#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 0.00 0.07 1.96 2.01 -1.26 -5.13 115.64 113.29 3eey s THR 2 Ca 0.00 -0.03 -0.31 0.00 0.31 0.00 0.00 61.69 61.67 3eey s THR 2 Cb 0.00 -0.80 -0.08 0.00 0.01 0.00 0.00 72.50 71.63 3eey s THR 2 CO 0.00 -0.01 1.60 -0.63 -0.69 0.00 0.00 174.62 174.89 3eey s ILE 3 N 0.09 3.12 0.50 1.82 1.01 -1.26 -5.00 121.20 121.50 3eey s ILE 3 Ca -0.02 0.59 -0.12 0.00 0.00 0.00 0.00 60.65 61.11 3eey s ILE 3 Cb -0.04 -3.38 -0.06 0.00 0.01 0.00 0.00 42.46 38.99 3eey s ILE 3 CO 0.02 0.00 0.91 -0.54 0.00 0.00 0.00 174.94 175.33 3eey s LYS 4 N 2.46 3.76 1.25 2.79 1.02 -1.26 -5.09 119.74 124.68 3eey s LYS 4 Ca 0.72 0.66 -0.20 0.00 0.02 0.00 0.00 55.97 57.17 3eey s LYS 4 Cb -0.39 -2.23 0.30 0.00 -0.52 0.00 0.00 37.83 35.00 3eey s LYS 4 CO 0.31 -0.27 1.05 0.54 -0.92 0.00 0.00 175.35 176.07 3eey s ASN 5 N -3.51 0.43 0.23 2.83 4.22 -1.26 -4.65 114.94 113.23 3eey s ASN 5 Ca 0.54 0.76 -0.08 0.00 -2.14 0.00 0.00 52.86 51.94 3eey s ASN 5 Cb -0.10 -1.09 0.20 0.00 1.28 0.00 0.00 41.25 41.54 3eey s ASN 5 CO 0.39 -4.44 1.88 0.28 -2.04 0.00 0.00 177.10 173.18 3eey h SER 6 N -2.79 1.03 -0.56 3.54 0.02 -1.95 0.08 113.55 112.92 3eey h SER 6 Ca -0.46 -0.05 0.01 0.00 -0.84 0.00 0.00 61.79 60.45 3eey h SER 6 Cb 1.31 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.56 3eey h SER 6 CO 0.35 0.77 0.37 0.25 -1.14 0.00 0.00 176.83 177.43 3eey h LEU 7 N 1.19 0.64 -0.55 5.07 5.85 -1.92 -1.76 115.31 123.82 3eey h LEU 7 Ca 0.31 -0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.88 3eey h LEU 7 Cb -0.08 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 3eey h LEU 7 CO -0.06 0.46 -0.29 1.23 -0.34 0.00 0.00 178.44 179.44 3eey h GLY 8 N 0.76 0.92 1.95 3.75 0.00 -1.77 -3.19 103.07 105.49 3eey h GLY 8 Ca 0.20 -0.86 -0.11 0.00 0.00 0.00 0.00 47.33 46.56 3eey h GLY 8 CO -0.04 0.78 -0.51 1.46 0.00 0.00 0.00 176.54 178.22 3eey h GLN 9 N 0.72 0.06 -0.89 4.80 4.20 -0.88 -2.87 115.11 120.25 3eey h GLN 9 Ca 0.08 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 3eey h GLN 9 Cb 0.85 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.59 3eey h GLN 9 CO 0.07 0.56 0.47 0.66 -0.67 0.00 0.00 178.83 179.92 3eey h SER 10 N 0.05 1.12 -0.60 1.46 4.64 -1.30 -0.63 113.55 118.29 3eey h SER 10 Ca -0.00 -0.11 -0.08 0.00 -0.47 0.00 0.00 61.79 61.13 3eey h SER 10 Cb 0.92 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 62.70 3eey h SER 10 CO 0.07 0.91 0.05 0.45 -0.87 0.00 0.00 176.83 177.44 3eey h HIS 11 N 1.25 1.10 -0.70 4.77 3.86 -1.58 -1.26 115.15 122.59 3eey h HIS 11 Ca 0.31 -0.17 -0.05 0.00 -1.16 0.00 0.00 60.37 59.30 3eey h HIS 11 Cb 0.05 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.20 3eey h HIS 11 CO 0.01 0.96 0.23 -0.44 0.86 0.00 0.00 177.93 179.56 3eey h ASP 12 N 0.92 1.00 -0.24 2.45 3.32 -1.27 -1.00 116.42 121.61 3eey h ASP 12 Ca 0.18 -0.20 -0.10 0.00 0.02 0.00 0.00 57.03 56.92 3eey h ASP 12 Cb 0.49 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3eey h ASP 12 CO 0.02 0.93 -0.20 1.88 -1.72 0.00 0.00 179.24 180.15 3eey h TYR 13 N 1.01 0.77 -0.13 4.55 -1.99 -1.01 -2.63 116.97 117.56 3eey h TYR 13 Ca 0.23 -0.16 -0.03 0.00 2.00 0.00 0.00 58.73 60.77 3eey h TYR 13 Cb 0.28 -0.19 -0.00 0.00 2.00 0.00 0.00 36.73 38.81 3eey h TYR 13 CO 0.02 0.84 -0.02 0.82 -0.00 0.00 0.00 178.16 179.82 3eey h ILE 14 N 0.61 1.27 -0.57 -2.88 1.08 -1.02 -3.04 117.51 112.96 3eey h ILE 14 Ca 0.09 -0.91 0.11 0.00 -0.39 0.00 0.00 64.86 63.76 3eey h ILE 14 Cb 0.68 1.62 -0.03 0.00 -3.07 0.00 0.00 36.82 36.01 3eey h ILE 14 CO 0.05 0.27 0.39 0.11 -0.69 0.00 0.00 178.15 178.28 3eey h LYS 15 N -0.05 0.28 -0.27 2.37 1.57 -1.17 0.10 116.57 119.40 3eey h LYS 15 Ca 0.04 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3eey h LYS 15 Cb 0.42 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 3eey h LYS 15 CO 0.01 0.18 0.01 0.52 -0.57 0.00 0.00 179.45 179.60 3eey h MET 16 N 0.29 0.41 0.00 3.15 2.86 -1.36 -3.36 114.93 116.91 3eey h MET 16 Ca 0.27 -0.07 -0.23 0.00 -2.06 0.00 0.00 59.70 57.61 3eey h MET 16 Cb 0.67 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.22 3eey h MET 16 CO -0.06 0.43 -1.86 1.19 1.06 0.00 0.00 176.91 177.67 3eey n PHE 17 N -4.33 0.00 -3.00 -0.22 3.72 -0.39 -4.96 117.46 108.28 3eey n PHE 17 Ca 0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.00 3eey n PHE 17 Cb 0.21 -0.61 -0.05 0.00 -0.94 0.00 0.00 39.48 38.09 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 -2.30 4.91 0.54 -4.37 1.01 0.22 -5.02 120.40 115.39 3eey s VAL 18 Ca -0.10 1.33 0.08 0.00 0.00 0.00 0.00 61.98 63.28 3eey s VAL 18 Cb 0.04 -4.03 0.06 0.00 0.00 0.00 0.00 36.38 32.45 3eey s VAL 18 CO 0.47 -0.03 0.61 -1.59 0.00 0.00 0.00 175.10 174.56 3eey s LYS 19 N 2.68 2.33 0.25 2.72 0.00 -1.26 -4.84 119.74 121.62 3eey s LYS 19 Ca 0.30 -1.75 -0.30 0.00 0.00 0.00 0.00 55.97 54.23 3eey s LYS 19 Cb -0.15 -2.44 -0.09 0.00 0.00 0.00 0.00 37.83 35.14 3eey s LYS 19 CO 0.08 -0.70 1.10 -1.21 0.00 0.00 0.00 175.35 174.62 3eey s GLU 20 N -4.48 4.64 0.00 1.78 2.02 -1.25 -3.40 118.70 118.01 3eey s GLU 20 Ca 0.51 1.77 0.00 0.00 0.02 0.00 0.00 54.97 57.27 3eey s GLU 20 Cb -0.05 -3.21 0.00 0.00 0.10 0.00 0.00 34.13 30.97 3eey s GLU 20 CO 0.32 0.19 0.00 0.41 0.02 0.00 0.00 175.26 176.19 3eey n GLY 21 N 1.43 0.66 3.78 -1.39 0.00 0.13 -4.96 105.19 104.83 3eey n GLY 21 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.68 4.13 -0.21 1.61 1.01 -1.22 -4.38 116.67 114.93 3eey s ASP 22 Ca 0.00 1.35 -0.05 0.00 0.71 0.00 0.00 52.55 54.56 3eey s ASP 22 Cb 0.00 -2.06 -0.02 0.00 1.01 0.00 0.00 42.92 41.86 3eey s ASP 22 CO 0.00 -2.20 -0.01 -0.89 0.21 0.00 0.00 175.17 172.28 3eey s THR 23 N -3.09 3.80 0.20 -1.27 2.01 -1.26 -1.49 115.64 114.53 3eey s THR 23 Ca 0.62 -0.36 0.06 0.00 0.31 0.00 0.00 61.69 62.32 3eey s THR 23 Cb -0.15 -2.73 -0.05 0.00 0.01 0.00 0.00 72.50 69.58 3eey s THR 23 CO 0.55 0.42 -0.09 0.68 -0.69 0.00 0.00 174.62 175.48 3eey s VAL 24 N 1.22 1.41 -0.06 3.82 -7.23 -0.27 -0.46 120.40 118.83 3eey s VAL 24 Ca 0.03 -2.12 0.03 0.00 -1.81 0.00 0.00 61.98 58.12 3eey s VAL 24 Cb -0.15 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.71 3eey s VAL 24 CO 0.01 -0.56 -0.16 -0.69 -0.31 0.00 0.00 175.10 173.39 3eey s VAL 25 N -3.18 1.35 -0.39 1.32 1.01 0.44 -1.54 120.40 119.41 3eey s VAL 25 Ca 0.23 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 3eey s VAL 25 Cb 0.02 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.24 3eey s VAL 25 CO 0.06 0.40 0.24 -0.62 0.00 0.00 0.00 175.10 175.18 3eey s ASP 26 N 0.32 5.86 0.00 3.32 -1.08 0.15 -0.99 116.67 124.25 3eey s ASP 26 Ca -0.10 -1.00 0.27 0.00 -0.52 0.00 0.00 52.55 51.20 3eey s ASP 26 Cb -0.14 -2.07 0.79 0.00 -1.46 0.00 0.00 42.92 40.04 3eey s ASP 26 CO 0.03 -0.42 1.59 0.00 0.52 0.00 0.00 175.17 176.90 3eey n ALA 27 N 5.05 3.12 -3.37 3.66 0.00 -0.21 -1.59 120.51 127.16 3eey n ALA 27 Ca -0.11 -0.35 -0.23 0.00 0.00 0.00 0.00 53.44 52.74 3eey n ALA 27 Cb 0.46 -1.18 -0.09 0.00 0.00 0.00 0.00 19.45 18.63 3eey n ALA 27 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3eey s THR 28 N -2.67 -0.03 0.07 0.00 -4.23 -1.24 -4.57 115.64 102.97 3eey s THR 28 Ca 0.21 -1.67 -0.28 0.00 -1.18 0.00 0.00 61.69 58.76 3eey s THR 28 Cb 0.19 -0.94 -0.17 0.00 1.34 0.00 0.00 72.50 72.91 3eey s THR 28 CO 0.57 -0.87 1.61 0.00 -0.54 0.00 0.00 174.62 175.38 3eey n GLY 30 N -1.13 3.92 0.06 0.00 0.00 -1.26 -1.60 105.19 105.18 3eey n GLY 30 Ca -0.10 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 6.61 0.60 0.00 1.61 3.02 -1.26 -4.41 115.26 121.43 3eey n ASN 31 Ca 0.00 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 3eey n ASN 31 Cb 0.00 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 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 1.37 1.13 0.16 7.41 0.00 -0.63 -3.86 105.19 110.78 3eey n GLY 32 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 0.44 0.46 1.61 2.35 -1.93 -0.20 115.58 118.32 3eey h ASN 33 Ca 0.00 -0.19 -0.13 0.00 -0.55 0.00 0.00 56.30 55.43 3eey h ASN 33 Cb 0.00 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3eey h ASN 33 CO 0.00 0.52 -0.57 0.44 -1.65 0.00 0.00 177.43 176.17 3eey h ASP 34 N 0.34 0.12 -0.09 5.81 3.32 -1.93 -2.13 116.42 121.86 3eey h ASP 34 Ca 0.10 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3eey h ASP 34 Cb 0.23 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 3eey h ASP 34 CO -0.00 0.66 0.02 0.74 -1.72 0.00 0.00 179.24 178.94 3eey h THR 35 N 0.08 1.19 -0.83 0.35 2.02 -1.80 -0.05 112.91 113.87 3eey h THR 35 Ca -0.00 -0.57 -0.04 0.00 0.77 0.00 0.00 66.41 66.57 3eey h THR 35 Cb 1.03 1.41 -0.04 0.00 -1.74 0.00 0.00 68.15 68.81 3eey h THR 35 CO 0.08 0.16 0.38 0.00 0.37 0.00 0.00 175.52 176.52 3eey h ALA 36 N 0.82 1.07 -0.11 6.16 0.00 -1.04 -0.07 119.26 126.08 3eey h ALA 36 Ca 0.03 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3eey h ALA 36 Cb 0.24 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3eey h ALA 36 CO -0.00 0.65 0.07 0.35 0.00 0.00 0.00 179.25 180.32 3eey h PHE 37 N 1.19 0.15 -0.69 0.00 3.57 -1.27 -1.88 116.94 118.01 3eey h PHE 37 Ca 0.28 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.72 3eey h PHE 37 Cb 0.14 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 3eey h PHE 37 CO 0.02 0.15 0.18 -0.07 -2.23 0.00 0.00 178.31 176.35 3eey h LEU 38 N 0.11 1.03 -0.90 0.59 3.38 -0.77 -2.87 115.31 115.88 3eey h LEU 38 Ca 0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3eey h LEU 38 Cb 0.04 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 3eey h LEU 38 CO -0.01 0.98 0.52 0.00 0.09 0.00 0.00 178.44 180.03 3eey h ALA 39 N 1.14 1.14 0.00 1.53 0.00 -0.85 -2.74 119.26 119.49 3eey h ALA 39 Ca 0.22 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3eey h ALA 39 Cb 0.35 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3eey h ALA 39 CO -0.00 0.62 -0.51 0.66 0.00 0.00 0.00 179.25 180.02 3eey h SER 40 N 1.24 0.00 1.08 0.00 4.64 -1.24 -3.05 113.55 116.21 3eey h SER 40 Ca 0.32 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.53 3eey h SER 40 Cb -0.03 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 3eey h SER 40 CO -0.06 0.51 -0.52 -0.07 -0.87 0.00 0.00 176.83 175.82 3eey h LEU 41 N 0.00 0.00 0.00 5.97 3.38 -1.29 -3.35 115.31 120.03 3eey h LEU 41 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3eey h LEU 41 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3eey h LEU 41 CO 0.07 0.52 -1.51 0.55 0.09 0.00 0.00 178.44 178.16 3eey n VAL 42 N -3.42 0.18 -4.06 1.22 3.14 -1.05 -3.79 118.33 110.55 3eey n VAL 42 Ca 0.01 -0.43 0.00 0.00 -2.96 0.00 0.00 64.34 60.96 3eey n VAL 42 Cb 0.66 0.03 -0.00 0.00 -1.06 0.00 0.00 33.84 33.46 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 1.28 -1.96 0.22 7.55 0.00 -1.17 0.18 105.19 111.30 3eey n GLY 43 Ca -0.01 -1.37 -0.09 0.00 0.00 0.00 0.00 46.02 44.55 3eey n GLY 43 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3eey h GLU 44 N 0.00 0.58 -0.22 1.61 5.08 -1.96 -3.16 114.58 116.51 3eey h GLU 44 Ca 0.00 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 3eey h GLU 44 Cb 0.00 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3eey h GLU 44 CO 0.00 0.93 0.00 0.09 -1.00 0.00 0.00 179.01 179.03 3eey n ASN 45 N -3.99 2.00 -4.97 1.42 3.02 -1.26 -4.88 115.26 106.60 3eey n ASN 45 Ca -0.02 -1.78 -0.19 0.00 -0.03 0.00 0.00 54.58 52.55 3eey n ASN 45 Cb 0.56 -0.14 0.04 0.00 -0.61 0.00 0.00 39.78 39.63 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 -1.50 1.85 -0.03 7.41 0.00 -1.19 -4.62 107.32 109.23 3eey s GLY 46 Ca 0.33 -1.65 0.01 0.00 0.00 0.00 0.00 44.72 43.41 3eey s GLY 46 CO 0.26 -1.34 -0.04 -1.60 0.00 0.00 0.00 173.10 170.38 3eey s ARG 47 N -4.62 0.66 -0.16 2.90 6.06 -0.56 -4.76 118.95 118.46 3eey s ARG 47 Ca 0.58 -0.10 0.01 0.00 -2.50 0.00 0.00 55.73 53.72 3eey s ARG 47 Cb -0.09 -0.69 0.01 0.00 0.06 0.00 0.00 34.95 34.24 3eey s ARG 47 CO 0.37 -0.04 -0.18 0.08 -2.50 0.00 0.00 175.30 173.03 3eey s VAL 48 N 0.68 2.36 -0.22 7.11 1.01 -0.20 -1.12 120.40 130.01 3eey s VAL 48 Ca -0.08 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 60.92 3eey s VAL 48 Cb -0.12 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 3eey s VAL 48 CO -0.00 0.52 0.20 -0.36 0.00 0.00 0.00 175.10 175.47 3eey s PHE 49 N 1.03 3.35 -0.01 5.22 0.08 -0.59 -0.45 117.98 126.61 3eey s PHE 49 Ca -0.01 0.33 0.07 0.00 0.12 0.00 0.00 56.93 57.43 3eey s PHE 49 Cb -0.15 -2.30 -0.02 0.00 -0.57 0.00 0.00 43.02 39.98 3eey s PHE 49 CO -0.05 0.09 -0.22 0.20 -0.10 0.00 0.00 175.22 175.14 3eey s GLY 50 N 0.93 1.41 -0.02 4.36 0.00 -0.38 -0.68 107.32 112.94 3eey s GLY 50 Ca 0.10 -1.13 0.03 0.00 0.00 0.00 0.00 44.72 43.72 3eey s GLY 50 CO 0.04 -0.96 -0.11 -1.36 0.00 0.00 0.00 173.10 170.72 3eey s PHE 51 N -0.73 1.08 0.08 1.90 0.08 -0.62 -0.63 117.98 119.15 3eey s PHE 51 Ca 0.11 -0.26 -0.22 0.00 0.12 0.00 0.00 56.93 56.68 3eey s PHE 51 Cb -0.10 -0.74 0.06 0.00 -0.57 0.00 0.00 43.02 41.66 3eey s PHE 51 CO 0.01 -0.09 0.54 0.34 -0.10 0.00 0.00 175.22 175.92 3eey s ASP 52 N 0.05 -0.47 0.00 1.36 -1.08 -1.07 -0.83 116.67 114.64 3eey s ASP 52 Ca -0.01 0.09 0.24 0.00 -0.52 0.00 0.00 52.55 52.35 3eey s ASP 52 Cb -0.08 0.53 0.16 0.00 -1.46 0.00 0.00 42.92 42.07 3eey s ASP 52 CO 0.00 -0.81 1.21 2.30 0.52 0.00 0.00 175.17 178.40 3eey n ILE 53 N 0.11 0.00 -4.49 4.11 -5.35 -1.26 -2.38 119.36 110.10 3eey n ILE 53 Ca -0.18 -0.35 -0.34 0.00 -0.27 0.00 0.00 62.75 61.61 3eey n ILE 53 Cb 0.62 1.28 -0.11 0.00 -1.74 0.00 0.00 39.64 39.69 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 -2.26 3.02 0.27 6.28 -0.21 -1.26 -4.96 119.66 120.54 3eey s GLN 54 Ca 0.24 -0.49 0.03 0.00 0.02 0.00 0.00 55.36 55.16 3eey s GLN 54 Cb 0.19 -2.73 0.38 0.00 1.00 0.00 0.00 33.01 31.86 3eey s GLN 54 CO 0.45 0.59 1.68 -0.44 -2.12 0.00 0.00 175.29 175.45 3eey h ASP 55 N 5.52 0.40 -0.78 5.90 3.32 -2.00 -2.52 116.42 126.26 3eey h ASP 55 Ca -0.46 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 56.38 3eey h ASP 55 Cb 1.18 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 3eey h ASP 55 CO 0.55 0.74 0.27 0.50 -1.72 0.00 0.00 179.24 179.58 3eey h LYS 56 N 0.32 1.19 -0.18 3.56 3.64 -1.99 -2.31 116.57 120.80 3eey h LYS 56 Ca 0.03 -0.24 -0.21 0.00 -1.27 0.00 0.00 60.65 58.97 3eey h LYS 56 Cb 0.80 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.45 3eey h LYS 56 CO 0.06 0.98 -0.71 0.00 -2.27 0.00 0.00 179.45 177.51 3eey h ALA 57 N 1.15 0.40 -0.60 5.00 0.00 -1.77 -2.15 119.26 121.29 3eey h ALA 57 Ca 0.25 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 3eey h ALA 57 Cb 0.27 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3eey h ALA 57 CO -0.01 0.69 0.15 0.82 0.00 0.00 0.00 179.25 180.90 3eey h ILE 58 N 0.53 1.25 -0.51 0.00 1.08 -1.43 -1.98 117.51 116.45 3eey h ILE 58 Ca -0.03 -0.90 -0.08 0.00 -0.39 0.00 0.00 64.86 63.46 3eey h ILE 58 Cb 1.33 0.69 -0.02 0.00 -3.07 0.00 0.00 36.82 35.75 3eey h ILE 58 CO 0.15 0.34 0.02 0.00 -0.69 0.00 0.00 178.15 177.96 3eey h ALA 59 N 1.04 0.69 -0.20 1.87 0.00 -1.40 -0.22 119.26 121.03 3eey h ALA 59 Ca 0.19 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3eey h ALA 59 Cb 0.35 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3eey h ALA 59 CO 0.00 0.48 -0.30 -0.91 0.00 0.00 0.00 179.25 178.52 3eey h ASN 60 N 0.76 0.40 -0.02 0.00 2.35 -1.34 -0.70 115.58 117.04 3eey h ASN 60 Ca 0.15 -0.14 -0.23 0.00 -0.55 0.00 0.00 56.30 55.52 3eey h ASN 60 Cb 0.49 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.76 3eey h ASN 60 CO 0.02 0.69 -0.85 0.74 -1.65 0.00 0.00 177.43 176.39 3eey h THR 61 N 0.35 1.30 -0.46 2.81 2.02 -1.23 -1.98 112.91 115.72 3eey h THR 61 Ca 0.05 -2.09 -0.02 0.00 0.77 0.00 0.00 66.41 65.12 3eey h THR 61 Cb 0.71 2.12 -0.02 0.00 -1.74 0.00 0.00 68.15 69.22 3eey h THR 61 CO 0.05 0.65 0.22 0.74 0.37 0.00 0.00 175.52 177.55 3eey h THR 62 N 0.45 1.19 -0.41 3.16 2.02 -0.87 -1.72 112.91 116.73 3eey h THR 62 Ca -0.07 -0.54 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 3eey h THR 62 Cb 1.47 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 3eey h THR 62 CO 0.17 0.21 0.24 0.50 0.37 0.00 0.00 175.52 177.00 3eey h LYS 63 N 0.60 0.56 0.03 6.66 3.64 -1.14 -2.08 116.57 124.83 3eey h LYS 63 Ca 0.16 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3eey h LYS 63 Cb 0.13 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 3eey h LYS 63 CO -0.02 0.43 -0.15 0.87 -2.27 0.00 0.00 179.45 178.32 3eey h LYS 64 N 0.54 -0.25 -0.11 1.90 1.79 -1.23 -2.24 116.57 116.97 3eey h LYS 64 Ca 0.15 0.02 -0.14 0.00 -2.18 0.00 0.00 60.65 58.49 3eey h LYS 64 Cb 0.02 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 3eey h LYS 64 CO -0.03 -0.17 -0.56 -0.07 -1.08 0.00 0.00 179.45 177.55 3eey h LEU 65 N -0.26 0.37 -0.56 2.94 3.38 -1.25 -2.75 115.31 117.17 3eey h LEU 65 Ca 0.04 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.67 3eey h LEU 65 Cb 0.31 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3eey h LEU 65 CO -0.13 0.85 -0.40 0.74 0.09 0.00 0.00 178.44 179.59 3eey h THR 66 N 0.25 1.29 -0.09 0.22 2.02 -1.39 0.39 112.91 115.61 3eey h THR 66 Ca 0.00 -1.58 -0.02 0.00 0.77 0.00 0.00 66.41 65.58 3eey h THR 66 Cb 1.06 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.96 3eey h THR 66 CO 0.09 0.51 -0.06 0.44 0.37 0.00 0.00 175.52 176.87 3eey h ASP 67 N 0.58 0.11 -0.57 4.18 5.19 -1.22 -2.94 116.42 121.75 3eey h ASP 67 Ca 0.05 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 3eey h ASP 67 Cb 0.94 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.42 3eey h ASP 67 CO 0.09 0.20 0.00 0.18 -3.12 0.00 0.00 179.24 176.59 3eey n LEU 68 N -4.39 3.72 -3.65 1.55 4.77 -1.06 -4.97 117.00 112.97 3eey n LEU 68 Ca -0.02 -2.10 -0.22 0.00 -0.03 0.00 0.00 56.01 53.65 3eey n LEU 68 Cb 0.18 -0.42 0.05 0.00 -2.33 0.00 0.00 43.42 40.91 3eey n LEU 68 CO 0.36 0.87 0.05 -3.20 -1.33 0.00 0.00 177.39 174.13 3eey n ASN 69 N 1.11 -2.57 0.00 -1.43 5.15 -0.96 -4.92 115.26 111.64 3eey n ASN 69 Ca 0.20 -0.73 0.00 0.00 -0.60 0.00 0.00 54.58 53.46 3eey n ASN 69 Cb 0.60 -4.44 0.00 0.00 -0.53 0.00 0.00 39.78 35.41 3eey n ASN 69 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3eey n LEU 70 N -4.38 0.41 0.30 1.20 4.77 0.13 -4.78 117.00 114.65 3eey n LEU 70 Ca -0.21 -0.54 0.19 0.00 -0.03 0.00 0.00 56.01 55.42 3eey n LEU 70 Cb 0.64 0.00 0.89 0.00 -2.33 0.00 0.00 43.42 42.62 3eey n LEU 70 CO 0.67 0.10 1.06 -0.29 -1.33 0.00 0.00 177.39 177.60 3eey h ILE 71 N 0.21 0.07 -0.83 -0.08 6.09 -1.83 -3.18 117.51 117.96 3eey h ILE 71 Ca 0.00 -0.34 -0.01 0.00 -1.37 0.00 0.00 64.86 63.14 3eey h ILE 71 Cb 0.11 1.31 -0.04 0.00 0.47 0.00 0.00 36.82 38.67 3eey h ILE 71 CO 0.00 0.02 0.48 0.44 -3.07 0.00 0.00 178.15 176.02 3eey h ASP 72 N 0.00 1.02 -0.09 2.19 3.32 -1.90 -2.92 116.42 118.04 3eey h ASP 72 Ca -0.00 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3eey h ASP 72 Cb 0.31 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3eey h ASP 72 CO 0.00 0.81 0.00 -2.11 -1.72 0.00 0.00 179.24 176.22 3eey n ARG 73 N -4.42 1.95 -4.34 3.56 0.00 -1.20 -4.89 116.66 107.32 3eey n ARG 73 Ca 0.08 -1.39 -0.34 0.00 -0.00 0.00 0.00 57.85 56.20 3eey n ARG 73 Cb 0.08 -1.46 -0.13 0.00 -0.00 0.00 0.00 32.46 30.94 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 -1.91 3.45 -0.44 8.89 1.01 -1.10 -1.04 120.40 129.26 3eey s VAL 74 Ca 0.34 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.69 3eey s VAL 74 Cb 0.20 -2.51 0.07 0.00 0.00 0.00 0.00 36.38 34.13 3eey s VAL 74 CO 0.31 0.48 0.33 -0.89 0.00 0.00 0.00 175.10 175.33 3eey s THR 75 N 0.77 4.91 -0.15 3.92 2.01 0.40 -4.96 115.64 122.54 3eey s THR 75 Ca -0.03 -1.10 -0.20 0.00 0.31 0.00 0.00 61.69 60.67 3eey s THR 75 Cb -0.15 -3.92 -0.03 0.00 0.01 0.00 0.00 72.50 68.41 3eey s THR 75 CO 0.02 -0.51 0.58 -0.76 -0.69 0.00 0.00 174.62 173.26 3eey s LEU 76 N 1.58 4.21 -0.14 4.42 1.43 -1.26 -1.25 118.68 127.67 3eey s LEU 76 Ca 0.04 0.86 0.02 0.00 -1.03 0.00 0.00 54.13 54.02 3eey s LEU 76 Cb -0.23 -2.83 0.01 0.00 0.03 0.00 0.00 46.19 43.17 3eey s LEU 76 CO 0.06 -0.15 -0.21 -0.63 0.23 0.00 0.00 176.35 175.65 3eey s ILE 77 N 1.30 1.99 -1.26 -0.59 1.01 0.20 -4.97 121.20 118.89 3eey s ILE 77 Ca 0.29 -0.93 -0.12 0.00 0.00 0.00 0.00 60.65 59.88 3eey s ILE 77 Cb -0.16 -1.77 0.15 0.00 0.01 0.00 0.00 42.46 40.69 3eey s ILE 77 CO 0.12 0.53 1.68 1.17 0.00 0.00 0.00 174.94 178.44 3eey n LYS 78 N 4.20 3.43 -3.84 2.79 4.81 -1.26 -2.58 118.16 125.70 3eey n LYS 78 Ca -0.20 -3.61 -0.10 0.00 -0.87 0.00 0.00 58.31 53.54 3eey n LYS 78 Cb 0.51 -3.04 -0.05 0.00 0.02 0.00 0.00 35.03 32.46 3eey n LYS 78 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3eey s ASP 79 N 2.17 -0.11 0.55 3.14 2.15 -1.00 -4.93 116.67 118.64 3eey s ASP 79 Ca 0.43 -0.66 -0.20 0.00 0.43 0.00 0.00 52.55 52.55 3eey s ASP 79 Cb 0.04 0.51 -0.05 0.00 -0.30 0.00 0.00 42.92 43.11 3eey s ASP 79 CO 0.00 -0.97 1.16 -0.83 -0.17 0.00 0.00 175.17 174.36 3eey s GLY 80 N -2.91 2.68 0.33 2.66 0.00 -1.26 -3.46 107.32 105.35 3eey s GLY 80 Ca 0.13 0.90 0.26 0.00 0.00 0.00 0.00 44.72 46.00 3eey s GLY 80 CO -0.02 1.28 1.78 1.12 0.00 0.00 0.00 173.10 177.26 3eey h HIS 81 N 1.17 0.00 0.00 1.90 2.07 -1.92 -2.13 115.15 116.23 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 1.27 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.25 3eey h HIS 81 CO 0.50 0.00 0.00 -0.56 -3.07 0.00 0.00 177.93 174.80 3eey h GLN 82 N 0.00 0.00 -0.48 5.12 -0.00 -1.91 -2.83 115.11 115.01 3eey h GLN 82 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.57 3eey h GLN 82 Cb 0.37 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.80 3eey h GLN 82 CO 0.00 0.00 0.07 0.09 -0.00 0.00 0.00 178.83 178.99 3eey n ASN 83 N -2.76 4.43 0.27 0.06 3.02 -0.80 -4.59 115.26 114.90 3eey n ASN 83 Ca 0.00 -3.14 0.16 0.00 -0.03 0.00 0.00 54.58 51.57 3eey n ASN 83 Cb 0.21 -0.64 0.73 0.00 -0.61 0.00 0.00 39.78 39.47 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 2.45 0.00 0.00 3.52 -0.00 -1.64 -2.68 114.93 116.58 3eey h MET 84 Ca 0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.78 3eey h MET 84 Cb 1.85 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.44 3eey h MET 84 CO 0.45 0.06 -0.10 0.38 -0.00 0.00 0.00 176.91 177.70 3eey h ASP 85 N 0.00 0.00 0.92 -0.10 2.03 -1.84 -2.65 116.42 114.78 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 0.45 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.95 3eey h ASP 85 CO 0.01 0.10 0.00 0.11 -1.03 0.00 0.00 179.24 178.43 3eey h LYS 86 N 0.00 0.00 0.00 4.15 1.57 -1.86 -3.31 116.57 117.12 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 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3eey h LYS 86 CO 0.01 0.00 -0.69 0.66 -0.57 0.00 0.00 179.45 178.86 3eey n TYR 87 N -2.32 0.00 -4.72 -1.35 4.01 -1.06 -5.01 117.16 106.71 3eey n TYR 87 Ca 0.03 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.51 3eey n TYR 87 Cb 0.28 -0.02 -0.16 0.00 -0.31 0.00 0.00 39.34 39.13 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 -1.73 1.32 0.00 -0.72 1.01 -1.02 -5.00 121.20 115.05 3eey s ILE 88 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.04 3eey s ILE 88 Cb 0.01 -1.17 0.00 0.00 0.01 0.00 0.00 42.46 41.31 3eey s ILE 88 CO 0.05 0.39 0.00 -0.90 0.00 0.00 0.00 174.94 174.48 3eey n ASP 89 N 3.58 3.08 -4.86 3.58 5.75 -1.26 -4.64 116.55 121.78 3eey n ASP 89 Ca -0.21 -0.11 -0.31 0.00 -0.01 0.00 0.00 54.79 54.15 3eey n ASP 89 Cb 0.52 0.83 -0.04 0.00 -1.03 0.00 0.00 41.12 41.40 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 -3.90 4.28 0.07 0.00 0.02 -1.26 -4.96 135.00 129.25 3eey s PRO 91 Ca 0.55 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.85 3eey s PRO 91 Cb -0.10 -3.12 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 3eey s PRO 91 CO 0.30 -0.39 0.21 0.14 -0.33 0.00 0.00 177.00 176.92 3eey s VAL 92 N -0.05 5.33 -0.03 3.83 -7.23 0.50 -4.70 120.40 118.05 3eey s VAL 92 Ca 0.59 -0.43 -0.02 0.00 -1.81 0.00 0.00 61.98 60.31 3eey s VAL 92 Cb -0.41 -3.61 -0.27 0.00 0.56 0.00 0.00 36.38 32.65 3eey s VAL 92 CO 0.43 0.13 0.70 0.50 -0.31 0.00 0.00 175.10 176.56 3eey h LYS 93 N 3.05 0.23 -2.79 4.82 1.63 -1.08 0.49 116.57 122.92 3eey h LYS 93 Ca -0.45 -0.39 -0.11 0.00 -0.85 0.00 0.00 60.65 58.84 3eey h LYS 93 Cb 1.16 0.15 -0.21 0.00 -0.60 0.00 0.00 32.23 32.73 3eey h LYS 93 CO 0.75 1.06 -0.20 0.00 -3.45 0.00 0.00 179.45 177.62 3eey s ALA 94 N -2.60 -1.00 -0.03 5.00 0.00 -1.25 -1.17 121.76 120.71 3eey s ALA 94 Ca -0.12 0.75 0.03 0.00 0.00 0.00 0.00 51.96 52.62 3eey s ALA 94 Cb 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.99 3eey s ALA 94 CO 0.83 -0.25 -0.10 0.08 0.00 0.00 0.00 175.76 176.32 3eey s VAL 95 N -0.77 0.86 -0.15 0.00 1.01 -0.53 -0.42 120.40 120.40 3eey s VAL 95 Ca -0.08 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 3eey s VAL 95 Cb -0.04 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 3eey s VAL 95 CO 0.04 0.27 -0.13 -0.04 0.00 0.00 0.00 175.10 175.24 3eey s MET 96 N 0.18 3.33 -0.10 2.72 -1.94 -0.16 -1.76 119.30 121.56 3eey s MET 96 Ca -0.03 -0.70 0.02 0.00 -1.71 0.00 0.00 55.69 53.27 3eey s MET 96 Cb -0.09 -2.69 -0.01 0.00 2.01 0.00 0.00 34.83 34.05 3eey s MET 96 CO 0.01 0.08 -0.16 -0.06 -0.01 0.00 0.00 175.02 174.88 3eey s PHE 97 N 0.68 2.73 -0.31 -0.03 0.08 0.03 -1.05 117.98 120.11 3eey s PHE 97 Ca -0.06 -0.61 0.00 0.00 0.12 0.00 0.00 56.93 56.38 3eey s PHE 97 Cb -0.15 -1.76 0.10 0.00 -0.57 0.00 0.00 43.02 40.63 3eey s PHE 97 CO 0.02 -0.16 0.08 1.21 -0.10 0.00 0.00 175.22 176.27 3eey s ASN 98 N 0.10 4.11 -0.03 1.36 3.84 -1.26 -1.26 114.94 121.79 3eey s ASN 98 Ca -0.07 -1.68 -0.21 0.00 0.21 0.00 0.00 52.86 51.12 3eey s ASN 98 Cb -0.15 -1.01 -0.05 0.00 -0.55 0.00 0.00 41.25 39.49 3eey s ASN 98 CO 0.05 -0.39 0.60 -0.76 -2.79 0.00 0.00 177.10 173.80 3eey s LEU 99 N 1.48 4.37 0.00 3.21 1.43 -0.23 -4.90 118.68 124.05 3eey s LEU 99 Ca 0.09 1.11 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 3eey s LEU 99 Cb -0.18 -2.92 0.00 0.00 0.03 0.00 0.00 46.19 43.13 3eey s LEU 99 CO -0.20 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.03 3eey n GLY 100 N 2.71 0.85 4.01 -3.19 0.00 -1.26 -3.06 105.19 105.24 3eey n GLY 100 Ca -0.06 -1.74 -0.18 0.00 0.00 0.00 0.00 46.02 44.04 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 -3.46 2.59 0.21 1.61 1.13 -1.26 -2.36 117.35 115.81 3eey s TYR 101 Ca 0.00 -0.37 -0.31 0.00 -1.41 0.00 0.00 57.07 54.98 3eey s TYR 101 Cb 0.00 -2.45 -0.11 0.00 -1.10 0.00 0.00 41.96 38.30 3eey s TYR 101 CO 0.00 -0.65 1.63 -1.17 -2.51 0.00 0.00 175.55 172.86 3eey s LEU 102 N -4.50 4.37 0.16 -3.49 2.96 -1.25 -4.95 118.68 111.98 3eey s LEU 102 Ca 0.57 2.79 -0.15 0.00 -0.22 0.00 0.00 54.13 57.11 3eey s LEU 102 Cb -0.09 -3.61 0.10 0.00 0.50 0.00 0.00 46.19 43.09 3eey s LEU 102 CO 0.35 -0.90 1.73 -0.65 -1.32 0.00 0.00 176.35 175.57 3eey h PRO 103 N 6.36 0.22 -3.00 0.98 0.11 -1.98 -3.40 132.00 131.29 3eey h PRO 103 Ca -0.44 -0.01 -0.54 0.00 0.11 0.00 0.00 66.00 65.12 3eey h PRO 103 Cb 1.21 -0.05 -0.40 0.00 0.11 0.00 0.00 31.00 31.87 3eey h PRO 103 CO 0.90 0.15 -0.77 0.45 -0.21 0.00 0.00 178.00 178.52 3eey s SER 104 N -5.33 3.55 0.00 -2.05 0.15 -1.26 -4.96 113.70 103.81 3eey s SER 104 Ca -0.13 -1.31 0.00 0.00 0.70 0.00 0.00 55.95 55.21 3eey s SER 104 Cb 0.13 -0.47 0.00 0.00 -1.71 0.00 0.00 66.02 63.98 3eey s SER 104 CO 0.71 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 175.34 3eey n GLY 105 N 5.16 -2.24 3.16 9.45 0.00 -1.26 -5.13 105.19 114.32 3eey n GLY 105 Ca -0.05 0.73 -0.12 0.00 0.00 0.00 0.00 46.02 46.57 3eey n GLY 105 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3eey s ASP 106 N -3.04 -0.08 -0.62 1.61 3.84 -1.26 -5.08 116.67 112.03 3eey s ASP 106 Ca 0.00 -0.03 0.01 0.00 -0.00 0.00 0.00 52.55 52.54 3eey s ASP 106 Cb 0.00 0.28 0.40 0.00 -1.38 0.00 0.00 42.92 42.22 3eey s ASP 106 CO 0.00 -0.37 1.64 1.41 -0.00 0.00 0.00 175.17 177.85 3eey n HIS 107 N 1.54 3.13 0.00 2.11 8.25 -1.26 -4.34 115.22 124.64 3eey n HIS 107 Ca -0.21 -2.67 0.00 0.00 -0.26 0.00 0.00 57.72 54.57 3eey n HIS 107 Cb 0.56 -0.78 0.00 0.00 1.12 0.00 0.00 29.99 30.89 3eey n HIS 107 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3eey n SER 108 N -0.61 0.78 -4.61 0.41 3.41 -1.26 -5.03 113.62 106.72 3eey n SER 108 Ca 0.50 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.68 3eey n SER 108 Cb 0.53 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 3eey n SER 108 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3eey s ILE 109 N -1.41 4.43 0.17 -1.33 1.01 -1.26 -5.00 121.20 117.81 3eey s ILE 109 Ca 0.00 1.34 -0.06 0.00 0.00 0.00 0.00 60.65 61.93 3eey s ILE 109 Cb 0.00 -4.46 -0.02 0.00 0.01 0.00 0.00 42.46 37.99 3eey s ILE 109 CO 0.00 -0.70 0.22 -0.94 0.00 0.00 0.00 174.94 173.52 3eey s SER 110 N 2.03 0.11 0.45 3.58 1.04 -1.26 -3.94 113.70 115.71 3eey s SER 110 Ca 0.43 -1.06 -0.25 0.00 0.48 0.00 0.00 55.95 55.55 3eey s SER 110 Cb -0.10 0.41 -0.09 0.00 0.10 0.00 0.00 66.02 66.34 3eey s SER 110 CO 0.22 -0.87 1.36 0.35 0.98 0.00 0.00 173.24 175.28 3eey n THR 111 N -0.22 2.78 -4.46 2.02 -2.24 -0.99 -4.97 114.28 106.20 3eey n THR 111 Ca -0.04 -0.50 -0.31 0.00 -2.27 0.00 0.00 64.05 60.93 3eey n THR 111 Cb 0.64 -1.72 -0.11 0.00 -2.10 0.00 0.00 70.33 67.04 3eey n THR 111 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3eey s ARG 112 N -2.38 2.18 0.20 -0.78 1.81 -1.26 -4.80 118.95 113.92 3eey s ARG 112 Ca 0.62 -0.95 -0.10 0.00 -1.72 0.00 0.00 55.73 53.58 3eey s ARG 112 Cb -0.47 -2.29 0.22 0.00 -0.45 0.00 0.00 34.95 31.96 3eey s ARG 112 CO 0.57 0.54 1.78 -1.35 -0.68 0.00 0.00 175.30 176.16 3eey h PRO 113 N 4.20 0.54 -0.31 3.54 0.11 -1.92 -0.84 132.00 137.32 3eey h PRO 113 Ca -0.48 -0.03 -0.01 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 0.35 0.16 0.93 -0.21 0.00 0.00 178.00 179.73 3eey h GLU 114 N 0.55 0.44 -0.02 1.05 3.07 -1.98 -0.88 114.58 116.81 3eey h GLU 114 Ca 0.28 -0.06 -0.20 0.00 -0.50 0.00 0.00 59.36 58.88 3eey h GLU 114 Cb 0.23 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 3eey h GLU 114 CO -0.21 0.39 -0.85 1.79 -1.40 0.00 0.00 179.01 178.74 3eey h THR 115 N 0.37 1.44 -0.23 1.13 1.35 -1.98 -2.26 112.91 112.74 3eey h THR 115 Ca 0.11 -2.45 -0.00 0.00 -0.55 0.00 0.00 66.41 63.51 3eey h THR 115 Cb 0.10 2.36 -0.01 0.00 -1.73 0.00 0.00 68.15 68.87 3eey h THR 115 CO -0.01 0.72 0.13 0.74 -0.25 0.00 0.00 175.52 176.85 3eey h THR 116 N 0.17 1.10 -0.75 6.82 2.02 -1.02 -0.62 112.91 120.64 3eey h THR 116 Ca -0.05 -0.27 -0.05 0.00 0.77 0.00 0.00 66.41 66.82 3eey h THR 116 Cb 1.46 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.70 3eey h THR 116 CO 0.14 0.10 0.29 0.40 0.37 0.00 0.00 175.52 176.82 3eey h ILE 117 N 0.27 1.26 0.25 3.11 2.04 -1.13 0.18 117.51 123.49 3eey h ILE 117 Ca 0.08 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3eey h ILE 117 Cb 0.05 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 3eey h ILE 117 CO -0.01 0.33 -0.23 1.56 0.00 0.00 0.00 178.15 179.80 3eey h GLN 118 N 1.09 -0.49 -0.87 2.37 4.20 -1.31 -1.51 115.11 118.59 3eey h GLN 118 Ca 0.25 0.03 0.09 0.00 0.06 0.00 0.00 58.65 59.08 3eey h GLN 118 Cb 0.23 0.11 -0.07 0.00 0.30 0.00 0.00 27.48 28.04 3eey h GLN 118 CO -0.02 -0.32 0.52 0.00 -0.67 0.00 0.00 178.83 178.34 3eey h ALA 119 N 0.17 1.24 -0.70 3.87 0.00 -0.84 -0.90 119.26 122.11 3eey h ALA 119 Ca -0.01 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3eey h ALA 119 Cb 0.46 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3eey h ALA 119 CO -0.04 0.18 0.30 -0.07 0.00 0.00 0.00 179.25 179.62 3eey h LEU 120 N 0.89 0.94 -0.61 0.00 3.38 -0.77 0.29 115.31 119.44 3eey h LEU 120 Ca 0.41 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.17 3eey h LEU 120 Cb 0.32 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3eey h LEU 120 CO -0.23 0.84 0.18 0.28 0.09 0.00 0.00 178.44 179.61 3eey h SER 121 N 0.98 0.89 -0.38 -0.43 0.02 -0.66 0.08 113.55 114.06 3eey h SER 121 Ca 0.23 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 3eey h SER 121 Cb 0.18 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 3eey h SER 121 CO -0.02 0.87 0.16 0.11 -1.14 0.00 0.00 176.83 176.81 3eey h LYS 122 N 0.87 0.56 -0.82 3.45 1.79 -0.80 -1.78 116.57 119.85 3eey h LYS 122 Ca 0.19 -0.10 -0.01 0.00 -2.18 0.00 0.00 60.65 58.56 3eey h LYS 122 Cb 0.30 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 30.82 3eey h LYS 122 CO -0.00 0.52 0.46 0.00 -1.08 0.00 0.00 179.45 179.35 3eey h ALA 123 N 1.01 1.04 -0.20 3.86 0.00 -0.29 -0.48 119.26 124.20 3eey h ALA 123 Ca 0.13 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3eey h ALA 123 Cb 0.16 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3eey h ALA 123 CO -0.01 0.54 -0.23 0.52 0.00 0.00 0.00 179.25 180.07 3eey h MET 124 N 1.13 0.37 -0.06 0.00 2.86 -0.85 -1.31 114.93 117.07 3eey h MET 124 Ca 0.29 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 3eey h MET 124 Cb 0.00 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.63 3eey h MET 124 CO -0.05 0.58 -0.01 0.93 1.06 0.00 0.00 176.91 179.41 3eey h GLU 125 N 0.33 0.12 0.00 1.72 5.08 -0.98 -3.28 114.58 117.57 3eey h GLU 125 Ca 0.05 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3eey h GLU 125 Cb 0.58 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 3eey h GLU 125 CO 0.04 0.45 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.42 3eey h LEU 126 N -0.22 0.00 -9.87 1.33 3.38 -0.82 -3.45 115.31 105.66 3eey h LEU 126 Ca 0.02 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.46 3eey h LEU 126 Cb 0.40 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.22 3eey h LEU 126 CO 0.01 0.01 0.69 -0.76 0.09 0.00 0.00 178.44 178.48 3eey s LEU 127 N -6.23 4.40 0.53 1.67 1.43 -0.52 -0.37 118.68 119.59 3eey s LEU 127 Ca -0.00 2.76 -0.17 0.00 -1.03 0.00 0.00 54.13 55.70 3eey s LEU 127 Cb 0.10 -3.65 -0.07 0.00 0.03 0.00 0.00 46.19 42.60 3eey s LEU 127 CO 0.53 -0.63 1.01 0.54 0.23 0.00 0.00 176.35 178.02 3eey s VAL 128 N -0.95 4.28 0.21 -1.59 0.11 0.16 -4.77 120.40 117.86 3eey s VAL 128 Ca 0.51 1.12 -0.32 0.00 -2.93 0.00 0.00 61.98 60.37 3eey s VAL 128 Cb -0.42 -3.60 -0.11 0.00 -1.53 0.00 0.00 36.38 30.72 3eey s VAL 128 CO 0.54 -0.60 1.67 0.42 -3.33 0.00 0.00 175.10 173.79 3eey s THR 129 N -2.53 2.17 0.00 5.04 -4.23 -1.26 -1.03 115.64 113.81 3eey s THR 129 Ca 0.61 0.13 0.00 0.00 -1.18 0.00 0.00 61.69 61.24 3eey s THR 129 Cb -0.12 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 70.64 3eey s THR 129 CO 0.32 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 175.02 3eey n GLY 130 N 3.69 0.60 3.95 3.99 0.00 0.72 -5.02 105.19 113.12 3eey n GLY 130 Ca 0.14 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.18 1.62 -0.00 -0.02 0.00 -0.19 -4.90 107.32 101.65 3eey s GLY 131 Ca 0.00 -1.00 0.04 0.00 0.00 0.00 0.00 44.72 43.76 3eey s GLY 131 CO 0.00 -0.78 -0.14 -1.50 0.00 0.00 0.00 173.10 170.68 3eey s ILE 132 N -2.73 1.12 -0.13 0.90 2.07 -0.32 -2.21 121.20 119.90 3eey s ILE 132 Ca 0.52 -0.68 0.01 0.00 -1.41 0.00 0.00 60.65 59.09 3eey s ILE 132 Cb -0.10 -0.95 -0.01 0.00 0.13 0.00 0.00 42.46 41.53 3eey s ILE 132 CO 0.40 0.26 -0.16 -0.63 -1.91 0.00 0.00 174.94 172.90 3eey s ILE 133 N -0.43 2.68 -0.12 2.00 1.01 0.15 -1.46 121.20 125.03 3eey s ILE 133 Ca 0.05 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 3eey s ILE 133 Cb -0.06 -2.11 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 3eey s ILE 133 CO -0.00 0.53 -0.08 0.42 0.00 0.00 0.00 174.94 175.81 3eey s THR 134 N 0.49 3.57 -0.24 2.92 -4.23 -0.72 0.32 115.64 117.75 3eey s THR 134 Ca -0.11 -0.49 0.02 0.00 -1.18 0.00 0.00 61.69 59.93 3eey s THR 134 Cb -0.16 -2.52 0.06 0.00 1.34 0.00 0.00 72.50 71.22 3eey s THR 134 CO 0.05 0.53 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.87 3eey s VAL 135 N 0.05 1.88 -0.39 2.29 1.01 0.13 -0.79 120.40 124.57 3eey s VAL 135 Ca -0.02 -1.38 -0.20 0.00 0.00 0.00 0.00 61.98 60.38 3eey s VAL 135 Cb -0.14 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.23 3eey s VAL 135 CO 0.03 -0.00 0.60 -0.69 0.00 0.00 0.00 175.10 175.04 3eey s VAL 136 N 1.25 4.90 -0.30 2.92 1.01 -0.39 0.15 120.40 129.94 3eey s VAL 136 Ca -0.06 0.30 -0.13 0.00 0.00 0.00 0.00 61.98 62.09 3eey s VAL 136 Cb -0.19 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 3eey s VAL 136 CO -0.06 -0.41 0.27 -0.63 0.00 0.00 0.00 175.10 174.27 3eey s ILE 137 N 2.66 5.25 -0.24 2.22 1.01 0.15 -1.06 121.20 131.19 3eey s ILE 137 Ca 0.22 0.18 -0.09 0.00 0.00 0.00 0.00 60.65 60.95 3eey s ILE 137 Cb -0.15 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 3eey s ILE 137 CO 0.16 0.12 0.13 -0.31 0.00 0.00 0.00 174.94 175.04 3eey s TYR 138 N 1.87 3.24 0.00 3.97 2.02 -1.17 -1.18 117.35 126.10 3eey s TYR 138 Ca 0.10 0.05 0.00 0.00 -0.37 0.00 0.00 57.07 56.84 3eey s TYR 138 Cb -0.16 -2.24 0.00 0.00 -0.40 0.00 0.00 41.96 39.16 3eey s TYR 138 CO 0.11 -0.04 0.00 2.48 -1.57 0.00 0.00 175.55 176.53 3eey n TYR 139 N 4.38 -0.01 -0.13 2.71 4.11 -1.26 -4.67 117.16 122.28 3eey n TYR 139 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.75 3eey n TYR 139 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.86 3eey n TYR 139 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3eey n GLY 140 N 5.00 -0.18 0.00 -7.48 0.00 -1.26 -4.86 105.19 96.41 3eey n GLY 140 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 2.03 0.22 0.18 -0.02 0.00 -1.26 -4.34 105.19 102.00 3eey n GLY 141 Ca 0.00 -1.68 -0.07 0.00 0.00 0.00 0.00 46.02 44.27 3eey n GLY 141 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3eey h ASP 142 N 0.00 0.42 -0.52 1.61 -0.00 -1.98 -1.20 116.42 114.75 3eey h ASP 142 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.03 56.92 3eey h ASP 142 Cb 0.00 -0.09 -0.02 0.00 -0.00 0.00 0.00 39.33 39.22 3eey h ASP 142 CO 0.00 0.30 -0.12 0.00 -0.00 0.00 0.00 179.24 179.43 3eey h THR 143 N 0.52 1.27 -0.05 1.15 1.03 -2.00 -1.42 112.91 113.41 3eey h THR 143 Ca 0.17 -1.27 -0.20 0.00 -0.01 0.00 0.00 66.41 65.10 3eey h THR 143 Cb -0.01 1.02 -0.00 0.00 -1.07 0.00 0.00 68.15 68.09 3eey h THR 143 CO -0.07 0.44 -0.82 1.23 -0.01 0.00 0.00 175.52 176.30 3eey h GLY 144 N 0.86 0.47 0.99 2.99 0.00 -1.74 -2.74 103.07 103.89 3eey h GLY 144 Ca 0.13 -0.72 -0.06 0.00 0.00 0.00 0.00 47.33 46.69 3eey h GLY 144 CO 0.05 0.64 0.11 -2.75 0.00 0.00 0.00 176.54 174.58 3eey h PHE 145 N 0.27 0.89 -0.11 5.60 3.04 -0.97 -1.85 116.94 123.80 3eey h PHE 145 Ca -0.05 -0.11 -0.16 0.00 3.98 0.00 0.00 57.97 61.62 3eey h PHE 145 Cb 1.42 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.67 3eey h PHE 145 CO 0.05 0.79 -0.63 0.93 -2.02 0.00 0.00 178.31 177.44 3eey h GLU 146 N 0.73 0.40 -0.19 1.11 4.39 -1.30 -2.47 114.58 117.24 3eey h GLU 146 Ca 0.16 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.55 3eey h GLU 146 Cb 0.37 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 3eey h GLU 146 CO 0.01 0.90 0.02 1.49 -1.16 0.00 0.00 179.01 180.27 3eey h GLU 147 N 0.29 0.33 -0.15 2.33 4.81 -1.41 -2.00 114.58 118.77 3eey h GLU 147 Ca -0.01 -0.09 0.04 0.00 -0.13 0.00 0.00 59.36 59.17 3eey h GLU 147 Cb 1.17 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.46 3eey h GLU 147 CO 0.11 0.49 -0.13 -0.22 -0.73 0.00 0.00 179.01 178.54 3eey h LYS 148 N 0.11 -0.13 -0.65 1.92 3.11 -1.30 0.32 116.57 119.95 3eey h LYS 148 Ca 0.06 0.01 0.02 0.00 -2.81 0.00 0.00 60.65 57.92 3eey h LYS 148 Cb 0.33 0.03 -0.04 0.00 -1.00 0.00 0.00 32.23 31.55 3eey h LYS 148 CO 0.01 -0.09 0.42 0.93 -2.81 0.00 0.00 179.45 177.90 3eey h GLU 149 N -0.14 0.82 -0.03 1.90 4.39 -1.39 -0.88 114.58 119.25 3eey h GLU 149 Ca 0.10 -0.05 -0.17 0.00 0.34 0.00 0.00 59.36 59.58 3eey h GLU 149 Cb 0.28 -0.18 0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3eey h GLU 149 CO -0.24 0.54 -0.65 0.87 -1.16 0.00 0.00 179.01 178.37 3eey h LYS 150 N 0.84 0.49 -0.33 2.33 1.57 -1.10 -1.56 116.57 118.82 3eey h LYS 150 Ca 0.25 -0.49 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 3eey h LYS 150 Cb -0.05 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3eey h LYS 150 CO -0.07 1.13 0.17 0.28 -0.57 0.00 0.00 179.45 180.39 3eey h VAL 151 N 0.04 1.14 -0.67 0.50 2.07 -0.90 -0.81 116.25 117.63 3eey h VAL 151 Ca -0.07 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 3eey h VAL 151 Cb 1.34 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 3eey h VAL 151 CO 0.13 0.15 0.25 -0.07 0.02 0.00 0.00 177.57 178.04 3eey h LEU 152 N 0.40 0.94 -0.93 2.57 3.38 -1.21 -0.63 115.31 119.82 3eey h LEU 152 Ca 0.11 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3eey h LEU 152 Cb 0.08 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3eey h LEU 152 CO -0.02 0.87 0.16 -0.08 0.09 0.00 0.00 178.44 179.46 3eey h GLU 153 N 0.95 0.94 -0.30 1.13 4.57 -1.11 -0.86 114.58 119.90 3eey h GLU 153 Ca 0.22 -0.20 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 3eey h GLU 153 Cb 0.24 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 3eey h GLU 153 CO -0.01 0.83 0.09 0.35 -1.18 0.00 0.00 179.01 179.08 3eey h PHE 154 N 0.91 0.49 0.00 0.92 3.57 -0.96 -3.20 116.94 118.67 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 0.30 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 3eey h PHE 154 CO 0.02 0.51 -0.28 -0.07 -2.23 0.00 0.00 178.31 176.27 3eey h LEU 155 N 0.33 0.00 -2.21 0.59 3.38 -0.87 -2.26 115.31 114.27 3eey h LEU 155 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3eey h LEU 155 Cb 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3eey h LEU 155 CO -0.00 0.28 -0.06 0.11 0.09 0.00 0.00 178.44 178.86 3eey h LYS 156 N 0.00 0.00 -0.00 1.13 1.57 -1.15 -3.04 116.57 115.07 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 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 3eey h LYS 156 CO 0.04 0.06 -0.40 0.41 -0.57 0.00 0.00 179.45 178.99 3eey n GLY 157 N -0.82 -0.82 3.74 3.86 0.00 -0.85 -4.94 105.19 105.35 3eey n GLY 157 Ca -0.02 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.71 2.64 -0.02 1.61 1.01 -1.15 -4.90 120.40 116.88 3eey s VAL 158 Ca 0.18 0.51 -0.33 0.00 0.00 0.00 0.00 61.98 62.35 3eey s VAL 158 Cb 0.18 -3.33 -0.11 0.00 0.00 0.00 0.00 36.38 33.13 3eey s VAL 158 CO 0.61 0.07 1.89 -0.67 0.00 0.00 0.00 175.10 177.00 3eey n ASP 159 N 2.86 3.70 0.23 3.32 2.03 -1.26 -4.87 116.55 122.56 3eey n ASP 159 Ca 0.09 0.96 0.15 0.00 0.52 0.00 0.00 54.79 56.51 3eey n ASP 159 Cb 0.40 -1.44 0.56 0.00 -0.72 0.00 0.00 41.12 39.92 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 9.42 0.00 0.00 -0.67 3.07 -1.91 -0.25 115.11 124.77 3eey h GLN 160 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.25 3eey h GLN 160 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.82 3eey h GLN 160 CO 0.94 0.00 0.00 0.87 0.09 0.00 0.00 178.83 180.73 3eey h LYS 161 N 0.00 0.00 0.00 0.06 1.57 -2.01 -3.34 116.57 112.84 3eey h LYS 161 Ca 0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 3eey h LYS 161 Cb 0.57 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.83 3eey h LYS 161 CO 0.00 0.00 -1.97 1.63 -0.57 0.00 0.00 179.45 178.54 3eey n LYS 162 N -3.08 1.18 -4.14 3.15 4.76 -0.97 -4.17 118.16 114.89 3eey n LYS 162 Ca 0.03 0.04 -0.15 0.00 -2.87 0.00 0.00 58.31 55.36 3eey n LYS 162 Cb 0.48 -1.35 -0.14 0.00 -1.84 0.00 0.00 35.03 32.18 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 -2.34 0.52 -0.25 2.13 0.08 -0.14 -0.38 117.98 117.59 3eey s PHE 163 Ca -0.14 -0.19 -0.17 0.00 0.12 0.00 0.00 56.93 56.55 3eey s PHE 163 Cb 0.05 -0.33 -0.03 0.00 -0.57 0.00 0.00 43.02 42.14 3eey s PHE 163 CO 0.50 -0.03 0.48 0.42 -0.10 0.00 0.00 175.22 176.49 3eey s ILE 164 N -0.42 5.10 -0.23 0.64 1.01 0.02 -4.16 121.20 123.16 3eey s ILE 164 Ca -0.01 0.83 -0.01 0.00 0.00 0.00 0.00 60.65 61.46 3eey s ILE 164 Cb -0.04 -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 -0.09 -0.69 0.00 0.00 0.00 174.94 174.28 3eey s VAL 165 N 2.09 2.79 -0.15 2.92 1.01 -1.26 -1.04 120.40 126.77 3eey s VAL 165 Ca 0.20 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.30 3eey s VAL 165 Cb -0.16 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 33.90 3eey s VAL 165 CO 0.09 0.31 -0.20 -1.58 0.00 0.00 0.00 175.10 173.72 3eey s GLN 166 N 1.34 2.87 -0.18 2.72 0.74 -0.26 -4.97 119.66 121.92 3eey s GLN 166 Ca 0.02 -0.79 -0.09 0.00 0.05 0.00 0.00 55.36 54.55 3eey s GLN 166 Cb -0.15 -2.37 -0.05 0.00 1.10 0.00 0.00 33.01 31.53 3eey s GLN 166 CO -0.06 -0.08 0.13 0.50 -0.55 0.00 0.00 175.29 175.23 3eey s ARG 167 N 0.98 4.00 -0.03 1.67 3.52 -1.26 -0.45 118.95 127.38 3eey s ARG 167 Ca -0.04 -0.20 0.06 0.00 -0.13 0.00 0.00 55.73 55.42 3eey s ARG 167 Cb -0.15 -3.36 -0.02 0.00 -1.56 0.00 0.00 34.95 29.87 3eey s ARG 167 CO -0.05 0.41 -0.22 0.99 -0.81 0.00 0.00 175.30 175.62 3eey s THR 168 N 0.03 2.35 -0.23 4.11 2.01 0.89 -5.00 115.64 119.79 3eey s THR 168 Ca 0.10 -0.99 -0.10 0.00 0.31 0.00 0.00 61.69 61.00 3eey s THR 168 Cb -0.11 -1.86 0.09 0.00 0.01 0.00 0.00 72.50 70.63 3eey s THR 168 CO -0.01 0.58 0.53 -0.62 -0.69 0.00 0.00 174.62 174.42 3eey s ASP 169 N -0.58 -0.68 -0.52 3.53 -1.08 -1.26 -1.90 116.67 114.18 3eey s ASP 169 Ca 0.09 1.21 -0.14 0.00 -0.52 0.00 0.00 52.55 53.19 3eey s ASP 169 Cb -0.11 1.41 0.12 0.00 -1.46 0.00 0.00 42.92 42.89 3eey s ASP 169 CO 0.00 -0.22 0.45 -0.36 0.52 0.00 0.00 175.17 175.56 3eey s PHE 170 N 2.13 3.29 -0.70 -5.34 0.08 -1.26 -4.95 117.98 111.23 3eey s PHE 170 Ca -0.07 -1.39 0.25 0.00 0.12 0.00 0.00 56.93 55.84 3eey s PHE 170 Cb -0.09 -3.67 0.54 0.00 -0.57 0.00 0.00 43.02 39.22 3eey s PHE 170 CO -0.16 -0.99 1.50 0.44 -0.10 0.00 0.00 175.22 175.91 3eey n ILE 171 N 5.17 0.42 0.53 0.64 -5.35 -1.26 -3.31 119.36 116.20 3eey n ILE 171 Ca -0.12 -0.26 0.12 0.00 -0.27 0.00 0.00 62.75 62.21 3eey n ILE 171 Cb 0.40 -0.29 0.18 0.00 -1.74 0.00 0.00 39.64 38.19 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 -2.13 3.33 -4.84 7.28 6.94 -1.26 -4.94 115.26 119.64 3eey n ASN 172 Ca 0.04 -2.00 -0.38 0.00 -0.02 0.00 0.00 54.58 52.23 3eey n ASN 172 Cb 0.43 -0.17 -0.06 0.00 -2.36 0.00 0.00 39.78 37.62 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 -1.66 3.85 0.71 -3.83 -0.21 -1.21 -5.10 119.66 112.21 3eey s GLN 173 Ca 0.35 0.31 0.00 0.00 0.02 0.00 0.00 55.36 56.05 3eey s GLN 173 Cb 0.22 -3.22 0.14 0.00 1.00 0.00 0.00 33.01 31.15 3eey s GLN 173 CO 0.31 0.69 0.97 0.00 -2.12 0.00 0.00 175.29 175.14 3eey n ALA 174 N 1.92 0.24 -3.53 6.09 0.00 -1.26 -4.63 120.51 119.34 3eey n ALA 174 Ca -0.15 -1.93 -0.19 0.00 0.00 0.00 0.00 53.44 51.18 3eey n ALA 174 Cb 0.53 0.33 0.07 0.00 0.00 0.00 0.00 19.45 20.38 3eey n ALA 174 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3eey n ASN 175 N -2.88 -1.99 -3.51 0.00 5.15 -1.26 -4.07 115.26 106.70 3eey n ASN 175 Ca 0.16 -0.68 -0.15 0.00 -0.60 0.00 0.00 54.58 53.31 3eey n ASN 175 Cb 0.58 -4.78 0.00 0.00 -0.53 0.00 0.00 39.78 35.05 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 -4.22 4.27 0.42 0.00 0.04 -1.26 -4.72 135.00 129.53 3eey s PRO 177 Ca 0.00 2.29 -0.25 0.00 0.04 0.00 0.00 61.00 63.08 3eey s PRO 177 Cb -0.00 -3.12 -0.10 0.00 0.04 0.00 0.00 34.50 31.32 3eey s PRO 177 CO 0.84 -0.44 1.21 -2.30 0.04 0.00 0.00 177.00 176.36 3eey n PRO 178 N 2.56 1.80 -4.13 0.56 -0.02 -1.26 -4.87 135.00 129.64 3eey n PRO 178 Ca 0.08 0.64 -0.35 0.00 -2.02 0.00 0.00 63.50 61.85 3eey n PRO 178 Cb 0.40 -2.30 -0.09 0.00 -0.02 0.00 0.00 33.50 31.49 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 -1.21 4.72 -0.23 4.25 1.01 -0.33 -4.50 121.20 124.91 3eey s ILE 179 Ca 0.61 -0.08 -0.08 0.00 0.00 0.00 0.00 60.65 61.11 3eey s ILE 179 Cb -0.52 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 3eey s ILE 179 CO 0.58 0.55 0.09 -0.22 0.00 0.00 0.00 174.94 175.94 3eey s LEU 180 N -0.38 3.65 -0.16 2.97 2.96 -0.80 0.30 118.68 127.23 3eey s LEU 180 Ca 0.09 -0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 53.89 3eey s LEU 180 Cb -0.12 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 3eey s LEU 180 CO 0.02 0.03 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.30 3eey s VAL 181 N 1.26 3.38 -0.22 1.68 1.01 0.12 -0.08 120.40 127.55 3eey s VAL 181 Ca 0.05 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 3eey s VAL 181 Cb -0.14 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 3eey s VAL 181 CO 0.04 0.49 -0.05 0.00 0.00 0.00 0.00 175.10 175.59 3eey s ILE 183 N 1.43 3.70 -0.12 0.00 1.01 0.15 -1.10 121.20 126.27 3eey s ILE 183 Ca 0.05 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.33 3eey s ILE 183 Cb -0.14 -2.68 0.01 0.00 0.01 0.00 0.00 42.46 39.66 3eey s ILE 183 CO -0.03 0.42 -0.19 -0.70 0.00 0.00 0.00 174.94 174.44 3eey s GLU 184 N 1.22 2.61 -0.05 2.79 2.12 -0.20 0.30 118.70 127.49 3eey s GLU 184 Ca 0.03 -0.71 -0.30 0.00 0.36 0.00 0.00 54.97 54.35 3eey s GLU 184 Cb -0.15 -2.13 -0.03 0.00 0.26 0.00 0.00 34.13 32.08 3eey s GLU 184 CO 0.00 -0.01 1.12 0.21 -0.54 0.00 0.00 175.26 176.04 3eey s LYS 185 N 0.83 4.41 -0.00 4.30 2.20 -0.94 -0.80 119.74 129.74 3eey s LYS 185 Ca -0.09 1.57 0.02 0.00 -0.36 0.00 0.00 55.97 57.12 3eey s LYS 185 Cb -0.16 -3.51 -0.03 0.00 -1.51 0.00 0.00 37.83 32.62 3eey s LYS 185 CO -0.00 -0.34 0.07 0.44 -0.36 0.00 0.00 175.35 175.16 3eey n ILE 186 N 4.42 0.00 -3.86 5.43 -5.35 0.48 -0.20 119.36 120.28 3eey n ILE 186 Ca 0.09 -0.19 -0.09 0.00 -0.27 0.00 0.00 62.75 62.29 3eey n ILE 186 Cb 0.48 0.64 -0.07 0.00 -1.74 0.00 0.00 39.64 38.95 3eey n ILE 186 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3eey s SER 187 N -1.89 0.11 0.03 7.28 0.01 -1.13 -4.88 113.70 113.24 3eey s SER 187 Ca -0.00 -0.66 -0.30 0.00 1.31 0.00 0.00 55.95 56.29 3eey s SER 187 Cb 0.02 0.35 -0.04 0.00 0.21 0.00 0.00 66.02 66.55 3eey s SER 187 CO 0.10 -0.74 1.05 -1.61 0.41 0.00 0.00 173.24 172.44 3eey s GLU 188 N -3.87 4.54 0.00 12.44 0.41 -1.26 -4.77 118.70 126.19 3eey s GLU 188 Ca 0.06 1.54 0.00 0.00 -0.41 0.00 0.00 54.97 56.15 3eey s GLU 188 Cb 0.05 -3.41 0.00 0.00 -1.78 0.00 0.00 34.13 28.98 3eey s GLU 188 CO -0.10 -0.08 0.00 0.41 -0.49 0.00 0.00 175.26 174.99