#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3eey s THR 2 N 0.00 4.00 0.08 1.96 2.01 -1.26 -5.09 115.64 117.35 3eey s THR 2 Ca 0.00 -0.42 -0.31 0.00 0.31 0.00 0.00 61.69 61.27 3eey s THR 2 Cb 0.00 -2.68 -0.08 0.00 0.01 0.00 0.00 72.50 69.75 3eey s THR 2 CO 0.00 0.56 1.58 -0.63 -0.69 0.00 0.00 174.62 175.44 3eey s ILE 3 N -0.89 3.09 0.48 1.82 1.01 -1.26 -5.00 121.20 120.44 3eey s ILE 3 Ca 0.14 0.60 -0.12 0.00 0.00 0.00 0.00 60.65 61.28 3eey s ILE 3 Cb -0.11 -3.39 -0.06 0.00 0.01 0.00 0.00 42.46 38.91 3eey s ILE 3 CO 0.03 0.01 0.87 -0.54 0.00 0.00 0.00 174.94 175.32 3eey s LYS 4 N 2.23 3.77 1.37 2.79 1.02 -1.26 -5.08 119.74 124.58 3eey s LYS 4 Ca 0.71 0.61 -0.22 0.00 0.02 0.00 0.00 55.97 57.09 3eey s LYS 4 Cb -0.39 -2.27 0.35 0.00 -0.52 0.00 0.00 37.83 35.00 3eey s LYS 4 CO 0.31 -0.21 0.98 0.54 -0.92 0.00 0.00 175.35 176.05 3eey s ASN 5 N -3.42 -0.63 0.20 2.83 2.20 -1.26 -4.66 114.94 110.21 3eey s ASN 5 Ca 0.53 0.79 -0.11 0.00 -0.94 0.00 0.00 52.86 53.13 3eey s ASN 5 Cb -0.10 -1.10 0.14 0.00 -2.00 0.00 0.00 41.25 38.19 3eey s ASN 5 CO 0.37 -5.09 1.87 0.28 -2.94 0.00 0.00 177.10 171.59 3eey h SER 6 N -3.24 0.84 -0.54 3.54 0.02 -1.95 -0.65 113.55 111.57 3eey h SER 6 Ca -0.43 -0.03 0.02 0.00 -0.84 0.00 0.00 61.79 60.51 3eey h SER 6 Cb 1.33 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.63 3eey h SER 6 CO 0.29 0.61 0.33 0.25 -1.14 0.00 0.00 176.83 177.18 3eey h LEU 7 N 0.98 0.55 -0.68 5.07 5.85 -1.92 -1.16 115.31 124.00 3eey h LEU 7 Ca 0.26 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.85 3eey h LEU 7 Cb -0.10 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 3eey h LEU 7 CO -0.06 0.39 -0.36 1.23 -0.34 0.00 0.00 178.44 179.31 3eey h GLY 8 N 0.67 0.66 1.65 3.75 0.00 -1.84 -3.19 103.07 104.77 3eey h GLY 8 Ca 0.21 -0.64 -0.15 0.00 0.00 0.00 0.00 47.33 46.75 3eey h GLY 8 CO -0.08 0.58 -0.58 1.46 0.00 0.00 0.00 176.54 177.92 3eey h GLN 9 N 0.51 0.37 -0.88 4.80 4.20 -0.81 -2.84 115.11 120.46 3eey h GLN 9 Ca 0.05 -0.24 0.04 0.00 0.06 0.00 0.00 58.65 58.56 3eey h GLN 9 Cb 0.86 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.62 3eey h GLN 9 CO 0.07 0.84 0.56 0.66 -0.67 0.00 0.00 178.83 180.30 3eey h SER 10 N 0.28 0.92 -0.54 1.46 4.64 -1.21 -0.58 113.55 118.51 3eey h SER 10 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 3eey h SER 10 Cb 1.10 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.96 3eey h SER 10 CO 0.10 0.62 0.20 0.45 -0.87 0.00 0.00 176.83 177.33 3eey h HIS 11 N 1.07 0.84 -0.56 4.77 3.86 -1.56 -1.63 115.15 121.93 3eey h HIS 11 Ca 0.36 -0.07 -0.04 0.00 -1.16 0.00 0.00 60.37 59.46 3eey h HIS 11 Cb 0.06 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.25 3eey h HIS 11 CO -0.02 0.70 0.21 -0.44 0.86 0.00 0.00 177.93 179.24 3eey h ASP 12 N 0.74 0.79 -0.22 2.45 3.32 -1.23 -1.10 116.42 121.17 3eey h ASP 12 Ca 0.18 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3eey h ASP 12 Cb 0.22 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3eey h ASP 12 CO -0.01 0.76 -0.01 1.88 -1.72 0.00 0.00 179.24 180.14 3eey h TYR 13 N 0.78 0.53 -0.17 4.55 -1.99 -1.05 -2.60 116.97 117.02 3eey h TYR 13 Ca 0.19 -0.05 -0.13 0.00 2.00 0.00 0.00 58.73 60.74 3eey h TYR 13 Cb 0.22 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 38.80 3eey h TYR 13 CO 0.01 0.53 -0.39 0.82 -0.00 0.00 0.00 178.16 179.12 3eey h ILE 14 N 0.49 1.34 -0.87 -2.88 1.08 -1.00 -3.07 117.51 112.59 3eey h ILE 14 Ca 0.11 -1.65 0.05 0.00 -0.39 0.00 0.00 64.86 62.98 3eey h ILE 14 Cb 0.33 1.95 -0.05 0.00 -3.07 0.00 0.00 36.82 35.97 3eey h ILE 14 CO 0.01 0.50 0.57 0.11 -0.69 0.00 0.00 178.15 178.65 3eey h LYS 15 N 0.22 0.98 -0.70 2.37 1.57 -1.15 0.24 116.57 120.12 3eey h LYS 15 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3eey h LYS 15 Cb 1.00 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 3eey h LYS 15 CO 0.09 0.65 0.44 0.52 -0.57 0.00 0.00 179.45 180.57 3eey h MET 16 N 1.01 0.93 0.01 3.15 2.86 -1.45 -3.33 114.93 118.11 3eey h MET 16 Ca 0.37 -0.07 -0.36 0.00 -2.06 0.00 0.00 59.70 57.58 3eey h MET 16 Cb 0.15 -0.20 -0.06 0.00 0.06 0.00 0.00 31.60 31.54 3eey h MET 16 CO -0.13 0.64 -2.26 1.19 1.06 0.00 0.00 176.91 177.41 3eey n PHE 17 N -4.41 0.28 -3.10 -0.22 3.72 -0.70 -4.92 117.46 108.11 3eey n PHE 17 Ca 0.07 0.09 -0.41 0.00 -0.05 0.00 0.00 57.45 57.15 3eey n PHE 17 Cb 0.05 -1.05 -0.06 0.00 -0.94 0.00 0.00 39.48 37.48 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 -2.52 4.92 0.54 -4.37 1.01 -0.01 -5.02 120.40 114.96 3eey s VAL 18 Ca -0.16 0.86 0.07 0.00 0.00 0.00 0.00 61.98 62.75 3eey s VAL 18 Cb 0.07 -4.02 0.06 0.00 0.00 0.00 0.00 36.38 32.50 3eey s VAL 18 CO 0.77 -0.16 0.75 -0.54 0.00 0.00 0.00 175.10 175.91 3eey s LYS 19 N 2.65 2.41 0.20 2.72 -0.14 -1.26 -4.85 119.74 121.46 3eey s LYS 19 Ca 0.26 -1.36 -0.30 0.00 -1.36 0.00 0.00 55.97 53.21 3eey s LYS 19 Cb -0.15 -2.62 -0.08 0.00 -1.68 0.00 0.00 37.83 33.30 3eey s LYS 19 CO 0.12 -0.74 1.13 -1.21 -0.76 0.00 0.00 175.35 173.89 3eey s GLU 20 N -4.64 4.57 0.00 1.68 2.02 -1.25 -3.23 118.70 117.85 3eey s GLU 20 Ca 0.60 1.78 0.00 0.00 0.02 0.00 0.00 54.97 57.37 3eey s GLU 20 Cb -0.07 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 30.91 3eey s GLU 20 CO 0.38 0.06 0.00 0.41 0.02 0.00 0.00 175.26 176.13 3eey n GLY 21 N 1.88 0.67 3.82 -1.39 0.00 0.11 -4.96 105.19 105.32 3eey n GLY 21 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3eey n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3eey s ASP 22 N -2.93 4.90 -0.24 1.61 1.01 -1.20 -4.44 116.67 115.38 3eey s ASP 22 Ca 0.00 1.39 -0.08 0.00 0.71 0.00 0.00 52.55 54.57 3eey s ASP 22 Cb 0.00 -2.18 -0.03 0.00 1.01 0.00 0.00 42.92 41.71 3eey s ASP 22 CO 0.00 -1.72 0.08 -0.89 0.21 0.00 0.00 175.17 172.85 3eey s THR 23 N -3.14 4.49 0.28 -1.27 2.01 -1.26 -1.97 115.64 114.78 3eey s THR 23 Ca 0.60 -0.11 0.06 0.00 0.31 0.00 0.00 61.69 62.55 3eey s THR 23 Cb -0.14 -3.09 -0.06 0.00 0.01 0.00 0.00 72.50 69.22 3eey s THR 23 CO 0.54 0.35 -0.06 0.68 -0.69 0.00 0.00 174.62 175.44 3eey s VAL 24 N 1.42 1.62 -0.07 3.82 -7.23 -0.26 -0.56 120.40 119.15 3eey s VAL 24 Ca 0.06 -2.12 0.02 0.00 -1.81 0.00 0.00 61.98 58.12 3eey s VAL 24 Cb -0.15 -2.45 0.02 0.00 0.56 0.00 0.00 36.38 34.36 3eey s VAL 24 CO 0.04 -0.30 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.75 3eey s VAL 25 N -3.02 0.96 -0.46 1.32 1.01 0.16 -1.29 120.40 119.08 3eey s VAL 25 Ca 0.29 -0.36 -0.17 0.00 0.00 0.00 0.00 61.98 61.75 3eey s VAL 25 Cb 0.04 -0.91 0.05 0.00 0.00 0.00 0.00 36.38 35.55 3eey s VAL 25 CO 0.12 0.32 0.46 -0.62 0.00 0.00 0.00 175.10 175.38 3eey s ASP 26 N 0.87 6.18 0.07 3.32 -1.08 -0.14 -0.83 116.67 125.07 3eey s ASP 26 Ca -0.11 -0.95 0.28 0.00 -0.52 0.00 0.00 52.55 51.24 3eey s ASP 26 Cb -0.15 -2.22 1.01 0.00 -1.46 0.00 0.00 42.92 40.10 3eey s ASP 26 CO 0.01 -0.67 1.82 0.00 0.52 0.00 0.00 175.17 176.85 3eey n ALA 27 N 5.59 2.43 -3.39 3.66 0.00 -0.39 -1.90 120.51 126.52 3eey n ALA 27 Ca -0.09 -0.10 -0.26 0.00 0.00 0.00 0.00 53.44 52.98 3eey n ALA 27 Cb 0.46 -1.43 -0.10 0.00 0.00 0.00 0.00 19.45 18.38 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 -3.04 0.21 0.10 0.00 -4.23 -1.24 -4.57 115.64 102.87 3eey s THR 28 Ca 0.12 -2.29 -0.29 0.00 -1.18 0.00 0.00 61.69 58.05 3eey s THR 28 Cb 0.17 -1.15 -0.11 0.00 1.34 0.00 0.00 72.50 72.74 3eey s THR 28 CO 0.57 -1.11 1.63 0.00 -0.54 0.00 0.00 174.62 175.17 3eey n GLY 30 N -1.41 3.90 0.01 0.00 0.00 -1.26 -1.67 105.19 104.75 3eey n GLY 30 Ca -0.08 -0.00 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 6.41 0.18 0.00 1.61 3.02 -1.26 -4.44 115.26 120.78 3eey n ASN 31 Ca 0.00 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 3eey n ASN 31 Cb 0.00 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 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 1.49 1.01 0.12 7.41 0.00 -0.67 -3.93 105.19 110.61 3eey n GLY 32 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 0.27 0.61 1.61 2.35 -1.93 -0.11 115.58 118.38 3eey h ASN 33 Ca 0.00 -0.12 -0.11 0.00 -0.55 0.00 0.00 56.30 55.53 3eey h ASN 33 Cb 0.00 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 3eey h ASN 33 CO 0.00 0.31 -0.51 0.44 -1.65 0.00 0.00 177.43 176.02 3eey h ASP 34 N 0.21 0.00 -0.25 5.81 3.32 -1.94 -1.63 116.42 121.95 3eey h ASP 34 Ca 0.07 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 3eey h ASP 34 Cb 0.11 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 3eey h ASP 34 CO -0.01 0.51 -0.19 0.74 -1.72 0.00 0.00 179.24 178.57 3eey h THR 35 N 0.00 1.31 -0.42 0.35 2.02 -1.79 -0.15 112.91 114.24 3eey h THR 35 Ca -0.01 -1.33 -0.03 0.00 0.77 0.00 0.00 66.41 65.82 3eey h THR 35 Cb 0.95 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.97 3eey h THR 35 CO 0.07 0.42 0.16 0.00 0.37 0.00 0.00 175.52 176.53 3eey h ALA 36 N 0.70 0.54 -0.22 6.16 0.00 -0.97 -1.24 119.26 124.23 3eey h ALA 36 Ca 0.05 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.85 3eey h ALA 36 Cb 0.73 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3eey h ALA 36 CO 0.05 0.15 -0.03 0.35 0.00 0.00 0.00 179.25 179.77 3eey h PHE 37 N 0.53 -0.07 -0.06 0.00 3.57 -1.23 -1.31 116.94 118.36 3eey h PHE 37 Ca 0.14 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 3eey h PHE 37 Cb 0.20 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 3eey h PHE 37 CO 0.00 -0.07 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.74 3eey h LEU 38 N 0.03 0.10 -0.34 0.59 3.38 -0.93 -2.93 115.31 115.20 3eey h LEU 38 Ca 0.10 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.86 3eey h LEU 38 Cb 0.15 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3eey h LEU 38 CO -0.20 0.31 -0.65 0.00 0.09 0.00 0.00 178.44 177.99 3eey h ALA 39 N 1.70 0.51 -0.01 1.53 0.00 -0.60 -2.97 119.26 119.43 3eey h ALA 39 Ca 0.02 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 3eey h ALA 39 Cb 0.42 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3eey h ALA 39 CO 0.03 0.70 -0.44 0.66 0.00 0.00 0.00 179.25 180.20 3eey h SER 40 N 0.49 0.01 1.49 0.00 4.64 -1.15 -3.05 113.55 115.99 3eey h SER 40 Ca -0.01 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.21 3eey h SER 40 Cb 1.24 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 3eey h SER 40 CO 0.13 0.46 -0.43 -0.07 -0.87 0.00 0.00 176.83 176.05 3eey h LEU 41 N 0.01 0.00 0.00 5.97 3.38 -1.50 -3.35 115.31 119.82 3eey h LEU 41 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3eey h LEU 41 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3eey h LEU 41 CO 0.06 0.43 -1.55 0.55 0.09 0.00 0.00 178.44 178.02 3eey n VAL 42 N -3.23 0.13 -3.05 1.22 3.14 -1.13 -3.82 118.33 111.60 3eey n VAL 42 Ca 0.02 -0.41 0.01 0.00 -2.96 0.00 0.00 64.34 61.01 3eey n VAL 42 Cb 0.69 0.09 -0.00 0.00 -1.06 0.00 0.00 33.84 33.56 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 1.29 -1.95 0.32 7.55 0.00 -1.17 0.07 105.19 111.31 3eey n GLY 43 Ca -0.01 -1.37 -0.04 0.00 0.00 0.00 0.00 46.02 44.60 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 0.98 -0.35 1.61 4.57 -1.96 -3.04 114.58 116.39 3eey h GLU 44 Ca 0.00 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 3eey h GLU 44 Cb 0.09 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 3eey h GLU 44 CO 0.00 0.83 0.00 0.09 -1.18 0.00 0.00 179.01 178.75 3eey n ASN 45 N -4.28 2.66 -4.99 1.04 3.02 -1.26 -4.89 115.26 106.55 3eey n ASN 45 Ca 0.05 -1.90 -0.19 0.00 -0.03 0.00 0.00 54.58 52.51 3eey n ASN 45 Cb 0.20 -0.23 0.01 0.00 -0.61 0.00 0.00 39.78 39.15 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 -1.38 1.77 -0.05 7.41 0.00 -1.15 -4.62 107.32 109.30 3eey s GLY 46 Ca 0.35 -1.46 0.01 0.00 0.00 0.00 0.00 44.72 43.62 3eey s GLY 46 CO 0.28 -1.29 -0.05 -1.60 0.00 0.00 0.00 173.10 170.44 3eey s ARG 47 N -4.40 0.86 -0.21 2.90 6.06 -0.83 -4.75 118.95 118.58 3eey s ARG 47 Ca 0.52 -0.11 -0.03 0.00 -2.50 0.00 0.00 55.73 53.61 3eey s ARG 47 Cb -0.10 -0.88 -0.01 0.00 0.06 0.00 0.00 34.95 34.02 3eey s ARG 47 CO 0.34 -0.09 -0.06 0.08 -2.50 0.00 0.00 175.30 173.06 3eey s VAL 48 N 0.98 3.23 -0.20 7.11 1.01 -0.29 -1.10 120.40 131.13 3eey s VAL 48 Ca -0.10 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.17 3eey s VAL 48 Cb -0.14 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 3eey s VAL 48 CO -0.00 0.44 0.44 -0.36 0.00 0.00 0.00 175.10 175.62 3eey s PHE 49 N 1.38 3.38 -0.05 5.22 0.08 -0.41 -0.43 117.98 127.15 3eey s PHE 49 Ca 0.05 0.67 0.04 0.00 0.12 0.00 0.00 56.93 57.81 3eey s PHE 49 Cb -0.14 -2.57 -0.02 0.00 -0.57 0.00 0.00 43.02 39.72 3eey s PHE 49 CO -0.04 -0.03 -0.16 0.20 -0.10 0.00 0.00 175.22 175.09 3eey s GLY 50 N 1.06 1.49 -0.03 4.36 0.00 0.15 -0.96 107.32 113.38 3eey s GLY 50 Ca 0.21 -0.99 0.04 0.00 0.00 0.00 0.00 44.72 43.97 3eey s GLY 50 CO 0.09 -0.73 -0.13 -1.36 0.00 0.00 0.00 173.10 170.97 3eey s PHE 51 N -0.58 1.33 0.10 1.90 0.08 -0.80 -0.27 117.98 119.74 3eey s PHE 51 Ca 0.08 -0.35 -0.18 0.00 0.12 0.00 0.00 56.93 56.61 3eey s PHE 51 Cb -0.11 -0.90 0.04 0.00 -0.57 0.00 0.00 43.02 41.47 3eey s PHE 51 CO 0.01 -0.12 0.44 0.34 -0.10 0.00 0.00 175.22 175.79 3eey s ASP 52 N 0.06 -0.31 0.00 1.36 -1.08 -1.12 -1.05 116.67 114.53 3eey s ASP 52 Ca -0.02 -0.15 0.23 0.00 -0.52 0.00 0.00 52.55 52.09 3eey s ASP 52 Cb -0.09 0.48 0.13 0.00 -1.46 0.00 0.00 42.92 41.97 3eey s ASP 52 CO 0.01 -0.80 1.17 2.30 0.52 0.00 0.00 175.17 178.37 3eey n ILE 53 N 0.01 0.00 -4.41 4.11 -5.35 -1.26 -2.60 119.36 109.87 3eey n ILE 53 Ca -0.17 -0.20 -0.35 0.00 -0.27 0.00 0.00 62.75 61.77 3eey n ILE 53 Cb 0.62 1.03 -0.10 0.00 -1.74 0.00 0.00 39.64 39.46 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 -2.56 2.98 0.27 6.28 -0.21 -1.26 -4.95 119.66 120.20 3eey s GLN 54 Ca 0.18 -0.43 0.05 0.00 0.02 0.00 0.00 55.36 55.19 3eey s GLN 54 Cb 0.18 -2.77 0.37 0.00 1.00 0.00 0.00 33.01 31.79 3eey s GLN 54 CO 0.60 0.68 1.65 -0.44 -2.12 0.00 0.00 175.29 175.66 3eey h ASP 55 N 5.22 0.29 -0.71 5.90 3.32 -2.00 -2.66 116.42 125.78 3eey h ASP 55 Ca -0.50 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 56.37 3eey h ASP 55 Cb 1.19 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.63 3eey h ASP 55 CO 0.54 0.72 0.26 0.50 -1.72 0.00 0.00 179.24 179.54 3eey h LYS 56 N 0.22 1.09 -0.22 3.56 3.64 -1.99 -2.20 116.57 120.66 3eey h LYS 56 Ca 0.01 -0.21 -0.19 0.00 -1.27 0.00 0.00 60.65 58.99 3eey h LYS 56 Cb 0.92 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 3eey h LYS 56 CO 0.07 0.91 -0.61 0.00 -2.27 0.00 0.00 179.45 177.56 3eey h ALA 57 N 1.12 0.50 -0.58 5.00 0.00 -1.78 -2.23 119.26 121.29 3eey h ALA 57 Ca 0.23 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 3eey h ALA 57 Cb 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3eey h ALA 57 CO -0.01 0.69 0.04 0.82 0.00 0.00 0.00 179.25 180.79 3eey h ILE 58 N 0.56 1.26 -0.39 0.00 1.08 -1.45 -2.26 117.51 116.31 3eey h ILE 58 Ca -0.00 -1.07 -0.08 0.00 -0.39 0.00 0.00 64.86 63.31 3eey h ILE 58 Cb 1.21 0.81 -0.01 0.00 -3.07 0.00 0.00 36.82 35.75 3eey h ILE 58 CO 0.13 0.39 -0.07 0.00 -0.69 0.00 0.00 178.15 177.90 3eey h ALA 59 N 0.99 0.54 -0.33 1.87 0.00 -1.37 -0.82 119.26 120.14 3eey h ALA 59 Ca 0.17 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3eey h ALA 59 Cb 0.49 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3eey h ALA 59 CO 0.02 0.38 -0.09 -0.91 0.00 0.00 0.00 179.25 178.65 3eey h ASN 60 N 0.55 0.53 -0.07 0.00 2.35 -1.41 -1.00 115.58 116.52 3eey h ASN 60 Ca 0.10 -0.13 -0.20 0.00 -0.55 0.00 0.00 56.30 55.52 3eey h ASN 60 Cb 0.58 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.82 3eey h ASN 60 CO 0.03 0.66 -0.71 0.74 -1.65 0.00 0.00 177.43 176.51 3eey h THR 61 N 0.51 1.30 -0.58 2.81 2.02 -1.30 -1.88 112.91 115.78 3eey h THR 61 Ca 0.10 -1.95 -0.03 0.00 0.77 0.00 0.00 66.41 65.29 3eey h THR 61 Cb 0.47 1.93 -0.03 0.00 -1.74 0.00 0.00 68.15 68.78 3eey h THR 61 CO 0.03 0.61 0.23 0.74 0.37 0.00 0.00 175.52 177.50 3eey h THR 62 N 0.50 1.23 -0.11 3.16 2.02 -0.95 -1.83 112.91 116.92 3eey h THR 62 Ca -0.03 -0.71 -0.00 0.00 0.77 0.00 0.00 66.41 66.44 3eey h THR 62 Cb 1.32 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 3eey h THR 62 CO 0.14 0.27 0.05 0.50 0.37 0.00 0.00 175.52 176.86 3eey h LYS 63 N 0.80 0.17 -0.23 6.66 3.64 -1.19 -2.02 116.57 124.39 3eey h LYS 63 Ca 0.19 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.61 3eey h LYS 63 Cb 0.20 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.93 3eey h LYS 63 CO -0.02 0.24 -0.21 0.87 -2.27 0.00 0.00 179.45 178.06 3eey h LYS 64 N 0.06 -0.21 -0.02 1.90 1.79 -1.25 -2.18 116.57 116.66 3eey h LYS 64 Ca 0.04 0.01 -0.15 0.00 -2.18 0.00 0.00 60.65 58.38 3eey h LYS 64 Cb 0.13 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 3eey h LYS 64 CO -0.00 -0.14 -0.67 -0.07 -1.08 0.00 0.00 179.45 177.48 3eey h LEU 65 N -0.21 0.10 -0.35 2.94 3.38 -1.31 -2.80 115.31 117.06 3eey h LEU 65 Ca 0.13 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.86 3eey h LEU 65 Cb 0.42 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3eey h LEU 65 CO -0.36 0.74 -0.55 0.74 0.09 0.00 0.00 178.44 179.10 3eey h THR 66 N 0.06 1.29 0.00 0.22 2.02 -1.28 0.42 112.91 115.63 3eey h THR 66 Ca -0.01 -1.75 -0.03 0.00 0.77 0.00 0.00 66.41 65.39 3eey h THR 66 Cb 1.20 1.67 -0.00 0.00 -1.74 0.00 0.00 68.15 69.27 3eey h THR 66 CO 0.09 0.57 -0.12 0.44 0.37 0.00 0.00 175.52 176.87 3eey h ASP 67 N 0.61 0.00 -0.63 4.18 5.19 -1.31 -2.75 116.42 121.71 3eey h ASP 67 Ca 0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 3eey h ASP 67 Cb 1.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.66 3eey h ASP 67 CO 0.12 0.12 0.00 0.18 -3.12 0.00 0.00 179.24 176.54 3eey n LEU 68 N -3.28 4.03 -3.85 1.55 4.77 -1.07 -4.97 117.00 114.18 3eey n LEU 68 Ca 0.00 -2.16 -0.26 0.00 -0.03 0.00 0.00 56.01 53.56 3eey n LEU 68 Cb 0.36 -0.48 0.01 0.00 -2.33 0.00 0.00 43.42 40.99 3eey n LEU 68 CO 0.30 0.89 -0.06 -3.20 -1.33 0.00 0.00 177.39 173.99 3eey n ASN 69 N 1.24 -2.07 0.00 -1.43 2.85 -1.04 -4.91 115.26 109.90 3eey n ASN 69 Ca 0.23 -0.87 0.00 0.00 -0.11 0.00 0.00 54.58 53.83 3eey n ASN 69 Cb 0.68 -3.68 0.00 0.00 1.24 0.00 0.00 39.78 38.02 3eey n ASN 69 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3eey n LEU 70 N -4.42 0.49 0.29 1.20 4.77 0.14 -4.77 117.00 114.70 3eey n LEU 70 Ca -0.19 -0.66 0.17 0.00 -0.03 0.00 0.00 56.01 55.31 3eey n LEU 70 Cb 0.63 0.00 0.86 0.00 -2.33 0.00 0.00 43.42 42.58 3eey n LEU 70 CO 0.73 0.12 1.04 -0.29 -1.33 0.00 0.00 177.39 177.67 3eey h ILE 71 N 0.10 0.24 -0.23 -0.08 6.09 -1.79 -3.13 117.51 118.70 3eey h ILE 71 Ca 0.00 -0.37 -0.06 0.00 -1.37 0.00 0.00 64.86 63.06 3eey h ILE 71 Cb 0.05 1.29 -0.01 0.00 0.47 0.00 0.00 36.82 38.62 3eey h ILE 71 CO 0.00 0.05 -0.12 0.44 -3.07 0.00 0.00 178.15 175.44 3eey h ASP 72 N 0.00 0.37 -0.30 2.19 3.32 -1.89 -2.89 116.42 117.22 3eey h ASP 72 Ca -0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3eey h ASP 72 Cb 0.29 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3eey h ASP 72 CO 0.01 0.53 0.00 -2.11 -1.72 0.00 0.00 179.24 175.94 3eey n ARG 73 N -4.23 2.46 -4.30 3.56 0.00 -1.18 -4.91 116.66 108.05 3eey n ARG 73 Ca 0.00 -2.18 -0.34 0.00 -0.00 0.00 0.00 57.85 55.33 3eey n ARG 73 Cb 0.30 -1.50 -0.12 0.00 -0.00 0.00 0.00 32.46 31.14 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 -1.63 4.06 -0.43 8.89 1.01 -1.09 -1.14 120.40 130.06 3eey s VAL 74 Ca 0.36 -0.29 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 3eey s VAL 74 Cb 0.22 -2.80 0.07 0.00 0.00 0.00 0.00 36.38 33.88 3eey s VAL 74 CO 0.31 0.48 0.30 -0.89 0.00 0.00 0.00 175.10 175.31 3eey s THR 75 N 0.41 4.62 -0.14 3.92 2.01 0.43 -4.97 115.64 121.93 3eey s THR 75 Ca -0.02 -1.23 -0.22 0.00 0.31 0.00 0.00 61.69 60.53 3eey s THR 75 Cb -0.14 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 3eey s THR 75 CO 0.02 -0.51 0.65 -0.76 -0.69 0.00 0.00 174.62 173.33 3eey s LEU 76 N 1.51 4.22 -0.13 4.42 1.43 -1.26 -0.68 118.68 128.19 3eey s LEU 76 Ca 0.03 0.97 0.02 0.00 -1.03 0.00 0.00 54.13 54.12 3eey s LEU 76 Cb -0.23 -2.95 0.02 0.00 0.03 0.00 0.00 46.19 43.05 3eey s LEU 76 CO 0.04 -0.20 -0.17 -0.63 0.23 0.00 0.00 176.35 175.62 3eey s ILE 77 N 1.40 1.71 -1.23 -0.59 1.01 0.63 -4.96 121.20 119.17 3eey s ILE 77 Ca 0.32 -0.76 -0.13 0.00 0.00 0.00 0.00 60.65 60.08 3eey s ILE 77 Cb -0.16 -1.55 0.16 0.00 0.01 0.00 0.00 42.46 40.92 3eey s ILE 77 CO 0.13 0.48 1.51 1.17 0.00 0.00 0.00 174.94 178.23 3eey n LYS 78 N 4.30 3.38 -3.76 2.79 4.81 -1.26 -2.79 118.16 125.63 3eey n LYS 78 Ca -0.19 -3.77 -0.10 0.00 -0.87 0.00 0.00 58.31 53.38 3eey n LYS 78 Cb 0.51 -3.06 -0.04 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 2.70 -0.23 0.45 3.14 -1.08 -1.07 -4.96 116.67 115.63 3eey s ASP 79 Ca 0.43 -0.53 -0.22 0.00 -0.52 0.00 0.00 52.55 51.71 3eey s ASP 79 Cb -0.01 0.56 -0.08 0.00 -1.46 0.00 0.00 42.92 41.93 3eey s ASP 79 CO 0.01 -1.04 1.09 -0.83 0.52 0.00 0.00 175.17 174.92 3eey s GLY 80 N -2.88 2.69 0.52 2.66 0.00 -1.26 -3.55 107.32 105.49 3eey s GLY 80 Ca 0.10 0.76 0.34 0.00 0.00 0.00 0.00 44.72 45.93 3eey s GLY 80 CO -0.02 1.17 2.03 1.12 0.00 0.00 0.00 173.10 177.40 3eey h HIS 81 N 2.00 0.00 0.00 1.90 2.07 -1.92 -0.93 115.15 118.27 3eey h HIS 81 Ca -0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 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 0.55 0.00 0.00 -0.56 -3.07 0.00 0.00 177.93 174.85 3eey h GLN 82 N 0.00 0.00 -0.38 5.12 -0.00 -1.91 -2.63 115.11 115.30 3eey h GLN 82 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3eey h GLN 82 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.72 3eey h GLN 82 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 178.83 178.92 3eey n ASN 83 N -2.54 4.54 0.28 0.06 3.02 -0.35 -4.59 115.26 115.68 3eey n ASN 83 Ca -0.01 -2.95 0.15 0.00 -0.03 0.00 0.00 54.58 51.75 3eey n ASN 83 Cb 0.12 -0.59 0.79 0.00 -0.61 0.00 0.00 39.78 39.50 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 2.65 0.00 0.00 3.52 -0.00 -1.61 -2.09 114.93 117.40 3eey h MET 84 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3eey h MET 84 Cb 1.62 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.22 3eey h MET 84 CO 0.31 0.08 0.00 0.38 -0.00 0.00 0.00 176.91 177.68 3eey h ASP 85 N 0.00 0.00 1.30 -0.10 2.03 -1.84 -2.76 116.42 115.05 3eey h ASP 85 Ca -0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 3eey h ASP 85 Cb 0.35 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.85 3eey h ASP 85 CO 0.01 0.00 -0.04 0.11 -1.03 0.00 0.00 179.24 178.29 3eey h LYS 86 N 0.00 0.00 0.00 4.15 1.57 -1.76 -3.33 116.57 117.19 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 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3eey h LYS 86 CO 0.00 0.04 -0.84 0.66 -0.57 0.00 0.00 179.45 178.74 3eey n TYR 87 N -3.13 0.00 -4.66 -1.35 4.01 -1.09 -4.99 117.16 105.95 3eey n TYR 87 Ca 0.02 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.49 3eey n TYR 87 Cb 0.40 -0.08 -0.17 0.00 -0.31 0.00 0.00 39.34 39.19 3eey n TYR 87 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3eey s ILE 88 N -2.03 1.36 0.00 -0.72 1.01 -1.06 -5.01 121.20 114.75 3eey s ILE 88 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.05 3eey s ILE 88 Cb 0.04 -1.23 0.00 0.00 0.01 0.00 0.00 42.46 41.28 3eey s ILE 88 CO 0.23 0.41 0.00 -0.90 0.00 0.00 0.00 174.94 174.68 3eey n ASP 89 N 3.86 1.26 -4.89 3.58 5.75 -1.26 -4.67 116.55 120.17 3eey n ASP 89 Ca -0.21 -0.27 -0.29 0.00 -0.01 0.00 0.00 54.79 54.01 3eey n ASP 89 Cb 0.52 0.79 -0.02 0.00 -1.03 0.00 0.00 41.12 41.37 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 -3.95 4.22 0.04 0.00 0.02 -1.26 -4.96 135.00 129.11 3eey s PRO 91 Ca 0.48 2.39 0.02 0.00 0.02 0.00 0.00 61.00 63.90 3eey s PRO 91 Cb -0.10 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.30 3eey s PRO 91 CO 0.34 -0.47 0.07 0.14 -0.33 0.00 0.00 177.00 176.75 3eey s VAL 92 N -0.10 4.57 -0.03 3.83 -7.23 0.21 -4.68 120.40 116.98 3eey s VAL 92 Ca 0.60 -0.62 -0.13 0.00 -1.81 0.00 0.00 61.98 60.02 3eey s VAL 92 Cb -0.44 -3.15 -0.32 0.00 0.56 0.00 0.00 36.38 33.04 3eey s VAL 92 CO 0.46 0.23 0.77 0.50 -0.31 0.00 0.00 175.10 176.75 3eey h LYS 93 N 3.69 0.43 -3.14 4.82 1.63 -1.16 0.00 116.57 122.85 3eey h LYS 93 Ca -0.48 -0.74 -0.13 0.00 -0.85 0.00 0.00 60.65 58.45 3eey h LYS 93 Cb 1.17 0.28 -0.21 0.00 -0.60 0.00 0.00 32.23 32.86 3eey h LYS 93 CO 0.64 1.36 -0.35 0.00 -3.45 0.00 0.00 179.45 177.65 3eey s ALA 94 N -2.57 -0.67 -0.07 5.00 0.00 -1.25 -1.05 121.76 121.15 3eey s ALA 94 Ca -0.14 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.15 3eey s ALA 94 Cb 0.05 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.16 3eey s ALA 94 CO 0.88 -0.22 -0.08 0.08 0.00 0.00 0.00 175.76 176.41 3eey s VAL 95 N -1.03 0.90 -0.20 0.00 1.01 -0.52 -0.67 120.40 119.89 3eey s VAL 95 Ca -0.11 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 3eey s VAL 95 Cb -0.05 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 3eey s VAL 95 CO 0.03 0.31 0.05 -0.04 0.00 0.00 0.00 175.10 175.45 3eey s MET 96 N 0.99 3.79 -0.13 2.72 -1.94 -0.01 -1.75 119.30 122.99 3eey s MET 96 Ca -0.09 -0.43 0.01 0.00 -1.71 0.00 0.00 55.69 53.47 3eey s MET 96 Cb -0.15 -3.20 -0.01 0.00 2.01 0.00 0.00 34.83 33.49 3eey s MET 96 CO 0.00 0.09 -0.15 -0.06 -0.01 0.00 0.00 175.02 174.89 3eey s PHE 97 N 0.84 2.77 -0.38 -0.03 0.08 0.72 -1.26 117.98 120.71 3eey s PHE 97 Ca 0.03 -0.72 0.01 0.00 0.12 0.00 0.00 56.93 56.37 3eey s PHE 97 Cb -0.14 -1.82 0.12 0.00 -0.57 0.00 0.00 43.02 40.61 3eey s PHE 97 CO 0.02 -0.25 0.16 1.21 -0.10 0.00 0.00 175.22 176.27 3eey s ASN 98 N 0.36 3.97 -0.11 1.36 3.84 -1.26 -0.97 114.94 122.12 3eey s ASN 98 Ca -0.12 -2.24 -0.24 0.00 0.21 0.00 0.00 52.86 50.47 3eey s ASN 98 Cb -0.16 -1.09 -0.03 0.00 -0.55 0.00 0.00 41.25 39.42 3eey s ASN 98 CO 0.06 -0.33 0.77 -0.76 -2.79 0.00 0.00 177.10 174.05 3eey s LEU 99 N 0.84 4.25 0.00 3.21 1.43 -0.34 -4.88 118.68 123.19 3eey s LEU 99 Ca 0.14 1.19 0.00 0.00 -1.03 0.00 0.00 54.13 54.43 3eey s LEU 99 Cb -0.21 -3.17 0.00 0.00 0.03 0.00 0.00 46.19 42.84 3eey s LEU 99 CO -0.10 -0.25 0.00 0.61 0.23 0.00 0.00 176.35 176.84 3eey n GLY 100 N 3.29 0.25 3.82 -3.19 0.00 -1.26 -3.07 105.19 105.03 3eey n GLY 100 Ca 0.02 -1.22 -0.23 0.00 0.00 0.00 0.00 46.02 44.59 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 -4.00 3.12 0.05 1.61 1.13 -1.26 -2.09 117.35 115.91 3eey s TYR 101 Ca 0.00 -0.09 -0.30 0.00 -1.41 0.00 0.00 57.07 55.27 3eey s TYR 101 Cb 0.00 -1.43 -0.08 0.00 -1.10 0.00 0.00 41.96 39.35 3eey s TYR 101 CO 0.00 0.52 1.67 -1.17 -2.51 0.00 0.00 175.55 174.06 3eey s LEU 102 N -3.64 4.36 0.18 -3.49 2.96 -1.26 -4.96 118.68 112.83 3eey s LEU 102 Ca 0.32 2.46 -0.33 0.00 -0.22 0.00 0.00 54.13 56.36 3eey s LEU 102 Cb -0.08 -3.56 -0.13 0.00 0.50 0.00 0.00 46.19 42.92 3eey s LEU 102 CO 0.24 -0.90 1.69 -2.65 -1.32 0.00 0.00 176.35 173.41 3eey n PRO 103 N 5.93 2.55 -3.68 0.98 -0.02 -1.26 -2.90 135.00 136.61 3eey n PRO 103 Ca 0.16 0.92 -0.22 0.00 -2.02 0.00 0.00 63.50 62.34 3eey n PRO 103 Cb 0.41 -2.75 0.05 0.00 -0.02 0.00 0.00 33.50 31.19 3eey n PRO 103 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3eey n SER 104 N 3.97 -2.35 0.00 2.55 7.64 -1.26 -4.95 113.62 119.22 3eey n SER 104 Ca 0.17 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 59.29 3eey n SER 104 Cb 0.33 -4.32 0.00 0.00 -1.01 0.00 0.00 64.21 59.21 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 -1.54 4.67 3.62 0.23 0.00 -1.14 -5.11 105.19 105.90 3eey n GLY 105 Ca -0.22 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 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 1.43 6.70 0.43 1.61 -1.08 -1.26 -4.91 116.67 119.59 3eey s ASP 106 Ca 0.00 0.83 0.24 0.00 -0.52 0.00 0.00 52.55 53.10 3eey s ASP 106 Cb 0.00 -2.54 0.66 0.00 -1.46 0.00 0.00 42.92 39.57 3eey s ASP 106 CO 0.00 -1.13 1.71 0.45 0.52 0.00 0.00 175.17 176.73 3eey h HIS 107 N 9.07 0.00 0.00 -5.34 3.86 -1.99 -3.05 115.15 117.70 3eey h HIS 107 Ca -0.23 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.97 3eey h HIS 107 Cb 1.07 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.54 3eey h HIS 107 CO 0.91 0.16 -0.01 0.66 0.86 0.00 0.00 177.93 180.51 3eey h SER 108 N 0.00 0.00 -3.07 2.45 4.64 -1.99 -3.41 113.55 112.17 3eey h SER 108 Ca -0.00 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.61 3eey h SER 108 Cb 0.91 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.79 3eey h SER 108 CO 0.02 0.01 -0.01 -0.63 -0.87 0.00 0.00 176.83 175.35 3eey s ILE 109 N -3.30 4.95 0.31 0.95 1.01 -1.15 -5.03 121.20 118.95 3eey s ILE 109 Ca 0.06 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 59.78 3eey s ILE 109 Cb 0.06 -4.37 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 3eey s ILE 109 CO 0.65 -0.94 0.19 -0.94 0.00 0.00 0.00 174.94 173.90 3eey s SER 110 N 3.26 1.58 0.45 3.58 1.04 -1.26 -4.06 113.70 118.29 3eey s SER 110 Ca 0.10 -1.61 -0.24 0.00 0.48 0.00 0.00 55.95 54.68 3eey s SER 110 Cb -0.24 0.45 -0.08 0.00 0.10 0.00 0.00 66.02 66.26 3eey s SER 110 CO 0.07 -0.94 1.20 0.42 0.98 0.00 0.00 173.24 174.97 3eey s THR 111 N -3.57 2.96 0.04 2.02 -4.23 -0.89 -4.98 115.64 106.98 3eey s THR 111 Ca 0.36 0.75 0.06 0.00 -1.18 0.00 0.00 61.69 61.68 3eey s THR 111 Cb 0.04 -3.40 -0.03 0.00 1.34 0.00 0.00 72.50 70.45 3eey s THR 111 CO 0.20 0.02 -0.15 -0.13 -0.54 0.00 0.00 174.62 174.02 3eey s ARG 112 N -2.57 2.20 0.22 3.99 0.52 -1.26 -4.82 118.95 117.22 3eey s ARG 112 Ca 0.62 -0.92 -0.08 0.00 -0.52 0.00 0.00 55.73 54.83 3eey s ARG 112 Cb -0.31 -2.27 0.27 0.00 0.52 0.00 0.00 34.95 33.15 3eey s ARG 112 CO 0.39 0.55 1.83 -1.35 0.02 0.00 0.00 175.30 176.74 3eey h PRO 113 N 4.48 0.82 -0.35 3.54 0.11 -1.92 -1.26 132.00 137.41 3eey h PRO 113 Ca -0.48 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 3eey h PRO 113 Cb 1.16 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3eey h PRO 113 CO 0.49 0.54 0.15 1.49 -0.21 0.00 0.00 178.00 180.47 3eey h GLU 114 N 0.84 0.52 -0.08 1.05 4.81 -1.98 -1.28 114.58 118.47 3eey h GLU 114 Ca 0.33 -0.09 -0.18 0.00 -0.13 0.00 0.00 59.36 59.29 3eey h GLU 114 Cb 0.15 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3eey h GLU 114 CO -0.16 0.50 -0.71 1.79 -0.73 0.00 0.00 179.01 179.69 3eey h THR 115 N 0.43 1.39 -0.25 0.32 1.35 -1.96 -2.39 112.91 111.79 3eey h THR 115 Ca 0.12 -2.13 -0.02 0.00 -0.55 0.00 0.00 66.41 63.84 3eey h THR 115 Cb 0.16 2.10 -0.01 0.00 -1.73 0.00 0.00 68.15 68.67 3eey h THR 115 CO -0.01 0.64 0.10 0.74 -0.25 0.00 0.00 175.52 176.73 3eey h THR 116 N 0.25 1.18 -0.63 6.82 2.02 -1.13 -0.12 112.91 121.30 3eey h THR 116 Ca -0.03 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 3eey h THR 116 Cb 1.27 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.71 3eey h THR 116 CO 0.12 0.18 0.34 0.40 0.37 0.00 0.00 175.52 176.93 3eey h ILE 117 N 0.26 1.20 0.13 3.11 2.04 -1.23 0.12 117.51 123.13 3eey h ILE 117 Ca 0.08 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.45 3eey h ILE 117 Cb 0.19 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 3eey h ILE 117 CO -0.01 0.22 -0.25 1.56 0.00 0.00 0.00 178.15 179.68 3eey h GLN 118 N 0.86 -0.44 -0.98 2.37 4.20 -1.35 -1.45 115.11 118.32 3eey h GLN 118 Ca 0.22 0.03 0.08 0.00 0.06 0.00 0.00 58.65 59.05 3eey h GLN 118 Cb 0.05 0.10 -0.07 0.00 0.30 0.00 0.00 27.48 27.86 3eey h GLN 118 CO -0.04 -0.29 0.63 0.00 -0.67 0.00 0.00 178.83 178.46 3eey h ALA 119 N 0.29 1.48 -0.61 3.87 0.00 -0.65 -1.31 119.26 122.33 3eey h ALA 119 Ca 0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3eey h ALA 119 Cb 0.48 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3eey h ALA 119 CO -0.14 0.34 0.03 -0.07 0.00 0.00 0.00 179.25 179.42 3eey h LEU 120 N 1.08 1.00 -0.77 0.00 3.38 -0.57 0.17 115.31 119.60 3eey h LEU 120 Ca 0.44 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3eey h LEU 120 Cb 0.29 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3eey h LEU 120 CO -0.19 1.04 0.36 0.28 0.09 0.00 0.00 178.44 180.01 3eey h SER 121 N 0.96 1.01 -0.23 -0.43 0.02 -0.67 -0.42 113.55 113.79 3eey h SER 121 Ca 0.18 -0.14 -0.08 0.00 -0.84 0.00 0.00 61.79 60.90 3eey h SER 121 Cb 0.51 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 3eey h SER 121 CO 0.02 0.87 -0.18 0.11 -1.14 0.00 0.00 176.83 176.51 3eey h LYS 122 N 1.08 0.52 -0.68 3.45 1.79 -0.98 -1.78 116.57 119.97 3eey h LYS 122 Ca 0.26 -0.26 0.02 0.00 -2.18 0.00 0.00 60.65 58.49 3eey h LYS 122 Cb 0.14 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.75 3eey h LYS 122 CO -0.03 0.83 0.44 0.00 -1.08 0.00 0.00 179.45 179.61 3eey h ALA 123 N 0.68 0.88 -0.59 3.86 0.00 -0.62 -0.46 119.26 123.00 3eey h ALA 123 Ca 0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3eey h ALA 123 Cb 0.72 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3eey h ALA 123 CO 0.05 0.23 0.26 0.52 0.00 0.00 0.00 179.25 180.31 3eey h MET 124 N 0.87 0.85 -0.38 0.00 2.86 -1.03 -1.54 114.93 116.55 3eey h MET 124 Ca 0.26 -0.12 -0.11 0.00 -2.06 0.00 0.00 59.70 57.68 3eey h MET 124 Cb -0.03 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 3eey h MET 124 CO -0.09 0.67 -0.18 0.93 1.06 0.00 0.00 176.91 179.31 3eey h GLU 125 N 0.84 0.80 0.00 1.72 5.08 -0.91 -3.27 114.58 118.84 3eey h GLU 125 Ca 0.20 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 3eey h GLU 125 Cb 0.13 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 3eey h GLU 125 CO -0.02 0.98 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.81 3eey h LEU 126 N 0.60 0.00 -9.81 1.33 3.38 -0.82 -3.46 115.31 106.54 3eey h LEU 126 Ca 0.09 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.53 3eey h LEU 126 Cb 0.73 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.56 3eey h LEU 126 CO 0.06 0.08 0.78 -0.76 0.09 0.00 0.00 178.44 178.68 3eey s LEU 127 N -6.36 4.37 0.50 1.67 1.43 -0.61 -0.62 118.68 119.08 3eey s LEU 127 Ca 0.02 2.81 -0.19 0.00 -1.03 0.00 0.00 54.13 55.73 3eey s LEU 127 Cb 0.08 -3.64 -0.08 0.00 0.03 0.00 0.00 46.19 42.59 3eey s LEU 127 CO 0.60 -0.76 1.04 0.54 0.23 0.00 0.00 176.35 178.00 3eey s VAL 128 N -0.34 3.81 0.18 -1.59 0.11 -0.01 -4.76 120.40 117.80 3eey s VAL 128 Ca 0.58 1.07 -0.33 0.00 -2.93 0.00 0.00 61.98 60.37 3eey s VAL 128 Cb -0.44 -3.45 -0.13 0.00 -1.53 0.00 0.00 36.38 30.84 3eey s VAL 128 CO 0.49 -0.30 1.66 0.35 -3.33 0.00 0.00 175.10 173.97 3eey n THR 129 N -1.16 0.01 -0.68 5.04 -2.24 -1.26 -0.56 114.28 113.44 3eey n THR 129 Ca 0.09 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 3eey n THR 129 Cb 0.53 -1.77 0.00 0.00 -2.10 0.00 0.00 70.33 66.99 3eey n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3eey n GLY 130 N 3.71 0.65 3.95 3.38 0.00 0.34 -5.02 105.19 112.19 3eey n GLY 130 Ca 0.17 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 3eey n GLY 130 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3eey s GLY 131 N -2.13 1.63 -0.02 -0.02 0.00 0.28 -4.93 107.32 102.13 3eey s GLY 131 Ca 0.00 -1.05 0.03 0.00 0.00 0.00 0.00 44.72 43.70 3eey s GLY 131 CO 0.00 -0.83 -0.10 -1.50 0.00 0.00 0.00 173.10 170.67 3eey s ILE 132 N -2.69 0.87 -0.17 0.90 2.07 -0.21 -2.62 121.20 119.35 3eey s ILE 132 Ca 0.51 -0.44 -0.03 0.00 -1.41 0.00 0.00 60.65 59.28 3eey s ILE 132 Cb -0.10 -0.75 -0.02 0.00 0.13 0.00 0.00 42.46 41.72 3eey s ILE 132 CO 0.39 0.26 -0.05 -0.63 -1.91 0.00 0.00 174.94 173.01 3eey s ILE 133 N -0.02 3.67 -0.13 2.00 1.01 0.13 -1.43 121.20 126.42 3eey s ILE 133 Ca 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 60.65 60.20 3eey s ILE 133 Cb -0.07 -2.62 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 3eey s ILE 133 CO 0.00 0.47 -0.02 0.42 0.00 0.00 0.00 174.94 175.81 3eey s THR 134 N 0.70 4.07 -0.24 2.92 -4.23 -0.71 -0.32 115.64 117.82 3eey s THR 134 Ca -0.02 -0.31 0.01 0.00 -1.18 0.00 0.00 61.69 60.19 3eey s THR 134 Cb -0.15 -2.76 0.06 0.00 1.34 0.00 0.00 72.50 71.00 3eey s THR 134 CO 0.02 0.53 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.88 3eey s VAL 135 N -0.07 1.60 -0.26 2.29 1.01 -0.09 -0.20 120.40 124.67 3eey s VAL 135 Ca 0.03 -1.27 -0.17 0.00 0.00 0.00 0.00 61.98 60.57 3eey s VAL 135 Cb -0.13 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 3eey s VAL 135 CO 0.02 -0.09 0.48 -0.69 0.00 0.00 0.00 175.10 174.81 3eey s VAL 136 N 1.36 5.10 -0.26 2.92 1.01 -0.15 -0.74 120.40 129.65 3eey s VAL 136 Ca -0.06 0.80 -0.09 0.00 0.00 0.00 0.00 61.98 62.63 3eey s VAL 136 Cb -0.19 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 3eey s VAL 136 CO -0.06 0.11 0.11 -0.63 0.00 0.00 0.00 175.10 174.63 3eey s ILE 137 N 2.22 4.70 -0.11 2.22 1.01 0.40 -1.19 121.20 130.45 3eey s ILE 137 Ca 0.20 -0.04 -0.03 0.00 0.00 0.00 0.00 60.65 60.77 3eey s ILE 137 Cb -0.16 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 3eey s ILE 137 CO 0.09 0.32 0.01 -0.31 0.00 0.00 0.00 174.94 175.05 3eey s TYR 138 N 1.58 3.18 0.00 3.97 2.02 -1.17 -1.98 117.35 124.94 3eey s TYR 138 Ca 0.06 0.13 0.07 0.00 -0.37 0.00 0.00 57.07 56.97 3eey s TYR 138 Cb -0.15 -1.86 0.12 0.00 -0.40 0.00 0.00 41.96 39.67 3eey s TYR 138 CO 0.06 0.38 0.95 2.48 -1.57 0.00 0.00 175.55 177.85 3eey n TYR 139 N 2.49 0.00 0.25 2.71 4.11 -1.26 -4.51 117.16 120.95 3eey n TYR 139 Ca -0.18 -0.22 0.15 0.00 -0.00 0.00 0.00 57.90 57.65 3eey n TYR 139 Cb 0.53 0.07 0.48 0.00 -0.00 0.00 0.00 39.34 40.42 3eey n TYR 139 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.86 177.64 3eey h GLY 140 N 0.28 0.00 -0.57 -7.48 0.00 -1.88 -3.27 103.07 90.15 3eey h GLY 140 Ca -0.15 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.64 3eey h GLY 140 CO -0.02 0.00 -0.30 0.61 0.00 0.00 0.00 176.54 176.84 3eey n GLY 141 N 0.44 3.04 0.30 4.60 0.00 -1.26 -4.96 105.19 107.36 3eey n GLY 141 Ca 0.02 -2.31 -0.05 0.00 0.00 0.00 0.00 46.02 43.69 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 0.73 0.90 0.41 1.61 -0.00 -1.99 -0.68 116.42 117.42 3eey h ASP 142 Ca -0.33 -0.05 -0.25 0.00 -0.00 0.00 0.00 57.03 56.41 3eey h ASP 142 Cb 1.13 -0.23 0.01 0.00 -0.00 0.00 0.00 39.33 40.23 3eey h ASP 142 CO 0.52 0.68 -1.07 0.74 -0.00 0.00 0.00 179.24 180.12 3eey h THR 143 N 1.05 1.42 -0.29 1.15 2.02 -1.96 -2.24 112.91 114.05 3eey h THR 143 Ca 0.28 -2.65 -0.16 0.00 0.77 0.00 0.00 66.41 64.66 3eey h THR 143 Cb -0.07 2.62 -0.00 0.00 -1.74 0.00 0.00 68.15 68.95 3eey h THR 143 CO -0.06 0.78 -0.42 1.23 0.37 0.00 0.00 175.52 177.42 3eey h GLY 144 N 1.26 0.88 1.03 2.16 0.00 -1.78 -2.71 103.07 103.91 3eey h GLY 144 Ca -0.11 -0.97 -0.04 0.00 0.00 0.00 0.00 47.33 46.21 3eey h GLY 144 CO 0.18 0.87 0.31 -2.75 0.00 0.00 0.00 176.54 175.16 3eey h PHE 145 N 0.56 1.12 -0.05 5.60 3.57 -1.13 -1.78 116.94 124.83 3eey h PHE 145 Ca 0.03 -0.08 -0.12 0.00 3.53 0.00 0.00 57.97 61.33 3eey h PHE 145 Cb 1.02 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 3eey h PHE 145 CO 0.07 0.85 -0.51 0.93 -2.23 0.00 0.00 178.31 177.42 3eey h GLU 146 N 1.06 0.13 -0.07 1.11 4.39 -1.39 -3.17 114.58 116.64 3eey h GLU 146 Ca 0.25 -0.07 -0.16 0.00 0.34 0.00 0.00 59.36 59.71 3eey h GLU 146 Cb 0.19 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.86 3eey h GLU 146 CO -0.02 0.61 -0.60 1.49 -1.16 0.00 0.00 179.01 179.33 3eey h GLU 147 N 0.10 0.52 -0.53 2.33 4.81 -1.29 -3.21 114.58 117.31 3eey h GLU 147 Ca 0.00 -0.47 0.11 0.00 -0.13 0.00 0.00 59.36 58.86 3eey h GLU 147 Cb 0.94 0.11 -0.09 0.00 0.63 0.00 0.00 28.75 30.35 3eey h GLU 147 CO 0.07 1.11 -0.03 -0.22 -0.73 0.00 0.00 179.01 179.21 3eey h LYS 148 N 0.10 0.08 -0.23 1.92 3.64 -1.32 -0.32 116.57 120.43 3eey h LYS 148 Ca -0.06 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3eey h LYS 148 Cb 1.27 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 3eey h LYS 148 CO 0.12 0.05 0.14 0.93 -2.27 0.00 0.00 179.45 178.42 3eey h GLU 149 N 0.08 0.28 -0.11 1.90 4.39 -1.62 -1.62 114.58 117.88 3eey h GLU 149 Ca 0.27 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.83 3eey h GLU 149 Cb 0.41 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3eey h GLU 149 CO -0.47 0.18 -0.38 0.87 -1.16 0.00 0.00 179.01 178.05 3eey h LYS 150 N 0.28 0.46 -0.23 2.33 1.79 -1.51 -1.67 116.57 118.03 3eey h LYS 150 Ca 0.09 -0.34 0.02 0.00 -2.18 0.00 0.00 60.65 58.24 3eey h LYS 150 Cb -0.01 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 3eey h LYS 150 CO -0.04 0.97 0.07 0.28 -1.08 0.00 0.00 179.45 179.65 3eey h VAL 151 N 0.04 0.94 -0.71 0.50 2.07 -1.04 0.46 116.25 118.51 3eey h VAL 151 Ca -0.02 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 3eey h VAL 151 Cb 1.01 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 3eey h VAL 151 CO 0.08 0.03 0.23 -0.07 0.02 0.00 0.00 177.57 177.86 3eey h LEU 152 N 0.18 1.02 -0.42 2.57 3.38 -1.36 -0.12 115.31 120.55 3eey h LEU 152 Ca 0.10 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3eey h LEU 152 Cb 0.07 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3eey h LEU 152 CO -0.11 0.94 0.25 -0.08 0.09 0.00 0.00 178.44 179.54 3eey h GLU 153 N 1.05 0.57 0.09 1.13 4.81 -0.95 -1.99 114.58 119.29 3eey h GLU 153 Ca 0.23 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3eey h GLU 153 Cb 0.28 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3eey h GLU 153 CO -0.01 0.42 -0.13 0.35 -0.73 0.00 0.00 179.01 178.91 3eey h PHE 154 N 0.55 -0.35 0.00 0.92 3.57 -0.70 -3.20 116.94 117.74 3eey h PHE 154 Ca 0.15 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 3eey h PHE 154 Cb 0.00 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 3eey h PHE 154 CO -0.03 -0.20 -0.14 -0.07 -2.23 0.00 0.00 178.31 175.63 3eey h LEU 155 N -0.27 0.00 -2.08 0.59 3.38 -0.93 -1.92 115.31 114.08 3eey h LEU 155 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3eey h LEU 155 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3eey h LEU 155 CO -0.06 0.14 -0.06 0.11 0.09 0.00 0.00 178.44 178.65 3eey h LYS 156 N 0.00 0.00 -0.00 1.13 1.57 -1.35 -2.89 116.57 115.03 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 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3eey h LYS 156 CO 0.02 0.06 -0.31 0.41 -0.57 0.00 0.00 179.45 179.06 3eey n GLY 157 N -1.17 -0.98 3.74 3.86 0.00 -0.72 -4.93 105.19 104.99 3eey n GLY 157 Ca -0.03 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.73 2.38 -0.02 1.61 1.01 -1.09 -4.89 120.40 116.66 3eey s VAL 158 Ca 0.19 0.31 -0.30 0.00 0.00 0.00 0.00 61.98 62.18 3eey s VAL 158 Cb 0.19 -3.20 -0.09 0.00 0.00 0.00 0.00 36.38 33.28 3eey s VAL 158 CO 0.59 0.05 2.01 -0.67 0.00 0.00 0.00 175.10 177.08 3eey n ASP 159 N 2.53 3.95 0.26 3.32 2.03 -1.26 -4.88 116.55 122.50 3eey n ASP 159 Ca 0.09 0.78 0.14 0.00 0.52 0.00 0.00 54.79 56.32 3eey n ASP 159 Cb 0.39 -1.52 0.66 0.00 -0.72 0.00 0.00 41.12 39.93 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 11.27 0.00 0.00 -0.67 3.07 -1.91 0.13 115.11 127.00 3eey h GLN 160 Ca -0.48 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.21 3eey h GLN 160 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.80 3eey h GLN 160 CO 0.95 0.10 -0.21 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 -2.01 -3.33 116.57 113.08 3eey h LYS 161 Ca -0.00 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.23 3eey h LYS 161 Cb 0.52 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.12 3eey h LYS 161 CO 0.01 0.21 -1.91 1.63 -1.08 0.00 0.00 179.45 178.31 3eey n LYS 162 N -3.41 1.17 -4.21 3.15 4.76 -0.79 -4.28 118.16 114.54 3eey n LYS 162 Ca -0.00 0.04 -0.16 0.00 -2.87 0.00 0.00 58.31 55.32 3eey n LYS 162 Cb 0.40 -1.33 -0.13 0.00 -1.84 0.00 0.00 35.03 32.13 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 -2.32 0.75 -0.29 2.13 0.08 0.37 -0.47 117.98 118.24 3eey s PHE 163 Ca -0.14 -0.27 -0.15 0.00 0.12 0.00 0.00 56.93 56.48 3eey s PHE 163 Cb 0.05 -0.46 -0.03 0.00 -0.57 0.00 0.00 43.02 42.01 3eey s PHE 163 CO 0.46 -0.02 0.39 0.42 -0.10 0.00 0.00 175.22 176.36 3eey s ILE 164 N -0.66 5.16 -0.33 0.64 1.01 0.26 -4.10 121.20 123.19 3eey s ILE 164 Ca -0.01 0.49 -0.04 0.00 0.00 0.00 0.00 60.65 61.09 3eey s ILE 164 Cb -0.06 -3.74 0.05 0.00 0.01 0.00 0.00 42.46 38.72 3eey s ILE 164 CO 0.00 0.09 0.06 -0.69 0.00 0.00 0.00 174.94 174.41 3eey s VAL 165 N 2.09 3.40 -0.16 2.92 1.01 -1.26 -1.35 120.40 127.06 3eey s VAL 165 Ca 0.15 -1.29 -0.02 0.00 0.00 0.00 0.00 61.98 60.81 3eey s VAL 165 Cb -0.16 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 3eey s VAL 165 CO 0.10 -0.17 -0.07 -1.58 0.00 0.00 0.00 175.10 173.38 3eey s GLN 166 N 1.32 3.51 -0.13 2.72 0.74 0.19 -4.94 119.66 123.07 3eey s GLN 166 Ca -0.03 -0.60 -0.04 0.00 0.05 0.00 0.00 55.36 54.74 3eey s GLN 166 Cb -0.20 -2.82 -0.03 0.00 1.10 0.00 0.00 33.01 31.06 3eey s GLN 166 CO 0.01 0.15 -0.00 0.50 -0.55 0.00 0.00 175.29 175.40 3eey s ARG 167 N 0.55 3.45 -0.10 1.67 3.52 -1.26 -0.31 118.95 126.47 3eey s ARG 167 Ca -0.05 -0.44 0.03 0.00 -0.13 0.00 0.00 55.73 55.15 3eey s ARG 167 Cb -0.15 -2.92 -0.00 0.00 -1.56 0.00 0.00 34.95 30.31 3eey s ARG 167 CO 0.03 0.44 -0.22 0.99 -0.81 0.00 0.00 175.30 175.73 3eey s THR 168 N -0.16 2.28 -0.09 4.11 2.01 0.60 -5.00 115.64 119.40 3eey s THR 168 Ca 0.05 -0.95 -0.06 0.00 0.31 0.00 0.00 61.69 61.04 3eey s THR 168 Cb -0.13 -1.89 0.04 0.00 0.01 0.00 0.00 72.50 70.53 3eey s THR 168 CO 0.02 0.55 0.22 -0.62 -0.69 0.00 0.00 174.62 174.11 3eey s ASP 169 N 0.26 -0.23 -0.67 3.53 2.15 -1.26 -2.09 116.67 118.36 3eey s ASP 169 Ca -0.15 0.46 -0.17 0.00 0.43 0.00 0.00 52.55 53.13 3eey s ASP 169 Cb -0.17 0.38 0.15 0.00 -0.30 0.00 0.00 42.92 42.98 3eey s ASP 169 CO 0.08 -0.13 0.69 -0.36 -0.17 0.00 0.00 175.17 175.27 3eey s PHE 170 N 0.89 3.31 -1.38 -5.34 0.08 -1.26 -4.94 117.98 109.34 3eey s PHE 170 Ca -0.06 -1.41 0.29 0.00 0.12 0.00 0.00 56.93 55.87 3eey s PHE 170 Cb -0.08 -3.91 1.28 0.00 -0.57 0.00 0.00 43.02 39.74 3eey s PHE 170 CO -0.05 -1.13 1.91 0.44 -0.10 0.00 0.00 175.22 176.28 3eey n ILE 171 N 4.99 0.00 0.17 0.64 -5.35 -1.26 -3.19 119.36 115.36 3eey n ILE 171 Ca -0.01 -0.02 0.06 0.00 -0.27 0.00 0.00 62.75 62.51 3eey n ILE 171 Cb 0.44 -0.29 0.11 0.00 -1.74 0.00 0.00 39.64 38.15 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 -1.23 2.55 -4.85 7.28 6.94 -1.26 -4.96 115.26 119.72 3eey n ASN 172 Ca 0.12 -1.76 -0.38 0.00 -0.02 0.00 0.00 54.58 52.55 3eey n ASN 172 Cb 0.28 -0.13 -0.06 0.00 -2.36 0.00 0.00 39.78 37.51 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 -1.03 3.72 0.60 -3.83 -0.21 -1.19 -5.11 119.66 112.62 3eey s GLN 173 Ca 0.20 0.19 -0.01 0.00 0.02 0.00 0.00 55.36 55.77 3eey s GLN 173 Cb 0.12 -3.21 0.12 0.00 1.00 0.00 0.00 33.01 31.04 3eey s GLN 173 CO 0.17 0.73 0.83 0.00 -2.12 0.00 0.00 175.29 174.89 3eey n ALA 174 N 1.89 0.08 -3.67 6.09 0.00 -1.26 -4.65 120.51 118.98 3eey n ALA 174 Ca -0.16 -1.58 -0.22 0.00 0.00 0.00 0.00 53.44 51.48 3eey n ALA 174 Cb 0.53 0.24 0.05 0.00 0.00 0.00 0.00 19.45 20.27 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 -2.97 -2.42 -3.43 0.00 5.15 -1.26 -4.03 115.26 106.31 3eey n ASN 175 Ca 0.13 -0.75 -0.17 0.00 -0.60 0.00 0.00 54.58 53.20 3eey n ASN 175 Cb 0.48 -4.34 0.03 0.00 -0.53 0.00 0.00 39.78 35.42 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 -4.55 4.25 0.47 0.00 0.04 -1.26 -4.74 135.00 129.21 3eey s PRO 177 Ca 0.23 2.33 -0.24 0.00 0.04 0.00 0.00 61.00 63.36 3eey s PRO 177 Cb -0.07 -3.12 -0.08 0.00 0.04 0.00 0.00 34.50 31.28 3eey s PRO 177 CO 0.81 -0.47 1.22 -2.30 0.04 0.00 0.00 177.00 176.29 3eey n PRO 178 N 2.70 1.67 -4.28 0.56 -0.02 -1.26 -4.88 135.00 129.49 3eey n PRO 178 Ca 0.08 0.60 -0.35 0.00 -2.02 0.00 0.00 63.50 61.82 3eey n PRO 178 Cb 0.40 -2.35 -0.09 0.00 -0.02 0.00 0.00 33.50 31.43 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 -1.27 4.52 -0.20 4.25 1.01 -0.84 -4.47 121.20 124.21 3eey s ILE 179 Ca 0.65 -0.17 -0.06 0.00 0.00 0.00 0.00 60.65 61.08 3eey s ILE 179 Cb -0.48 -2.92 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 3eey s ILE 179 CO 0.55 0.60 0.02 -0.22 0.00 0.00 0.00 174.94 175.89 3eey s LEU 180 N -0.87 3.42 -0.09 2.97 2.96 -0.89 -0.45 118.68 125.73 3eey s LEU 180 Ca 0.13 -0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 53.91 3eey s LEU 180 Cb -0.11 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 3eey s LEU 180 CO 0.03 0.09 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.42 3eey s VAL 181 N 0.85 4.00 -0.14 1.68 1.01 0.08 -0.29 120.40 127.58 3eey s VAL 181 Ca 0.02 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.65 3eey s VAL 181 Cb -0.14 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.58 3eey s VAL 181 CO 0.02 0.58 -0.16 0.00 0.00 0.00 0.00 175.10 175.54 3eey s ILE 183 N 1.27 3.16 -0.13 0.00 1.01 0.56 -0.64 121.20 126.43 3eey s ILE 183 Ca 0.01 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.12 3eey s ILE 183 Cb -0.14 -2.42 0.01 0.00 0.01 0.00 0.00 42.46 39.92 3eey s ILE 183 CO -0.08 0.45 -0.21 -0.70 0.00 0.00 0.00 174.94 174.39 3eey s GLU 184 N 1.40 3.06 -0.03 2.79 2.12 -0.46 0.20 118.70 127.79 3eey s GLU 184 Ca 0.05 -0.84 -0.30 0.00 0.36 0.00 0.00 54.97 54.24 3eey s GLU 184 Cb -0.14 -2.44 -0.04 0.00 0.26 0.00 0.00 34.13 31.77 3eey s GLU 184 CO -0.04 0.03 1.22 0.21 -0.54 0.00 0.00 175.26 176.14 3eey s LYS 185 N 0.72 4.36 -0.00 4.30 2.20 -1.08 -0.58 119.74 129.67 3eey s LYS 185 Ca -0.09 1.73 0.04 0.00 -0.36 0.00 0.00 55.97 57.29 3eey s LYS 185 Cb -0.16 -3.52 -0.06 0.00 -1.51 0.00 0.00 37.83 32.58 3eey s LYS 185 CO 0.00 -0.42 0.14 0.44 -0.36 0.00 0.00 175.35 175.15 3eey n ILE 186 N 4.48 0.00 -3.78 5.43 -5.35 0.38 -0.50 119.36 120.02 3eey n ILE 186 Ca 0.11 -0.24 -0.10 0.00 -0.27 0.00 0.00 62.75 62.25 3eey n ILE 186 Cb 0.46 0.67 -0.07 0.00 -1.74 0.00 0.00 39.64 38.96 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 -2.01 -0.04 -0.02 7.28 0.01 -1.13 -4.89 113.70 112.90 3eey s SER 187 Ca -0.00 -0.39 -0.19 0.00 1.31 0.00 0.00 55.95 56.68 3eey s SER 187 Cb 0.03 0.37 -0.05 0.00 0.21 0.00 0.00 66.02 66.57 3eey s SER 187 CO 0.18 -0.69 0.54 -1.61 0.41 0.00 0.00 173.24 172.07 3eey s GLU 188 N -3.23 4.25 0.00 12.44 0.41 -1.26 -4.78 118.70 126.52 3eey s GLU 188 Ca -0.00 0.63 0.00 0.00 -0.41 0.00 0.00 54.97 55.19 3eey s GLU 188 Cb 0.02 -3.33 0.00 0.00 -1.78 0.00 0.00 34.13 29.04 3eey s GLU 188 CO -0.08 0.41 0.00 0.41 -0.49 0.00 0.00 175.26 175.51