#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3eey n LEU 1 N 0.00 4.46 -4.76 1.04 7.94 -1.26 -4.93 117.00 119.50 3eey n LEU 1 Ca 0.00 -2.32 -0.40 0.00 -1.11 0.00 0.00 56.01 52.19 3eey n LEU 1 Cb 0.00 -0.65 -0.05 0.00 0.53 0.00 0.00 43.42 43.25 3eey n LEU 1 CO 0.00 0.66 0.71 -0.89 -1.11 0.00 0.00 177.39 176.77 3eey s THR 2 N -1.84 3.82 0.06 1.96 2.01 -1.26 -5.01 115.64 115.38 3eey s THR 2 Ca 0.30 1.76 -0.31 0.00 0.31 0.00 0.00 61.69 63.76 3eey s THR 2 Cb 0.25 -4.09 -0.08 0.00 0.01 0.00 0.00 72.50 68.58 3eey s THR 2 CO 0.07 0.37 1.58 -0.63 -0.69 0.00 0.00 174.62 175.32 3eey s ILE 3 N -1.26 3.18 0.51 1.82 1.01 -1.26 -5.00 121.20 120.21 3eey s ILE 3 Ca 0.45 0.64 -0.17 0.00 0.00 0.00 0.00 60.65 61.57 3eey s ILE 3 Cb -0.27 -3.41 -0.08 0.00 0.01 0.00 0.00 42.46 38.71 3eey s ILE 3 CO 0.34 0.00 0.99 -0.54 0.00 0.00 0.00 174.94 175.73 3eey s LYS 4 N 2.48 3.94 1.23 2.79 1.02 -1.26 -5.08 119.74 124.86 3eey s LYS 4 Ca 0.71 0.97 -0.18 0.00 0.02 0.00 0.00 55.97 57.49 3eey s LYS 4 Cb -0.38 -2.13 0.30 0.00 -0.52 0.00 0.00 37.83 35.09 3eey s LYS 4 CO 0.31 -0.28 1.04 0.54 -0.92 0.00 0.00 175.35 176.03 3eey s ASN 5 N -3.03 0.60 0.23 2.83 2.20 -1.26 -4.64 114.94 111.87 3eey s ASN 5 Ca 0.59 0.96 -0.07 0.00 -0.94 0.00 0.00 52.86 53.40 3eey s ASN 5 Cb -0.10 -1.43 0.26 0.00 -2.00 0.00 0.00 41.25 37.98 3eey s ASN 5 CO 0.31 -4.36 1.89 0.28 -2.94 0.00 0.00 177.10 172.28 3eey h SER 6 N -2.73 0.95 -0.27 3.54 0.02 -1.95 0.37 113.55 113.49 3eey h SER 6 Ca -0.50 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.46 3eey h SER 6 Cb 1.32 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.62 3eey h SER 6 CO 0.40 0.66 0.12 0.25 -1.14 0.00 0.00 176.83 177.13 3eey h LEU 7 N 1.12 0.18 -0.75 5.07 5.85 -1.92 -1.51 115.31 123.34 3eey h LEU 7 Ca 0.34 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 59.00 3eey h LEU 7 Cb -0.02 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3eey h LEU 7 CO -0.11 0.14 0.07 1.23 -0.34 0.00 0.00 178.44 179.43 3eey h GLY 8 N 0.27 1.10 1.52 3.75 0.00 -1.80 -3.14 103.07 104.78 3eey h GLY 8 Ca 0.11 -0.74 -0.11 0.00 0.00 0.00 0.00 47.33 46.59 3eey h GLY 8 CO -0.08 0.69 -0.29 1.46 0.00 0.00 0.00 176.54 178.31 3eey h GLN 9 N 0.96 0.54 -0.68 4.80 4.20 -0.73 -2.94 115.11 121.26 3eey h GLN 9 Ca 0.19 -0.23 0.03 0.00 0.06 0.00 0.00 58.65 58.70 3eey h GLN 9 Cb 0.45 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.17 3eey h GLN 9 CO 0.02 0.78 0.43 0.66 -0.67 0.00 0.00 178.83 180.04 3eey h SER 10 N 0.47 0.69 -0.56 1.46 4.64 -1.23 -0.08 113.55 118.95 3eey h SER 10 Ca 0.06 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.39 3eey h SER 10 Cb 0.74 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.66 3eey h SER 10 CO 0.06 0.48 0.36 0.45 -0.87 0.00 0.00 176.83 177.31 3eey h HIS 11 N 0.83 0.68 -0.55 4.77 3.86 -1.57 -1.36 115.15 121.81 3eey h HIS 11 Ca 0.28 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 3eey h HIS 11 Cb 0.03 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.25 3eey h HIS 11 CO -0.05 0.42 0.36 -0.44 0.86 0.00 0.00 177.93 179.08 3eey h ASP 12 N 0.73 0.63 -0.56 2.45 3.32 -1.23 -0.24 116.42 121.52 3eey h ASP 12 Ca 0.21 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 3eey h ASP 12 Cb -0.06 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 3eey h ASP 12 CO -0.06 0.47 0.18 1.88 -1.72 0.00 0.00 179.24 179.99 3eey h TYR 13 N 0.74 0.93 -0.15 4.55 -1.99 -0.88 -2.61 116.97 117.56 3eey h TYR 13 Ca 0.20 -0.08 -0.05 0.00 2.00 0.00 0.00 58.73 60.80 3eey h TYR 13 Cb -0.07 -0.28 -0.00 0.00 2.00 0.00 0.00 36.73 38.38 3eey h TYR 13 CO -0.03 0.75 -0.09 0.82 -0.00 0.00 0.00 178.16 179.60 3eey h ILE 14 N 0.88 1.32 -1.00 -2.88 1.08 -0.89 -3.02 117.51 113.00 3eey h ILE 14 Ca 0.20 -1.17 0.21 0.00 -0.39 0.00 0.00 64.86 63.70 3eey h ILE 14 Cb 0.26 1.76 -0.11 0.00 -3.07 0.00 0.00 36.82 35.67 3eey h ILE 14 CO -0.01 0.35 0.61 0.11 -0.69 0.00 0.00 178.15 178.52 3eey h LYS 15 N -0.00 0.67 -0.13 2.37 6.56 -1.02 0.85 116.57 125.86 3eey h LYS 15 Ca 0.03 -0.04 -0.06 0.00 -1.06 0.00 0.00 60.65 59.52 3eey h LYS 15 Cb 0.58 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 32.08 3eey h LYS 15 CO 0.03 0.45 -0.19 0.52 -2.06 0.00 0.00 179.45 178.19 3eey h MET 16 N 0.69 0.23 0.00 3.15 2.86 -1.38 -3.36 114.93 117.12 3eey h MET 16 Ca 0.60 -0.06 -0.34 0.00 -2.06 0.00 0.00 59.70 57.84 3eey h MET 16 Cb 1.02 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.59 3eey h MET 16 CO -0.40 0.42 -2.27 1.19 1.06 0.00 0.00 176.91 176.90 3eey n PHE 17 N -4.22 0.00 -3.08 -0.22 3.72 -0.85 -4.95 117.46 107.87 3eey n PHE 17 Ca -0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.98 3eey n PHE 17 Cb 0.31 -0.91 -0.06 0.00 -0.94 0.00 0.00 39.48 37.88 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 -2.45 4.96 0.38 -4.37 1.01 0.23 -5.01 120.40 115.16 3eey s VAL 18 Ca -0.12 1.18 0.07 0.00 0.00 0.00 0.00 61.98 63.11 3eey s VAL 18 Cb 0.06 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.47 3eey s VAL 18 CO 0.73 0.00 0.53 -0.54 0.00 0.00 0.00 175.10 175.82 3eey s LYS 19 N 2.56 2.96 0.26 2.72 -0.14 -1.26 -4.86 119.74 121.98 3eey s LYS 19 Ca 0.27 -1.13 -0.29 0.00 -1.36 0.00 0.00 55.97 53.46 3eey s LYS 19 Cb -0.15 -2.78 -0.09 0.00 -1.68 0.00 0.00 37.83 33.12 3eey s LYS 19 CO 0.09 -0.13 1.17 -1.21 -0.76 0.00 0.00 175.35 174.51 3eey s GLU 20 N -4.28 4.54 0.00 1.68 2.02 -1.25 -3.24 118.70 118.17 3eey s GLU 20 Ca 0.51 1.91 0.00 0.00 0.02 0.00 0.00 54.97 57.40 3eey s GLU 20 Cb -0.10 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 30.95 3eey s GLU 20 CO 0.32 0.03 0.00 0.41 0.02 0.00 0.00 175.26 176.05 3eey n GLY 21 N 1.46 0.76 3.82 -1.39 0.00 0.75 -4.96 105.19 105.63 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 -2.92 5.08 -0.23 1.61 1.01 -1.20 -4.48 116.67 115.54 3eey s ASP 22 Ca 0.00 1.43 -0.07 0.00 0.71 0.00 0.00 52.55 54.62 3eey s ASP 22 Cb 0.00 -2.25 -0.03 0.00 1.01 0.00 0.00 42.92 41.65 3eey s ASP 22 CO 0.00 -1.61 0.06 -0.89 0.21 0.00 0.00 175.17 172.94 3eey s THR 23 N -3.13 4.33 0.28 -1.27 2.01 -1.26 -2.00 115.64 114.60 3eey s THR 23 Ca 0.59 -0.17 0.06 0.00 0.31 0.00 0.00 61.69 62.48 3eey s THR 23 Cb -0.14 -3.00 -0.06 0.00 0.01 0.00 0.00 72.50 69.31 3eey s THR 23 CO 0.54 0.37 -0.05 0.68 -0.69 0.00 0.00 174.62 175.47 3eey s VAL 24 N 1.34 1.58 -0.07 3.82 -7.23 -0.19 -0.68 120.40 118.96 3eey s VAL 24 Ca 0.05 -2.11 0.02 0.00 -1.81 0.00 0.00 61.98 58.13 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 0.03 -0.30 -0.13 -0.69 -0.31 0.00 0.00 175.10 173.71 3eey s VAL 25 N -3.05 1.20 -0.50 1.32 1.01 0.21 -1.51 120.40 119.08 3eey s VAL 25 Ca 0.29 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.60 3eey s VAL 25 Cb 0.04 -1.10 0.08 0.00 0.00 0.00 0.00 36.38 35.40 3eey s VAL 25 CO 0.12 0.37 0.48 -0.62 0.00 0.00 0.00 175.10 175.45 3eey s ASP 26 N 0.73 6.17 0.17 3.32 -1.08 0.13 -0.96 116.67 125.15 3eey s ASP 26 Ca -0.13 -1.33 0.25 0.00 -0.52 0.00 0.00 52.55 50.82 3eey s ASP 26 Cb -0.16 -2.22 0.91 0.00 -1.46 0.00 0.00 42.92 40.00 3eey s ASP 26 CO 0.03 -0.77 1.77 0.00 0.52 0.00 0.00 175.17 176.72 3eey n ALA 27 N 5.49 2.10 -3.39 3.66 0.00 -0.61 -1.37 120.51 126.39 3eey n ALA 27 Ca -0.11 -0.01 -0.26 0.00 0.00 0.00 0.00 53.44 53.05 3eey n ALA 27 Cb 0.43 -1.43 -0.10 0.00 0.00 0.00 0.00 19.45 18.35 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 -3.13 0.16 0.08 0.00 -4.23 -1.24 -4.55 115.64 102.73 3eey s THR 28 Ca 0.09 -2.14 -0.25 0.00 -1.18 0.00 0.00 61.69 58.22 3eey s THR 28 Cb 0.13 -1.11 -0.16 0.00 1.34 0.00 0.00 72.50 72.70 3eey s THR 28 CO 0.51 -1.06 1.70 0.00 -0.54 0.00 0.00 174.62 175.23 3eey n GLY 30 N -1.11 3.78 0.05 0.00 0.00 -1.26 -1.21 105.19 105.44 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 6.01 0.44 0.00 1.61 3.02 -1.26 -4.44 115.26 120.63 3eey n ASN 31 Ca 0.00 0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.96 3eey n ASN 31 Cb 0.00 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 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 1.41 0.98 0.09 7.41 0.00 -0.35 -3.80 105.19 110.94 3eey n GLY 32 Ca 0.06 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 3eey n GLY 32 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3eey h ASN 33 N 0.00 0.18 0.40 1.61 2.35 -1.93 -1.33 115.58 116.86 3eey h ASN 33 Ca 0.00 -0.30 -0.09 0.00 -0.55 0.00 0.00 56.30 55.36 3eey h ASN 33 Cb 0.00 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 3eey h ASN 33 CO 0.00 0.43 -0.41 0.44 -1.65 0.00 0.00 177.43 176.24 3eey h ASP 34 N -0.08 0.02 -0.26 5.81 3.32 -1.94 -2.04 116.42 121.25 3eey h ASP 34 Ca 0.03 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 3eey h ASP 34 Cb 0.34 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3eey h ASP 34 CO 0.00 0.43 -0.14 0.74 -1.72 0.00 0.00 179.24 178.55 3eey h THR 35 N 0.02 1.30 -0.64 0.35 2.02 -1.83 0.55 112.91 114.68 3eey h THR 35 Ca -0.00 -1.24 -0.07 0.00 0.77 0.00 0.00 66.41 65.87 3eey h THR 35 Cb 0.74 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.68 3eey h THR 35 CO 0.05 0.39 0.14 0.00 0.37 0.00 0.00 175.52 176.48 3eey h ALA 36 N 0.72 0.85 0.10 6.16 0.00 -1.23 -0.49 119.26 125.37 3eey h ALA 36 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3eey h ALA 36 Cb 0.66 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3eey h ALA 36 CO 0.04 0.58 -0.08 0.35 0.00 0.00 0.00 179.25 180.14 3eey h PHE 37 N 0.96 -0.20 -0.70 0.00 3.57 -1.28 -1.25 116.94 118.04 3eey h PHE 37 Ca 0.20 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 3eey h PHE 37 Cb 0.38 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 3eey h PHE 37 CO 0.03 -0.12 0.39 -0.07 -2.23 0.00 0.00 178.31 176.31 3eey h LEU 38 N -0.18 0.86 -0.60 0.59 3.38 -0.78 -2.82 115.31 115.76 3eey h LEU 38 Ca -0.00 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 3eey h LEU 38 Cb 0.17 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3eey h LEU 38 CO -0.01 0.69 0.03 0.00 0.09 0.00 0.00 178.44 179.24 3eey h ALA 39 N 1.46 0.81 -0.03 1.53 0.00 -0.81 -2.83 119.26 119.37 3eey h ALA 39 Ca 0.25 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3eey h ALA 39 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3eey h ALA 39 CO -0.04 0.62 -0.33 0.66 0.00 0.00 0.00 179.25 180.16 3eey h SER 40 N 0.94 0.06 1.11 0.00 4.64 -1.08 -2.96 113.55 116.26 3eey h SER 40 Ca 0.17 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.36 3eey h SER 40 Cb 0.51 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 3eey h SER 40 CO 0.02 0.40 -0.55 -0.07 -0.87 0.00 0.00 176.83 175.76 3eey h LEU 41 N 0.06 0.00 0.00 5.97 3.38 -1.36 -3.35 115.31 120.01 3eey h LEU 41 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3eey h LEU 41 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3eey h LEU 41 CO 0.05 0.55 -1.49 0.55 0.09 0.00 0.00 178.44 178.18 3eey n VAL 42 N -3.40 0.16 -3.90 1.22 3.14 -1.08 -3.85 118.33 110.62 3eey n VAL 42 Ca 0.01 -0.41 0.00 0.00 -2.96 0.00 0.00 64.34 60.98 3eey n VAL 42 Cb 0.68 0.07 -0.00 0.00 -1.06 0.00 0.00 33.84 33.53 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 -1.92 0.25 7.55 0.00 -1.15 -0.17 105.19 111.03 3eey n GLY 43 Ca -0.01 -1.36 -0.09 0.00 0.00 0.00 0.00 46.02 44.56 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 0.72 -0.23 1.61 4.57 -1.96 -3.09 114.58 116.20 3eey h GLU 44 Ca 0.00 -0.34 0.00 0.00 -1.18 0.00 0.00 59.36 57.84 3eey h GLU 44 Cb 0.02 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3eey h GLU 44 CO 0.00 0.95 0.00 0.09 -1.18 0.00 0.00 179.01 178.87 3eey n ASN 45 N -4.06 2.02 -5.01 1.04 3.02 -1.26 -4.88 115.26 106.13 3eey n ASN 45 Ca -0.01 -1.80 -0.17 0.00 -0.03 0.00 0.00 54.58 52.57 3eey n ASN 45 Cb 0.50 -0.15 0.02 0.00 -0.61 0.00 0.00 39.78 39.53 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 -1.48 1.92 -0.03 7.41 0.00 -1.17 -4.64 107.32 109.34 3eey s GLY 46 Ca 0.32 -1.72 0.01 0.00 0.00 0.00 0.00 44.72 43.33 3eey s GLY 46 CO 0.26 -1.50 -0.04 -1.60 0.00 0.00 0.00 173.10 170.22 3eey s ARG 47 N -4.40 0.59 -0.18 2.90 6.06 -0.85 -4.75 118.95 118.32 3eey s ARG 47 Ca 0.56 -0.08 -0.01 0.00 -2.50 0.00 0.00 55.73 53.70 3eey s ARG 47 Cb -0.09 -0.64 0.00 0.00 0.06 0.00 0.00 34.95 34.28 3eey s ARG 47 CO 0.34 -0.04 -0.13 0.08 -2.50 0.00 0.00 175.30 173.04 3eey s VAL 48 N 0.66 2.68 -0.20 7.11 1.01 -0.56 -1.02 120.40 130.08 3eey s VAL 48 Ca -0.08 -0.74 -0.14 0.00 0.00 0.00 0.00 61.98 61.02 3eey s VAL 48 Cb -0.11 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3eey s VAL 48 CO -0.00 0.50 0.33 -0.36 0.00 0.00 0.00 175.10 175.56 3eey s PHE 49 N 1.17 3.38 -0.03 5.22 0.08 -0.57 -0.56 117.98 126.67 3eey s PHE 49 Ca 0.02 0.53 0.05 0.00 0.12 0.00 0.00 56.93 57.64 3eey s PHE 49 Cb -0.14 -2.44 -0.03 0.00 -0.57 0.00 0.00 43.02 39.85 3eey s PHE 49 CO -0.05 0.05 -0.16 0.20 -0.10 0.00 0.00 175.22 175.16 3eey s GLY 50 N 0.94 1.52 -0.03 4.36 0.00 -0.09 -0.69 107.32 113.32 3eey s GLY 50 Ca 0.16 -1.03 0.04 0.00 0.00 0.00 0.00 44.72 43.89 3eey s GLY 50 CO 0.06 -0.84 -0.14 -1.36 0.00 0.00 0.00 173.10 170.82 3eey s PHE 51 N -0.76 1.34 0.09 1.90 0.08 -0.47 -0.69 117.98 119.46 3eey s PHE 51 Ca 0.12 -0.32 -0.24 0.00 0.12 0.00 0.00 56.93 56.61 3eey s PHE 51 Cb -0.11 -0.90 0.06 0.00 -0.57 0.00 0.00 43.02 41.51 3eey s PHE 51 CO 0.01 -0.09 0.58 0.34 -0.10 0.00 0.00 175.22 175.96 3eey s ASP 52 N -0.07 -0.52 0.00 1.36 -1.08 -1.12 -0.93 116.67 114.30 3eey s ASP 52 Ca 0.00 0.14 0.24 0.00 -0.52 0.00 0.00 52.55 52.41 3eey s ASP 52 Cb -0.08 0.55 0.15 0.00 -1.46 0.00 0.00 42.92 42.08 3eey s ASP 52 CO 0.01 -0.83 1.21 2.30 0.52 0.00 0.00 175.17 178.37 3eey n ILE 53 N 0.06 0.00 -4.55 4.11 -5.35 -1.26 -2.35 119.36 110.02 3eey n ILE 53 Ca -0.18 -0.33 -0.34 0.00 -0.27 0.00 0.00 62.75 61.63 3eey n ILE 53 Cb 0.62 1.25 -0.11 0.00 -1.74 0.00 0.00 39.64 39.67 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 -2.30 2.84 0.24 6.28 -0.21 -1.26 -4.94 119.66 120.31 3eey s GLN 54 Ca 0.23 -0.51 0.01 0.00 0.02 0.00 0.00 55.36 55.11 3eey s GLN 54 Cb 0.19 -2.66 0.28 0.00 1.00 0.00 0.00 33.01 31.82 3eey s GLN 54 CO 0.47 0.66 1.63 -0.44 -2.12 0.00 0.00 175.29 175.48 3eey h ASP 55 N 5.27 0.52 -0.85 5.90 3.32 -2.00 -2.75 116.42 125.83 3eey h ASP 55 Ca -0.49 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 56.31 3eey h ASP 55 Cb 1.18 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.55 3eey h ASP 55 CO 0.53 0.85 0.42 0.50 -1.72 0.00 0.00 179.24 179.82 3eey h LYS 56 N 0.41 1.21 -0.12 3.56 3.64 -1.99 -2.16 116.57 121.12 3eey h LYS 56 Ca 0.04 -0.17 -0.20 0.00 -1.27 0.00 0.00 60.65 59.04 3eey h LYS 56 Cb 0.86 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3eey h LYS 56 CO 0.07 0.92 -0.74 0.00 -2.27 0.00 0.00 179.45 177.43 3eey h ALA 57 N 1.22 0.47 -0.52 5.00 0.00 -1.78 -2.25 119.26 121.40 3eey h ALA 57 Ca 0.29 -0.60 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 3eey h ALA 57 Cb 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3eey h ALA 57 CO -0.04 0.72 -0.07 0.82 0.00 0.00 0.00 179.25 180.68 3eey h ILE 58 N 0.41 1.27 -0.42 0.00 1.08 -1.43 -2.10 117.51 116.32 3eey h ILE 58 Ca -0.04 -1.21 -0.08 0.00 -0.39 0.00 0.00 64.86 63.15 3eey h ILE 58 Cb 1.34 0.98 -0.01 0.00 -3.07 0.00 0.00 36.82 36.06 3eey h ILE 58 CO 0.14 0.43 -0.03 0.00 -0.69 0.00 0.00 178.15 177.99 3eey h ALA 59 N 0.92 0.58 -0.51 1.87 0.00 -1.40 -0.93 119.26 119.80 3eey h ALA 59 Ca 0.14 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 3eey h ALA 59 Cb 0.63 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3eey h ALA 59 CO 0.04 0.39 0.04 -0.91 0.00 0.00 0.00 179.25 178.82 3eey h ASN 60 N 0.60 0.79 -0.21 0.00 4.21 -1.40 -0.79 115.58 118.78 3eey h ASN 60 Ca 0.12 -0.18 -0.18 0.00 1.21 0.00 0.00 56.30 57.27 3eey h ASN 60 Cb 0.54 -0.21 -0.00 0.00 -1.12 0.00 0.00 38.32 37.53 3eey h ASN 60 CO 0.03 0.83 -0.54 0.74 -1.29 0.00 0.00 177.43 177.20 3eey h THR 61 N 0.78 1.29 -0.59 2.81 2.02 -1.29 -1.61 112.91 116.31 3eey h THR 61 Ca 0.16 -1.74 -0.01 0.00 0.77 0.00 0.00 66.41 65.59 3eey h THR 61 Cb 0.41 1.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 3eey h THR 61 CO 0.01 0.56 0.32 0.74 0.37 0.00 0.00 175.52 177.52 3eey h THR 62 N 0.61 1.20 -0.33 3.16 2.02 -1.00 -1.51 112.91 117.06 3eey h THR 62 Ca 0.02 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.66 3eey h THR 62 Cb 1.13 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 3eey h THR 62 CO 0.12 0.22 0.09 0.50 0.37 0.00 0.00 175.52 176.82 3eey h LYS 63 N 0.81 0.52 0.05 6.66 3.64 -1.08 -2.01 116.57 125.16 3eey h LYS 63 Ca 0.21 -0.12 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3eey h LYS 63 Cb 0.06 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 3eey h LYS 63 CO -0.03 0.56 -0.22 0.87 -2.27 0.00 0.00 179.45 178.36 3eey h LYS 64 N 0.38 -0.37 -0.06 1.90 1.79 -1.16 -2.16 116.57 116.88 3eey h LYS 64 Ca 0.11 0.03 -0.11 0.00 -2.18 0.00 0.00 60.65 58.49 3eey h LYS 64 Cb 0.27 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 3eey h LYS 64 CO -0.00 -0.25 -0.46 -0.07 -1.08 0.00 0.00 179.45 177.59 3eey h LEU 65 N -0.38 0.16 -0.35 2.94 3.38 -1.24 -2.69 115.31 117.13 3eey h LEU 65 Ca 0.05 -0.07 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 3eey h LEU 65 Cb 0.44 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3eey h LEU 65 CO -0.17 0.60 -0.70 0.74 0.09 0.00 0.00 178.44 179.01 3eey h THR 66 N 0.12 1.33 -0.81 0.22 2.02 -1.35 0.46 112.91 114.91 3eey h THR 66 Ca 0.01 -2.00 0.06 0.00 0.77 0.00 0.00 66.41 65.25 3eey h THR 66 Cb 0.87 1.97 -0.05 0.00 -1.74 0.00 0.00 68.15 69.20 3eey h THR 66 CO 0.07 0.62 0.53 -0.78 0.37 0.00 0.00 175.52 176.32 3eey h ASP 67 N 0.41 0.78 -0.63 4.18 3.58 -1.21 -2.84 116.42 120.70 3eey h ASP 67 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 3eey h ASP 67 Cb 1.28 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.17 3eey h ASP 67 CO 0.13 0.51 0.00 0.18 -2.88 0.00 0.00 179.24 177.18 3eey n LEU 68 N -4.48 3.99 -3.77 2.28 4.77 -1.03 -4.96 117.00 113.81 3eey n LEU 68 Ca 0.12 -2.15 -0.24 0.00 -0.03 0.00 0.00 56.01 53.71 3eey n LEU 68 Cb 0.20 -0.47 0.03 0.00 -2.33 0.00 0.00 43.42 40.86 3eey n LEU 68 CO 0.33 0.89 0.00 -3.20 -1.33 0.00 0.00 177.39 174.08 3eey n ASN 69 N 1.24 -2.52 0.00 -1.43 5.15 -0.87 -4.91 115.26 111.92 3eey n ASN 69 Ca 0.22 -0.80 0.00 0.00 -0.60 0.00 0.00 54.58 53.41 3eey n ASN 69 Cb 0.67 -4.03 0.00 0.00 -0.53 0.00 0.00 39.78 35.89 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 -4.43 0.67 0.27 1.20 4.77 0.16 -4.78 117.00 114.85 3eey n LEU 70 Ca -0.18 -0.77 0.13 0.00 -0.03 0.00 0.00 56.01 55.17 3eey n LEU 70 Cb 0.62 0.00 0.74 0.00 -2.33 0.00 0.00 43.42 42.46 3eey n LEU 70 CO 0.71 0.17 0.98 -0.29 -1.33 0.00 0.00 177.39 177.63 3eey h ILE 71 N 0.11 0.51 0.00 -0.08 6.09 -1.84 -3.17 117.51 119.13 3eey h ILE 71 Ca 0.00 -0.51 -0.07 0.00 -1.37 0.00 0.00 64.86 62.91 3eey h ILE 71 Cb 0.06 1.34 -0.01 0.00 0.47 0.00 0.00 36.82 38.68 3eey h ILE 71 CO 0.00 0.11 -0.34 0.44 -3.07 0.00 0.00 178.15 175.29 3eey h ASP 72 N 0.00 0.00 -0.15 2.19 3.32 -1.90 -2.92 116.42 116.96 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 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3eey h ASP 72 CO 0.01 0.34 0.00 -2.11 -1.72 0.00 0.00 179.24 175.76 3eey n ARG 73 N -3.41 2.13 -4.32 3.56 0.00 -1.20 -4.91 116.66 108.52 3eey n ARG 73 Ca 0.00 -1.67 -0.34 0.00 -0.00 0.00 0.00 57.85 55.85 3eey n ARG 73 Cb 0.52 -1.47 -0.11 0.00 -0.00 0.00 0.00 32.46 31.40 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 -1.83 4.11 -0.43 8.89 1.01 -1.10 -1.50 120.40 129.56 3eey s VAL 74 Ca 0.34 -0.28 -0.11 0.00 0.00 0.00 0.00 61.98 61.93 3eey s VAL 74 Cb 0.20 -2.81 0.07 0.00 0.00 0.00 0.00 36.38 33.85 3eey s VAL 74 CO 0.30 0.49 0.28 -0.89 0.00 0.00 0.00 175.10 175.29 3eey s THR 75 N 0.27 4.47 -0.16 3.92 2.01 0.27 -4.97 115.64 121.46 3eey s THR 75 Ca -0.01 -1.28 -0.21 0.00 0.31 0.00 0.00 61.69 60.49 3eey s THR 75 Cb -0.14 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 3eey s THR 75 CO 0.02 -0.50 0.63 -0.76 -0.69 0.00 0.00 174.62 173.32 3eey s LEU 76 N 1.48 4.20 -0.16 4.42 1.43 -1.26 -0.92 118.68 127.87 3eey s LEU 76 Ca 0.03 0.91 0.01 0.00 -1.03 0.00 0.00 54.13 54.05 3eey s LEU 76 Cb -0.23 -2.91 0.02 0.00 0.03 0.00 0.00 46.19 43.10 3eey s LEU 76 CO 0.03 -0.20 -0.18 -0.63 0.23 0.00 0.00 176.35 175.60 3eey s ILE 77 N 1.49 1.85 -1.22 -0.59 1.01 0.13 -4.96 121.20 118.91 3eey s ILE 77 Ca 0.30 -0.82 -0.15 0.00 0.00 0.00 0.00 60.65 59.99 3eey s ILE 77 Cb -0.16 -1.69 0.14 0.00 0.01 0.00 0.00 42.46 40.76 3eey s ILE 77 CO 0.12 0.51 1.51 -0.75 0.00 0.00 0.00 174.94 176.32 3eey s LYS 78 N 1.30 4.05 0.20 2.79 2.20 -1.26 -2.80 119.74 126.22 3eey s LYS 78 Ca 0.03 -2.40 -0.20 0.00 -0.36 0.00 0.00 55.97 53.04 3eey s LYS 78 Cb -0.13 -5.19 0.04 0.00 -1.51 0.00 0.00 37.83 31.04 3eey s LYS 78 CO -0.11 -1.90 0.58 0.34 -0.36 0.00 0.00 175.35 173.91 3eey s ASP 79 N 3.22 -0.35 0.46 1.43 2.15 -0.99 -4.95 116.67 117.65 3eey s ASP 79 Ca 0.45 -0.36 -0.23 0.00 0.43 0.00 0.00 52.55 52.84 3eey s ASP 79 Cb -0.01 0.61 -0.08 0.00 -0.30 0.00 0.00 42.92 43.15 3eey s ASP 79 CO 0.02 -1.08 1.14 -0.83 -0.17 0.00 0.00 175.17 174.24 3eey s GLY 80 N -2.85 2.74 0.59 2.66 0.00 -1.26 -3.55 107.32 105.66 3eey s GLY 80 Ca 0.07 0.87 0.37 0.00 0.00 0.00 0.00 44.72 46.03 3eey s GLY 80 CO -0.04 1.30 2.12 1.12 0.00 0.00 0.00 173.10 177.60 3eey h HIS 81 N 2.01 0.00 0.00 1.90 2.07 -1.92 -1.09 115.15 118.13 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 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 3eey h HIS 81 CO 0.54 0.01 0.00 -0.56 -3.07 0.00 0.00 177.93 174.85 3eey h GLN 82 N 0.00 0.00 -0.36 5.12 -0.00 -1.90 -2.47 115.11 115.49 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 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.82 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 -2.53 4.33 0.30 0.06 3.02 -0.41 -4.60 115.26 115.43 3eey n ASN 83 Ca -0.01 -2.90 0.16 0.00 -0.03 0.00 0.00 54.58 51.80 3eey n ASN 83 Cb 0.08 -0.56 0.93 0.00 -0.61 0.00 0.00 39.78 39.62 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 2.48 0.00 0.00 3.52 -0.00 -1.57 -2.16 114.93 117.19 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 1.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.13 3eey h MET 84 CO 0.28 0.03 0.00 0.38 -0.00 0.00 0.00 176.91 177.59 3eey h ASP 85 N 0.00 0.00 1.14 -0.10 2.03 -1.84 -2.57 116.42 115.08 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 0.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.60 3eey h ASP 85 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 179.24 178.32 3eey h LYS 86 N 0.00 0.00 0.00 4.15 1.57 -1.77 -3.34 116.57 117.17 3eey h LYS 86 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3eey h LYS 86 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3eey h LYS 86 CO 0.00 0.00 -0.44 0.66 -0.57 0.00 0.00 179.45 179.10 3eey n TYR 87 N -2.50 0.00 -4.61 -1.35 4.01 -1.00 -5.01 117.16 106.71 3eey n TYR 87 Ca 0.03 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.52 3eey n TYR 87 Cb 0.33 -0.01 -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 -1.49 1.19 0.00 -0.72 1.01 -1.04 -5.00 121.20 115.15 3eey s ILE 88 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.14 3eey s ILE 88 Cb 0.01 -1.08 0.00 0.00 0.01 0.00 0.00 42.46 41.39 3eey s ILE 88 CO 0.05 0.37 0.00 -0.90 0.00 0.00 0.00 174.94 174.45 3eey n ASP 89 N 3.82 0.98 -4.89 3.58 5.75 -1.26 -4.67 116.55 119.87 3eey n ASP 89 Ca -0.22 -0.25 -0.29 0.00 -0.01 0.00 0.00 54.79 54.01 3eey n ASP 89 Cb 0.52 0.70 -0.03 0.00 -1.03 0.00 0.00 41.12 41.29 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 -3.96 4.23 0.03 0.00 0.02 -1.26 -4.96 135.00 129.10 3eey s PRO 91 Ca 0.48 2.40 0.01 0.00 0.02 0.00 0.00 61.00 63.92 3eey s PRO 91 Cb -0.10 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.34 3eey s PRO 91 CO 0.34 -0.41 0.07 0.14 -0.33 0.00 0.00 177.00 176.80 3eey s VAL 92 N -0.75 4.54 -0.02 3.83 -7.23 -0.22 -4.70 120.40 115.84 3eey s VAL 92 Ca 0.54 -0.61 -0.16 0.00 -1.81 0.00 0.00 61.98 59.95 3eey s VAL 92 Cb -0.43 -3.12 -0.33 0.00 0.56 0.00 0.00 36.38 33.06 3eey s VAL 92 CO 0.54 0.25 0.85 0.50 -0.31 0.00 0.00 175.10 176.93 3eey h LYS 93 N 3.78 0.44 -3.48 4.82 1.63 -1.23 0.01 116.57 122.53 3eey h LYS 93 Ca -0.48 -0.75 -0.12 0.00 -0.85 0.00 0.00 60.65 58.45 3eey h LYS 93 Cb 1.17 0.28 -0.19 0.00 -0.60 0.00 0.00 32.23 32.89 3eey h LYS 93 CO 0.63 1.36 -0.41 0.00 -3.45 0.00 0.00 179.45 177.58 3eey s ALA 94 N -2.55 -0.40 -0.03 5.00 0.00 -1.25 -1.12 121.76 121.40 3eey s ALA 94 Ca -0.13 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 51.69 3eey s ALA 94 Cb 0.04 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.37 3eey s ALA 94 CO 0.89 -0.30 -0.05 0.08 0.00 0.00 0.00 175.76 176.38 3eey s VAL 95 N -2.01 0.50 -0.17 0.00 1.01 -0.53 -0.62 120.40 118.58 3eey s VAL 95 Ca -0.09 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 3eey s VAL 95 Cb -0.04 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 3eey s VAL 95 CO -0.01 0.20 -0.04 -0.04 0.00 0.00 0.00 175.10 175.21 3eey s MET 96 N 0.70 3.60 -0.10 2.72 -1.94 -0.14 -1.72 119.30 122.43 3eey s MET 96 Ca -0.09 -0.55 0.01 0.00 -1.71 0.00 0.00 55.69 53.35 3eey s MET 96 Cb -0.12 -2.93 -0.02 0.00 2.01 0.00 0.00 34.83 33.77 3eey s MET 96 CO 0.00 0.15 -0.13 -0.06 -0.01 0.00 0.00 175.02 174.97 3eey s PHE 97 N 0.60 2.78 -0.33 -0.03 0.08 0.32 -1.58 117.98 119.83 3eey s PHE 97 Ca -0.03 -0.45 -0.00 0.00 0.12 0.00 0.00 56.93 56.57 3eey s PHE 97 Cb -0.14 -1.77 0.11 0.00 -0.57 0.00 0.00 43.02 40.64 3eey s PHE 97 CO 0.02 -0.05 0.12 1.21 -0.10 0.00 0.00 175.22 176.42 3eey s ASN 98 N -0.06 3.95 -0.08 1.36 3.84 -1.26 -1.36 114.94 121.34 3eey s ASN 98 Ca -0.02 -1.81 -0.23 0.00 0.21 0.00 0.00 52.86 51.01 3eey s ASN 98 Cb -0.14 -0.88 -0.04 0.00 -0.55 0.00 0.00 41.25 39.64 3eey s ASN 98 CO 0.04 -0.39 0.68 -0.76 -2.79 0.00 0.00 177.10 173.88 3eey s LEU 99 N 1.41 4.30 0.00 3.21 1.43 -0.26 -4.91 118.68 123.86 3eey s LEU 99 Ca 0.11 1.13 0.00 0.00 -1.03 0.00 0.00 54.13 54.35 3eey s LEU 99 Cb -0.18 -3.04 0.00 0.00 0.03 0.00 0.00 46.19 43.00 3eey s LEU 99 CO -0.20 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 176.86 3eey n GLY 100 N 3.17 0.51 3.92 -3.19 0.00 -1.26 -3.04 105.19 105.30 3eey n GLY 100 Ca -0.02 -1.47 -0.22 0.00 0.00 0.00 0.00 46.02 44.31 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 -3.81 3.36 -0.09 1.61 1.13 -1.26 -2.19 117.35 116.10 3eey s TYR 101 Ca 0.00 -0.02 -0.30 0.00 -1.41 0.00 0.00 57.07 55.34 3eey s TYR 101 Cb 0.00 -1.54 -0.04 0.00 -1.10 0.00 0.00 41.96 39.28 3eey s TYR 101 CO 0.00 0.47 1.46 -1.17 -2.51 0.00 0.00 175.55 173.80 3eey s LEU 102 N -3.81 4.26 0.27 -3.49 2.96 -1.26 -5.00 118.68 112.61 3eey s LEU 102 Ca 0.34 2.00 -0.30 0.00 -0.22 0.00 0.00 54.13 55.94 3eey s LEU 102 Cb -0.09 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.96 3eey s LEU 102 CO 0.28 -0.83 1.46 -2.16 -1.32 0.00 0.00 176.35 173.78 3eey s PRO 103 N 3.58 4.24 -0.96 0.98 0.04 -1.26 -1.89 135.00 139.74 3eey s PRO 103 Ca 0.64 2.35 0.00 0.00 0.04 0.00 0.00 61.00 64.04 3eey s PRO 103 Cb -0.28 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.17 3eey s PRO 103 CO 0.23 -0.45 0.00 -1.13 0.04 0.00 0.00 177.00 175.69 3eey n SER 104 N 2.12 -5.41 -0.22 6.66 3.41 -1.26 -4.97 113.62 113.94 3eey n SER 104 Ca 0.06 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 3eey n SER 104 Cb 0.40 -3.90 0.00 0.00 -0.26 0.00 0.00 64.21 60.45 3eey n SER 104 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3eey n GLY 105 N 0.34 4.21 3.65 5.00 0.00 -0.79 -5.07 105.19 112.54 3eey n GLY 105 Ca -0.09 -2.05 -0.43 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.26 6.91 0.49 1.61 3.68 -1.26 -4.92 116.67 122.92 3eey s ASP 106 Ca 0.00 1.50 0.28 0.00 2.13 0.00 0.00 52.55 56.46 3eey s ASP 106 Cb 0.00 -2.54 0.90 0.00 -1.45 0.00 0.00 42.92 39.83 3eey s ASP 106 CO 0.00 -0.82 1.81 0.45 0.13 0.00 0.00 175.17 176.74 3eey h HIS 107 N 8.30 0.00 -0.00 -5.34 3.86 -1.98 -3.01 115.15 116.98 3eey h HIS 107 Ca -0.25 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 3eey h HIS 107 Cb 1.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.56 3eey h HIS 107 CO 0.81 0.03 -0.41 -1.13 0.86 0.00 0.00 177.93 178.09 3eey n SER 108 N -3.12 0.46 -4.39 2.45 3.41 -1.26 -4.61 113.62 106.55 3eey n SER 108 Ca 0.02 -0.19 -0.44 0.00 -0.26 0.00 0.00 58.87 57.99 3eey n SER 108 Cb 0.41 0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 64.44 3eey n SER 108 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3eey s ILE 109 N -2.96 4.92 0.28 -1.33 1.01 -1.14 -5.03 121.20 116.96 3eey s ILE 109 Ca 0.13 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.93 3eey s ILE 109 Cb 0.18 -4.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 3eey s ILE 109 CO 0.66 -0.93 0.18 -0.94 0.00 0.00 0.00 174.94 173.92 3eey s SER 110 N 3.18 1.21 0.44 3.58 1.04 -1.26 -4.26 113.70 117.63 3eey s SER 110 Ca 0.11 -1.57 -0.24 0.00 0.48 0.00 0.00 55.95 54.73 3eey s SER 110 Cb -0.23 0.43 -0.08 0.00 0.10 0.00 0.00 66.02 66.24 3eey s SER 110 CO 0.08 -0.92 1.27 0.42 0.98 0.00 0.00 173.24 175.06 3eey s THR 111 N -3.71 2.69 0.02 2.02 -4.23 -0.93 -4.98 115.64 106.52 3eey s THR 111 Ca 0.38 0.57 0.07 0.00 -1.18 0.00 0.00 61.69 61.54 3eey s THR 111 Cb 0.05 -3.32 -0.03 0.00 1.34 0.00 0.00 72.50 70.54 3eey s THR 111 CO 0.19 0.05 -0.22 -0.60 -0.54 0.00 0.00 174.62 173.50 3eey s ARG 112 N -2.47 2.06 0.21 3.99 3.52 -1.26 -4.80 118.95 120.19 3eey s ARG 112 Ca 0.61 -0.97 -0.09 0.00 -0.13 0.00 0.00 55.73 55.15 3eey s ARG 112 Cb -0.35 -2.13 0.27 0.00 -1.56 0.00 0.00 34.95 31.18 3eey s ARG 112 CO 0.44 0.55 1.77 -1.35 -0.81 0.00 0.00 175.30 175.90 3eey h PRO 113 N 4.92 0.50 -0.18 5.12 0.11 -1.91 -1.16 132.00 139.39 3eey h PRO 113 Ca -0.46 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 3eey h PRO 113 Cb 1.14 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3eey h PRO 113 CO 0.47 0.33 -0.40 1.05 -0.21 0.00 0.00 178.00 179.24 3eey h GLU 114 N 0.52 0.42 0.03 1.05 4.11 -1.98 -0.73 114.58 118.00 3eey h GLU 114 Ca 0.31 -0.20 -0.22 0.00 0.07 0.00 0.00 59.36 59.31 3eey h GLU 114 Cb 0.31 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3eey h GLU 114 CO -0.26 0.75 -1.02 1.79 0.07 0.00 0.00 179.01 180.34 3eey h THR 115 N 0.35 1.62 -0.27 -1.06 1.35 -1.95 -2.23 112.91 110.73 3eey h THR 115 Ca 0.03 -3.17 -0.02 0.00 -0.55 0.00 0.00 66.41 62.70 3eey h THR 115 Cb 0.86 2.79 -0.01 0.00 -1.73 0.00 0.00 68.15 70.05 3eey h THR 115 CO 0.07 0.91 0.08 0.74 -0.25 0.00 0.00 175.52 177.07 3eey h THR 116 N 0.03 1.20 -0.78 6.82 2.02 -1.02 0.82 112.91 122.00 3eey h THR 116 Ca -0.04 -0.65 -0.05 0.00 0.77 0.00 0.00 66.41 66.44 3eey h THR 116 Cb 1.75 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 69.25 3eey h THR 116 CO 0.15 0.21 0.29 0.40 0.37 0.00 0.00 175.52 176.94 3eey h ILE 117 N 0.26 1.26 0.24 3.11 2.04 -1.18 0.69 117.51 123.94 3eey h ILE 117 Ca 0.09 -0.85 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 3eey h ILE 117 Cb 0.25 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3eey h ILE 117 CO -0.00 0.34 -0.17 1.56 0.00 0.00 0.00 178.15 179.88 3eey h GLN 118 N 1.14 -0.40 -0.85 2.37 4.20 -1.28 -1.83 115.11 118.46 3eey h GLN 118 Ca 0.26 0.03 0.08 0.00 0.06 0.00 0.00 58.65 59.07 3eey h GLN 118 Cb 0.25 0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.06 3eey h GLN 118 CO -0.02 -0.27 0.55 0.00 -0.67 0.00 0.00 178.83 178.43 3eey h ALA 119 N 0.32 1.63 -0.52 3.87 0.00 -0.58 -1.85 119.26 122.13 3eey h ALA 119 Ca -0.02 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3eey h ALA 119 Cb 0.36 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3eey h ALA 119 CO 0.00 0.22 -0.12 -0.07 0.00 0.00 0.00 179.25 179.29 3eey h LEU 120 N 0.88 0.98 -0.66 0.00 3.38 -0.66 0.12 115.31 119.35 3eey h LEU 120 Ca 0.38 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3eey h LEU 120 Cb 0.32 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3eey h LEU 120 CO -0.15 1.10 0.18 -1.28 0.09 0.00 0.00 178.44 178.38 3eey h SER 121 N 0.87 0.99 -0.40 -0.43 0.87 -0.94 0.26 113.55 114.76 3eey h SER 121 Ca 0.14 -0.23 -0.09 0.00 -1.23 0.00 0.00 61.79 60.38 3eey h SER 121 Cb 0.67 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 3eey h SER 121 CO 0.05 0.95 -0.09 0.11 -0.53 0.00 0.00 176.83 177.33 3eey h LYS 122 N 0.97 0.77 -0.73 2.24 1.79 -1.06 -1.71 116.57 118.85 3eey h LYS 122 Ca 0.21 -0.29 -0.04 0.00 -2.18 0.00 0.00 60.65 58.35 3eey h LYS 122 Cb 0.34 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.91 3eey h LYS 122 CO -0.00 0.90 0.31 0.00 -1.08 0.00 0.00 179.45 179.58 3eey h ALA 123 N 0.85 0.95 -0.42 3.86 0.00 -0.65 -1.30 119.26 122.55 3eey h ALA 123 Ca 0.10 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3eey h ALA 123 Cb 0.60 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3eey h ALA 123 CO 0.04 0.55 -0.04 0.52 0.00 0.00 0.00 179.25 180.32 3eey h MET 124 N 1.04 0.70 -0.16 0.00 2.86 -0.79 -1.39 114.93 117.19 3eey h MET 124 Ca 0.25 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 3eey h MET 124 Cb 0.18 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 3eey h MET 124 CO -0.02 0.74 0.07 0.93 1.06 0.00 0.00 176.91 179.69 3eey h GLU 125 N 0.65 0.24 0.00 1.72 5.08 -1.10 -3.25 114.58 117.92 3eey h GLU 125 Ca 0.12 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 3eey h GLU 125 Cb 0.47 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3eey h GLU 125 CO 0.02 0.30 -0.31 -0.07 -1.00 0.00 0.00 179.01 177.96 3eey h LEU 126 N 0.12 0.00 -9.85 1.33 3.38 -0.96 -3.46 115.31 105.88 3eey h LEU 126 Ca 0.06 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.48 3eey h LEU 126 Cb 0.14 0.00 0.10 0.00 0.09 0.00 0.00 40.66 40.99 3eey h LEU 126 CO -0.01 0.31 0.76 0.18 0.09 0.00 0.00 178.44 179.77 3eey n LEU 127 N -3.57 4.40 -4.82 1.67 4.77 -0.55 -1.06 117.00 117.85 3eey n LEU 127 Ca -0.01 1.20 -0.33 0.00 -0.03 0.00 0.00 56.01 56.85 3eey n LEU 127 Cb 0.44 -1.58 -0.03 0.00 -2.33 0.00 0.00 43.42 39.92 3eey n LEU 127 CO 0.35 0.03 0.69 0.54 -1.33 0.00 0.00 177.39 177.67 3eey s VAL 128 N -0.74 4.25 0.18 4.08 0.11 -0.01 -4.76 120.40 123.51 3eey s VAL 128 Ca 0.57 1.19 -0.33 0.00 -2.93 0.00 0.00 61.98 60.48 3eey s VAL 128 Cb -0.50 -3.59 -0.14 0.00 -1.53 0.00 0.00 36.38 30.61 3eey s VAL 128 CO 0.59 -0.51 1.41 0.41 -3.33 0.00 0.00 175.10 173.66 3eey n THR 129 N -1.37 0.50 -0.88 5.04 -1.04 -1.26 -0.85 114.28 114.41 3eey n THR 129 Ca 0.07 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 3eey n THR 129 Cb 0.54 -1.28 0.00 0.00 -1.82 0.00 0.00 70.33 67.77 3eey n THR 129 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3eey n GLY 130 N 2.57 0.55 3.93 3.41 0.00 0.32 -5.02 105.19 110.95 3eey n GLY 130 Ca 0.15 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.05 1.56 0.00 -0.02 0.00 -0.03 -4.90 107.32 101.89 3eey s GLY 131 Ca 0.00 -0.83 0.04 0.00 0.00 0.00 0.00 44.72 43.93 3eey s GLY 131 CO 0.00 -0.62 -0.14 -1.50 0.00 0.00 0.00 173.10 170.84 3eey s ILE 132 N -2.75 1.10 -0.11 0.90 2.07 -0.27 -2.23 121.20 119.91 3eey s ILE 132 Ca 0.50 -0.69 0.01 0.00 -1.41 0.00 0.00 60.65 59.06 3eey s ILE 132 Cb -0.10 -0.94 -0.02 0.00 0.13 0.00 0.00 42.46 41.53 3eey s ILE 132 CO 0.42 0.24 -0.14 -0.63 -1.91 0.00 0.00 174.94 172.91 3eey s ILE 133 N -0.44 2.94 -0.09 2.00 1.01 0.98 -1.45 121.20 126.15 3eey s ILE 133 Ca 0.05 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 60.00 3eey s ILE 133 Cb -0.06 -2.21 -0.02 0.00 0.01 0.00 0.00 42.46 40.18 3eey s ILE 133 CO -0.00 0.54 -0.12 0.42 0.00 0.00 0.00 174.94 175.78 3eey s THR 134 N 0.16 3.21 -0.16 2.92 -4.23 -0.70 -0.31 115.64 116.53 3eey s THR 134 Ca -0.08 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 3eey s THR 134 Cb -0.15 -2.31 0.03 0.00 1.34 0.00 0.00 72.50 71.41 3eey s THR 134 CO 0.05 0.56 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.89 3eey s VAL 135 N -0.28 1.48 -0.34 2.29 1.01 0.62 -0.52 120.40 124.66 3eey s VAL 135 Ca 0.02 -0.72 -0.14 0.00 0.00 0.00 0.00 61.98 61.15 3eey s VAL 135 Cb -0.13 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 3eey s VAL 135 CO 0.03 0.31 0.29 -0.69 0.00 0.00 0.00 175.10 175.04 3eey s VAL 136 N 1.50 5.23 -0.29 2.92 1.01 -0.46 -0.34 120.40 129.97 3eey s VAL 136 Ca 0.02 -0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.83 3eey s VAL 136 Cb -0.14 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 3eey s VAL 136 CO -0.09 -0.03 0.18 -0.63 0.00 0.00 0.00 175.10 174.52 3eey s ILE 137 N 1.86 5.06 -0.24 2.22 1.01 0.66 -1.10 121.20 130.67 3eey s ILE 137 Ca 0.09 -0.04 -0.10 0.00 0.00 0.00 0.00 60.65 60.60 3eey s ILE 137 Cb -0.17 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 38.79 3eey s ILE 137 CO 0.11 0.19 0.16 -0.31 0.00 0.00 0.00 174.94 175.09 3eey s TYR 138 N 1.71 3.32 -0.09 3.97 2.02 -1.17 -1.56 117.35 125.56 3eey s TYR 138 Ca 0.06 0.23 0.13 0.00 -0.37 0.00 0.00 57.07 57.12 3eey s TYR 138 Cb -0.16 -2.26 0.20 0.00 -0.40 0.00 0.00 41.96 39.34 3eey s TYR 138 CO 0.09 0.09 1.10 2.48 -1.57 0.00 0.00 175.55 177.74 3eey n TYR 139 N 4.21 0.00 -1.88 2.71 4.11 -1.26 -4.67 117.16 120.38 3eey n TYR 139 Ca -0.15 -0.68 -0.34 0.00 -0.00 0.00 0.00 57.90 56.74 3eey n TYR 139 Cb 0.52 -0.12 0.04 0.00 -0.00 0.00 0.00 39.34 39.78 3eey n TYR 139 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 3eey s GLY 140 N -2.25 2.28 0.06 -7.48 0.00 -1.26 -3.13 107.32 95.53 3eey s GLY 140 Ca 0.22 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.56 3eey s GLY 140 CO 0.01 0.98 0.00 0.61 0.00 0.00 0.00 173.10 174.70 3eey n GLY 141 N -0.34 -2.31 0.31 0.20 0.00 -1.26 -3.77 105.19 98.03 3eey n GLY 141 Ca 0.11 -1.44 -0.05 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.15 0.92 -0.11 1.61 -0.00 -1.99 -2.23 116.42 114.48 3eey h ASP 142 Ca -0.01 -0.19 -0.03 0.00 -0.00 0.00 0.00 57.03 56.79 3eey h ASP 142 Cb 0.14 -0.24 -0.00 0.00 -0.00 0.00 0.00 39.33 39.23 3eey h ASP 142 CO 0.01 0.91 -0.06 0.71 -0.00 0.00 0.00 179.24 180.81 3eey h THR 143 N 0.93 1.33 -0.44 1.15 1.35 -1.94 -1.46 112.91 113.82 3eey h THR 143 Ca 0.19 -1.10 0.05 0.00 -0.55 0.00 0.00 66.41 65.00 3eey h THR 143 Cb 0.36 1.83 -0.04 0.00 -1.73 0.00 0.00 68.15 68.57 3eey h THR 143 CO 0.00 0.31 0.19 1.23 -0.25 0.00 0.00 175.52 177.01 3eey h GLY 144 N -0.14 0.60 0.81 5.82 0.00 -1.64 0.06 103.07 108.58 3eey h GLY 144 Ca 0.02 -0.12 0.04 0.00 0.00 0.00 0.00 47.33 47.27 3eey h GLY 144 CO 0.02 0.06 0.40 -2.75 0.00 0.00 0.00 176.54 174.27 3eey h PHE 145 N 0.39 0.74 -0.29 5.60 3.04 -1.26 -1.10 116.94 124.06 3eey h PHE 145 Ca 0.20 0.02 -0.17 0.00 3.98 0.00 0.00 57.97 62.01 3eey h PHE 145 Cb 0.15 -0.24 -0.00 0.00 2.56 0.00 0.00 35.95 38.42 3eey h PHE 145 CO -0.13 0.40 -0.48 1.49 -2.02 0.00 0.00 178.31 177.57 3eey h GLU 146 N 0.77 0.79 -0.33 1.11 4.57 -0.88 -2.90 114.58 117.70 3eey h GLU 146 Ca 0.28 -0.46 -0.07 0.00 -1.18 0.00 0.00 59.36 57.93 3eey h GLU 146 Cb 0.08 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 3eey h GLU 146 CO -0.13 1.09 -0.06 1.49 -1.18 0.00 0.00 179.01 180.22 3eey h GLU 147 N 0.62 0.62 -0.19 1.92 4.81 -0.75 -2.44 114.58 119.17 3eey h GLU 147 Ca 0.03 -0.23 0.03 0.00 -0.13 0.00 0.00 59.36 59.07 3eey h GLU 147 Cb 1.06 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.37 3eey h GLU 147 CO 0.11 0.78 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.94 3eey h LYS 148 N 0.41 0.05 -0.23 1.92 3.64 -1.23 -0.57 116.57 120.55 3eey h LYS 148 Ca 0.09 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 3eey h LYS 148 Cb 0.54 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.29 3eey h LYS 148 CO 0.03 0.03 -0.14 1.49 -2.27 0.00 0.00 179.45 178.59 3eey h GLU 149 N 0.05 -0.12 -0.17 1.90 4.81 -1.52 -1.65 114.58 117.88 3eey h GLU 149 Ca 0.09 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.23 3eey h GLU 149 Cb 0.12 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 3eey h GLU 149 CO -0.16 -0.08 -0.28 0.87 -0.73 0.00 0.00 179.01 178.63 3eey h LYS 150 N -0.13 0.49 -0.33 1.92 1.57 -1.30 -1.75 116.57 117.04 3eey h LYS 150 Ca 0.13 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3eey h LYS 150 Cb 0.32 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 3eey h LYS 150 CO -0.31 0.90 0.19 0.28 -0.57 0.00 0.00 179.45 179.94 3eey h VAL 151 N 0.13 1.13 -0.68 0.50 2.07 -1.07 -0.59 116.25 117.74 3eey h VAL 151 Ca 0.01 -0.32 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 3eey h VAL 151 Cb 0.86 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 3eey h VAL 151 CO 0.06 0.13 0.12 -0.07 0.02 0.00 0.00 177.57 177.83 3eey h LEU 152 N 0.42 1.07 -0.93 2.57 3.38 -1.36 0.18 115.31 120.64 3eey h LEU 152 Ca 0.12 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3eey h LEU 152 Cb 0.04 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 3eey h LEU 152 CO -0.02 1.05 0.50 -0.08 0.09 0.00 0.00 178.44 179.98 3eey h GLU 153 N 1.04 1.25 -0.32 1.13 4.81 -1.14 -0.93 114.58 120.42 3eey h GLU 153 Ca 0.21 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3eey h GLU 153 Cb 0.43 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3eey h GLU 153 CO 0.01 0.91 0.10 0.35 -0.73 0.00 0.00 179.01 179.65 3eey h PHE 154 N 1.25 0.53 0.00 0.92 3.57 -0.77 -3.24 116.94 119.20 3eey h PHE 154 Ca 0.32 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.70 3eey h PHE 154 Cb 0.02 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 3eey h PHE 154 CO 0.01 0.53 -0.29 -0.07 -2.23 0.00 0.00 178.31 176.26 3eey h LEU 155 N 0.37 0.00 -2.12 0.59 3.38 -0.69 -2.45 115.31 114.38 3eey h LEU 155 Ca 0.10 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.12 3eey h LEU 155 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3eey h LEU 155 CO -0.00 0.29 0.12 0.11 0.09 0.00 0.00 178.44 179.05 3eey h LYS 156 N 0.00 0.00 -0.00 1.13 1.57 -1.20 -2.80 116.57 115.27 3eey h LYS 156 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3eey h LYS 156 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 3eey h LYS 156 CO 0.04 0.00 -0.40 0.41 -0.57 0.00 0.00 179.45 178.93 3eey n GLY 157 N -1.50 -1.13 3.74 3.86 0.00 -0.92 -4.93 105.19 104.31 3eey n GLY 157 Ca 0.01 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.88 2.47 0.02 1.61 1.01 -1.06 -4.89 120.40 116.68 3eey s VAL 158 Ca 0.15 0.38 -0.31 0.00 0.00 0.00 0.00 61.98 62.19 3eey s VAL 158 Cb 0.18 -3.24 -0.10 0.00 0.00 0.00 0.00 36.38 33.22 3eey s VAL 158 CO 0.64 0.05 1.95 -0.67 0.00 0.00 0.00 175.10 177.08 3eey n ASP 159 N 2.70 4.04 0.27 3.32 2.03 -1.26 -4.87 116.55 122.78 3eey n ASP 159 Ca 0.09 0.92 0.17 0.00 0.52 0.00 0.00 54.79 56.48 3eey n ASP 159 Cb 0.39 -1.50 0.68 0.00 -0.72 0.00 0.00 41.12 39.96 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 10.23 0.00 0.00 -0.67 3.07 -1.91 0.49 115.11 126.33 3eey h GLN 160 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.25 3eey h GLN 160 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.81 3eey h GLN 160 CO 0.94 0.03 0.00 0.87 0.09 0.00 0.00 178.83 180.76 3eey h LYS 161 N 0.00 0.00 0.00 0.06 1.57 -2.00 -3.32 116.57 112.87 3eey h LYS 161 Ca -0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 3eey h LYS 161 Cb 0.52 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 3eey h LYS 161 CO 0.00 0.00 -1.70 1.63 -0.57 0.00 0.00 179.45 178.81 3eey n LYS 162 N -2.83 1.64 -4.08 3.15 4.76 -0.90 -4.23 118.16 115.66 3eey n LYS 162 Ca 0.03 0.02 -0.15 0.00 -2.87 0.00 0.00 58.31 55.35 3eey n LYS 162 Cb 0.41 -1.26 -0.14 0.00 -1.84 0.00 0.00 35.03 32.20 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 -2.25 0.35 -0.20 2.13 0.08 0.12 -0.22 117.98 117.99 3eey s PHE 163 Ca -0.09 -0.09 -0.18 0.00 0.12 0.00 0.00 56.93 56.69 3eey s PHE 163 Cb 0.03 -0.23 -0.03 0.00 -0.57 0.00 0.00 43.02 42.23 3eey s PHE 163 CO 0.37 -0.01 0.51 0.42 -0.10 0.00 0.00 175.22 176.41 3eey s ILE 164 N -0.16 5.11 -0.28 0.64 1.01 -0.12 -4.13 121.20 123.27 3eey s ILE 164 Ca 0.01 0.94 0.02 0.00 0.00 0.00 0.00 60.65 61.62 3eey s ILE 164 Cb -0.02 -3.83 0.06 0.00 0.01 0.00 0.00 42.46 38.68 3eey s ILE 164 CO -0.00 0.18 -0.07 -0.69 0.00 0.00 0.00 174.94 174.36 3eey s VAL 165 N 1.62 2.33 -0.15 2.92 1.01 -1.26 -0.89 120.40 125.98 3eey s VAL 165 Ca 0.24 -1.70 -0.01 0.00 0.00 0.00 0.00 61.98 60.51 3eey s VAL 165 Cb -0.15 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 3eey s VAL 165 CO 0.10 -0.12 -0.11 -1.58 0.00 0.00 0.00 175.10 173.38 3eey s GLN 166 N 1.10 3.39 -0.15 2.72 0.74 0.18 -4.95 119.66 122.70 3eey s GLN 166 Ca -0.06 -0.67 -0.04 0.00 0.05 0.00 0.00 55.36 54.65 3eey s GLN 166 Cb -0.20 -2.71 -0.03 0.00 1.10 0.00 0.00 33.01 31.17 3eey s GLN 166 CO -0.05 0.13 -0.02 0.50 -0.55 0.00 0.00 175.29 175.31 3eey s ARG 167 N 0.57 3.59 -0.09 1.67 3.52 -1.26 -0.33 118.95 126.62 3eey s ARG 167 Ca -0.07 -0.47 0.02 0.00 -0.13 0.00 0.00 55.73 55.08 3eey s ARG 167 Cb -0.15 -2.93 -0.02 0.00 -1.56 0.00 0.00 34.95 30.29 3eey s ARG 167 CO 0.03 0.33 -0.16 0.99 -0.81 0.00 0.00 175.30 175.69 3eey s THR 168 N 0.13 2.85 -0.12 4.11 2.01 0.49 -5.01 115.64 120.10 3eey s THR 168 Ca 0.00 -0.76 -0.08 0.00 0.31 0.00 0.00 61.69 61.16 3eey s THR 168 Cb -0.13 -2.14 0.04 0.00 0.01 0.00 0.00 72.50 70.27 3eey s THR 168 CO 0.02 0.55 0.29 -0.62 -0.69 0.00 0.00 174.62 174.18 3eey s ASP 169 N -0.06 -0.32 -0.64 3.53 2.15 -1.26 -2.26 116.67 117.81 3eey s ASP 169 Ca -0.03 0.61 -0.15 0.00 0.43 0.00 0.00 52.55 53.41 3eey s ASP 169 Cb -0.14 0.55 0.16 0.00 -0.30 0.00 0.00 42.92 43.19 3eey s ASP 169 CO 0.04 -0.14 0.58 -0.36 -0.17 0.00 0.00 175.17 175.13 3eey s PHE 170 N 0.73 3.44 -1.45 -5.34 0.08 -1.26 -4.95 117.98 109.24 3eey s PHE 170 Ca -0.05 -1.59 0.29 0.00 0.12 0.00 0.00 56.93 55.70 3eey s PHE 170 Cb -0.06 -3.78 1.26 0.00 -0.57 0.00 0.00 43.02 39.87 3eey s PHE 170 CO -0.05 -1.00 1.89 0.44 -0.10 0.00 0.00 175.22 176.40 3eey n ILE 171 N 4.75 0.00 0.16 0.64 -5.35 -1.26 -3.09 119.36 115.22 3eey n ILE 171 Ca -0.04 -0.03 0.08 0.00 -0.27 0.00 0.00 62.75 62.49 3eey n ILE 171 Cb 0.42 -0.24 0.14 0.00 -1.74 0.00 0.00 39.64 38.23 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 -1.17 2.83 -4.87 7.28 6.94 -1.26 -4.97 115.26 120.05 3eey n ASN 172 Ca 0.13 -1.84 -0.37 0.00 -0.02 0.00 0.00 54.58 52.48 3eey n ASN 172 Cb 0.28 -0.17 -0.06 0.00 -2.36 0.00 0.00 39.78 37.47 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 -1.13 3.61 0.67 -3.83 -0.21 -1.18 -5.11 119.66 112.48 3eey s GLN 173 Ca 0.26 0.05 0.02 0.00 0.02 0.00 0.00 55.36 55.71 3eey s GLN 173 Cb 0.15 -3.19 0.13 0.00 1.00 0.00 0.00 33.01 31.10 3eey s GLN 173 CO 0.21 0.74 0.92 0.00 -2.12 0.00 0.00 175.29 175.04 3eey n ALA 174 N 1.87 0.39 -3.60 6.09 0.00 -1.26 -4.65 120.51 119.35 3eey n ALA 174 Ca -0.17 -1.91 -0.21 0.00 0.00 0.00 0.00 53.44 51.15 3eey n ALA 174 Cb 0.54 0.36 0.06 0.00 0.00 0.00 0.00 19.45 20.41 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 -2.80 -2.60 -3.39 0.00 5.15 -1.26 -4.07 115.26 106.29 3eey n ASN 175 Ca 0.16 -0.70 -0.11 0.00 -0.60 0.00 0.00 54.58 53.33 3eey n ASN 175 Cb 0.57 -4.61 0.00 0.00 -0.53 0.00 0.00 39.78 35.21 3eey n ASN 175 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3eey s PRO 177 N -3.93 4.29 0.42 0.00 0.04 -1.26 -4.70 135.00 129.87 3eey s PRO 177 Ca 0.02 2.13 -0.23 0.00 0.04 0.00 0.00 61.00 62.96 3eey s PRO 177 Cb -0.01 -3.26 -0.11 0.00 0.04 0.00 0.00 34.50 31.16 3eey s PRO 177 CO 0.82 -0.49 0.84 -2.30 0.04 0.00 0.00 177.00 175.91 3eey n PRO 178 N 4.11 1.03 -4.36 0.56 -0.02 -1.26 -4.85 135.00 130.21 3eey n PRO 178 Ca 0.12 0.37 -0.35 0.00 -2.02 0.00 0.00 63.50 61.63 3eey n PRO 178 Cb 0.42 -1.84 -0.10 0.00 -0.02 0.00 0.00 33.50 31.95 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 -1.34 4.24 -0.21 4.25 1.01 -0.60 -4.54 121.20 124.00 3eey s ILE 179 Ca 0.64 -0.26 -0.07 0.00 0.00 0.00 0.00 60.65 60.96 3eey s ILE 179 Cb -0.57 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 3eey s ILE 179 CO 0.57 0.57 0.06 -0.22 0.00 0.00 0.00 174.94 175.92 3eey s LEU 180 N -0.50 3.62 -0.10 2.97 2.96 -0.96 -0.24 118.68 126.43 3eey s LEU 180 Ca 0.09 -0.06 -0.00 0.00 -0.22 0.00 0.00 54.13 53.93 3eey s LEU 180 Cb -0.12 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 3eey s LEU 180 CO 0.02 0.08 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.36 3eey s VAL 181 N 0.93 3.59 -0.17 1.68 1.01 0.54 -0.38 120.40 127.60 3eey s VAL 181 Ca 0.04 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.53 3eey s VAL 181 Cb -0.14 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.76 3eey s VAL 181 CO 0.03 0.55 -0.21 0.00 0.00 0.00 0.00 175.10 175.47 3eey s ILE 183 N 1.15 3.94 -0.14 0.00 1.01 0.58 -0.65 121.20 127.09 3eey s ILE 183 Ca 0.01 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.36 3eey s ILE 183 Cb -0.14 -2.79 0.02 0.00 0.01 0.00 0.00 42.46 39.56 3eey s ILE 183 CO -0.10 0.41 -0.17 -0.70 0.00 0.00 0.00 174.94 174.39 3eey s GLU 184 N 1.16 2.47 0.02 2.79 2.12 -0.07 -0.01 118.70 127.18 3eey s GLU 184 Ca 0.03 -0.64 -0.30 0.00 0.36 0.00 0.00 54.97 54.42 3eey s GLU 184 Cb -0.14 -2.13 -0.05 0.00 0.26 0.00 0.00 34.13 32.06 3eey s GLU 184 CO 0.01 -0.13 1.22 0.21 -0.54 0.00 0.00 175.26 176.03 3eey s LYS 185 N 1.17 4.39 -0.00 4.30 2.20 -0.95 -0.95 119.74 129.91 3eey s LYS 185 Ca -0.01 1.77 0.03 0.00 -0.36 0.00 0.00 55.97 57.39 3eey s LYS 185 Cb -0.14 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 3eey s LYS 185 CO -0.06 -0.34 0.09 0.44 -0.36 0.00 0.00 175.35 175.12 3eey n ILE 186 N 4.18 0.00 -3.68 5.43 -5.35 0.69 -0.52 119.36 120.11 3eey n ILE 186 Ca 0.10 -0.25 -0.14 0.00 -0.27 0.00 0.00 62.75 62.19 3eey n ILE 186 Cb 0.46 0.72 -0.07 0.00 -1.74 0.00 0.00 39.64 39.00 3eey n ILE 186 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3eey s SER 187 N -1.81 -0.31 -0.60 7.28 0.01 -1.12 -4.89 113.70 112.25 3eey s SER 187 Ca -0.00 0.17 -0.21 0.00 1.31 0.00 0.00 55.95 57.22 3eey s SER 187 Cb 0.02 0.40 0.08 0.00 0.21 0.00 0.00 66.02 66.72 3eey s SER 187 CO 0.12 -0.56 0.82 -1.61 0.41 0.00 0.00 173.24 172.43 3eey s GLU 188 N -1.74 3.11 0.27 12.44 0.41 -1.26 -4.72 118.70 127.21 3eey s GLU 188 Ca -0.10 -0.95 0.08 0.00 -0.41 0.00 0.00 54.97 53.59 3eey s GLU 188 Cb -0.03 -4.20 -0.04 0.00 -1.78 0.00 0.00 34.13 28.08 3eey s GLU 188 CO 0.03 -1.60 0.14 -1.01 -0.49 0.00 0.00 175.26 172.32 3eey s HIS 192 N 3.37 2.94 0.39 1.61 3.76 -1.26 -5.03 115.29 121.08 3eey s HIS 192 Ca 0.18 -0.18 -0.24 0.00 -0.15 0.00 0.00 55.06 54.68 3eey s HIS 192 Cb -0.19 -1.38 -0.09 0.00 1.11 0.00 0.00 32.58 32.03 3eey s HIS 192 CO 0.10 0.52 1.01 -1.58 -0.85 0.00 0.00 174.74 173.94 3eey s HIS 193 N -2.22 3.35 0.00 1.40 2.46 -1.26 -5.40 115.29 113.62 3eey s HIS 193 Ca 0.33 1.66 0.00 0.00 0.47 0.00 0.00 55.06 57.53 3eey s HIS 193 Cb -0.07 -3.03 0.00 0.00 -0.13 0.00 0.00 32.58 29.35 3eey s HIS 193 CO 0.23 -0.38 0.42 0.72 -2.47 0.00 0.00 174.74 173.27