.00 0.00 61.69 60.20 3eey s THR 134 Cb -0.15 -2.96 0.06 0.00 1.34 0.00 0.00 72.50 70.79 3eey s THR 134 CO 0.00 0.54 0.02 -0.69 -0.54 0.00 0.00 174.62 173.95 3eey s VAL 135 N -0.98 0.66 -0.37 2.29 1.01 0.21 -0.64 120.40 122.57 3eey s VAL 135 Ca 0.16 -0.62 -0.19 0.00 0.00 0.00 0.00 61.98 61.33 3eey s VAL 135 Cb -0.12 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.16 3eey s VAL 135 CO 0.05 -0.17 0.54 -0.69 0.00 0.00 0.00 175.10 174.83 3eey s VAL 136 N 1.80 4.98 -0.37 2.92 1.01 -0.52 -0.85 120.40 129.37 3eey s VAL 136 Ca -0.01 0.25 -0.12 0.00 0.00 0.00 0.00 61.98 62.09 3eey s VAL 136 Cb -0.17 -4.02 0.01 0.00 0.00 0.00 0.00 36.38 32.19 3eey s VAL 136 CO -0.08 -0.31 0.23 -0.63 0.00 0.00 0.00 175.10 174.31 3eey s ILE 137 N 2.47 4.98 -0.16 2.22 1.01 0.14 -0.96 121.20 130.89 3eey s ILE 137 Ca 0.19 -0.55 -0.16 0.00 0.00 0.00 0.00 60.65 60.13 3eey s ILE 137 Cb -0.15 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 3eey s ILE 137 CO 0.14 -0.15 0.40 -0.31 0.00 0.00 0.00 174.94 175.03 3eey s TYR 138 N 1.65 3.44 0.06 3.97 2.02 -1.15 -1.99 117.35 125.35 3eey s TYR 138 Ca 0.04 0.70 0.00 0.00 -0.37 0.00 0.00 57.07 57.45 3eey s TYR 138 Cb -0.18 -2.49 -0.04 0.00 -0.40 0.00 0.00 41.96 38.85 3eey s TYR 138 CO 0.09 0.11 -0.04 1.52 -1.57 0.00 0.00 175.55 175.66 3eey s TYR 139 N 0.86 0.60 0.07 2.71 1.13 -1.26 -4.72 117.35 116.74 3eey s TYR 139 Ca 0.21 -0.92 0.00 0.00 -1.41 0.00 0.00 57.07 54.94 3eey s TYR 139 Cb -0.14 -0.40 0.00 0.00 -1.10 0.00 0.00 41.96 40.31 3eey s TYR 139 CO 0.08 -0.27 0.00 0.41 -2.51 0.00 0.00 175.55 173.25 3eey n GLY 140 N 0.34 -1.98 7.00 5.49 0.00 0.24 -4.81 105.19 111.46 3eey n GLY 140 Ca -0.15 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3eey n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3eey n GLY 141 N -2.64 1.21 0.03 -0.02 0.00 -1.26 -2.88 105.19 99.62 3eey n GLY 141 Ca -0.00 -0.71 0.10 0.00 0.00 0.00 0.00 46.02 45.41 3eey n GLY 141 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3eey n ASP 142 N 3.69 0.17 0.02 1.61 9.92 -1.26 -3.47 116.55 127.23 3eey n ASP 142 Ca 0.00 0.53 -0.12 0.00 -0.53 0.00 0.00 54.79 54.67 3eey n ASP 142 Cb 0.00 -0.57 -0.09 0.00 -0.64 0.00 0.00 41.12 39.82 3eey n ASP 142 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 3eey h THR 143 N 0.00 1.15 0.00 -3.53 2.02 -1.85 -3.47 112.91 107.22 3eey h THR 143 Ca 0.00 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 65.96 3eey h THR 143 Cb 0.39 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 3eey h THR 143 CO 0.00 0.28 0.00 0.61 0.37 0.00 0.00 175.52 176.78 3eey n GLY 144 N 0.50 1.45 0.00 2.16 0.00 -1.23 -4.84 105.19 103.23 3eey n GLY 144 Ca -0.08 -2.16 0.06 0.00 0.00 0.00 0.00 46.02 43.83 3eey n GLY 144 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3eey n PHE 145 N -0.18 0.00 0.32 1.61 3.72 -1.26 0.80 117.46 122.47 3eey n PHE 145 Ca 0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.23 3eey n PHE 145 Cb 0.00 -0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.45 3eey n PHE 145 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3eey h GLU 146 N 0.00 -0.75 0.19 -1.08 4.81 -2.00 -2.70 114.58 113.05 3eey h GLU 146 Ca 0.00 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3eey h GLU 146 Cb 0.30 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 3eey h GLU 146 CO 0.00 -0.50 -0.18 1.49 -0.73 0.00 0.00 179.01 179.09 3eey h GLU 147 N -0.78 -0.39 -0.52 1.92 4.81 -1.90 -1.74 114.58 115.98 3eey h GLU 147 Ca -0.08 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.28 3eey h GLU 147 Cb 0.60 0.09 -0.09 0.00 0.63 0.00 0.00 28.75 29.97 3eey h GLU 147 CO 0.12 -0.26 -0.07 -0.22 -0.73 0.00 0.00 179.01 177.85 3eey h LYS 148 N -0.40 0.04 -0.36 1.92 3.64 -1.89 -0.40 116.57 119.13 3eey h LYS 148 Ca -0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3eey h LYS 148 Cb 0.37 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 3eey h LYS 148 CO -0.04 0.03 0.19 0.93 -2.27 0.00 0.00 179.45 178.29 3eey h GLU 149 N 0.05 0.50 0.02 1.90 5.08 -1.12 -1.26 114.58 119.74 3eey h GLU 149 Ca 0.26 -0.06 -0.25 0.00 -1.00 0.00 0.00 59.36 58.31 3eey h GLU 149 Cb 0.40 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.56 3eey h GLU 149 CO -0.49 0.42 -1.03 0.87 -1.00 0.00 0.00 179.01 177.78 3eey h LYS 150 N 0.45 0.52 -0.42 2.33 1.57 -1.10 -1.47 116.57 118.44 3eey h LYS 150 Ca 0.13 -0.59 -0.02 0.00 -1.87 0.00 0.00 60.65 58.30 3eey h LYS 150 Cb 0.06 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 3eey h LYS 150 CO -0.02 1.21 0.19 0.28 -0.57 0.00 0.00 179.45 180.54 3eey h VAL 151 N 0.28 1.19 -0.50 0.50 2.07 -1.07 -0.31 116.25 118.41 3eey h VAL 151 Ca -0.11 -0.55 -0.09 0.00 0.82 0.00 0.00 66.70 66.77 3eey h VAL 151 Cb 1.68 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 3eey h VAL 151 CO 0.19 0.21 -0.04 -0.07 0.02 0.00 0.00 177.57 177.87 3eey h LEU 152 N 0.54 0.86 -0.81 2.57 3.38 -1.24 -0.95 115.31 119.66 3eey h LEU 152 Ca 0.14 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 3eey h LEU 152 Cb 0.15 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3eey h LEU 152 CO -0.02 0.95 0.14 -0.08 0.09 0.00 0.00 178.44 179.52 3eey h GLU 153 N 0.81 1.03 -0.24 1.13 4.81 -1.03 -1.21 114.58 119.87 3eey h GLU 153 Ca 0.14 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 3eey h GLU 153 Cb 0.54 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3eey h GLU 153 CO 0.03 0.92 0.05 0.35 -0.73 0.00 0.00 179.01 179.64 3eey h PHE 154 N 0.97 0.42 0.00 0.92 3.57 -0.90 -3.24 116.94 118.68 3eey h PHE 154 Ca 0.20 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 3eey h PHE 154 Cb 0.37 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 3eey h PHE 154 CO 0.03 0.50 -0.28 -0.07 -2.23 0.00 0.00 178.31 176.25 3eey h LEU 155 N 0.21 0.00 -2.00 0.59 3.38 -0.90 -1.87 115.31 114.73 3eey h LEU 155 Ca 0.08 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.08 3eey h LEU 155 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3eey h LEU 155 CO 0.00 0.28 0.09 0.11 0.09 0.00 0.00 178.44 179.02 3eey h LYS 156 N 0.00 0.00 0.00 1.13 1.57 -1.25 -2.75 116.57 115.27 3eey h LYS 156 Ca -0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3eey h LYS 156 Cb 0.67 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 3eey h LYS 156 CO 0.04 0.00 -0.20 0.41 -0.57 0.00 0.00 179.45 179.13 3eey n GLY 157 N -1.56 -1.53 3.74 3.86 0.00 -0.70 -4.91 105.19 104.07 3eey n GLY 157 Ca 0.00 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3eey n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3eey s VAL 158 N -3.07 2.45 -0.06 1.61 1.01 -1.04 -4.90 120.40 116.40 3eey s VAL 158 Ca 0.11 0.35 -0.32 0.00 0.00 0.00 0.00 61.98 62.12 3eey s VAL 158 Cb 0.15 -3.23 -0.10 0.00 0.00 0.00 0.00 36.38 33.21 3eey s VAL 158 CO 0.62 0.05 1.97 -0.67 0.00 0.00 0.00 175.10 177.06 3eey n ASP 159 N 2.95 3.70 0.29 3.32 2.03 -1.26 -4.88 116.55 122.69 3eey n ASP 159 Ca 0.10 0.84 0.18 0.00 0.52 0.00 0.00 54.79 56.43 3eey n ASP 159 Cb 0.39 -1.45 0.76 0.00 -0.72 0.00 0.00 41.12 40.09 3eey n ASP 159 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 3eey h GLN 160 N 10.54 0.00 0.00 -0.67 3.07 -1.91 0.21 115.11 126.35 3eey h GLN 160 Ca -0.48 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.23 3eey h GLN 160 Cb 1.26 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.81 3eey h GLN 160 CO 0.95 0.00 -0.14 0.87 0.09 0.00 0.00 178.83 180.60 3eey h LYS 161 N 0.00 0.00 0.00 0.06 1.79 -2.01 -3.35 116.57 113.06 3eey h LYS 161 Ca -0.00 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.24 3eey h LYS 161 Cb 0.45 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.06 3eey h LYS 161 CO 0.00 0.14 -1.85 1.63 -1.08 0.00 0.00 179.45 178.29 3eey n LYS 162 N -3.23 1.21 -4.26 3.15 4.76 -0.81 -4.21 118.16 114.77 3eey n LYS 162 Ca 0.01 0.04 -0.17 0.00 -2.87 0.00 0.00 58.31 55.32 3eey n LYS 162 Cb 0.44 -1.31 -0.14 0.00 -1.84 0.00 0.00 35.03 32.19 3eey n LYS 162 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3eey s PHE 163 N -2.30 0.74 -0.25 2.13 0.08 -0.00 -0.33 117.98 118.05 3eey s PHE 163 Ca -0.13 -0.22 -0.17 0.00 0.12 0.00 0.00 56.93 56.53 3eey s PHE 163 Cb 0.04 -0.47 -0.03 0.00 -0.57 0.00 0.00 43.02 42.00 3eey s PHE 163 CO 0.42 -0.02 0.48 0.42 -0.10 0.00 0.00 175.22 176.43 3eey s ILE 164 N -0.46 5.10 -0.25 0.64 1.01 0.23 -4.14 121.20 123.33 3eey s ILE 164 Ca 0.01 0.82 -0.03 0.00 0.00 0.00 0.00 60.65 61.45 3eey s ILE 164 Cb -0.05 -3.80 0.02 0.00 0.01 0.00 0.00 42.46 38.65 3eey s ILE 164 CO 0.00 0.12 -0.04 -0.69 0.00 0.00 0.00 174.94 174.33 3eey s VAL 165 N 2.11 3.07 -0.11 2.92 1.01 -1.26 -1.08 120.40 127.07 3eey s VAL 165 Ca 0.20 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.25 3eey s VAL 165 Cb -0.16 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 3eey s VAL 165 CO 0.09 0.19 -0.16 -1.58 0.00 0.00 0.00 175.10 173.64 3eey s GLN 166 N 1.36 3.13 -0.16 2.72 0.74 -0.08 -4.97 119.66 122.39 3eey s GLN 166 Ca 0.01 -0.74 -0.04 0.00 0.05 0.00 0.00 55.36 54.65 3eey s GLN 166 Cb -0.17 -2.50 -0.03 0.00 1.10 0.00 0.00 33.01 31.42 3eey s GLN 166 CO -0.03 0.28 -0.04 0.50 -0.55 0.00 0.00 175.29 175.45 3eey s ARG 167 N 0.14 3.63 -0.14 1.67 3.52 -1.26 -0.84 118.95 125.67 3eey s ARG 167 Ca -0.08 -0.54 -0.00 0.00 -0.13 0.00 0.00 55.73 54.98 3eey s ARG 167 Cb -0.15 -2.91 -0.01 0.00 -1.56 0.00 0.00 34.95 30.32 3eey s ARG 167 CO 0.05 0.20 -0.13 0.99 -0.81 0.00 0.00 175.30 175.60 3eey s THR 168 N 0.47 2.92 -0.07 4.11 2.01 0.23 -5.02 115.64 120.29 3eey s THR 168 Ca -0.04 -0.70 -0.04 0.00 0.31 0.00 0.00 61.69 61.23 3eey s THR 168 Cb -0.14 -2.23 0.04 0.00 0.01 0.00 0.00 72.50 70.17 3eey s THR 168 CO 0.03 0.52 0.16 -0.62 -0.69 0.00 0.00 174.62 174.02 3eey s ASP 169 N 0.57 -0.14 -0.63 3.53 -1.08 -1.26 -2.08 116.67 115.57 3eey s ASP 169 Ca -0.08 0.34 -0.18 0.00 -0.52 0.00 0.00 52.55 52.11 3eey s ASP 169 Cb -0.16 0.24 0.12 0.00 -1.46 0.00 0.00 42.92 41.67 3eey s ASP 169 CO 0.03 -0.14 0.71 -0.36 0.52 0.00 0.00 175.17 175.94 3eey s PHE 170 N 1.04 3.12 -1.41 -5.34 0.08 -1.26 -4.94 117.98 109.27 3eey s PHE 170 Ca -0.08 -1.15 0.27 0.00 0.12 0.00 0.00 56.93 56.09 3eey s PHE 170 Cb -0.10 -3.99 0.85 0.00 -0.57 0.00 0.00 43.02 39.21 3eey s PHE 170 CO -0.06 -1.24 1.63 0.44 -0.10 0.00 0.00 175.22 175.89 3eey n ILE 171 N 5.34 0.00 0.44 0.64 -5.35 -1.26 -3.30 119.36 115.87 3eey n ILE 171 Ca -0.05 -0.06 0.09 0.00 -0.27 0.00 0.00 62.75 62.46 3eey n ILE 171 Cb 0.43 0.13 0.12 0.00 -1.74 0.00 0.00 39.64 38.58 3eey n ILE 171 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3eey n ASN 172 N -1.08 2.77 -4.86 7.28 6.94 -1.26 -4.97 115.26 120.08 3eey n ASN 172 Ca 0.10 -1.81 -0.36 0.00 -0.02 0.00 0.00 54.58 52.49 3eey n ASN 172 Cb 0.32 -0.11 -0.06 0.00 -2.36 0.00 0.00 39.78 37.58 3eey n ASN 172 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3eey s GLN 173 N -1.34 3.79 0.59 -3.83 -0.21 -1.21 -5.10 119.66 112.35 3eey s GLN 173 Ca 0.25 0.23 0.07 0.00 0.02 0.00 0.00 55.36 55.94 3eey s GLN 173 Cb 0.16 -3.10 0.09 0.00 1.00 0.00 0.00 33.01 31.16 3eey s GLN 173 CO 0.23 0.63 0.81 0.00 -2.12 0.00 0.00 175.29 174.83 3eey s ALA 174 N -1.25 4.50 -1.20 6.09 0.00 -1.26 -4.68 121.76 123.95 3eey s ALA 174 Ca 0.28 -2.01 -0.01 0.00 0.00 0.00 0.00 51.96 50.22 3eey s ALA 174 Cb -0.15 -1.59 -0.00 0.00 0.00 0.00 0.00 23.12 21.38 3eey s ALA 174 CO 0.15 -0.91 0.95 -1.71 0.00 0.00 0.00 175.76 174.25 3eey n ASN 175 N -2.31 -2.26 -3.53 0.00 5.15 -1.26 -4.25 115.26 106.79 3eey n ASN 175 Ca 0.15 -0.65 -0.21 0.00 -0.60 0.00 0.00 54.58 53.26 3eey n ASN 175 Cb 0.61 -4.99 0.01 0.00 -0.53 0.00 0.00 39.78 34.88 3eey n ASN 175 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3eey s PRO 177 N -3.94 4.34 0.39 0.00 0.04 -1.26 -4.75 135.00 129.82 3eey s PRO 177 Ca 0.09 2.16 -0.27 0.00 0.04 0.00 0.00 61.00 63.03 3eey s PRO 177 Cb -0.01 -3.15 -0.11 0.00 0.04 0.00 0.00 34.50 31.27 3eey s PRO 177 CO 0.86 -0.32 1.31 -2.30 0.04 0.00 0.00 177.00 176.58 3eey n PRO 178 N 2.47 2.09 -3.98 0.56 -0.02 -1.26 -4.88 135.00 129.98 3eey n PRO 178 Ca 0.06 0.74 -0.36 0.00 -2.02 0.00 0.00 63.50 61.93 3eey n PRO 178 Cb 0.42 -2.41 -0.06 0.00 -0.02 0.00 0.00 33.50 31.42 3eey n PRO 178 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3eey s ILE 179 N -1.16 5.25 -0.18 4.25 1.01 -0.84 -4.55 121.20 124.97 3eey s ILE 179 Ca 0.58 0.02 -0.05 0.00 0.00 0.00 0.00 60.65 61.20 3eey s ILE 179 Cb -0.52 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 3eey s ILE 179 CO 0.60 0.54 -0.01 -0.22 0.00 0.00 0.00 174.94 175.85 3eey s LEU 180 N -1.24 3.28 -0.14 2.97 2.96 -0.88 -0.68 118.68 124.94 3eey s LEU 180 Ca 0.18 -0.16 -0.00 0.00 -0.22 0.00 0.00 54.13 53.92 3eey s LEU 180 Cb -0.12 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 3eey s LEU 180 CO 0.07 0.11 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.39 3eey s VAL 181 N 0.74 3.01 -0.19 1.68 1.01 -0.03 -0.60 120.40 126.02 3eey s VAL 181 Ca -0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 3eey s VAL 181 Cb -0.14 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 3eey s VAL 181 CO 0.02 0.52 -0.08 0.00 0.00 0.00 0.00 175.10 175.56 3eey s ILE 183 N 1.09 3.68 -0.13 0.00 1.01 0.12 -0.90 121.20 126.07 3eey s ILE 183 Ca 0.01 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.25 3eey s ILE 183 Cb -0.15 -2.71 -0.00 0.00 0.01 0.00 0.00 42.46 39.61 3eey s ILE 183 CO -0.01 0.37 -0.20 -0.70 0.00 0.00 0.00 174.94 174.39 3eey s GLU 184 N 1.52 3.13 -0.04 2.79 2.12 -0.24 0.73 118.70 128.71 3eey s GLU 184 Ca 0.06 -0.81 -0.30 0.00 0.36 0.00 0.00 54.97 54.27 3eey s GLU 184 Cb -0.15 -2.46 -0.03 0.00 0.26 0.00 0.00 34.13 31.76 3eey s GLU 184 CO -0.01 0.10 1.07 0.21 -0.54 0.00 0.00 175.26 176.10 3eey s LYS 185 N 0.56 4.45 -0.00 4.30 2.20 -0.57 -0.60 119.74 130.08 3eey s LYS 185 Ca -0.12 1.52 0.02 0.00 -0.36 0.00 0.00 55.97 57.04 3eey s LYS 185 Cb -0.16 -3.49 -0.03 0.00 -1.51 0.00 0.00 37.83 32.64 3eey s LYS 185 CO 0.04 -0.25 0.06 0.44 -0.36 0.00 0.00 175.35 175.28 3eey n ILE 186 N 4.27 0.00 -3.81 5.43 -5.35 0.56 0.51 119.36 120.96 3eey n ILE 186 Ca 0.08 -0.20 -0.10 0.00 -0.27 0.00 0.00 62.75 62.26 3eey n ILE 186 Cb 0.48 0.65 -0.08 0.00 -1.74 0.00 0.00 39.64 38.96 3eey n ILE 186 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3eey s SER 187 N -1.86 -0.00 -0.01 7.28 0.15 -1.07 -4.85 113.70 113.33 3eey s SER 187 Ca -0.00 -0.39 -0.15 0.00 0.70 0.00 0.00 55.95 56.11 3eey s SER 187 Cb 0.01 0.33 -0.06 0.00 -1.71 0.00 0.00 66.02 64.60 3eey s SER 187 CO 0.09 -0.64 0.41 -1.61 1.20 0.00 0.00 173.24 172.70 3eey s GLU 188 N -2.98 3.95 0.00 5.44 0.41 -1.26 -4.76 118.70 119.51 3eey s GLU 188 Ca -0.02 0.41 0.00 0.00 -0.41 0.00 0.00 54.97 54.95 3eey s GLU 188 Cb 0.01 -3.24 0.00 0.00 -1.78 0.00 0.00 34.13 29.12 3eey s GLU 188 CO -0.06 0.65 0.00 0.41 -0.49 0.00 0.00 175.26 175.77