#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 0.93 0.06 1.96 2.01 -1.26 -5.12 115.64 114.22 3eey s THR 2 Ca 0.00 -0.59 -0.31 0.00 0.31 0.00 0.00 61.69 61.11 3eey s THR 2 Cb 0.00 -0.79 -0.08 0.00 0.01 0.00 0.00 72.50 71.64 3eey s THR 2 CO 0.00 0.20 1.67 -0.63 -0.69 0.00 0.00 174.62 175.16 3eey s ILE 3 N -0.39 3.09 0.51 1.82 1.01 -1.26 -4.99 121.20 120.98 3eey s ILE 3 Ca 0.04 0.49 -0.17 0.00 0.00 0.00 0.00 60.65 61.01 3eey s ILE 3 Cb -0.05 -3.31 -0.08 0.00 0.01 0.00 0.00 42.46 39.02 3eey s ILE 3 CO -0.00 -0.01 0.98 -0.54 0.00 0.00 0.00 174.94 175.37 3eey s LYS 4 N 2.86 3.96 1.18 2.79 1.02 -1.26 -5.07 119.74 125.23 3eey s LYS 4 Ca 0.74 0.95 -0.15 0.00 0.02 0.00 0.00 55.97 57.53 3eey s LYS 4 Cb -0.39 -2.15 0.28 0.00 -0.52 0.00 0.00 37.83 35.05 3eey s LYS 4 CO 0.32 -0.25 1.04 0.54 -0.92 0.00 0.00 175.35 176.08 3eey s ASN 5 N -3.01 0.94 0.26 2.83 4.22 -1.26 -4.66 114.94 114.26 3eey s ASN 5 Ca 0.59 1.16 -0.03 0.00 -2.14 0.00 0.00 52.86 52.43 3eey s ASN 5 Cb -0.10 -1.77 0.41 0.00 1.28 0.00 0.00 41.25 41.07 3eey s ASN 5 CO 0.30 -4.17 1.85 0.28 -2.04 0.00 0.00 177.10 173.32 3eey h SER 6 N -2.61 0.89 -0.69 3.54 0.02 -1.94 -0.10 113.55 112.66 3eey h SER 6 Ca -0.55 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.42 3eey h SER 6 Cb 1.33 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.68 3eey h SER 6 CO 0.46 0.54 0.39 0.25 -1.14 0.00 0.00 176.83 177.34 3eey h LEU 7 N 1.01 0.86 -0.51 5.07 5.85 -1.92 -1.47 115.31 124.20 3eey h LEU 7 Ca 0.42 -0.09 -0.15 0.00 0.84 0.00 0.00 57.88 58.90 3eey h LEU 7 Cb 0.26 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3eey h LEU 7 CO -0.20 0.70 -0.39 1.23 -0.34 0.00 0.00 178.44 179.44 3eey h GLY 8 N 0.95 0.86 1.58 3.75 0.00 -1.74 -3.24 103.07 105.23 3eey h GLY 8 Ca 0.25 -0.87 -0.13 0.00 0.00 0.00 0.00 47.33 46.58 3eey h GLY 8 CO -0.04 0.78 -0.42 1.46 0.00 0.00 0.00 176.54 178.33 3eey h GLN 9 N 0.65 0.46 -0.72 4.80 4.20 -0.83 -2.87 115.11 120.79 3eey h GLN 9 Ca 0.05 -0.23 0.06 0.00 0.06 0.00 0.00 58.65 58.59 3eey h GLN 9 Cb 0.95 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.67 3eey h GLN 9 CO 0.09 0.80 0.42 0.66 -0.67 0.00 0.00 178.83 180.12 3eey h SER 10 N 0.38 0.63 -0.67 1.46 4.64 -1.30 -0.07 113.55 118.62 3eey h SER 10 Ca 0.03 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 3eey h SER 10 Cb 0.89 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.85 3eey h SER 10 CO 0.08 0.40 0.36 0.45 -0.87 0.00 0.00 176.83 177.25 3eey h HIS 11 N 0.76 0.92 -0.66 4.77 3.86 -1.59 -1.52 115.15 121.69 3eey h HIS 11 Ca 0.32 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.48 3eey h HIS 11 Cb 0.19 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.33 3eey h HIS 11 CO -0.07 0.67 0.33 -0.44 0.86 0.00 0.00 177.93 179.28 3eey h ASP 12 N 0.91 0.86 -0.25 2.45 3.32 -1.17 -0.43 116.42 122.11 3eey h ASP 12 Ca 0.23 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 3eey h ASP 12 Cb 0.06 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3eey h ASP 12 CO -0.04 0.74 -0.15 1.88 -1.72 0.00 0.00 179.24 179.95 3eey h TYR 13 N 0.92 0.75 -0.28 4.55 -1.99 -0.94 -2.62 116.97 117.37 3eey h TYR 13 Ca 0.23 -0.14 -0.09 0.00 2.00 0.00 0.00 58.73 60.73 3eey h TYR 13 Cb 0.10 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 38.63 3eey h TYR 13 CO 0.00 0.79 -0.18 0.82 -0.00 0.00 0.00 178.16 179.59 3eey h ILE 14 N 0.61 1.30 -0.70 -2.88 1.08 -1.02 -3.03 117.51 112.88 3eey h ILE 14 Ca 0.10 -1.30 0.08 0.00 -0.39 0.00 0.00 64.86 63.35 3eey h ILE 14 Cb 0.61 1.55 -0.04 0.00 -3.07 0.00 0.00 36.82 35.86 3eey h ILE 14 CO 0.04 0.41 0.46 0.11 -0.69 0.00 0.00 178.15 178.48 3eey h LYS 15 N 0.35 0.61 -0.39 2.37 1.57 -1.03 0.40 116.57 120.45 3eey h LYS 15 Ca 0.06 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 3eey h LYS 15 Cb 0.72 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 3eey h LYS 15 CO 0.05 0.40 -0.10 0.52 -0.57 0.00 0.00 179.45 179.75 3eey h MET 16 N 0.63 0.68 0.00 3.15 2.86 -1.40 -3.35 114.93 117.50 3eey h MET 16 Ca 0.32 -0.21 -0.36 0.00 -2.06 0.00 0.00 59.70 57.39 3eey h MET 16 Cb 0.41 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.94 3eey h MET 16 CO -0.11 0.76 -2.27 1.19 1.06 0.00 0.00 176.91 177.54 3eey n PHE 17 N -4.18 0.21 -3.19 -0.22 3.72 -0.84 -4.92 117.46 108.04 3eey n PHE 17 Ca 0.01 0.07 -0.40 0.00 -0.05 0.00 0.00 57.45 57.08 3eey n PHE 17 Cb 0.34 -1.04 -0.07 0.00 -0.94 0.00 0.00 39.48 37.78 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 -2.51 5.04 0.48 -4.37 1.01 0.07 -5.01 120.40 115.11 3eey s VAL 18 Ca -0.13 0.99 0.06 0.00 0.00 0.00 0.00 61.98 62.91 3eey s VAL 18 Cb 0.07 -3.87 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 3eey s VAL 18 CO 0.80 0.08 0.30 -1.59 0.00 0.00 0.00 175.10 174.69 3eey s LYS 19 N 2.27 2.28 0.26 2.72 -2.85 -1.26 -4.83 119.74 118.32 3eey s LYS 19 Ca 0.24 -1.93 -0.30 0.00 -1.00 0.00 0.00 55.97 52.98 3eey s LYS 19 Cb -0.16 -2.06 -0.09 0.00 -2.06 0.00 0.00 37.83 33.47 3eey s LYS 19 CO 0.09 -0.38 1.15 -1.21 0.10 0.00 0.00 175.35 175.09 3eey s GLU 20 N -4.11 4.57 0.00 1.78 2.02 -1.25 -3.15 118.70 118.55 3eey s GLU 20 Ca 0.36 1.87 0.00 0.00 0.02 0.00 0.00 54.97 57.21 3eey s GLU 20 Cb -0.00 -3.19 0.00 0.00 0.10 0.00 0.00 34.13 31.04 3eey s GLU 20 CO 0.21 0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.98 3eey n GLY 21 N 1.43 0.75 3.77 -1.39 0.00 0.86 -4.96 105.19 105.66 3eey n GLY 21 Ca 0.01 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 -2.71 4.20 -0.23 1.61 1.01 -1.19 -4.38 116.67 114.99 3eey s ASP 22 Ca 0.00 1.48 -0.06 0.00 0.71 0.00 0.00 52.55 54.68 3eey s ASP 22 Cb 0.00 -2.20 -0.02 0.00 1.01 0.00 0.00 42.92 41.70 3eey s ASP 22 CO 0.00 -2.18 0.03 -0.89 0.21 0.00 0.00 175.17 172.35 3eey s THR 23 N -3.03 4.06 0.28 -1.27 2.01 -1.26 -1.54 115.64 114.89 3eey s THR 23 Ca 0.62 -0.26 0.07 0.00 0.31 0.00 0.00 61.69 62.42 3eey s THR 23 Cb -0.16 -2.87 -0.06 0.00 0.01 0.00 0.00 72.50 69.42 3eey s THR 23 CO 0.56 0.38 -0.06 0.68 -0.69 0.00 0.00 174.62 175.49 3eey s VAL 24 N 1.41 1.64 -0.06 3.82 -7.23 -0.01 -0.97 120.40 118.98 3eey s VAL 24 Ca 0.05 -2.13 0.02 0.00 -1.81 0.00 0.00 61.98 58.12 3eey s VAL 24 Cb -0.15 -2.45 0.01 0.00 0.56 0.00 0.00 36.38 34.36 3eey s VAL 24 CO 0.02 -0.30 -0.13 -0.69 -0.31 0.00 0.00 175.10 173.69 3eey s VAL 25 N -3.02 1.17 -0.43 1.32 1.01 0.01 -1.36 120.40 119.11 3eey s VAL 25 Ca 0.29 -0.51 -0.14 0.00 0.00 0.00 0.00 61.98 61.63 3eey s VAL 25 Cb 0.04 -1.07 0.05 0.00 0.00 0.00 0.00 36.38 35.40 3eey s VAL 25 CO 0.12 0.36 0.33 -0.62 0.00 0.00 0.00 175.10 175.29 3eey s ASP 26 N 0.61 6.02 0.09 3.32 -1.08 0.45 -0.89 116.67 125.19 3eey s ASP 26 Ca -0.14 -1.17 0.26 0.00 -0.52 0.00 0.00 52.55 50.98 3eey s ASP 26 Cb -0.15 -2.13 0.70 0.00 -1.46 0.00 0.00 42.92 39.87 3eey s ASP 26 CO 0.04 -0.54 1.59 0.00 0.52 0.00 0.00 175.17 176.78 3eey n ALA 27 N 5.13 2.77 -3.45 3.66 0.00 -0.44 -1.58 120.51 126.60 3eey n ALA 27 Ca -0.12 -0.18 -0.28 0.00 0.00 0.00 0.00 53.44 52.86 3eey n ALA 27 Cb 0.45 -1.30 -0.11 0.00 0.00 0.00 0.00 19.45 18.49 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 -3.07 0.45 0.10 0.00 -4.23 -1.25 -4.55 115.64 103.09 3eey s THR 28 Ca 0.10 -2.43 -0.32 0.00 -1.18 0.00 0.00 61.69 57.86 3eey s THR 28 Cb 0.15 -1.33 -0.12 0.00 1.34 0.00 0.00 72.50 72.54 3eey s THR 28 CO 0.64 -1.13 1.60 0.00 -0.54 0.00 0.00 174.62 175.19 3eey n GLY 30 N -1.48 3.59 0.06 0.00 0.00 -1.26 -1.87 105.19 104.23 3eey n GLY 30 Ca -0.09 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 6.41 0.56 0.00 1.61 3.02 -1.26 -4.45 115.26 121.15 3eey n ASN 31 Ca 0.00 0.43 0.00 0.00 -0.03 0.00 0.00 54.58 54.98 3eey n ASN 31 Cb 0.00 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 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 1.38 1.08 0.07 7.41 0.00 -0.78 -3.79 105.19 110.56 3eey n GLY 32 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 3eey n GLY 32 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3eey h ASN 33 N 0.00 -0.05 0.45 1.61 2.35 -1.93 -1.77 115.58 116.24 3eey h ASN 33 Ca 0.00 -0.22 -0.09 0.00 -0.55 0.00 0.00 56.30 55.43 3eey h ASN 33 Cb 0.00 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 3eey h ASN 33 CO 0.00 0.20 -0.45 0.44 -1.65 0.00 0.00 177.43 175.97 3eey h ASP 34 N -0.29 0.00 -0.48 5.81 3.32 -1.94 -1.75 116.42 121.09 3eey h ASP 34 Ca -0.01 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 3eey h ASP 34 Cb 0.27 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3eey h ASP 34 CO 0.01 0.45 -0.09 0.74 -1.72 0.00 0.00 179.24 178.63 3eey h THR 35 N 0.00 1.27 -0.16 0.35 2.02 -1.84 -0.21 112.91 114.34 3eey h THR 35 Ca -0.00 -1.21 -0.19 0.00 0.77 0.00 0.00 66.41 65.78 3eey h THR 35 Cb 0.79 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 3eey h THR 35 CO 0.06 0.42 -0.67 0.00 0.37 0.00 0.00 175.52 175.69 3eey h ALA 36 N 0.89 0.51 -0.01 6.16 0.00 -1.19 -1.30 119.26 124.32 3eey h ALA 36 Ca 0.12 -0.57 0.02 0.00 0.00 0.00 0.00 54.91 54.48 3eey h ALA 36 Cb 0.63 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3eey h ALA 36 CO 0.04 0.71 -0.07 0.35 0.00 0.00 0.00 179.25 180.27 3eey h PHE 37 N 0.47 -0.19 -0.67 0.00 3.57 -1.26 -1.67 116.94 117.19 3eey h PHE 37 Ca -0.02 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 3eey h PHE 37 Cb 1.26 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 40.06 3eey h PHE 37 CO 0.06 -0.12 0.20 -0.07 -2.23 0.00 0.00 178.31 176.15 3eey h LEU 38 N -0.12 0.97 -0.77 0.59 3.38 -0.97 -2.73 115.31 115.66 3eey h LEU 38 Ca 0.03 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 3eey h LEU 38 Cb 0.17 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3eey h LEU 38 CO -0.09 0.92 0.28 0.00 0.09 0.00 0.00 178.44 179.64 3eey h ALA 39 N 1.21 1.01 -0.11 1.53 0.00 -1.11 -2.68 119.26 119.11 3eey h ALA 39 Ca 0.22 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3eey h ALA 39 Cb 0.30 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3eey h ALA 39 CO -0.01 0.66 -0.39 0.66 0.00 0.00 0.00 179.25 180.17 3eey h SER 40 N 1.13 0.24 0.86 0.00 4.64 -1.16 -3.01 113.55 116.25 3eey h SER 40 Ca 0.25 -0.10 -0.11 0.00 -0.47 0.00 0.00 61.79 61.37 3eey h SER 40 Cb 0.25 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 3eey h SER 40 CO -0.02 0.61 -0.53 -0.07 -0.87 0.00 0.00 176.83 175.96 3eey h LEU 41 N 0.20 0.00 0.00 5.97 3.38 -1.31 -3.34 115.31 120.21 3eey h LEU 41 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3eey h LEU 41 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3eey h LEU 41 CO 0.06 0.53 -1.50 0.55 0.09 0.00 0.00 178.44 178.17 3eey n VAL 42 N -3.56 0.28 -4.02 1.22 3.14 -1.03 -3.90 118.33 110.46 3eey n VAL 42 Ca -0.00 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 3eey n VAL 42 Cb 0.61 -0.12 0.00 0.00 -1.06 0.00 0.00 33.84 33.27 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 1.23 -1.91 0.13 7.55 0.00 -1.15 -0.09 105.19 110.95 3eey n GLY 43 Ca -0.02 -1.39 -0.08 0.00 0.00 0.00 0.00 46.02 44.54 3eey n GLY 43 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3eey h GLU 44 N 0.00 0.20 -0.25 1.61 4.81 -1.96 -3.21 114.58 115.78 3eey h GLU 44 Ca 0.00 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3eey h GLU 44 Cb 0.00 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.43 3eey h GLU 44 CO 0.00 0.91 0.00 0.09 -0.73 0.00 0.00 179.01 179.28 3eey n ASN 45 N -3.70 2.41 -4.95 1.04 3.02 -1.26 -4.90 115.26 106.92 3eey n ASN 45 Ca -0.03 -1.84 -0.20 0.00 -0.03 0.00 0.00 54.58 52.48 3eey n ASN 45 Cb 0.77 -0.16 0.04 0.00 -0.61 0.00 0.00 39.78 39.82 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 -1.54 1.84 -0.02 7.41 0.00 -1.21 -4.62 107.32 109.18 3eey s GLY 46 Ca 0.34 -1.66 0.01 0.00 0.00 0.00 0.00 44.72 43.41 3eey s GLY 46 CO 0.28 -1.33 -0.02 -1.60 0.00 0.00 0.00 173.10 170.43 3eey s ARG 47 N -4.67 0.39 -0.18 2.90 6.06 -0.59 -4.79 118.95 118.07 3eey s ARG 47 Ca 0.59 -0.03 0.01 0.00 -2.50 0.00 0.00 55.73 53.79 3eey s ARG 47 Cb -0.09 -0.48 0.01 0.00 0.06 0.00 0.00 34.95 34.46 3eey s ARG 47 CO 0.38 -0.05 -0.18 0.08 -2.50 0.00 0.00 175.30 173.03 3eey s VAL 48 N 0.61 2.25 -0.18 7.11 1.01 -0.44 -0.83 120.40 129.94 3eey s VAL 48 Ca -0.07 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 60.88 3eey s VAL 48 Cb -0.10 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 3eey s VAL 48 CO -0.01 0.53 0.36 -0.36 0.00 0.00 0.00 175.10 175.62 3eey s PHE 49 N 1.24 3.41 -0.02 5.22 0.08 -0.46 -0.32 117.98 127.13 3eey s PHE 49 Ca 0.03 0.62 0.07 0.00 0.12 0.00 0.00 56.93 57.78 3eey s PHE 49 Cb -0.14 -2.46 -0.02 0.00 -0.57 0.00 0.00 43.02 39.83 3eey s PHE 49 CO -0.10 0.09 -0.23 0.20 -0.10 0.00 0.00 175.22 175.08 3eey s GLY 50 N 0.82 1.35 -0.04 4.36 0.00 -0.15 -0.41 107.32 113.26 3eey s GLY 50 Ca 0.19 -1.09 0.03 0.00 0.00 0.00 0.00 44.72 43.85 3eey s GLY 50 CO 0.07 -0.90 -0.13 -1.36 0.00 0.00 0.00 173.10 170.77 3eey s PHE 51 N -0.66 1.34 0.03 1.90 0.08 -0.62 -0.55 117.98 119.51 3eey s PHE 51 Ca 0.11 -0.37 -0.22 0.00 0.12 0.00 0.00 56.93 56.57 3eey s PHE 51 Cb -0.10 -0.93 0.05 0.00 -0.57 0.00 0.00 43.02 41.47 3eey s PHE 51 CO -0.00 -0.14 0.49 0.34 -0.10 0.00 0.00 175.22 175.81 3eey s ASP 52 N 0.13 -0.41 0.00 1.36 -1.08 -1.13 -1.05 116.67 114.49 3eey s ASP 52 Ca -0.04 0.19 0.25 0.00 -0.52 0.00 0.00 52.55 52.43 3eey s ASP 52 Cb -0.10 0.47 0.44 0.00 -1.46 0.00 0.00 42.92 42.27 3eey s ASP 52 CO 0.01 -0.67 1.38 2.30 0.52 0.00 0.00 175.17 178.71 3eey n ILE 53 N 0.55 0.00 -4.50 4.11 -5.35 -1.26 -2.67 119.36 110.24 3eey n ILE 53 Ca -0.19 -0.25 -0.34 0.00 -0.27 0.00 0.00 62.75 61.70 3eey n ILE 53 Cb 0.59 0.89 -0.11 0.00 -1.74 0.00 0.00 39.64 39.28 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 -2.34 2.91 0.27 6.28 -0.21 -1.26 -4.96 119.66 120.36 3eey s GLN 54 Ca 0.25 -0.49 0.05 0.00 0.02 0.00 0.00 55.36 55.19 3eey s GLN 54 Cb 0.19 -2.70 0.39 0.00 1.00 0.00 0.00 33.01 31.89 3eey s GLN 54 CO 0.48 0.65 1.66 -0.44 -2.12 0.00 0.00 175.29 175.52 3eey h ASP 55 N 5.31 0.30 -0.60 5.90 3.32 -2.00 -2.78 116.42 125.87 3eey h ASP 55 Ca -0.48 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 56.39 3eey h ASP 55 Cb 1.18 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.62 3eey h ASP 55 CO 0.54 0.71 0.21 0.50 -1.72 0.00 0.00 179.24 179.48 3eey h LYS 56 N 0.23 0.91 -0.25 3.56 3.64 -1.99 -2.24 116.57 120.44 3eey h LYS 56 Ca 0.02 -0.18 -0.17 0.00 -1.27 0.00 0.00 60.65 59.05 3eey h LYS 56 Cb 0.88 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.56 3eey h LYS 56 CO 0.07 0.80 -0.52 0.00 -2.27 0.00 0.00 179.45 177.53 3eey h ALA 57 N 1.07 0.62 -0.46 5.00 0.00 -1.78 -2.02 119.26 121.69 3eey h ALA 57 Ca 0.20 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 3eey h ALA 57 Cb 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3eey h ALA 57 CO -0.01 0.68 -0.08 0.82 0.00 0.00 0.00 179.25 180.66 3eey h ILE 58 N 0.55 1.27 -0.44 0.00 1.08 -1.47 -2.16 117.51 116.34 3eey h ILE 58 Ca 0.02 -1.18 -0.06 0.00 -0.39 0.00 0.00 64.86 63.25 3eey h ILE 58 Cb 1.09 1.10 -0.02 0.00 -3.07 0.00 0.00 36.82 35.92 3eey h ILE 58 CO 0.11 0.41 0.06 0.00 -0.69 0.00 0.00 178.15 178.03 3eey h ALA 59 N 0.88 0.59 -0.61 1.87 0.00 -1.37 -0.47 119.26 120.15 3eey h ALA 59 Ca 0.12 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3eey h ALA 59 Cb 0.61 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3eey h ALA 59 CO 0.04 0.32 0.16 -0.91 0.00 0.00 0.00 179.25 178.86 3eey h ASN 60 N 0.60 0.89 -0.30 0.00 2.35 -1.37 -0.92 115.58 116.83 3eey h ASN 60 Ca 0.13 -0.17 -0.18 0.00 -0.55 0.00 0.00 56.30 55.54 3eey h ASN 60 Cb 0.40 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 3eey h ASN 60 CO 0.01 0.86 -0.49 0.74 -1.65 0.00 0.00 177.43 176.90 3eey h THR 61 N 0.92 1.27 -0.68 2.81 2.02 -1.29 -1.25 112.91 116.71 3eey h THR 61 Ca 0.20 -1.67 -0.00 0.00 0.77 0.00 0.00 66.41 65.70 3eey h THR 61 Cb 0.31 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.24 3eey h THR 61 CO -0.00 0.55 0.42 0.74 0.37 0.00 0.00 175.52 177.59 3eey h THR 62 N 0.69 1.19 -0.18 3.16 2.02 -0.90 -1.71 112.91 117.19 3eey h THR 62 Ca 0.03 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 3eey h THR 62 Cb 1.09 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 3eey h THR 62 CO 0.11 0.20 0.05 0.50 0.37 0.00 0.00 175.52 176.75 3eey h LYS 63 N 0.93 0.28 -0.05 6.66 3.64 -1.10 -2.05 116.57 124.87 3eey h LYS 63 Ca 0.24 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.60 3eey h LYS 63 Cb -0.04 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 3eey h LYS 63 CO -0.05 0.40 -0.32 0.87 -2.27 0.00 0.00 179.45 178.08 3eey h LYS 64 N 0.10 -0.42 -0.23 1.90 1.79 -1.10 -2.13 116.57 116.48 3eey h LYS 64 Ca 0.06 0.03 -0.12 0.00 -2.18 0.00 0.00 60.65 58.44 3eey h LYS 64 Cb 0.24 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 3eey h LYS 64 CO -0.00 -0.28 -0.36 -0.07 -1.08 0.00 0.00 179.45 177.66 3eey h LEU 65 N -0.44 0.52 -0.61 2.94 3.38 -1.30 -2.68 115.31 117.11 3eey h LEU 65 Ca 0.07 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.71 3eey h LEU 65 Cb 0.55 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3eey h LEU 65 CO -0.30 0.84 -0.22 0.74 0.09 0.00 0.00 178.44 179.59 3eey h THR 66 N 0.42 1.27 -0.32 0.22 2.02 -1.35 0.38 112.91 115.55 3eey h THR 66 Ca 0.04 -1.36 -0.01 0.00 0.77 0.00 0.00 66.41 65.85 3eey h THR 66 Cb 0.82 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 3eey h THR 66 CO 0.07 0.46 0.14 0.44 0.37 0.00 0.00 175.52 176.99 3eey h ASP 67 N 0.75 0.39 -0.46 4.18 3.32 -1.16 -2.82 116.42 120.62 3eey h ASP 67 Ca 0.10 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3eey h ASP 67 Cb 0.76 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.21 3eey h ASP 67 CO 0.06 0.36 0.00 0.18 -1.72 0.00 0.00 179.24 178.12 3eey n LEU 68 N -4.42 3.53 -3.49 1.55 4.77 -1.03 -4.96 117.00 112.95 3eey n LEU 68 Ca 0.02 -1.64 -0.21 0.00 -0.03 0.00 0.00 56.01 54.14 3eey n LEU 68 Cb 0.13 -0.30 0.08 0.00 -2.33 0.00 0.00 43.42 41.00 3eey n LEU 68 CO 0.36 0.80 0.19 -3.20 -1.33 0.00 0.00 177.39 174.21 3eey n ASN 69 N 1.46 -4.58 0.00 -1.43 5.15 -0.83 -4.93 115.26 110.09 3eey n ASN 69 Ca 0.20 -0.56 0.00 0.00 -0.60 0.00 0.00 54.58 53.61 3eey n ASN 69 Cb 0.59 -5.01 0.00 0.00 -0.53 0.00 0.00 39.78 34.83 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 -4.60 0.89 0.27 1.20 4.77 0.13 -4.78 117.00 114.88 3eey n LEU 70 Ca -0.11 -0.89 0.16 0.00 -0.03 0.00 0.00 56.01 55.14 3eey n LEU 70 Cb 0.60 0.00 0.67 0.00 -2.33 0.00 0.00 43.42 42.37 3eey n LEU 70 CO 0.62 0.22 0.97 -0.29 -1.33 0.00 0.00 177.39 177.59 3eey h ILE 71 N 0.25 0.10 0.00 -0.08 6.09 -1.85 -3.23 117.51 118.79 3eey h ILE 71 Ca 0.00 -0.58 -0.08 0.00 -1.37 0.00 0.00 64.86 62.83 3eey h ILE 71 Cb 0.16 1.53 -0.01 0.00 0.47 0.00 0.00 36.82 38.96 3eey h ILE 71 CO 0.00 0.04 -0.36 0.44 -3.07 0.00 0.00 178.15 175.19 3eey h ASP 72 N 0.00 0.00 -0.02 2.19 3.32 -1.91 -2.99 116.42 117.02 3eey h ASP 72 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3eey h ASP 72 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3eey h ASP 72 CO 0.00 0.36 -0.12 -2.11 -1.72 0.00 0.00 179.24 175.66 3eey n ARG 73 N -3.70 1.98 -4.32 3.56 1.85 -1.22 -4.90 116.66 109.92 3eey n ARG 73 Ca -0.01 -1.61 -0.34 0.00 -1.00 0.00 0.00 57.85 54.89 3eey n ARG 73 Cb 0.46 -1.47 -0.12 0.00 -1.05 0.00 0.00 32.46 30.28 3eey n ARG 73 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3eey s VAL 74 N -2.13 3.92 -0.42 8.89 1.01 -1.13 -1.32 120.40 129.23 3eey s VAL 74 Ca 0.26 -0.34 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 3eey s VAL 74 Cb 0.20 -2.73 0.06 0.00 0.00 0.00 0.00 36.38 33.91 3eey s VAL 74 CO 0.37 0.48 0.27 -0.89 0.00 0.00 0.00 175.10 175.33 3eey s THR 75 N 0.49 4.54 -0.17 3.92 2.01 0.56 -4.97 115.64 122.03 3eey s THR 75 Ca -0.03 -1.16 -0.19 0.00 0.31 0.00 0.00 61.69 60.62 3eey s THR 75 Cb -0.14 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.65 3eey s THR 75 CO 0.03 -0.44 0.54 -0.76 -0.69 0.00 0.00 174.62 173.30 3eey s LEU 76 N 1.51 4.20 -0.15 4.42 1.43 -1.26 -0.97 118.68 127.85 3eey s LEU 76 Ca 0.03 0.78 0.01 0.00 -1.03 0.00 0.00 54.13 53.92 3eey s LEU 76 Cb -0.22 -2.77 0.02 0.00 0.03 0.00 0.00 46.19 43.25 3eey s LEU 76 CO 0.04 -0.14 -0.16 -0.63 0.23 0.00 0.00 176.35 175.69 3eey s ILE 77 N 1.33 1.73 -1.21 -0.59 1.01 0.28 -4.96 121.20 118.78 3eey s ILE 77 Ca 0.26 -0.74 -0.16 0.00 0.00 0.00 0.00 60.65 60.01 3eey s ILE 77 Cb -0.16 -1.59 0.12 0.00 0.01 0.00 0.00 42.46 40.85 3eey s ILE 77 CO 0.11 0.48 1.53 -0.75 0.00 0.00 0.00 174.94 176.31 3eey s LYS 78 N 1.31 3.98 0.20 2.79 2.20 -1.26 -2.83 119.74 126.14 3eey s LYS 78 Ca 0.02 -2.21 -0.18 0.00 -0.36 0.00 0.00 55.97 53.25 3eey s LYS 78 Cb -0.13 -5.25 0.03 0.00 -1.51 0.00 0.00 37.83 30.96 3eey s LYS 78 CO -0.09 -1.98 0.55 0.34 -0.36 0.00 0.00 175.35 173.80 3eey s ASP 79 N 3.56 -0.28 0.34 1.43 -1.08 -1.09 -4.96 116.67 114.59 3eey s ASP 79 Ca 0.46 -0.47 -0.28 0.00 -0.52 0.00 0.00 52.55 51.75 3eey s ASP 79 Cb -0.00 0.60 -0.10 0.00 -1.46 0.00 0.00 42.92 41.96 3eey s ASP 79 CO 0.02 -1.08 1.23 -0.83 0.52 0.00 0.00 175.17 175.02 3eey s GLY 80 N -2.87 2.98 0.62 2.66 0.00 -1.26 -3.54 107.32 105.90 3eey s GLY 80 Ca 0.09 1.11 0.38 0.00 0.00 0.00 0.00 44.72 46.30 3eey s GLY 80 CO -0.02 1.71 2.17 1.12 0.00 0.00 0.00 173.10 178.07 3eey h HIS 81 N 3.22 0.00 0.00 1.90 2.07 -1.92 -0.41 115.15 120.02 3eey h HIS 81 Ca -0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 3eey h HIS 81 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 3eey h HIS 81 CO 0.56 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 175.42 3eey n GLN 82 N -2.92 0.19 -0.68 5.12 0.00 -1.26 -2.26 117.38 115.58 3eey n GLN 82 Ca -0.03 0.47 0.05 0.00 0.00 0.00 0.00 57.00 57.49 3eey n GLN 82 Cb 0.14 -1.90 0.30 0.00 0.00 0.00 0.00 30.24 28.78 3eey n GLN 82 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3eey n ASN 83 N -2.26 4.34 0.26 2.61 3.02 -0.16 -4.63 115.26 118.44 3eey n ASN 83 Ca 0.01 -3.10 0.10 0.00 -0.03 0.00 0.00 54.58 51.56 3eey n ASN 83 Cb 0.19 -0.62 0.69 0.00 -0.61 0.00 0.00 39.78 39.43 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 2.37 0.00 0.00 3.52 -0.00 -1.57 -2.47 114.93 116.78 3eey h MET 84 Ca 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.76 3eey h MET 84 Cb 1.74 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.33 3eey h MET 84 CO 0.38 0.09 -0.04 0.38 -0.00 0.00 0.00 176.91 177.73 3eey h ASP 85 N 0.00 0.00 1.00 -0.10 2.03 -1.85 -2.56 116.42 114.93 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 0.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.70 3eey h ASP 85 CO 0.01 0.04 0.00 0.11 -1.03 0.00 0.00 179.24 178.37 3eey h LYS 86 N 0.00 0.00 0.00 4.15 1.57 -1.83 -3.32 116.57 117.14 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 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3eey h LYS 86 CO 0.00 0.00 -0.85 0.66 -0.57 0.00 0.00 179.45 178.69 3eey n TYR 87 N -3.00 0.00 -4.83 -1.35 4.01 -0.99 -4.99 117.16 106.01 3eey n TYR 87 Ca 0.01 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.47 3eey n TYR 87 Cb 0.30 -0.06 -0.17 0.00 -0.31 0.00 0.00 39.34 39.10 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 -1.98 1.48 0.00 -0.72 1.01 -1.05 -5.01 121.20 114.93 3eey s ILE 88 Ca -0.00 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 59.95 3eey s ILE 88 Cb 0.03 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 41.18 3eey s ILE 88 CO 0.17 0.43 0.00 -0.90 0.00 0.00 0.00 174.94 174.64 3eey n ASP 89 N 3.64 1.88 -4.89 3.58 5.75 -1.26 -4.66 116.55 120.59 3eey n ASP 89 Ca -0.21 -0.18 -0.29 0.00 -0.01 0.00 0.00 54.79 54.09 3eey n ASP 89 Cb 0.52 0.74 -0.02 0.00 -1.03 0.00 0.00 41.12 41.33 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 -4.20 4.34 0.05 0.00 0.02 -1.26 -4.96 135.00 128.98 3eey s PRO 91 Ca 0.50 2.23 0.02 0.00 0.02 0.00 0.00 61.00 63.77 3eey s PRO 91 Cb -0.10 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.29 3eey s PRO 91 CO 0.37 -0.25 0.05 0.14 -0.33 0.00 0.00 177.00 176.98 3eey s VAL 92 N -0.79 4.43 -0.03 3.83 -7.23 0.12 -4.71 120.40 116.02 3eey s VAL 92 Ca 0.52 -0.70 -0.15 0.00 -1.81 0.00 0.00 61.98 59.84 3eey s VAL 92 Cb -0.40 -3.08 -0.32 0.00 0.56 0.00 0.00 36.38 33.14 3eey s VAL 92 CO 0.50 0.22 0.78 0.50 -0.31 0.00 0.00 175.10 176.79 3eey h LYS 93 N 3.67 0.41 -3.60 4.82 1.63 -1.38 0.07 116.57 122.18 3eey h LYS 93 Ca -0.48 -0.69 -0.14 0.00 -0.85 0.00 0.00 60.65 58.49 3eey h LYS 93 Cb 1.17 0.26 -0.20 0.00 -0.60 0.00 0.00 32.23 32.86 3eey h LYS 93 CO 0.63 1.33 -0.51 0.00 -3.45 0.00 0.00 179.45 177.45 3eey s ALA 94 N -2.55 -0.25 -0.04 5.00 0.00 -1.25 -0.87 121.76 121.79 3eey s ALA 94 Ca -0.14 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.59 3eey s ALA 94 Cb 0.04 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.32 3eey s ALA 94 CO 0.87 -0.23 -0.05 0.08 0.00 0.00 0.00 175.76 176.43 3eey s VAL 95 N -1.63 0.57 -0.20 0.00 1.01 -0.71 -0.81 120.40 118.63 3eey s VAL 95 Ca -0.13 -0.16 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 3eey s VAL 95 Cb -0.07 -0.57 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 3eey s VAL 95 CO 0.00 0.22 0.03 -0.04 0.00 0.00 0.00 175.10 175.31 3eey s MET 96 N 0.78 3.73 -0.14 2.72 -1.94 -0.07 -1.65 119.30 122.74 3eey s MET 96 Ca -0.11 -0.46 -0.00 0.00 -1.71 0.00 0.00 55.69 53.41 3eey s MET 96 Cb -0.14 -3.15 -0.01 0.00 2.01 0.00 0.00 34.83 33.55 3eey s MET 96 CO 0.00 0.07 -0.14 -0.06 -0.01 0.00 0.00 175.02 174.89 3eey s PHE 97 N 0.87 2.80 -0.30 -0.03 0.08 0.43 -1.32 117.98 120.50 3eey s PHE 97 Ca 0.02 -0.82 0.02 0.00 0.12 0.00 0.00 56.93 56.27 3eey s PHE 97 Cb -0.14 -1.87 0.09 0.00 -0.57 0.00 0.00 43.02 40.53 3eey s PHE 97 CO 0.02 -0.34 0.02 1.21 -0.10 0.00 0.00 175.22 176.04 3eey s ASN 98 N 0.59 4.34 -0.07 1.36 3.84 -1.26 -0.92 114.94 122.81 3eey s ASN 98 Ca -0.08 -1.72 -0.20 0.00 0.21 0.00 0.00 52.86 51.06 3eey s ASN 98 Cb -0.16 -1.33 -0.04 0.00 -0.55 0.00 0.00 41.25 39.17 3eey s ASN 98 CO 0.03 -0.33 0.57 -0.76 -2.79 0.00 0.00 177.10 173.82 3eey s LEU 99 N 1.21 4.33 0.00 3.21 1.43 0.09 -4.90 118.68 124.05 3eey s LEU 99 Ca 0.05 1.02 0.00 0.00 -1.03 0.00 0.00 54.13 54.16 3eey s LEU 99 Cb -0.19 -2.86 0.00 0.00 0.03 0.00 0.00 46.19 43.17 3eey s LEU 99 CO -0.11 0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.08 3eey n GLY 100 N 2.97 0.42 3.65 -3.19 0.00 -1.26 -3.35 105.19 104.43 3eey n GLY 100 Ca -0.05 -1.38 -0.25 0.00 0.00 0.00 0.00 46.02 44.34 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 -3.45 2.75 0.01 1.61 1.13 -1.26 -2.18 117.35 115.96 3eey s TYR 101 Ca 0.00 -0.19 -0.30 0.00 -1.41 0.00 0.00 57.07 55.17 3eey s TYR 101 Cb 0.00 -1.28 -0.07 0.00 -1.10 0.00 0.00 41.96 39.52 3eey s TYR 101 CO 0.00 0.56 1.57 -1.17 -2.51 0.00 0.00 175.55 174.01 3eey s LEU 102 N -3.31 4.34 0.29 -3.49 2.96 -1.26 -5.00 118.68 113.20 3eey s LEU 102 Ca 0.29 2.29 -0.29 0.00 -0.22 0.00 0.00 54.13 56.20 3eey s LEU 102 Cb -0.08 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 42.96 3eey s LEU 102 CO 0.19 -0.85 1.18 -2.16 -1.32 0.00 0.00 176.35 173.39 3eey s PRO 103 N 2.96 4.53 -1.34 0.98 0.04 -1.26 -3.13 135.00 137.79 3eey s PRO 103 Ca 0.70 1.95 -0.05 0.00 0.04 0.00 0.00 61.00 63.64 3eey s PRO 103 Cb -0.35 -3.15 0.02 0.00 0.04 0.00 0.00 34.50 31.05 3eey s PRO 103 CO 0.30 0.05 0.99 0.43 0.04 0.00 0.00 177.00 178.80 3eey n SER 104 N 1.18 -3.69 0.00 6.66 7.64 -1.26 -4.95 113.62 119.20 3eey n SER 104 Ca -0.00 -0.67 0.00 0.00 1.01 0.00 0.00 58.87 59.21 3eey n SER 104 Cb 0.44 -4.63 0.00 0.00 -1.01 0.00 0.00 64.21 59.01 3eey n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3eey n GLY 105 N -1.60 4.25 3.63 0.23 0.00 -1.18 -5.13 105.19 105.38 3eey n GLY 105 Ca -0.14 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 3eey n GLY 105 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3eey s ASP 106 N 1.51 6.79 0.09 1.61 2.15 -1.26 -4.93 116.67 122.62 3eey s ASP 106 Ca 0.00 0.86 0.28 0.00 0.43 0.00 0.00 52.55 54.11 3eey s ASP 106 Cb 0.00 -2.46 1.01 0.00 -0.30 0.00 0.00 42.92 41.17 3eey s ASP 106 CO 0.00 -0.68 1.83 1.41 -0.17 0.00 0.00 175.17 177.56 3eey n HIS 107 N 6.38 0.42 0.20 -5.34 8.25 -1.26 -3.01 115.22 120.86 3eey n HIS 107 Ca 0.07 0.12 0.11 0.00 -0.26 0.00 0.00 57.72 57.76 3eey n HIS 107 Cb 0.48 -0.69 0.14 0.00 1.12 0.00 0.00 29.99 31.03 3eey n HIS 107 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3eey h SER 108 N 0.00 0.00 -2.88 0.41 4.64 -1.98 -3.41 113.55 110.32 3eey h SER 108 Ca 0.00 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.62 3eey h SER 108 Cb 0.61 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.51 3eey h SER 108 CO 0.00 0.02 0.31 -0.63 -0.87 0.00 0.00 176.83 175.67 3eey s ILE 109 N -3.22 4.83 0.24 0.95 1.01 -1.16 -5.02 121.20 118.84 3eey s ILE 109 Ca 0.06 -1.21 0.03 0.00 0.00 0.00 0.00 60.65 59.53 3eey s ILE 109 Cb 0.06 -4.57 -0.05 0.00 0.01 0.00 0.00 42.46 37.90 3eey s ILE 109 CO 0.69 -1.23 0.02 -0.94 0.00 0.00 0.00 174.94 173.47 3eey s SER 110 N 3.46 1.78 0.42 3.58 1.04 -1.26 -4.29 113.70 118.43 3eey s SER 110 Ca 0.18 -1.25 -0.26 0.00 0.48 0.00 0.00 55.95 55.09 3eey s SER 110 Cb -0.18 0.02 -0.09 0.00 0.10 0.00 0.00 66.02 65.88 3eey s SER 110 CO 0.02 -0.55 1.41 0.42 0.98 0.00 0.00 173.24 175.52 3eey s THR 111 N -3.46 2.21 0.05 2.02 -4.23 -0.93 -5.00 115.64 106.30 3eey s THR 111 Ca 0.30 0.19 0.04 0.00 -1.18 0.00 0.00 61.69 61.04 3eey s THR 111 Cb 0.06 -3.11 -0.04 0.00 1.34 0.00 0.00 72.50 70.75 3eey s THR 111 CO 0.10 0.03 -0.04 -0.13 -0.54 0.00 0.00 174.62 174.04 3eey s ARG 112 N -2.30 2.51 0.22 3.99 0.52 -1.26 -4.81 118.95 117.81 3eey s ARG 112 Ca 0.58 -0.80 -0.08 0.00 -0.52 0.00 0.00 55.73 54.91 3eey s ARG 112 Cb -0.43 -2.50 0.28 0.00 0.52 0.00 0.00 34.95 32.81 3eey s ARG 112 CO 0.56 0.57 1.81 -1.35 0.02 0.00 0.00 175.30 176.91 3eey h PRO 113 N 3.95 0.71 -0.39 3.54 0.11 -1.92 -1.02 132.00 136.98 3eey h PRO 113 Ca -0.48 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 3eey h PRO 113 Cb 1.17 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 3eey h PRO 113 CO 0.56 0.47 0.24 0.93 -0.21 0.00 0.00 178.00 179.99 3eey h GLU 114 N 0.73 0.52 0.01 1.05 3.07 -1.98 -0.03 114.58 117.95 3eey h GLU 114 Ca 0.32 -0.04 -0.21 0.00 -0.50 0.00 0.00 59.36 58.93 3eey h GLU 114 Cb 0.21 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 27.99 3eey h GLU 114 CO -0.19 0.38 -0.98 1.79 -1.40 0.00 0.00 179.01 178.61 3eey h THR 115 N 0.51 1.68 -0.17 1.13 1.35 -1.97 -2.59 112.91 112.85 3eey h THR 115 Ca 0.14 -3.29 -0.02 0.00 -0.55 0.00 0.00 66.41 62.69 3eey h THR 115 Cb -0.01 2.79 -0.01 0.00 -1.73 0.00 0.00 68.15 69.20 3eey h THR 115 CO -0.03 0.94 0.03 0.74 -0.25 0.00 0.00 175.52 176.95 3eey h THR 116 N 0.01 1.22 -0.75 6.82 2.02 -0.96 -0.86 112.91 120.41 3eey h THR 116 Ca -0.02 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 3eey h THR 116 Cb 1.72 1.36 -0.04 0.00 -1.74 0.00 0.00 68.15 69.46 3eey h THR 116 CO 0.13 0.21 0.43 0.40 0.37 0.00 0.00 175.52 177.06 3eey h ILE 117 N 0.07 1.22 0.10 3.11 2.04 -1.05 -0.42 117.51 122.58 3eey h ILE 117 Ca 0.05 -0.53 0.01 0.00 1.00 0.00 0.00 64.86 65.40 3eey h ILE 117 Cb 0.30 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 3eey h ILE 117 CO 0.00 0.24 -0.16 1.56 0.00 0.00 0.00 178.15 179.79 3eey h GLN 118 N 1.04 -0.30 -0.78 2.37 4.20 -1.45 -1.46 115.11 118.72 3eey h GLN 118 Ca 0.27 0.02 0.01 0.00 0.06 0.00 0.00 58.65 59.01 3eey h GLN 118 Cb 0.00 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 3eey h GLN 118 CO -0.05 -0.20 0.52 0.00 -0.67 0.00 0.00 178.83 178.43 3eey h ALA 119 N 0.54 1.45 -0.36 3.87 0.00 -0.81 -1.19 119.26 122.76 3eey h ALA 119 Ca 0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3eey h ALA 119 Cb 0.33 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3eey h ALA 119 CO -0.09 0.51 0.11 -0.07 0.00 0.00 0.00 179.25 179.72 3eey h LEU 120 N 1.06 0.53 -0.71 0.00 3.38 -0.93 0.27 115.31 118.92 3eey h LEU 120 Ca 0.29 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3eey h LEU 120 Cb -0.11 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 3eey h LEU 120 CO -0.06 0.60 0.43 0.28 0.09 0.00 0.00 178.44 179.77 3eey h SER 121 N 0.43 0.68 -0.37 -0.43 0.02 -0.81 0.88 113.55 113.96 3eey h SER 121 Ca 0.12 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.99 3eey h SER 121 Cb 0.26 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3eey h SER 121 CO -0.00 0.46 -0.10 0.11 -1.14 0.00 0.00 176.83 176.15 3eey h LYS 122 N 0.81 0.72 -0.52 3.45 1.79 -0.94 -2.04 116.57 119.84 3eey h LYS 122 Ca 0.30 -0.28 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3eey h LYS 122 Cb 0.09 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.68 3eey h LYS 122 CO -0.14 0.87 0.33 0.00 -1.08 0.00 0.00 179.45 179.43 3eey h ALA 123 N 0.82 0.66 -0.58 3.86 0.00 -0.28 -0.91 119.26 122.84 3eey h ALA 123 Ca 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3eey h ALA 123 Cb 0.61 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3eey h ALA 123 CO 0.04 0.13 0.29 0.52 0.00 0.00 0.00 179.25 180.22 3eey h MET 124 N 0.70 0.80 -0.39 0.00 2.86 -0.72 -1.61 114.93 116.57 3eey h MET 124 Ca 0.19 -0.09 -0.16 0.00 -2.06 0.00 0.00 59.70 57.58 3eey h MET 124 Cb -0.05 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 3eey h MET 124 CO -0.04 0.61 -0.38 0.93 1.06 0.00 0.00 176.91 179.10 3eey h GLU 125 N 0.81 0.94 0.00 1.72 5.08 -1.05 -3.23 114.58 118.85 3eey h GLU 125 Ca 0.20 -0.49 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3eey h GLU 125 Cb 0.06 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3eey h GLU 125 CO -0.03 1.15 0.00 -0.07 -1.00 0.00 0.00 179.01 179.06 3eey h LEU 126 N 0.77 0.00 -9.77 1.33 3.38 -0.73 -3.46 115.31 106.83 3eey h LEU 126 Ca 0.06 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.51 3eey h LEU 126 Cb 0.97 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.78 3eey h LEU 126 CO 0.09 0.00 0.74 -0.76 0.09 0.00 0.00 178.44 178.60 3eey s LEU 127 N -5.81 4.39 0.57 1.67 1.43 -0.64 -0.70 118.68 119.59 3eey s LEU 127 Ca 0.04 2.67 -0.17 0.00 -1.03 0.00 0.00 54.13 55.64 3eey s LEU 127 Cb 0.08 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 3eey s LEU 127 CO 0.57 -0.67 1.07 0.54 0.23 0.00 0.00 176.35 178.09 3eey s VAL 128 N -0.21 3.61 0.27 -1.59 0.11 0.01 -4.77 120.40 117.83 3eey s VAL 128 Ca 0.57 0.85 -0.30 0.00 -2.93 0.00 0.00 61.98 60.17 3eey s VAL 128 Cb -0.41 -3.34 -0.11 0.00 -1.53 0.00 0.00 36.38 30.98 3eey s VAL 128 CO 0.45 -0.37 1.63 0.42 -3.33 0.00 0.00 175.10 173.90 3eey s THR 129 N -2.22 2.05 0.00 5.04 -4.23 -1.26 -1.19 115.64 113.83 3eey s THR 129 Ca 0.66 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 61.22 3eey s THR 129 Cb -0.18 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.63 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 2.61 0.48 3.94 3.99 0.00 0.78 -5.02 105.19 111.97 3eey n GLY 130 Ca 0.10 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.45 1.44 0.00 -0.02 0.00 -0.33 -4.92 107.32 101.04 3eey s GLY 131 Ca 0.00 -0.97 0.07 0.00 0.00 0.00 0.00 44.72 43.83 3eey s GLY 131 CO 0.00 -0.93 -0.23 -1.50 0.00 0.00 0.00 173.10 170.44 3eey s ILE 132 N -2.09 1.83 -0.10 0.90 1.10 -0.05 -2.17 121.20 120.62 3eey s ILE 132 Ca 0.38 -1.08 0.02 0.00 -0.51 0.00 0.00 60.65 59.45 3eey s ILE 132 Cb -0.10 -1.54 -0.02 0.00 0.15 0.00 0.00 42.46 40.95 3eey s ILE 132 CO 0.32 0.43 -0.15 -0.63 -2.11 0.00 0.00 174.94 172.80 3eey s ILE 133 N -0.63 2.96 -0.10 2.00 1.01 0.24 -1.74 121.20 124.94 3eey s ILE 133 Ca 0.09 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 60.03 3eey s ILE 133 Cb -0.09 -2.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 3eey s ILE 133 CO 0.00 0.55 -0.13 0.42 0.00 0.00 0.00 174.94 175.78 3eey s THR 134 N -0.05 3.11 -0.28 2.92 -4.23 -0.66 -0.44 115.64 116.02 3eey s THR 134 Ca -0.03 -0.67 0.02 0.00 -1.18 0.00 0.00 61.69 59.83 3eey s THR 134 Cb -0.14 -2.27 0.08 0.00 1.34 0.00 0.00 72.50 71.50 3eey s THR 134 CO 0.04 0.55 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.97 3eey s VAL 135 N -0.14 1.70 -0.33 2.29 1.01 0.49 -0.43 120.40 125.00 3eey s VAL 135 Ca -0.01 -1.60 -0.22 0.00 0.00 0.00 0.00 61.98 60.16 3eey s VAL 135 Cb -0.14 -2.07 -0.00 0.00 0.00 0.00 0.00 36.38 34.17 3eey s VAL 135 CO 0.03 -0.32 0.70 -0.69 0.00 0.00 0.00 175.10 174.82 3eey s VAL 136 N 1.26 4.85 -0.26 2.92 1.01 -0.10 -1.10 120.40 128.99 3eey s VAL 136 Ca 0.01 0.88 -0.09 0.00 0.00 0.00 0.00 61.98 62.78 3eey s VAL 136 Cb -0.19 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 3eey s VAL 136 CO -0.10 -0.26 0.11 -0.63 0.00 0.00 0.00 175.10 174.23 3eey s ILE 137 N 2.80 4.68 -0.16 2.22 1.01 -0.14 -0.73 121.20 130.89 3eey s ILE 137 Ca 0.28 -0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.77 3eey s ILE 137 Cb -0.14 -3.20 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 3eey s ILE 137 CO 0.14 0.31 0.19 -0.31 0.00 0.00 0.00 174.94 175.27 3eey s TYR 138 N 1.63 3.48 -0.00 3.97 2.02 -1.21 -2.19 117.35 125.05 3eey s TYR 138 Ca 0.06 0.48 0.00 0.00 -0.37 0.00 0.00 57.07 57.25 3eey s TYR 138 Cb -0.15 -2.17 0.00 0.00 -0.40 0.00 0.00 41.96 39.24 3eey s TYR 138 CO 0.06 0.40 0.81 2.48 -1.57 0.00 0.00 175.55 177.72 3eey n TYR 139 N 3.10 0.00 -0.30 2.71 4.11 -1.26 -4.61 117.16 120.90 3eey n TYR 139 Ca -0.16 -0.31 0.24 0.00 -0.00 0.00 0.00 57.90 57.68 3eey n TYR 139 Cb 0.53 -0.03 0.45 0.00 -0.00 0.00 0.00 39.34 40.28 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 -0.31 -0.89 2.28 -7.48 0.00 -1.26 -3.32 105.19 94.22 3eey n GLY 140 Ca 0.00 0.80 -0.14 0.00 0.00 0.00 0.00 46.02 46.68 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 -1.32 2.58 0.29 -0.02 0.00 -1.26 -4.90 105.19 100.56 3eey n GLY 141 Ca 0.30 -2.23 0.01 0.00 0.00 0.00 0.00 46.02 44.11 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 0.28 0.51 0.17 1.61 2.03 -1.99 0.04 116.42 119.07 3eey h ASP 142 Ca -0.19 -0.06 -0.33 0.00 -0.73 0.00 0.00 57.03 55.72 3eey h ASP 142 Cb 0.75 -0.13 0.01 0.00 -0.83 0.00 0.00 39.33 39.13 3eey h ASP 142 CO 0.29 0.49 -1.63 0.00 -1.03 0.00 0.00 179.24 177.37 3eey h THR 143 N 0.56 0.99 -0.55 1.15 1.03 -1.94 -2.52 112.91 111.62 3eey h THR 143 Ca 0.13 -2.49 0.09 0.00 -0.01 0.00 0.00 66.41 64.14 3eey h THR 143 Cb 0.17 2.77 -0.07 0.00 -1.07 0.00 0.00 68.15 69.95 3eey h THR 143 CO -0.01 0.81 0.16 1.23 -0.01 0.00 0.00 175.52 177.70 3eey h GLY 144 N 0.45 0.73 0.87 2.99 0.00 -1.80 -2.86 103.07 103.44 3eey h GLY 144 Ca -0.33 -0.07 0.03 0.00 0.00 0.00 0.00 47.33 46.96 3eey h GLY 144 CO 0.15 -0.05 0.36 -2.75 0.00 0.00 0.00 176.54 174.25 3eey h PHE 145 N 0.31 0.67 -0.43 5.60 3.04 -0.95 -2.23 116.94 122.95 3eey h PHE 145 Ca 0.28 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.18 3eey h PHE 145 Cb 0.37 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.64 3eey h PHE 145 CO -0.20 0.38 -0.03 1.49 -2.02 0.00 0.00 178.31 177.93 3eey h GLU 146 N 0.71 0.72 -0.05 1.11 4.57 -1.37 -2.93 114.58 117.33 3eey h GLU 146 Ca 0.24 -0.20 -0.05 0.00 -1.18 0.00 0.00 59.36 58.17 3eey h GLU 146 Cb 0.03 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 3eey h GLU 146 CO -0.10 0.76 -0.16 1.49 -1.18 0.00 0.00 179.01 179.82 3eey h GLU 147 N 0.67 0.20 -0.51 1.92 4.81 -1.27 -2.93 114.58 117.47 3eey h GLU 147 Ca 0.13 -0.15 0.10 0.00 -0.13 0.00 0.00 59.36 59.31 3eey h GLU 147 Cb 0.46 0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.76 3eey h GLU 147 CO 0.02 0.76 -0.26 -0.22 -0.73 0.00 0.00 179.01 178.59 3eey h LYS 148 N -0.32 -0.14 -0.20 1.92 3.64 -1.38 0.37 116.57 120.46 3eey h LYS 148 Ca -0.00 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 3eey h LYS 148 Cb 0.78 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.58 3eey h LYS 148 CO 0.03 -0.09 -0.11 0.93 -2.27 0.00 0.00 179.45 177.94 3eey h GLU 149 N -0.14 -0.09 -0.20 1.90 4.39 -1.55 -1.73 114.58 117.15 3eey h GLU 149 Ca 0.23 0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.83 3eey h GLU 149 Cb 0.50 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 3eey h GLU 149 CO -0.59 -0.06 -0.28 0.87 -1.16 0.00 0.00 179.01 177.78 3eey h LYS 150 N -0.10 0.54 -0.41 2.33 1.57 -1.29 -1.85 116.57 117.36 3eey h LYS 150 Ca 0.11 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 3eey h LYS 150 Cb 0.26 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3eey h LYS 150 CO -0.26 0.92 0.18 0.28 -0.57 0.00 0.00 179.45 180.00 3eey h VAL 151 N 0.21 1.18 -0.39 0.50 2.07 -0.86 -1.08 116.25 117.89 3eey h VAL 151 Ca 0.02 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 3eey h VAL 151 Cb 0.86 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 3eey h VAL 151 CO 0.07 0.20 0.07 -0.07 0.02 0.00 0.00 177.57 177.85 3eey h LEU 152 N 0.52 0.61 -0.17 2.57 3.38 -1.38 0.09 115.31 120.92 3eey h LEU 152 Ca 0.14 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.90 3eey h LEU 152 Cb 0.15 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 3eey h LEU 152 CO -0.01 0.71 -0.30 -0.33 0.09 0.00 0.00 178.44 178.60 3eey h GLU 153 N 0.48 -0.34 -0.29 1.13 4.39 -1.20 -1.09 114.58 117.67 3eey h GLU 153 Ca 0.12 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.88 3eey h GLU 153 Cb 0.36 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 3eey h GLU 153 CO 0.01 -0.23 0.05 0.35 -1.16 0.00 0.00 179.01 178.03 3eey h PHE 154 N -0.35 0.09 0.00 4.33 3.57 -0.98 -2.65 116.94 120.94 3eey h PHE 154 Ca 0.11 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 3eey h PHE 154 Cb 0.52 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 3eey h PHE 154 CO -0.41 0.01 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.49 3eey h LEU 155 N 0.16 0.00 -1.89 0.59 3.38 -0.63 -1.67 115.31 115.24 3eey h LEU 155 Ca 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3eey h LEU 155 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3eey h LEU 155 CO -0.19 0.12 -0.13 0.11 0.09 0.00 0.00 178.44 178.45 3eey h LYS 156 N 0.00 0.00 -0.01 1.13 1.57 -0.83 -3.04 116.57 115.39 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 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3eey h LYS 156 CO 0.02 0.13 -0.31 0.41 -0.57 0.00 0.00 179.45 179.12 3eey n GLY 157 N -0.74 -0.56 3.75 3.86 0.00 -0.63 -4.94 105.19 105.93 3eey n GLY 157 Ca -0.02 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.53 2.62 0.04 1.61 1.01 -1.15 -4.92 120.40 117.08 3eey s VAL 158 Ca 0.23 0.52 -0.31 0.00 0.00 0.00 0.00 61.98 62.42 3eey s VAL 158 Cb 0.19 -3.33 -0.10 0.00 0.00 0.00 0.00 36.38 33.14 3eey s VAL 158 CO 0.54 0.08 1.94 -0.67 0.00 0.00 0.00 175.10 177.00 3eey n ASP 159 N 2.31 4.08 0.26 3.32 2.03 -1.26 -4.88 116.55 122.41 3eey n ASP 159 Ca 0.07 0.92 0.15 0.00 0.52 0.00 0.00 54.79 56.45 3eey n ASP 159 Cb 0.40 -1.51 0.58 0.00 -0.72 0.00 0.00 41.12 39.86 3eey n ASP 159 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 3eey h GLN 160 N 10.12 0.00 0.00 -0.67 3.07 -1.92 -0.00 115.11 125.71 3eey h GLN 160 Ca -0.49 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.21 3eey h GLN 160 Cb 1.24 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.80 3eey h GLN 160 CO 0.94 0.06 -0.16 0.87 0.09 0.00 0.00 178.83 180.63 3eey h LYS 161 N 0.00 0.00 0.00 0.06 1.79 -1.99 -3.32 116.57 113.11 3eey h LYS 161 Ca -0.00 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.21 3eey h LYS 161 Cb 0.62 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.22 3eey h LYS 161 CO 0.01 0.16 -1.98 1.63 -1.08 0.00 0.00 179.45 178.19 3eey n LYS 162 N -3.26 1.10 -4.17 3.15 4.76 -0.96 -4.16 118.16 114.63 3eey n LYS 162 Ca 0.01 0.05 -0.16 0.00 -2.87 0.00 0.00 58.31 55.34 3eey n LYS 162 Cb 0.44 -1.35 -0.14 0.00 -1.84 0.00 0.00 35.03 32.14 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 0.59 -0.28 2.13 0.08 -0.05 -0.55 117.98 117.56 3eey s PHE 163 Ca -0.15 -0.20 -0.17 0.00 0.12 0.00 0.00 56.93 56.52 3eey s PHE 163 Cb 0.05 -0.37 -0.03 0.00 -0.57 0.00 0.00 43.02 42.10 3eey s PHE 163 CO 0.49 -0.02 0.48 0.42 -0.10 0.00 0.00 175.22 176.49 3eey s ILE 164 N -0.46 5.09 -0.31 0.64 1.01 -0.01 -4.14 121.20 123.02 3eey s ILE 164 Ca -0.01 0.73 -0.05 0.00 0.00 0.00 0.00 60.65 61.32 3eey s ILE 164 Cb -0.04 -3.82 0.03 0.00 0.01 0.00 0.00 42.46 38.64 3eey s ILE 164 CO -0.00 0.06 0.06 -0.69 0.00 0.00 0.00 174.94 174.37 3eey s VAL 165 N 2.27 3.62 -0.17 2.92 1.01 -1.26 -1.53 120.40 127.26 3eey s VAL 165 Ca 0.19 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 3eey s VAL 165 Cb -0.16 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 3eey s VAL 165 CO 0.10 -0.06 -0.07 -1.58 0.00 0.00 0.00 175.10 173.50 3eey s GLN 166 N 1.40 3.50 -0.13 2.72 0.74 0.06 -4.96 119.66 122.99 3eey s GLN 166 Ca -0.01 -0.60 -0.04 0.00 0.05 0.00 0.00 55.36 54.77 3eey s GLN 166 Cb -0.19 -2.85 -0.03 0.00 1.10 0.00 0.00 33.01 31.04 3eey s GLN 166 CO 0.01 0.11 -0.00 0.50 -0.55 0.00 0.00 175.29 175.36 3eey s ARG 167 N 0.67 3.41 -0.09 1.67 3.52 -1.26 -0.68 118.95 126.19 3eey s ARG 167 Ca -0.04 -0.43 0.04 0.00 -0.13 0.00 0.00 55.73 55.17 3eey s ARG 167 Cb -0.15 -2.91 0.00 0.00 -1.56 0.00 0.00 34.95 30.33 3eey s ARG 167 CO 0.02 0.46 -0.22 0.99 -0.81 0.00 0.00 175.30 175.74 3eey s THR 168 N -0.21 1.92 -0.09 4.11 2.01 0.53 -5.01 115.64 118.89 3eey s THR 168 Ca 0.05 -0.94 -0.06 0.00 0.31 0.00 0.00 61.69 61.05 3eey s THR 168 Cb -0.12 -1.66 0.03 0.00 0.01 0.00 0.00 72.50 70.76 3eey s THR 168 CO 0.02 0.53 0.23 -0.62 -0.69 0.00 0.00 174.62 174.09 3eey s ASP 169 N 0.33 -0.24 -0.61 3.53 -1.08 -1.26 -2.05 116.67 115.30 3eey s ASP 169 Ca -0.17 0.47 -0.16 0.00 -0.52 0.00 0.00 52.55 52.17 3eey s ASP 169 Cb -0.17 0.41 0.14 0.00 -1.46 0.00 0.00 42.92 41.84 3eey s ASP 169 CO 0.08 -0.12 0.58 -0.36 0.52 0.00 0.00 175.17 175.86 3eey s PHE 170 N 0.75 3.32 -0.79 -5.34 0.08 -1.26 -4.95 117.98 109.79 3eey s PHE 170 Ca -0.05 -1.40 0.26 0.00 0.12 0.00 0.00 56.93 55.86 3eey s PHE 170 Cb -0.07 -3.83 0.73 0.00 -0.57 0.00 0.00 43.02 39.28 3eey s PHE 170 CO -0.04 -1.05 1.63 0.44 -0.10 0.00 0.00 175.22 176.10 3eey n ILE 171 N 5.03 0.34 0.26 0.64 -5.35 -1.26 -3.18 119.36 115.84 3eey n ILE 171 Ca -0.08 -0.19 0.10 0.00 -0.27 0.00 0.00 62.75 62.31 3eey n ILE 171 Cb 0.42 -0.34 0.18 0.00 -1.74 0.00 0.00 39.64 38.16 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 -1.98 3.19 -4.85 7.28 6.94 -1.26 -4.94 115.26 119.64 3eey n ASN 172 Ca 0.05 -1.92 -0.38 0.00 -0.02 0.00 0.00 54.58 52.31 3eey n ASN 172 Cb 0.40 -0.21 -0.06 0.00 -2.36 0.00 0.00 39.78 37.55 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 -1.35 3.77 0.72 -3.83 -0.21 -1.19 -5.11 119.66 112.46 3eey s GLN 173 Ca 0.33 0.24 0.01 0.00 0.02 0.00 0.00 55.36 55.96 3eey s GLN 173 Cb 0.19 -3.21 0.14 0.00 1.00 0.00 0.00 33.01 31.13 3eey s GLN 173 CO 0.27 0.72 0.99 0.00 -2.12 0.00 0.00 175.29 175.15 3eey s ALA 174 N -1.07 3.84 -1.20 6.09 0.00 -1.26 -4.64 121.76 123.52 3eey s ALA 174 Ca 0.21 -1.87 -0.02 0.00 0.00 0.00 0.00 51.96 50.29 3eey s ALA 174 Cb -0.15 -1.90 -0.01 0.00 0.00 0.00 0.00 23.12 21.05 3eey s ALA 174 CO 0.10 -1.47 0.91 -1.71 0.00 0.00 0.00 175.76 173.59 3eey n ASN 175 N -2.81 -2.70 -3.65 0.00 5.15 -1.26 -4.10 115.26 105.89 3eey n ASN 175 Ca 0.16 -0.69 -0.23 0.00 -0.60 0.00 0.00 54.58 53.22 3eey n ASN 175 Cb 0.61 -4.84 0.01 0.00 -0.53 0.00 0.00 39.78 35.03 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 -5.00 4.21 0.34 0.00 0.04 -1.26 -4.68 135.00 128.65 3eey s PRO 177 Ca 0.15 2.40 -0.28 0.00 0.04 0.00 0.00 61.00 63.31 3eey s PRO 177 Cb -0.06 -3.11 -0.12 0.00 0.04 0.00 0.00 34.50 31.25 3eey s PRO 177 CO 0.87 -0.56 1.26 -2.30 0.04 0.00 0.00 177.00 176.31 3eey n PRO 178 N 3.09 2.05 -3.96 0.56 -0.02 -1.26 -4.87 135.00 130.58 3eey n PRO 178 Ca 0.11 0.72 -0.36 0.00 -2.02 0.00 0.00 63.50 61.94 3eey n PRO 178 Cb 0.39 -2.29 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 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 5.31 -0.17 4.25 1.01 -0.93 -4.47 121.20 125.10 3eey s ILE 179 Ca 0.56 0.10 -0.06 0.00 0.00 0.00 0.00 60.65 61.26 3eey s ILE 179 Cb -0.58 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 3eey s ILE 179 CO 0.62 0.59 0.02 -0.22 0.00 0.00 0.00 174.94 175.95 3eey s LEU 180 N -1.09 3.58 -0.14 2.97 2.96 -0.87 -0.96 118.68 125.13 3eey s LEU 180 Ca 0.16 -0.00 0.01 0.00 -0.22 0.00 0.00 54.13 54.08 3eey s LEU 180 Cb -0.12 -1.89 -0.00 0.00 0.50 0.00 0.00 46.19 44.68 3eey s LEU 180 CO 0.05 0.18 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.39 3eey s VAL 181 N 0.35 2.49 -0.18 1.68 1.01 -0.26 -0.35 120.40 125.13 3eey s VAL 181 Ca 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 3eey s VAL 181 Cb -0.13 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 3eey s VAL 181 CO 0.01 0.53 -0.06 0.00 0.00 0.00 0.00 175.10 175.58 3eey s ILE 183 N 0.96 2.75 -0.10 0.00 1.01 0.42 -0.76 121.20 125.47 3eey s ILE 183 Ca -0.01 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 59.94 3eey s ILE 183 Cb -0.15 -2.23 -0.00 0.00 0.01 0.00 0.00 42.46 40.09 3eey s ILE 183 CO 0.00 0.45 -0.23 -0.70 0.00 0.00 0.00 174.94 174.47 3eey s GLU 184 N 1.38 3.05 -0.04 2.79 2.12 -0.58 0.79 118.70 128.20 3eey s GLU 184 Ca 0.05 -0.86 -0.30 0.00 0.36 0.00 0.00 54.97 54.22 3eey s GLU 184 Cb -0.14 -2.33 -0.02 0.00 0.26 0.00 0.00 34.13 31.90 3eey s GLU 184 CO -0.08 0.20 1.01 0.21 -0.54 0.00 0.00 175.26 176.07 3eey s LYS 185 N 0.30 4.49 -0.01 4.30 2.20 -0.92 -0.83 119.74 129.26 3eey s LYS 185 Ca -0.17 1.43 0.03 0.00 -0.36 0.00 0.00 55.97 56.91 3eey s LYS 185 Cb -0.17 -3.49 -0.05 0.00 -1.51 0.00 0.00 37.83 32.60 3eey s LYS 185 CO 0.08 -0.19 0.07 0.44 -0.36 0.00 0.00 175.35 175.40 3eey n ILE 186 N 4.21 0.00 -3.74 5.43 -5.35 0.29 -0.15 119.36 120.05 3eey n ILE 186 Ca 0.08 -0.08 -0.13 0.00 -0.27 0.00 0.00 62.75 62.34 3eey n ILE 186 Cb 0.50 0.40 -0.09 0.00 -1.74 0.00 0.00 39.64 38.70 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 -2.41 -0.29 0.72 7.28 0.01 -1.13 -4.88 113.70 113.01 3eey s SER 187 Ca -0.01 0.37 -0.00 0.00 1.31 0.00 0.00 55.95 57.61 3eey s SER 187 Cb 0.02 0.50 0.13 0.00 0.21 0.00 0.00 66.02 66.88 3eey s SER 187 CO 0.14 -0.33 0.99 -1.61 0.41 0.00 0.00 173.24 172.85 3eey s GLU 188 N -0.73 1.67 0.00 12.44 0.41 -1.26 -4.63 118.70 126.60 3eey s GLU 188 Ca -0.08 -1.15 0.00 0.00 -0.41 0.00 0.00 54.97 53.33 3eey s GLU 188 Cb -0.04 -2.34 0.00 0.00 -1.78 0.00 0.00 34.13 29.97 3eey s GLU 188 CO 0.03 -1.45 0.00 0.41 -0.49 0.00 0.00 175.26 173.76