#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3eey s THR 2 N 0.00 4.37 0.09 1.96 2.01 -1.26 -5.08 115.64 117.74 3eey s THR 2 Ca 0.00 -0.20 -0.31 0.00 0.31 0.00 0.00 61.69 61.49 3eey s THR 2 Cb 0.00 -2.89 -0.09 0.00 0.01 0.00 0.00 72.50 69.53 3eey s THR 2 CO 0.00 0.55 1.63 -0.63 -0.69 0.00 0.00 174.62 175.48 3eey s ILE 3 N -0.31 2.93 0.60 1.82 1.01 -1.26 -5.00 121.20 120.99 3eey s ILE 3 Ca 0.07 0.47 -0.12 0.00 0.00 0.00 0.00 60.65 61.07 3eey s ILE 3 Cb -0.12 -3.30 -0.05 0.00 0.01 0.00 0.00 42.46 39.00 3eey s ILE 3 CO 0.02 0.01 1.02 -0.54 0.00 0.00 0.00 174.94 175.45 3eey s LYS 4 N 2.26 3.65 1.26 2.79 1.02 -1.26 -5.08 119.74 124.37 3eey s LYS 4 Ca 0.73 0.81 -0.20 0.00 0.02 0.00 0.00 55.97 57.33 3eey s LYS 4 Cb -0.41 -2.09 0.31 0.00 -0.52 0.00 0.00 37.83 35.12 3eey s LYS 4 CO 0.32 -0.53 1.06 0.54 -0.92 0.00 0.00 175.35 175.82 3eey s ASN 5 N -3.89 0.42 0.17 2.83 2.20 -1.26 -4.69 114.94 110.72 3eey s ASN 5 Ca 0.56 0.73 -0.14 0.00 -0.94 0.00 0.00 52.86 53.07 3eey s ASN 5 Cb -0.11 -1.03 0.09 0.00 -2.00 0.00 0.00 41.25 38.21 3eey s ASN 5 CO 0.49 -4.44 1.81 0.28 -2.94 0.00 0.00 177.10 172.30 3eey h SER 6 N -2.79 0.46 -0.53 3.54 0.02 -1.95 -0.10 113.55 112.20 3eey h SER 6 Ca -0.45 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 60.56 3eey h SER 6 Cb 1.31 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.71 3eey h SER 6 CO 0.34 0.32 0.23 0.25 -1.14 0.00 0.00 176.83 176.83 3eey h LEU 7 N 0.57 0.30 -0.56 5.07 5.85 -1.93 -0.01 115.31 124.60 3eey h LEU 7 Ca 0.20 0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.85 3eey h LEU 7 Cb 0.03 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3eey h LEU 7 CO -0.10 0.20 -0.16 1.23 -0.34 0.00 0.00 178.44 179.28 3eey h GLY 8 N 0.45 1.07 1.56 3.75 0.00 -1.83 -3.18 103.07 104.89 3eey h GLY 8 Ca 0.24 -0.90 -0.12 0.00 0.00 0.00 0.00 47.33 46.55 3eey h GLY 8 CO -0.21 0.82 -0.38 1.46 0.00 0.00 0.00 176.54 178.23 3eey h GLN 9 N 0.87 0.49 -0.54 4.80 4.20 -0.60 -2.95 115.11 121.38 3eey h GLN 9 Ca 0.13 -0.24 0.06 0.00 0.06 0.00 0.00 58.65 58.65 3eey h GLN 9 Cb 0.72 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.45 3eey h GLN 9 CO 0.06 0.80 0.25 0.66 -0.67 0.00 0.00 178.83 179.93 3eey h SER 10 N 0.41 0.34 -0.64 1.46 4.64 -0.99 -1.02 113.55 117.74 3eey h SER 10 Ca 0.04 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 3eey h SER 10 Cb 0.86 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.90 3eey h SER 10 CO 0.07 0.23 0.37 0.45 -0.87 0.00 0.00 176.83 177.08 3eey h HIS 11 N 0.48 0.86 -0.61 4.77 3.86 -1.54 -0.56 115.15 122.41 3eey h HIS 11 Ca 0.25 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.42 3eey h HIS 11 Cb 0.19 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.36 3eey h HIS 11 CO -0.12 0.60 0.29 -0.44 0.86 0.00 0.00 177.93 179.13 3eey h ASP 12 N 0.87 0.80 -0.62 2.45 5.19 -1.29 -0.12 116.42 123.71 3eey h ASP 12 Ca 0.23 -0.13 -0.04 0.00 -0.62 0.00 0.00 57.03 56.47 3eey h ASP 12 Cb 0.01 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.28 3eey h ASP 12 CO -0.04 0.71 0.24 1.88 -3.12 0.00 0.00 179.24 178.91 3eey h TYR 13 N 0.84 0.97 -0.41 4.55 -1.99 -0.92 -2.30 116.97 117.70 3eey h TYR 13 Ca 0.21 -0.07 -0.15 0.00 2.00 0.00 0.00 58.73 60.72 3eey h TYR 13 Cb 0.12 -0.29 -0.01 0.00 2.00 0.00 0.00 36.73 38.55 3eey h TYR 13 CO 0.00 0.76 -0.32 0.82 -0.00 0.00 0.00 178.16 179.41 3eey h ILE 14 N 0.94 1.27 -0.39 -2.88 1.08 -0.56 -2.98 117.51 114.00 3eey h ILE 14 Ca 0.22 -1.49 -0.04 0.00 -0.39 0.00 0.00 64.86 63.15 3eey h ILE 14 Cb 0.21 1.30 -0.02 0.00 -3.07 0.00 0.00 36.82 35.24 3eey h ILE 14 CO -0.02 0.50 0.06 0.11 -0.69 0.00 0.00 178.15 178.12 3eey h LYS 15 N 0.78 0.59 -0.77 2.37 1.57 -0.89 -0.56 116.57 119.66 3eey h LYS 15 Ca 0.08 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3eey h LYS 15 Cb 0.91 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.09 3eey h LYS 15 CO 0.08 0.57 0.42 0.52 -0.57 0.00 0.00 179.45 180.47 3eey h MET 16 N 0.57 1.07 0.00 3.15 2.86 -1.31 -3.33 114.93 117.94 3eey h MET 16 Ca 0.13 -0.12 -0.35 0.00 -2.06 0.00 0.00 59.70 57.29 3eey h MET 16 Cb 0.27 -0.21 -0.07 0.00 0.06 0.00 0.00 31.60 31.65 3eey h MET 16 CO 0.00 0.79 -2.32 1.19 1.06 0.00 0.00 176.91 177.63 3eey n PHE 17 N -4.35 0.08 -3.30 -0.22 3.72 -1.03 -4.93 117.46 107.43 3eey n PHE 17 Ca 0.08 0.03 -0.39 0.00 -0.05 0.00 0.00 57.45 57.12 3eey n PHE 17 Cb 0.10 -1.00 -0.07 0.00 -0.94 0.00 0.00 39.48 37.57 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 -2.53 5.13 0.39 -4.37 1.01 -0.25 -5.01 120.40 114.78 3eey s VAL 18 Ca -0.10 0.82 0.08 0.00 0.00 0.00 0.00 61.98 62.78 3eey s VAL 18 Cb 0.06 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3eey s VAL 18 CO 0.83 0.17 0.20 -0.54 0.00 0.00 0.00 175.10 175.77 3eey s LYS 19 N 1.75 2.32 0.27 2.72 1.02 -1.26 -4.85 119.74 121.72 3eey s LYS 19 Ca 0.21 -1.70 -0.29 0.00 0.02 0.00 0.00 55.97 54.21 3eey s LYS 19 Cb -0.15 -2.11 -0.10 0.00 -0.52 0.00 0.00 37.83 34.95 3eey s LYS 19 CO 0.09 -0.06 1.25 -1.21 -0.92 0.00 0.00 175.35 174.50 3eey s GLU 20 N -3.92 4.44 0.00 1.68 2.02 -1.24 -2.95 118.70 118.73 3eey s GLU 20 Ca 0.41 2.05 0.00 0.00 0.02 0.00 0.00 54.97 57.45 3eey s GLU 20 Cb 0.01 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 31.09 3eey s GLU 20 CO 0.23 -0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.83 3eey n GLY 21 N 1.41 0.70 3.79 -1.39 0.00 0.74 -4.95 105.19 105.50 3eey n GLY 21 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.71 4.44 -0.23 1.61 1.01 -1.15 -4.41 116.67 115.23 3eey s ASP 22 Ca 0.00 1.37 -0.05 0.00 0.71 0.00 0.00 52.55 54.58 3eey s ASP 22 Cb 0.00 -2.10 -0.01 0.00 1.01 0.00 0.00 42.92 41.81 3eey s ASP 22 CO 0.00 -2.01 -0.01 -0.89 0.21 0.00 0.00 175.17 172.47 3eey s THR 23 N -3.11 3.63 0.28 -1.27 2.01 -1.26 -1.58 115.64 114.34 3eey s THR 23 Ca 0.61 -0.40 0.06 0.00 0.31 0.00 0.00 61.69 62.26 3eey s THR 23 Cb -0.15 -2.67 -0.06 0.00 0.01 0.00 0.00 72.50 69.64 3eey s THR 23 CO 0.55 0.40 -0.04 0.68 -0.69 0.00 0.00 174.62 175.52 3eey s VAL 24 N 1.50 1.49 -0.06 3.82 -7.23 -0.05 -0.97 120.40 118.89 3eey s VAL 24 Ca 0.06 -2.09 0.02 0.00 -1.81 0.00 0.00 61.98 58.15 3eey s VAL 24 Cb -0.14 -2.47 0.02 0.00 0.56 0.00 0.00 36.38 34.34 3eey s VAL 24 CO -0.01 -0.27 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.72 3eey s VAL 25 N -3.11 0.94 -0.50 1.32 1.01 0.27 -1.30 120.40 119.02 3eey s VAL 25 Ca 0.30 -0.36 -0.16 0.00 0.00 0.00 0.00 61.98 61.75 3eey s VAL 25 Cb 0.05 -0.88 0.09 0.00 0.00 0.00 0.00 36.38 35.63 3eey s VAL 25 CO 0.12 0.31 0.46 -0.62 0.00 0.00 0.00 175.10 175.37 3eey s ASP 26 N 0.73 6.17 0.45 3.32 -1.08 0.16 -0.84 116.67 125.57 3eey s ASP 26 Ca -0.14 -1.42 0.27 0.00 -0.52 0.00 0.00 52.55 50.74 3eey s ASP 26 Cb -0.15 -2.21 0.74 0.00 -1.46 0.00 0.00 42.92 39.84 3eey s ASP 26 CO 0.03 -0.75 1.75 0.00 0.52 0.00 0.00 175.17 176.72 3eey h ALA 27 N 8.83 1.00 -2.72 3.66 0.00 -1.49 -2.17 119.26 126.37 3eey h ALA 27 Ca -0.29 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.03 3eey h ALA 27 Cb 1.11 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.50 3eey h ALA 27 CO 0.94 0.00 -0.82 0.95 0.00 0.00 0.00 179.25 180.32 3eey s THR 28 N -3.35 0.82 0.08 0.00 -4.23 -1.25 -4.54 115.64 103.17 3eey s THR 28 Ca 0.05 -2.38 -0.27 0.00 -1.18 0.00 0.00 61.69 57.92 3eey s THR 28 Cb 0.07 -1.57 -0.17 0.00 1.34 0.00 0.00 72.50 72.17 3eey s THR 28 CO 0.61 -1.01 1.67 0.00 -0.54 0.00 0.00 174.62 175.36 3eey n GLY 30 N -1.21 3.90 0.06 0.00 0.00 -1.26 -1.34 105.19 105.33 3eey n GLY 30 Ca -0.10 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 6.60 0.48 0.00 1.61 3.02 -1.26 -4.47 115.26 121.24 3eey n ASN 31 Ca 0.00 0.49 0.00 0.00 -0.03 0.00 0.00 54.58 55.04 3eey n ASN 31 Cb 0.00 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 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 1.39 0.98 0.09 7.41 0.00 -0.45 -3.85 105.19 110.77 3eey n GLY 32 Ca 0.06 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.12 0.19 1.61 2.35 -1.93 -0.57 115.58 117.11 3eey h ASN 33 Ca 0.00 -0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 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 -0.08 -0.30 0.44 -1.65 0.00 0.00 177.43 175.84 3eey h ASP 34 N -0.15 0.19 -0.27 5.81 3.32 -1.94 -0.18 116.42 123.20 3eey h ASP 34 Ca -0.01 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 3eey h ASP 34 Cb 0.12 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3eey h ASP 34 CO 0.02 0.49 -0.02 0.74 -1.72 0.00 0.00 179.24 178.76 3eey h THR 35 N 0.17 1.26 -0.64 0.35 2.02 -1.80 0.85 112.91 115.13 3eey h THR 35 Ca 0.02 -0.97 -0.07 0.00 0.77 0.00 0.00 66.41 66.16 3eey h THR 35 Cb 0.63 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.38 3eey h THR 35 CO 0.05 0.31 0.11 0.00 0.37 0.00 0.00 175.52 176.35 3eey h ALA 36 N 0.81 0.84 -0.14 6.16 0.00 -0.89 -0.99 119.26 125.05 3eey h ALA 36 Ca 0.07 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.74 3eey h ALA 36 Cb 0.45 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3eey h ALA 36 CO 0.02 0.60 0.03 0.35 0.00 0.00 0.00 179.25 180.25 3eey h PHE 37 N 0.96 0.05 -0.74 0.00 3.57 -0.92 -2.21 116.94 117.65 3eey h PHE 37 Ca 0.19 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 3eey h PHE 37 Cb 0.43 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 3eey h PHE 37 CO 0.03 0.02 0.24 -0.07 -2.23 0.00 0.00 178.31 176.30 3eey h LEU 38 N 0.09 1.06 -0.93 0.59 3.38 -0.74 -3.06 115.31 115.70 3eey h LEU 38 Ca 0.06 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3eey h LEU 38 Cb 0.05 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 3eey h LEU 38 CO -0.08 0.98 0.43 0.00 0.09 0.00 0.00 178.44 179.86 3eey h ALA 39 N 1.16 1.17 0.00 1.53 0.00 -1.02 -2.77 119.26 119.34 3eey h ALA 39 Ca 0.24 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3eey h ALA 39 Cb 0.29 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3eey h ALA 39 CO -0.01 0.65 -0.42 0.66 0.00 0.00 0.00 179.25 180.12 3eey h SER 40 N 1.19 0.00 1.44 0.00 4.64 -1.31 -2.98 113.55 116.53 3eey h SER 40 Ca 0.29 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.51 3eey h SER 40 Cb 0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3eey h SER 40 CO -0.04 0.42 -0.47 -0.07 -0.87 0.00 0.00 176.83 175.80 3eey h LEU 41 N 0.00 0.00 0.00 5.97 3.38 -1.42 -3.36 115.31 119.89 3eey h LEU 41 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3eey h LEU 41 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3eey h LEU 41 CO 0.06 0.47 -1.41 0.55 0.09 0.00 0.00 178.44 178.20 3eey n VAL 42 N -3.25 0.19 -3.13 1.22 3.14 -1.09 -3.73 118.33 111.68 3eey n VAL 42 Ca 0.02 -0.39 0.01 0.00 -2.96 0.00 0.00 64.34 61.02 3eey n VAL 42 Cb 0.70 0.07 -0.00 0.00 -1.06 0.00 0.00 33.84 33.55 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 1.30 -1.98 0.19 7.55 0.00 -1.18 -0.18 105.19 110.88 3eey n GLY 43 Ca -0.01 -1.38 -0.03 0.00 0.00 0.00 0.00 46.02 44.60 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 0.24 -0.02 1.61 4.11 -1.96 -3.13 114.58 115.43 3eey h GLU 44 Ca 0.00 -0.12 0.00 0.00 0.07 0.00 0.00 59.36 59.31 3eey h GLU 44 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3eey h GLU 44 CO 0.00 0.66 -0.01 0.09 0.07 0.00 0.00 179.01 179.82 3eey n ASN 45 N -3.98 1.94 -4.85 3.06 3.02 -1.26 -4.89 115.26 108.30 3eey n ASN 45 Ca -0.02 -1.64 -0.22 0.00 -0.03 0.00 0.00 54.58 52.67 3eey n ASN 45 Cb 0.52 0.01 0.07 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 -2.01 1.79 -0.02 7.41 0.00 -1.18 -4.64 107.32 108.66 3eey s GLY 46 Ca 0.35 -1.54 0.01 0.00 0.00 0.00 0.00 44.72 43.54 3eey s GLY 46 CO 0.33 -1.12 -0.05 -1.60 0.00 0.00 0.00 173.10 170.66 3eey s ARG 47 N -4.93 0.64 -0.17 2.90 6.06 -0.61 -4.79 118.95 118.05 3eey s ARG 47 Ca 0.62 -0.15 -0.01 0.00 -2.50 0.00 0.00 55.73 53.69 3eey s ARG 47 Cb -0.08 -0.65 -0.00 0.00 0.06 0.00 0.00 34.95 34.28 3eey s ARG 47 CO 0.41 0.02 -0.13 0.08 -2.50 0.00 0.00 175.30 173.18 3eey s VAL 48 N 0.42 2.77 -0.24 7.11 1.01 -0.22 -0.87 120.40 130.39 3eey s VAL 48 Ca -0.05 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.08 3eey s VAL 48 Cb -0.09 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 3eey s VAL 48 CO -0.00 0.50 0.27 -0.36 0.00 0.00 0.00 175.10 175.51 3eey s PHE 49 N 0.99 3.31 -0.03 5.22 0.08 -0.42 -0.37 117.98 126.76 3eey s PHE 49 Ca -0.02 0.36 0.03 0.00 0.12 0.00 0.00 56.93 57.42 3eey s PHE 49 Cb -0.15 -2.41 -0.03 0.00 -0.57 0.00 0.00 43.02 39.86 3eey s PHE 49 CO -0.02 -0.03 -0.08 0.20 -0.10 0.00 0.00 175.22 175.19 3eey s GLY 50 N 1.22 1.69 -0.04 4.36 0.00 0.20 -0.66 107.32 114.09 3eey s GLY 50 Ca 0.12 -0.97 0.02 0.00 0.00 0.00 0.00 44.72 43.89 3eey s GLY 50 CO 0.07 -0.80 -0.10 -1.36 0.00 0.00 0.00 173.10 170.92 3eey s PHE 51 N -0.89 1.07 0.03 1.90 0.08 -0.82 -0.83 117.98 118.53 3eey s PHE 51 Ca 0.14 -0.30 -0.20 0.00 0.12 0.00 0.00 56.93 56.69 3eey s PHE 51 Cb -0.11 -0.78 0.04 0.00 -0.57 0.00 0.00 43.02 41.61 3eey s PHE 51 CO 0.04 -0.14 0.46 0.34 -0.10 0.00 0.00 175.22 175.82 3eey s ASP 52 N 0.33 -0.35 0.00 1.36 -1.08 -1.13 -1.11 116.67 114.69 3eey s ASP 52 Ca -0.06 0.13 0.24 0.00 -0.52 0.00 0.00 52.55 52.34 3eey s ASP 52 Cb -0.11 0.44 0.35 0.00 -1.46 0.00 0.00 42.92 42.15 3eey s ASP 52 CO 0.01 -0.65 1.31 2.30 0.52 0.00 0.00 175.17 178.65 3eey n ILE 53 N 0.60 0.00 -4.17 4.11 -5.35 -1.26 -2.69 119.36 110.60 3eey n ILE 53 Ca -0.19 -0.05 -0.35 0.00 -0.27 0.00 0.00 62.75 61.89 3eey n ILE 53 Cb 0.59 0.53 -0.08 0.00 -1.74 0.00 0.00 39.64 38.94 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 -2.86 3.13 0.23 6.28 -0.21 -1.26 -4.94 119.66 120.03 3eey s GLN 54 Ca 0.14 -0.35 0.02 0.00 0.02 0.00 0.00 55.36 55.19 3eey s GLN 54 Cb 0.18 -2.92 0.23 0.00 1.00 0.00 0.00 33.01 31.50 3eey s GLN 54 CO 0.69 0.71 1.56 -0.44 -2.12 0.00 0.00 175.29 175.69 3eey h ASP 55 N 4.85 0.37 -0.72 5.90 3.32 -2.00 -2.81 116.42 125.33 3eey h ASP 55 Ca -0.52 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.32 3eey h ASP 55 Cb 1.20 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 3eey h ASP 55 CO 0.57 0.86 0.40 0.50 -1.72 0.00 0.00 179.24 179.85 3eey h LYS 56 N 0.25 1.00 -0.24 3.56 3.64 -1.99 -2.37 116.57 120.42 3eey h LYS 56 Ca 0.00 -0.11 -0.18 0.00 -1.27 0.00 0.00 60.65 59.09 3eey h LYS 56 Cb 1.07 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.69 3eey h LYS 56 CO 0.09 0.74 -0.56 0.00 -2.27 0.00 0.00 179.45 177.45 3eey h ALA 57 N 1.20 0.56 -0.42 5.00 0.00 -1.79 -1.97 119.26 121.84 3eey h ALA 57 Ca 0.25 -0.52 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 3eey h ALA 57 Cb 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3eey h ALA 57 CO -0.04 0.69 -0.26 0.82 0.00 0.00 0.00 179.25 180.45 3eey h ILE 58 N 0.55 1.27 -0.37 0.00 1.08 -1.47 -2.20 117.51 116.38 3eey h ILE 58 Ca 0.01 -1.42 -0.13 0.00 -0.39 0.00 0.00 64.86 62.93 3eey h ILE 58 Cb 1.14 1.23 -0.01 0.00 -3.07 0.00 0.00 36.82 36.11 3eey h ILE 58 CO 0.12 0.48 -0.27 0.00 -0.69 0.00 0.00 178.15 177.79 3eey h ALA 59 N 0.93 0.52 -0.80 1.87 0.00 -1.40 -1.38 119.26 119.01 3eey h ALA 59 Ca 0.09 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 3eey h ALA 59 Cb 0.82 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 3eey h ALA 59 CO 0.07 0.54 0.34 -0.91 0.00 0.00 0.00 179.25 179.29 3eey h ASN 60 N 0.62 1.09 -0.20 0.00 4.21 -1.36 -1.18 115.58 118.77 3eey h ASN 60 Ca 0.07 -0.16 -0.16 0.00 1.21 0.00 0.00 56.30 57.26 3eey h ASN 60 Cb 0.84 -0.28 -0.00 0.00 -1.12 0.00 0.00 38.32 37.75 3eey h ASN 60 CO 0.07 0.95 -0.48 0.74 -1.29 0.00 0.00 177.43 177.43 3eey h THR 61 N 1.16 1.29 -0.59 2.81 2.02 -1.35 -0.86 112.91 117.39 3eey h THR 61 Ca 0.27 -1.67 -0.06 0.00 0.77 0.00 0.00 66.41 65.72 3eey h THR 61 Cb 0.19 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 3eey h THR 61 CO -0.03 0.54 0.13 0.74 0.37 0.00 0.00 175.52 177.28 3eey h THR 62 N 0.61 1.25 -0.06 3.16 2.02 -1.12 -1.52 112.91 117.25 3eey h THR 62 Ca 0.03 -0.92 -0.00 0.00 0.77 0.00 0.00 66.41 66.29 3eey h THR 62 Cb 1.05 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 68.18 3eey h THR 62 CO 0.10 0.34 0.03 0.50 0.37 0.00 0.00 175.52 176.87 3eey h LYS 63 N 0.85 0.08 0.05 6.66 3.64 -1.10 -2.19 116.57 124.57 3eey h LYS 63 Ca 0.18 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.58 3eey h LYS 63 Cb 0.37 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.12 3eey h LYS 63 CO 0.00 0.11 -0.40 0.87 -2.27 0.00 0.00 179.45 177.77 3eey h LYS 64 N 0.02 -0.57 -0.09 1.90 1.79 -1.03 -2.44 116.57 116.16 3eey h LYS 64 Ca 0.02 0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.43 3eey h LYS 64 Cb 0.06 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 3eey h LYS 64 CO -0.00 -0.38 -0.40 -0.07 -1.08 0.00 0.00 179.45 177.52 3eey h LEU 65 N -0.59 0.20 -0.33 2.94 3.38 -1.28 -2.56 115.31 117.07 3eey h LEU 65 Ca 0.04 -0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.75 3eey h LEU 65 Cb 0.65 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 3eey h LEU 65 CO -0.27 0.59 -0.54 0.74 0.09 0.00 0.00 178.44 179.04 3eey h THR 66 N 0.16 1.28 -0.31 0.22 2.02 -1.35 0.31 112.91 115.23 3eey h THR 66 Ca 0.02 -1.73 -0.02 0.00 0.77 0.00 0.00 66.41 65.45 3eey h THR 66 Cb 0.78 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.81 3eey h THR 66 CO 0.06 0.56 0.11 0.44 0.37 0.00 0.00 175.52 177.07 3eey h ASP 67 N 0.65 0.39 -0.63 4.18 3.32 -1.20 -2.95 116.42 120.19 3eey h ASP 67 Ca 0.02 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3eey h ASP 67 Cb 1.14 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.59 3eey h ASP 67 CO 0.12 0.37 0.00 0.18 -1.72 0.00 0.00 179.24 178.19 3eey n LEU 68 N -4.40 3.37 -3.73 1.55 4.77 -0.98 -4.95 117.00 112.63 3eey n LEU 68 Ca 0.02 -1.68 -0.25 0.00 -0.03 0.00 0.00 56.01 54.07 3eey n LEU 68 Cb 0.14 -0.42 0.05 0.00 -2.33 0.00 0.00 43.42 40.86 3eey n LEU 68 CO 0.36 0.84 0.08 0.59 -1.33 0.00 0.00 177.39 177.93 3eey n ASN 69 N 1.34 -3.59 0.00 -1.43 3.02 -1.03 -4.92 115.26 108.65 3eey n ASN 69 Ca 0.21 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 3eey n ASN 69 Cb 0.53 -4.31 0.00 0.00 -0.61 0.00 0.00 39.78 35.39 3eey n ASN 69 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3eey n LEU 70 N -4.55 0.77 0.24 3.41 4.77 0.10 -4.77 117.00 116.98 3eey n LEU 70 Ca -0.12 -0.78 0.12 0.00 -0.03 0.00 0.00 56.01 55.21 3eey n LEU 70 Cb 0.60 0.00 0.58 0.00 -2.33 0.00 0.00 43.42 42.27 3eey n LEU 70 CO 0.70 0.19 0.88 -0.29 -1.33 0.00 0.00 177.39 177.54 3eey h ILE 71 N 0.22 0.45 -0.99 -0.08 6.09 -1.82 -3.14 117.51 118.24 3eey h ILE 71 Ca 0.00 -0.86 0.10 0.00 -1.37 0.00 0.00 64.86 62.73 3eey h ILE 71 Cb 0.11 1.61 -0.08 0.00 0.47 0.00 0.00 36.82 38.93 3eey h ILE 71 CO 0.00 0.15 0.62 0.44 -3.07 0.00 0.00 178.15 176.30 3eey h ASP 72 N 0.00 0.95 -0.67 2.19 3.32 -1.90 -2.84 116.42 117.47 3eey h ASP 72 Ca -0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3eey h ASP 72 Cb 0.59 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3eey h ASP 72 CO 0.02 0.55 0.00 -2.11 -1.72 0.00 0.00 179.24 175.98 3eey n ARG 73 N -4.59 2.59 -5.04 3.56 0.00 -1.18 -4.90 116.66 107.09 3eey n ARG 73 Ca 0.17 -2.41 -0.32 0.00 -0.00 0.00 0.00 57.85 55.28 3eey n ARG 73 Cb 0.28 -1.53 -0.17 0.00 -0.00 0.00 0.00 32.46 31.04 3eey n ARG 73 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3eey s VAL 74 N -1.14 2.13 -0.38 8.89 1.01 -1.07 -1.05 120.40 128.78 3eey s VAL 74 Ca 0.45 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 3eey s VAL 74 Cb 0.24 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.82 3eey s VAL 74 CO 0.30 0.55 0.21 -0.89 0.00 0.00 0.00 175.10 175.28 3eey s THR 75 N 0.47 4.60 -0.17 3.92 2.01 0.50 -4.97 115.64 122.00 3eey s THR 75 Ca -0.15 -0.88 -0.16 0.00 0.31 0.00 0.00 61.69 60.81 3eey s THR 75 Cb -0.17 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 3eey s THR 75 CO 0.06 -0.26 0.40 -0.76 -0.69 0.00 0.00 174.62 173.38 3eey s LEU 76 N 1.55 4.21 -0.12 4.42 1.43 -1.26 -0.63 118.68 128.27 3eey s LEU 76 Ca 0.02 0.60 0.02 0.00 -1.03 0.00 0.00 54.13 53.75 3eey s LEU 76 Cb -0.19 -2.55 0.01 0.00 0.03 0.00 0.00 46.19 43.49 3eey s LEU 76 CO 0.07 -0.03 -0.19 -0.63 0.23 0.00 0.00 176.35 175.80 3eey s ILE 77 N 0.97 1.80 -1.21 -0.59 1.01 -0.01 -4.96 121.20 118.21 3eey s ILE 77 Ca 0.21 -0.83 -0.14 0.00 0.00 0.00 0.00 60.65 59.89 3eey s ILE 77 Cb -0.14 -1.61 0.16 0.00 0.01 0.00 0.00 42.46 40.88 3eey s ILE 77 CO 0.08 0.50 1.45 -0.75 0.00 0.00 0.00 174.94 176.22 3eey s LYS 78 N 0.88 4.08 0.22 2.79 2.20 -1.26 -2.82 119.74 125.83 3eey s LYS 78 Ca -0.07 -2.54 -0.17 0.00 -0.36 0.00 0.00 55.97 52.83 3eey s LYS 78 Cb -0.15 -5.10 0.02 0.00 -1.51 0.00 0.00 37.83 31.09 3eey s LYS 78 CO -0.01 -1.80 0.55 0.34 -0.36 0.00 0.00 175.35 174.06 3eey s ASP 79 N 2.94 -0.22 0.50 1.43 -1.08 -1.09 -4.96 116.67 114.18 3eey s ASP 79 Ca 0.43 -0.61 -0.20 0.00 -0.52 0.00 0.00 52.55 51.65 3eey s ASP 79 Cb -0.02 0.61 -0.08 0.00 -1.46 0.00 0.00 42.92 41.97 3eey s ASP 79 CO 0.01 -1.13 1.08 -0.83 0.52 0.00 0.00 175.17 174.82 3eey s GLY 80 N -2.92 2.59 0.60 2.66 0.00 -1.26 -3.50 107.32 105.50 3eey s GLY 80 Ca 0.13 0.72 0.38 0.00 0.00 0.00 0.00 44.72 45.95 3eey s GLY 80 CO 0.02 1.07 2.17 1.12 0.00 0.00 0.00 173.10 177.48 3eey h HIS 81 N 1.55 0.00 0.00 1.90 2.07 -1.92 -1.79 115.15 116.96 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 0.01 0.00 -0.56 -3.07 0.00 0.00 177.93 174.86 3eey h GLN 82 N 0.00 0.00 -0.33 5.12 -0.00 -1.91 -2.41 115.11 115.58 3eey h GLN 82 Ca -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.60 3eey h GLN 82 Cb 0.27 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.72 3eey h GLN 82 CO 0.00 0.00 0.02 0.09 -0.00 0.00 0.00 178.83 178.94 3eey n ASN 83 N -2.57 3.80 0.28 0.06 3.02 -0.67 -4.59 115.26 114.58 3eey n ASN 83 Ca -0.02 -3.17 0.15 0.00 -0.03 0.00 0.00 54.58 51.52 3eey n ASN 83 Cb 0.07 -0.59 0.78 0.00 -0.61 0.00 0.00 39.78 39.44 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 1.81 0.00 0.00 3.52 -0.00 -1.57 -2.39 114.93 116.30 3eey h MET 84 Ca 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.74 3eey h MET 84 Cb 1.59 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.19 3eey h MET 84 CO 0.31 0.08 -0.11 0.38 -0.00 0.00 0.00 176.91 177.57 3eey h ASP 85 N 0.00 0.00 1.07 -0.10 2.03 -1.84 -2.66 116.42 114.91 3eey h ASP 85 Ca -0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 3eey h ASP 85 Cb 0.36 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.86 3eey h ASP 85 CO 0.01 0.11 -0.03 0.11 -1.03 0.00 0.00 179.24 178.42 3eey h LYS 86 N 0.00 0.00 0.00 4.15 1.57 -1.81 -3.30 116.57 117.17 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 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3eey h LYS 86 CO 0.01 0.03 -0.62 0.66 -0.57 0.00 0.00 179.45 178.96 3eey n TYR 87 N -3.13 0.00 -4.79 -1.35 4.01 -1.08 -4.99 117.16 105.83 3eey n TYR 87 Ca 0.01 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.49 3eey n TYR 87 Cb 0.33 -0.04 -0.16 0.00 -0.31 0.00 0.00 39.34 39.16 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 -1.80 1.39 0.00 -0.72 1.01 -1.03 -5.00 121.20 115.05 3eey s ILE 88 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 59.98 3eey s ILE 88 Cb 0.03 -1.21 0.00 0.00 0.01 0.00 0.00 42.46 41.29 3eey s ILE 88 CO 0.19 0.40 0.00 -0.90 0.00 0.00 0.00 174.94 174.64 3eey n ASP 89 N 3.33 1.39 -4.88 3.58 5.75 -1.26 -4.66 116.55 119.79 3eey n ASP 89 Ca -0.19 -0.17 -0.30 0.00 -0.01 0.00 0.00 54.79 54.12 3eey n ASP 89 Cb 0.53 0.61 -0.03 0.00 -1.03 0.00 0.00 41.12 41.20 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 -4.01 4.29 0.02 0.00 0.02 -1.26 -4.96 135.00 129.10 3eey s PRO 91 Ca 0.50 2.27 0.01 0.00 0.02 0.00 0.00 61.00 63.81 3eey s PRO 91 Cb -0.10 -3.10 -0.04 0.00 0.02 0.00 0.00 34.50 31.28 3eey s PRO 91 CO 0.34 -0.36 0.06 0.14 -0.33 0.00 0.00 177.00 176.85 3eey s VAL 92 N -0.33 4.51 -0.02 3.83 -7.23 0.17 -4.70 120.40 116.62 3eey s VAL 92 Ca 0.56 -0.55 -0.11 0.00 -1.81 0.00 0.00 61.98 60.07 3eey s VAL 92 Cb -0.41 -3.07 -0.32 0.00 0.56 0.00 0.00 36.38 33.14 3eey s VAL 92 CO 0.46 0.31 0.78 0.50 -0.31 0.00 0.00 175.10 176.84 3eey h LYS 93 N 4.00 0.41 -3.37 4.82 1.63 -1.38 -0.26 116.57 122.42 3eey h LYS 93 Ca -0.49 -0.71 -0.15 0.00 -0.85 0.00 0.00 60.65 58.46 3eey h LYS 93 Cb 1.18 0.26 -0.22 0.00 -0.60 0.00 0.00 32.23 32.85 3eey h LYS 93 CO 0.61 1.33 -0.45 0.00 -3.45 0.00 0.00 179.45 177.49 3eey s ALA 94 N -2.59 -0.45 -0.06 5.00 0.00 -1.25 -0.62 121.76 121.79 3eey s ALA 94 Ca -0.13 0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.92 3eey s ALA 94 Cb 0.05 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.21 3eey s ALA 94 CO 0.88 -0.20 -0.03 0.08 0.00 0.00 0.00 175.76 176.49 3eey s VAL 95 N -1.08 0.51 -0.25 0.00 1.01 -0.65 -0.57 120.40 119.38 3eey s VAL 95 Ca -0.12 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 3eey s VAL 95 Cb -0.06 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 3eey s VAL 95 CO 0.02 0.24 0.09 -0.04 0.00 0.00 0.00 175.10 175.41 3eey s MET 96 N 1.28 3.76 -0.12 2.72 -1.94 -0.02 -1.85 119.30 123.12 3eey s MET 96 Ca -0.05 -0.43 -0.03 0.00 -1.71 0.00 0.00 55.69 53.47 3eey s MET 96 Cb -0.14 -3.38 -0.03 0.00 2.01 0.00 0.00 34.83 33.30 3eey s MET 96 CO -0.02 -0.12 -0.01 -0.06 -0.01 0.00 0.00 175.02 174.79 3eey s PHE 97 N 1.47 3.09 -0.28 -0.03 0.08 0.44 -1.40 117.98 121.36 3eey s PHE 97 Ca 0.06 -0.04 -0.01 0.00 0.12 0.00 0.00 56.93 57.06 3eey s PHE 97 Cb -0.15 -1.89 0.09 0.00 -0.57 0.00 0.00 43.02 40.51 3eey s PHE 97 CO 0.05 0.21 0.08 1.21 -0.10 0.00 0.00 175.22 176.67 3eey s ASN 98 N -0.21 3.81 -0.21 1.36 3.84 -1.26 -1.61 114.94 120.66 3eey s ASN 98 Ca 0.05 -1.46 -0.09 0.00 0.21 0.00 0.00 52.86 51.57 3eey s ASN 98 Cb -0.13 -0.82 -0.04 0.00 -0.55 0.00 0.00 41.25 39.71 3eey s ASN 98 CO 0.02 -0.39 0.11 -0.76 -2.79 0.00 0.00 177.10 173.29 3eey s LEU 99 N 1.66 3.94 0.00 3.21 1.43 0.03 -4.90 118.68 124.06 3eey s LEU 99 Ca 0.07 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 3eey s LEU 99 Cb -0.17 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.02 3eey s LEU 99 CO -0.22 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.09 3eey n GLY 100 N 3.93 -0.29 0.00 -3.19 0.00 -1.26 -0.79 105.19 103.58 3eey n GLY 100 Ca -0.16 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3eey n GLY 100 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3eey n THR 111 N -0.52 -0.13 -4.36 2.61 -2.24 -1.26 -4.82 114.28 103.55 3eey n THR 111 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 3eey n THR 111 Cb 0.13 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.24 3eey n THR 111 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3eey s ARG 112 N -4.87 1.72 0.27 -0.78 1.70 -1.26 -5.05 118.95 110.67 3eey s ARG 112 Ca 0.00 -1.20 -0.03 0.00 -0.47 0.00 0.00 55.73 54.03 3eey s ARG 112 Cb 0.00 -2.07 0.38 0.00 -0.57 0.00 0.00 34.95 32.69 3eey s ARG 112 CO 0.00 0.48 1.90 -1.35 -1.08 0.00 0.00 175.30 175.25 3eey h PRO 113 N 3.84 1.18 -0.47 3.89 0.11 -1.94 -1.47 132.00 137.14 3eey h PRO 113 Ca -0.50 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.48 3eey h PRO 113 Cb 1.17 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 3eey h PRO 113 CO 0.45 0.78 0.07 0.93 -0.21 0.00 0.00 178.00 180.02 3eey h GLU 114 N 1.22 0.78 0.00 1.05 3.07 -1.99 -1.00 114.58 117.71 3eey h GLU 114 Ca 0.41 -0.21 -0.23 0.00 -0.50 0.00 0.00 59.36 58.83 3eey h GLU 114 Cb 0.08 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 27.87 3eey h GLU 114 CO -0.15 0.80 -1.15 1.79 -1.40 0.00 0.00 179.01 178.91 3eey h THR 115 N 0.65 1.54 -0.20 1.13 1.35 -1.96 -2.62 112.91 112.80 3eey h THR 115 Ca 0.14 -3.28 -0.02 0.00 -0.55 0.00 0.00 66.41 62.71 3eey h THR 115 Cb 0.40 2.76 -0.01 0.00 -1.73 0.00 0.00 68.15 69.57 3eey h THR 115 CO 0.01 0.88 0.06 0.74 -0.25 0.00 0.00 175.52 176.96 3eey h THR 116 N 0.00 1.19 -0.69 6.82 2.02 -1.20 -0.57 112.91 120.49 3eey h THR 116 Ca -0.07 -0.60 -0.00 0.00 0.77 0.00 0.00 66.41 66.50 3eey h THR 116 Cb 1.82 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 69.41 3eey h THR 116 CO 0.12 0.19 0.42 0.40 0.37 0.00 0.00 175.52 177.02 3eey h ILE 117 N 0.15 1.20 0.03 3.11 2.04 -1.24 -0.01 117.51 122.79 3eey h ILE 117 Ca 0.06 -0.44 0.02 0.00 1.00 0.00 0.00 64.86 65.51 3eey h ILE 117 Cb 0.24 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 3eey h ILE 117 CO -0.00 0.20 -0.18 1.56 0.00 0.00 0.00 178.15 179.73 3eey h GLN 118 N 0.94 -0.30 -0.88 2.37 4.20 -1.42 -1.72 115.11 118.30 3eey h GLN 118 Ca 0.25 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.99 3eey h GLN 118 Cb -0.03 0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.77 3eey h GLN 118 CO -0.05 -0.20 0.59 0.00 -0.67 0.00 0.00 178.83 178.50 3eey h ALA 119 N 0.58 1.39 -0.73 3.87 0.00 -0.74 -1.40 119.26 122.22 3eey h ALA 119 Ca 0.05 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3eey h ALA 119 Cb 0.37 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3eey h ALA 119 CO -0.16 0.56 0.24 -0.07 0.00 0.00 0.00 179.25 179.83 3eey h LEU 120 N 1.18 1.05 -0.45 0.00 3.38 -0.79 0.14 115.31 119.83 3eey h LEU 120 Ca 0.33 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3eey h LEU 120 Cb -0.11 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.35 3eey h LEU 120 CO -0.08 0.96 0.18 0.28 0.09 0.00 0.00 178.44 179.88 3eey h SER 121 N 1.08 0.61 -0.58 -0.43 0.02 -0.79 -0.00 113.55 113.46 3eey h SER 121 Ca 0.24 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 3eey h SER 121 Cb 0.28 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 3eey h SER 121 CO -0.01 0.60 0.17 0.11 -1.14 0.00 0.00 176.83 176.56 3eey h LYS 122 N 0.58 0.92 -0.55 3.45 1.79 -1.00 -1.00 116.57 120.75 3eey h LYS 122 Ca 0.15 -0.20 -0.06 0.00 -2.18 0.00 0.00 60.65 58.36 3eey h LYS 122 Cb 0.18 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 3eey h LYS 122 CO -0.01 0.83 0.12 0.00 -1.08 0.00 0.00 179.45 179.30 3eey h ALA 123 N 1.04 0.73 -0.52 3.86 0.00 -0.61 -0.69 119.26 123.07 3eey h ALA 123 Ca 0.19 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3eey h ALA 123 Cb 0.30 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3eey h ALA 123 CO -0.00 0.44 0.13 0.52 0.00 0.00 0.00 179.25 180.34 3eey h MET 124 N 0.79 0.80 -0.34 0.00 2.86 -0.83 -1.13 114.93 117.07 3eey h MET 124 Ca 0.17 -0.16 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 3eey h MET 124 Cb 0.37 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 3eey h MET 124 CO 0.01 0.72 -0.01 0.93 1.06 0.00 0.00 176.91 179.62 3eey h GLU 125 N 0.77 0.61 0.00 1.72 5.08 -0.89 -3.25 114.58 118.63 3eey h GLU 125 Ca 0.17 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3eey h GLU 125 Cb 0.28 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 3eey h GLU 125 CO -0.00 0.73 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.59 3eey h LEU 126 N 0.42 0.00 -9.89 1.33 3.38 -0.80 -3.46 115.31 106.29 3eey h LEU 126 Ca 0.10 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.53 3eey h LEU 126 Cb 0.46 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.31 3eey h LEU 126 CO 0.02 0.08 0.79 -0.76 0.09 0.00 0.00 178.44 178.66 3eey s LEU 127 N -6.33 4.34 0.55 1.67 1.43 -0.46 -0.66 118.68 119.22 3eey s LEU 127 Ca 0.03 2.96 -0.17 0.00 -1.03 0.00 0.00 54.13 55.92 3eey s LEU 127 Cb 0.08 -3.66 -0.06 0.00 0.03 0.00 0.00 46.19 42.59 3eey s LEU 127 CO 0.61 -0.83 1.04 0.54 0.23 0.00 0.00 176.35 177.94 3eey s VAL 128 N -0.78 3.91 0.22 -1.59 0.11 -0.11 -4.74 120.40 117.42 3eey s VAL 128 Ca 0.55 0.98 -0.32 0.00 -2.93 0.00 0.00 61.98 60.27 3eey s VAL 128 Cb -0.46 -3.45 -0.12 0.00 -1.53 0.00 0.00 36.38 30.82 3eey s VAL 128 CO 0.57 -0.46 1.68 0.35 -3.33 0.00 0.00 175.10 173.91 3eey n THR 129 N -1.66 0.22 -0.68 5.04 -2.24 -1.26 -0.83 114.28 112.87 3eey n THR 129 Ca 0.09 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3eey n THR 129 Cb 0.53 -1.93 0.00 0.00 -2.10 0.00 0.00 70.33 66.83 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 3.51 0.65 3.94 3.38 0.00 0.15 -4.99 105.19 111.82 3eey n GLY 130 Ca 0.15 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.10 1.46 -0.02 -0.02 0.00 -0.01 -4.90 107.32 101.73 3eey s GLY 131 Ca 0.00 -0.87 0.05 0.00 0.00 0.00 0.00 44.72 43.90 3eey s GLY 131 CO 0.00 -0.74 -0.17 -1.50 0.00 0.00 0.00 173.10 170.69 3eey s ILE 132 N -2.51 1.36 -0.15 0.90 1.10 0.20 -2.27 121.20 119.82 3eey s ILE 132 Ca 0.45 -0.72 -0.02 0.00 -0.51 0.00 0.00 60.65 59.85 3eey s ILE 132 Cb -0.10 -1.14 -0.02 0.00 0.15 0.00 0.00 42.46 41.36 3eey s ILE 132 CO 0.39 0.39 -0.08 -0.63 -2.11 0.00 0.00 174.94 172.89 3eey s ILE 133 N -0.30 3.45 -0.11 2.00 1.01 0.71 -1.63 121.20 126.33 3eey s ILE 133 Ca 0.04 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 3eey s ILE 133 Cb -0.08 -2.49 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 3eey s ILE 133 CO -0.00 0.50 -0.04 0.42 0.00 0.00 0.00 174.94 175.82 3eey s THR 134 N 0.47 3.95 -0.23 2.92 -4.23 -0.77 -1.02 115.64 116.73 3eey s THR 134 Ca -0.06 -0.37 -0.00 0.00 -1.18 0.00 0.00 61.69 60.08 3eey s THR 134 Cb -0.15 -2.67 0.06 0.00 1.34 0.00 0.00 72.50 71.08 3eey s THR 134 CO 0.04 0.56 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.97 3eey s VAL 135 N -0.37 1.19 -0.36 2.29 1.01 -0.51 -0.42 120.40 123.23 3eey s VAL 135 Ca 0.06 -1.05 -0.19 0.00 0.00 0.00 0.00 61.98 60.80 3eey s VAL 135 Cb -0.12 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.69 3eey s VAL 135 CO 0.02 -0.18 0.57 -0.69 0.00 0.00 0.00 175.10 174.82 3eey s VAL 136 N 1.54 4.95 -0.35 2.92 1.01 -0.63 -1.86 120.40 127.99 3eey s VAL 136 Ca -0.03 0.41 -0.13 0.00 0.00 0.00 0.00 61.98 62.23 3eey s VAL 136 Cb -0.18 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 3eey s VAL 136 CO -0.08 -0.29 0.23 -0.63 0.00 0.00 0.00 175.10 174.33 3eey s ILE 137 N 2.55 5.15 -0.40 2.22 1.01 -0.80 -0.79 121.20 130.14 3eey s ILE 137 Ca 0.21 -0.32 -0.18 0.00 0.00 0.00 0.00 60.65 60.35 3eey s ILE 137 Cb -0.15 -3.68 0.01 0.00 0.01 0.00 0.00 42.46 38.65 3eey s ILE 137 CO 0.14 -0.04 0.51 -0.31 0.00 0.00 0.00 174.94 175.24 3eey s TYR 138 N 1.69 3.15 0.39 3.97 2.02 0.03 -2.84 117.35 125.75 3eey s TYR 138 Ca 0.06 -0.08 0.04 0.00 -0.37 0.00 0.00 57.07 56.72 3eey s TYR 138 Cb -0.18 -3.01 -0.06 0.00 -0.40 0.00 0.00 41.96 38.31 3eey s TYR 138 CO 0.10 -0.67 0.04 1.52 -1.57 0.00 0.00 175.55 174.96 3eey s TYR 139 N 2.40 2.12 0.17 2.71 1.13 -1.26 -4.51 117.35 120.10 3eey s TYR 139 Ca 0.17 -0.90 0.00 0.00 -1.41 0.00 0.00 57.07 54.93 3eey s TYR 139 Cb -0.16 -1.48 0.00 0.00 -1.10 0.00 0.00 41.96 39.23 3eey s TYR 139 CO 0.15 0.15 0.00 0.41 -2.51 0.00 0.00 175.55 173.75 3eey n GLY 140 N -0.88 -1.97 7.00 5.49 0.00 0.13 -4.84 105.19 110.12 3eey n GLY 140 Ca -0.06 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.86 2.58 0.09 -0.02 0.00 -1.26 -2.77 105.19 100.95 3eey n GLY 141 Ca -0.01 0.13 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 3eey n GLY 141 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3eey h ASP 142 N 0.00 0.29 1.20 1.61 3.32 -2.01 -3.28 116.42 117.55 3eey h ASP 142 Ca 0.00 -0.32 -0.06 0.00 0.02 0.00 0.00 57.03 56.67 3eey h ASP 142 Cb 0.00 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3eey h ASP 142 CO 0.00 1.25 -0.30 0.71 -1.72 0.00 0.00 179.24 179.18 3eey h THR 143 N 0.05 0.61 -0.02 0.35 1.35 -1.86 -3.50 112.91 109.90 3eey h THR 143 Ca -0.10 -1.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.29 3eey h THR 143 Cb 1.92 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 70.34 3eey h THR 143 CO 0.18 0.29 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 3eey n GLY 144 N 0.58 -1.50 0.00 5.82 0.00 -1.23 -4.61 105.19 104.26 3eey n GLY 144 Ca 0.01 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.00 0.00 0.09 1.61 3.72 -1.26 0.20 117.46 121.81 3eey n PHE 145 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 3eey n PHE 145 Cb 0.00 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.47 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 -0.14 0.25 -1.08 4.81 -2.00 -1.15 114.58 115.27 3eey h GLU 146 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3eey h GLU 146 Cb 0.03 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.44 3eey h GLU 146 CO 0.00 -0.09 -0.12 1.49 -0.73 0.00 0.00 179.01 179.56 3eey h GLU 147 N -0.14 -0.32 -0.37 1.92 4.81 -1.86 -1.96 114.58 116.65 3eey h GLU 147 Ca -0.01 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.32 3eey h GLU 147 Cb 0.12 0.07 -0.09 0.00 0.63 0.00 0.00 28.75 29.49 3eey h GLU 147 CO 0.01 -0.01 -0.32 -0.22 -0.73 0.00 0.00 179.01 177.74 3eey h LYS 148 N -0.65 -0.25 -0.28 1.92 3.64 -1.88 -0.08 116.57 118.99 3eey h LYS 148 Ca -0.03 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3eey h LYS 148 Cb 0.46 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 3eey h LYS 148 CO 0.06 -0.17 0.08 0.93 -2.27 0.00 0.00 179.45 178.08 3eey h GLU 149 N -0.26 0.20 -0.25 1.90 5.08 -1.16 -0.79 114.58 119.30 3eey h GLU 149 Ca 0.17 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.34 3eey h GLU 149 Cb 0.53 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 3eey h GLU 149 CO -0.52 0.13 -0.54 0.87 -1.00 0.00 0.00 179.01 177.95 3eey h LYS 150 N 0.20 0.75 -0.14 2.33 1.79 -1.16 -0.86 116.57 119.48 3eey h LYS 150 Ca 0.13 -0.47 -0.01 0.00 -2.18 0.00 0.00 60.65 58.11 3eey h LYS 150 Cb 0.11 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 3eey h LYS 150 CO -0.14 1.10 0.03 0.28 -1.08 0.00 0.00 179.45 179.64 3eey h VAL 151 N 0.58 1.20 -0.84 0.50 2.07 -0.87 0.09 116.25 118.96 3eey h VAL 151 Ca 0.01 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 3eey h VAL 151 Cb 1.12 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 3eey h VAL 151 CO 0.11 0.19 0.47 -0.07 0.02 0.00 0.00 177.57 178.29 3eey h LEU 152 N 0.03 1.05 -0.93 2.57 3.38 -1.17 -0.40 115.31 119.83 3eey h LEU 152 Ca 0.04 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3eey h LEU 152 Cb 0.26 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3eey h LEU 152 CO 0.00 0.84 0.42 -0.08 0.09 0.00 0.00 178.44 179.70 3eey h GLU 153 N 1.17 1.18 -0.09 1.13 4.81 -1.00 -0.92 114.58 120.87 3eey h GLU 153 Ca 0.30 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3eey h GLU 153 Cb 0.01 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.17 3eey h GLU 153 CO -0.05 0.89 0.01 0.35 -0.73 0.00 0.00 179.01 179.48 3eey h PHE 154 N 1.17 0.16 0.00 0.92 3.57 -0.65 -3.24 116.94 118.86 3eey h PHE 154 Ca 0.29 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 3eey h PHE 154 Cb 0.08 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 3eey h PHE 154 CO 0.01 0.36 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.18 3eey h LEU 155 N -0.10 0.00 -2.15 0.59 3.38 -0.88 -2.19 115.31 113.97 3eey h LEU 155 Ca 0.03 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.04 3eey h LEU 155 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3eey h LEU 155 CO 0.00 0.21 0.12 0.11 0.09 0.00 0.00 178.44 178.97 3eey h LYS 156 N 0.00 0.00 -0.00 1.13 1.57 -1.19 -2.84 116.57 115.23 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 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3eey h LYS 156 CO 0.03 0.00 -0.34 0.41 -0.57 0.00 0.00 179.45 178.97 3eey n GLY 157 N -1.48 -0.87 3.74 3.86 0.00 -0.82 -4.93 105.19 104.68 3eey n GLY 157 Ca 0.00 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.69 2.73 0.03 1.61 1.01 -1.08 -4.90 120.40 117.11 3eey s VAL 158 Ca 0.19 0.60 -0.30 0.00 0.00 0.00 0.00 61.98 62.47 3eey s VAL 158 Cb 0.19 -3.38 -0.08 0.00 0.00 0.00 0.00 36.38 33.10 3eey s VAL 158 CO 0.59 0.09 1.89 -0.62 0.00 0.00 0.00 175.10 177.05 3eey s ASP 159 N 0.43 6.49 0.42 3.32 2.15 -1.26 -4.88 116.67 123.33 3eey s ASP 159 Ca 0.60 2.61 0.29 0.00 0.43 0.00 0.00 52.55 56.47 3eey s ASP 159 Cb -0.41 -2.54 1.05 0.00 -0.30 0.00 0.00 42.92 40.72 3eey s ASP 159 CO 0.42 -1.02 1.83 0.06 -0.17 0.00 0.00 175.17 176.29 3eey h GLN 160 N 10.14 0.00 0.00 4.34 3.07 -1.91 -0.05 115.11 130.69 3eey h GLN 160 Ca -0.47 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.21 3eey h GLN 160 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.78 3eey h GLN 160 CO 0.94 0.00 -0.28 0.87 0.09 0.00 0.00 178.83 180.45 3eey h LYS 161 N 0.00 0.00 0.00 0.06 1.79 -2.00 -3.34 116.57 113.08 3eey h LYS 161 Ca 0.00 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.19 3eey h LYS 161 Cb 0.57 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.16 3eey h LYS 161 CO 0.00 0.28 -2.04 1.63 -1.08 0.00 0.00 179.45 178.24 3eey n LYS 162 N -3.39 1.11 -4.09 3.15 4.76 -0.78 -4.14 118.16 114.78 3eey n LYS 162 Ca 0.00 0.04 -0.15 0.00 -2.87 0.00 0.00 58.31 55.34 3eey n LYS 162 Cb 0.48 -1.38 -0.14 0.00 -1.84 0.00 0.00 35.03 32.16 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 -2.37 0.41 -0.26 2.13 0.08 -0.10 -0.45 117.98 117.42 3eey s PHE 163 Ca -0.15 -0.14 -0.16 0.00 0.12 0.00 0.00 56.93 56.60 3eey s PHE 163 Cb 0.05 -0.26 -0.03 0.00 -0.57 0.00 0.00 43.02 42.21 3eey s PHE 163 CO 0.53 -0.02 0.44 0.42 -0.10 0.00 0.00 175.22 176.49 3eey s ILE 164 N -0.30 5.13 -0.30 0.64 1.01 0.15 -4.15 121.20 123.38 3eey s ILE 164 Ca -0.00 0.73 -0.04 0.00 0.00 0.00 0.00 60.65 61.34 3eey s ILE 164 Cb -0.03 -3.76 0.04 0.00 0.01 0.00 0.00 42.46 38.72 3eey s ILE 164 CO -0.00 0.14 0.03 -0.69 0.00 0.00 0.00 174.94 174.42 3eey s VAL 165 N 2.08 3.31 -0.12 2.92 1.01 -1.26 -0.75 120.40 127.60 3eey s VAL 165 Ca 0.18 -1.18 -0.00 0.00 0.00 0.00 0.00 61.98 60.98 3eey s VAL 165 Cb -0.16 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 3eey s VAL 165 CO 0.09 -0.06 -0.10 -1.58 0.00 0.00 0.00 175.10 173.45 3eey s GLN 166 N 1.34 3.24 -0.12 2.72 0.74 0.41 -4.94 119.66 123.04 3eey s GLN 166 Ca -0.03 -0.63 -0.00 0.00 0.05 0.00 0.00 55.36 54.75 3eey s GLN 166 Cb -0.19 -2.66 -0.02 0.00 1.10 0.00 0.00 33.01 31.24 3eey s GLN 166 CO -0.00 0.34 -0.11 0.50 -0.55 0.00 0.00 175.29 175.47 3eey s ARG 167 N 0.04 3.30 -0.10 1.67 3.52 -1.26 -0.19 118.95 125.93 3eey s ARG 167 Ca -0.03 -0.65 0.03 0.00 -0.13 0.00 0.00 55.73 54.95 3eey s ARG 167 Cb -0.14 -2.65 -0.01 0.00 -1.56 0.00 0.00 34.95 30.59 3eey s ARG 167 CO 0.04 0.29 -0.21 0.99 -0.81 0.00 0.00 175.30 175.60 3eey s THR 168 N 0.16 2.35 -0.09 4.11 2.01 0.48 -5.01 115.64 119.65 3eey s THR 168 Ca -0.06 -0.92 -0.05 0.00 0.31 0.00 0.00 61.69 60.97 3eey s THR 168 Cb -0.15 -1.92 0.04 0.00 0.01 0.00 0.00 72.50 70.48 3eey s THR 168 CO 0.04 0.55 0.21 -0.62 -0.69 0.00 0.00 174.62 174.12 3eey s ASP 169 N 0.27 -0.21 -0.76 3.53 -1.08 -1.26 -2.28 116.67 114.88 3eey s ASP 169 Ca -0.15 0.44 -0.17 0.00 -0.52 0.00 0.00 52.55 52.16 3eey s ASP 169 Cb -0.17 0.36 0.16 0.00 -1.46 0.00 0.00 42.92 41.80 3eey s ASP 169 CO 0.07 -0.14 0.80 -0.36 0.52 0.00 0.00 175.17 176.07 3eey s PHE 170 N 1.00 3.36 -0.97 -5.34 0.08 -1.26 -4.94 117.98 109.91 3eey s PHE 170 Ca -0.07 -1.50 0.29 0.00 0.12 0.00 0.00 56.93 55.76 3eey s PHE 170 Cb -0.09 -3.98 1.18 0.00 -0.57 0.00 0.00 43.02 39.56 3eey s PHE 170 CO -0.06 -1.19 1.90 0.44 -0.10 0.00 0.00 175.22 176.21 3eey n ILE 171 N 4.88 0.07 0.76 0.64 -5.35 -1.26 -3.06 119.36 116.04 3eey n ILE 171 Ca 0.07 -0.03 0.11 0.00 -0.27 0.00 0.00 62.75 62.62 3eey n ILE 171 Cb 0.45 -0.50 0.11 0.00 -1.74 0.00 0.00 39.64 37.97 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 -1.59 2.92 -4.84 7.28 6.94 -1.26 -4.95 115.26 119.76 3eey n ASN 172 Ca 0.07 -1.92 -0.38 0.00 -0.02 0.00 0.00 54.58 52.33 3eey n ASN 172 Cb 0.35 -0.05 -0.06 0.00 -2.36 0.00 0.00 39.78 37.66 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 -1.72 3.84 0.64 -3.83 -0.21 -1.17 -5.11 119.66 112.10 3eey s GLN 173 Ca 0.28 0.33 0.03 0.00 0.02 0.00 0.00 55.36 56.01 3eey s GLN 173 Cb 0.19 -3.21 0.10 0.00 1.00 0.00 0.00 33.01 31.09 3eey s GLN 173 CO 0.28 0.70 0.88 0.00 -2.12 0.00 0.00 175.29 175.03 3eey s ALA 174 N -1.08 4.08 -1.17 6.09 0.00 -1.26 -4.64 121.76 123.78 3eey s ALA 174 Ca 0.23 -1.81 -0.01 0.00 0.00 0.00 0.00 51.96 50.37 3eey s ALA 174 Cb -0.16 -1.82 -0.01 0.00 0.00 0.00 0.00 23.12 21.13 3eey s ALA 174 CO 0.12 -1.13 0.98 -1.71 0.00 0.00 0.00 175.76 174.03 3eey n ASN 175 N -2.54 -2.45 -3.55 0.00 5.15 -1.26 -4.25 115.26 106.36 3eey n ASN 175 Ca 0.14 -0.62 -0.21 0.00 -0.60 0.00 0.00 54.58 53.28 3eey n ASN 175 Cb 0.61 -5.08 0.01 0.00 -0.53 0.00 0.00 39.78 34.78 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 -4.02 4.36 0.33 0.00 0.04 -1.26 -4.76 135.00 129.69 3eey s PRO 177 Ca 0.08 2.09 -0.28 0.00 0.04 0.00 0.00 61.00 62.93 3eey s PRO 177 Cb -0.01 -3.20 -0.13 0.00 0.04 0.00 0.00 34.50 31.21 3eey s PRO 177 CO 0.86 -0.31 1.20 -2.30 0.04 0.00 0.00 177.00 176.48 3eey n PRO 178 N 2.88 1.87 -3.87 0.56 -0.02 -1.26 -4.87 135.00 130.28 3eey n PRO 178 Ca 0.07 0.66 -0.37 0.00 -2.02 0.00 0.00 63.50 61.84 3eey n PRO 178 Cb 0.42 -2.18 -0.06 0.00 -0.02 0.00 0.00 33.50 31.66 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 -1.10 5.49 -0.17 4.25 1.01 -1.13 -4.58 121.20 124.98 3eey s ILE 179 Ca 0.57 0.21 -0.05 0.00 0.00 0.00 0.00 60.65 61.38 3eey s ILE 179 Cb -0.60 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 3eey s ILE 179 CO 0.61 0.60 -0.01 -0.22 0.00 0.00 0.00 174.94 175.93 3eey s LEU 180 N -1.08 3.37 -0.13 2.97 2.96 -0.97 -1.91 118.68 123.89 3eey s LEU 180 Ca 0.16 -0.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.97 3eey s LEU 180 Cb -0.12 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 3eey s LEU 180 CO 0.05 0.15 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.39 3eey s VAL 181 N 0.50 2.88 -0.19 1.68 1.01 -0.78 -0.39 120.40 125.12 3eey s VAL 181 Ca -0.02 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 3eey s VAL 181 Cb -0.14 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.04 3eey s VAL 181 CO 0.02 0.52 -0.12 0.00 0.00 0.00 0.00 175.10 175.52 3eey s ILE 183 N 1.21 3.91 -0.11 0.00 1.01 -0.19 -0.45 121.20 126.58 3eey s ILE 183 Ca 0.02 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.38 3eey s ILE 183 Cb -0.14 -2.78 0.01 0.00 0.01 0.00 0.00 42.46 39.55 3eey s ILE 183 CO -0.05 0.41 -0.21 -0.70 0.00 0.00 0.00 174.94 174.38 3eey s GLU 184 N 1.23 2.84 0.01 2.79 2.12 0.07 -0.21 118.70 127.55 3eey s GLU 184 Ca 0.03 -0.80 -0.30 0.00 0.36 0.00 0.00 54.97 54.27 3eey s GLU 184 Cb -0.15 -2.23 -0.04 0.00 0.26 0.00 0.00 34.13 31.97 3eey s GLU 184 CO 0.01 0.07 1.10 0.21 -0.54 0.00 0.00 175.26 176.11 3eey s LYS 185 N 0.62 4.47 -0.00 4.30 2.20 -0.96 -0.67 119.74 129.70 3eey s LYS 185 Ca -0.13 1.60 0.01 0.00 -0.36 0.00 0.00 55.97 57.09 3eey s LYS 185 Cb -0.17 -3.43 -0.01 0.00 -1.51 0.00 0.00 37.83 32.71 3eey s LYS 185 CO 0.03 -0.20 0.02 0.44 -0.36 0.00 0.00 175.35 175.28 3eey n ILE 186 N 4.04 0.00 -3.77 5.43 -5.35 0.40 0.31 119.36 120.43 3eey n ILE 186 Ca 0.08 -0.11 -0.12 0.00 -0.27 0.00 0.00 62.75 62.33 3eey n ILE 186 Cb 0.48 0.58 -0.08 0.00 -1.74 0.00 0.00 39.64 38.88 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 -1.91 -0.13 0.02 7.28 0.15 -1.13 -4.86 113.70 113.12 3eey s SER 187 Ca -0.00 -0.12 -0.23 0.00 0.70 0.00 0.00 55.95 56.31 3eey s SER 187 Cb 0.01 0.33 -0.05 0.00 -1.71 0.00 0.00 66.02 64.60 3eey s SER 187 CO 0.04 -0.55 0.68 -1.61 1.20 0.00 0.00 173.24 172.99 3eey s GLU 188 N -2.14 4.41 0.00 5.44 0.41 -1.26 -4.66 118.70 120.90 3eey s GLU 188 Ca -0.08 0.90 0.22 0.00 -0.41 0.00 0.00 54.97 55.60 3eey s GLU 188 Cb -0.02 -3.35 1.34 0.00 -1.78 0.00 0.00 34.13 30.31 3eey s GLU 188 CO -0.01 0.32 1.71 0.41 -0.49 0.00 0.00 175.26 177.21