#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3eey s THR 2 N 0.00 0.03 0.04 1.96 2.01 -1.26 -5.13 115.64 113.30 3eey s THR 2 Ca 0.00 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.45 3eey s THR 2 Cb 0.00 -0.09 -0.08 0.00 0.01 0.00 0.00 72.50 72.34 3eey s THR 2 CO 0.00 -0.13 1.63 -0.63 -0.69 0.00 0.00 174.62 174.80 3eey s ILE 3 N -0.39 3.19 0.57 1.82 1.01 -1.26 -5.00 121.20 121.14 3eey s ILE 3 Ca -0.04 0.57 -0.12 0.00 0.00 0.00 0.00 60.65 61.06 3eey s ILE 3 Cb -0.03 -3.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.02 3eey s ILE 3 CO -0.00 -0.01 0.99 -0.54 0.00 0.00 0.00 174.94 175.38 3eey s LYS 4 N 2.87 3.71 1.10 2.79 1.02 -1.26 -5.08 119.74 124.90 3eey s LYS 4 Ca 0.73 0.76 -0.16 0.00 0.02 0.00 0.00 55.97 57.32 3eey s LYS 4 Cb -0.38 -2.13 0.24 0.00 -0.52 0.00 0.00 37.83 35.04 3eey s LYS 4 CO 0.31 -0.43 1.12 0.54 -0.92 0.00 0.00 175.35 175.98 3eey s ASN 5 N -3.78 1.82 0.17 2.83 2.20 -1.26 -4.68 114.94 112.24 3eey s ASN 5 Ca 0.56 0.82 -0.14 0.00 -0.94 0.00 0.00 52.86 53.15 3eey s ASN 5 Cb -0.11 -1.23 0.14 0.00 -2.00 0.00 0.00 41.25 38.06 3eey s ASN 5 CO 0.45 -3.58 1.73 0.28 -2.94 0.00 0.00 177.10 173.04 3eey h SER 6 N -2.21 0.05 -0.44 3.54 0.02 -1.95 0.32 113.55 112.88 3eey h SER 6 Ca -0.49 0.07 0.06 0.00 -0.84 0.00 0.00 61.79 60.59 3eey h SER 6 Cb 1.31 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.88 3eey h SER 6 CO 0.45 0.06 0.12 0.25 -1.14 0.00 0.00 176.83 176.57 3eey h LEU 7 N 0.25 0.08 -0.81 5.07 5.85 -1.93 0.00 115.31 123.82 3eey h LEU 7 Ca 0.22 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.91 3eey h LEU 7 Cb 0.26 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 3eey h LEU 7 CO -0.27 0.08 -0.12 1.23 -0.34 0.00 0.00 178.44 179.02 3eey h GLY 8 N 0.27 0.83 1.54 3.75 0.00 -1.76 -3.17 103.07 104.52 3eey h GLY 8 Ca 0.21 -0.63 -0.13 0.00 0.00 0.00 0.00 47.33 46.78 3eey h GLY 8 CO -0.25 0.58 -0.42 1.46 0.00 0.00 0.00 176.54 177.91 3eey h GLN 9 N 0.69 0.51 -0.66 4.80 4.20 -0.52 -2.87 115.11 121.26 3eey h GLN 9 Ca 0.12 -0.26 0.07 0.00 0.06 0.00 0.00 58.65 58.63 3eey h GLN 9 Cb 0.60 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.32 3eey h GLN 9 CO 0.04 0.84 0.35 0.66 -0.67 0.00 0.00 178.83 180.04 3eey h SER 10 N 0.42 0.48 -0.68 1.46 4.64 -0.98 -0.42 113.55 118.47 3eey h SER 10 Ca 0.03 0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.36 3eey h SER 10 Cb 0.91 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.92 3eey h SER 10 CO 0.08 0.30 0.28 0.45 -0.87 0.00 0.00 176.83 177.07 3eey h HIS 11 N 0.62 1.03 -0.72 4.77 3.86 -1.56 -1.51 115.15 121.64 3eey h HIS 11 Ca 0.31 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.43 3eey h HIS 11 Cb 0.25 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 3eey h HIS 11 CO -0.10 0.80 0.40 -0.44 0.86 0.00 0.00 177.93 179.45 3eey h ASP 12 N 0.97 0.89 -0.27 2.45 3.32 -1.21 -0.70 116.42 121.87 3eey h ASP 12 Ca 0.23 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 3eey h ASP 12 Cb 0.20 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3eey h ASP 12 CO -0.02 0.73 -0.11 1.88 -1.72 0.00 0.00 179.24 180.00 3eey h TYR 13 N 0.99 0.74 -0.23 4.55 -1.99 -0.96 -2.73 116.97 117.33 3eey h TYR 13 Ca 0.25 -0.13 -0.11 0.00 2.00 0.00 0.00 58.73 60.75 3eey h TYR 13 Cb 0.03 -0.19 -0.00 0.00 2.00 0.00 0.00 36.73 38.57 3eey h TYR 13 CO -0.00 0.76 -0.28 0.82 -0.00 0.00 0.00 178.16 179.45 3eey h ILE 14 N 0.62 1.32 -0.78 -2.88 1.08 -0.99 -3.09 117.51 112.79 3eey h ILE 14 Ca 0.11 -1.47 0.10 0.00 -0.39 0.00 0.00 64.86 63.20 3eey h ILE 14 Cb 0.55 1.73 -0.05 0.00 -3.07 0.00 0.00 36.82 35.98 3eey h ILE 14 CO 0.03 0.46 0.51 0.11 -0.69 0.00 0.00 178.15 178.57 3eey h LYS 15 N 0.30 0.69 -0.41 2.37 1.57 -1.11 0.36 116.57 120.33 3eey h LYS 15 Ca 0.03 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3eey h LYS 15 Cb 0.85 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 3eey h LYS 15 CO 0.07 0.45 0.25 0.52 -0.57 0.00 0.00 179.45 180.17 3eey h MET 16 N 0.71 0.55 0.00 3.15 2.86 -1.40 -3.35 114.93 117.45 3eey h MET 16 Ca 0.36 -0.04 -0.25 0.00 -2.06 0.00 0.00 59.70 57.71 3eey h MET 16 Cb 0.45 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 31.95 3eey h MET 16 CO -0.14 0.38 -1.93 1.19 1.06 0.00 0.00 176.91 177.48 3eey n PHE 17 N -4.45 0.00 -3.14 -0.22 3.72 -0.76 -4.96 117.46 107.65 3eey n PHE 17 Ca 0.03 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.03 3eey n PHE 17 Cb 0.08 -0.66 -0.06 0.00 -0.94 0.00 0.00 39.48 37.90 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 -2.33 5.03 0.52 -4.37 1.01 0.04 -5.03 120.40 115.28 3eey s VAL 18 Ca -0.11 1.14 0.04 0.00 0.00 0.00 0.00 61.98 63.05 3eey s VAL 18 Cb 0.05 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.51 3eey s VAL 18 CO 0.50 0.11 0.23 -1.59 0.00 0.00 0.00 175.10 174.35 3eey s LYS 19 N 1.94 2.23 0.22 2.72 -2.85 -1.26 -4.82 119.74 117.92 3eey s LYS 19 Ca 0.28 -2.15 -0.30 0.00 -1.00 0.00 0.00 55.97 52.80 3eey s LYS 19 Cb -0.16 -1.87 -0.09 0.00 -2.06 0.00 0.00 37.83 33.66 3eey s LYS 19 CO 0.10 -0.47 1.17 -1.21 0.10 0.00 0.00 175.35 175.04 3eey s GLU 20 N -4.09 4.53 0.00 1.78 2.02 -1.24 -3.16 118.70 118.53 3eey s GLU 20 Ca 0.24 1.87 0.00 0.00 0.02 0.00 0.00 54.97 57.10 3eey s GLU 20 Cb -0.00 -3.22 0.00 0.00 0.10 0.00 0.00 34.13 31.01 3eey s GLU 20 CO 0.14 -0.00 0.00 0.41 0.02 0.00 0.00 175.26 175.83 3eey n GLY 21 N 1.81 0.56 3.80 -1.39 0.00 0.39 -4.96 105.19 105.40 3eey n GLY 21 Ca 0.02 0.00 -0.31 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 -2.64 4.84 -0.22 1.61 1.01 -1.19 -4.41 116.67 115.68 3eey s ASP 22 Ca 0.00 1.56 -0.06 0.00 0.71 0.00 0.00 52.55 54.75 3eey s ASP 22 Cb 0.00 -2.35 -0.03 0.00 1.01 0.00 0.00 42.92 41.55 3eey s ASP 22 CO 0.00 -1.78 0.04 -0.89 0.21 0.00 0.00 175.17 172.75 3eey s THR 23 N -3.04 4.27 0.22 -1.27 2.01 -1.26 -1.90 115.64 114.67 3eey s THR 23 Ca 0.60 -0.20 0.05 0.00 0.31 0.00 0.00 61.69 62.45 3eey s THR 23 Cb -0.15 -2.96 -0.05 0.00 0.01 0.00 0.00 72.50 69.35 3eey s THR 23 CO 0.55 0.40 -0.05 0.68 -0.69 0.00 0.00 174.62 175.51 3eey s VAL 24 N 1.13 1.28 -0.05 3.82 -7.23 -0.32 -0.41 120.40 118.63 3eey s VAL 24 Ca 0.04 -2.08 0.03 0.00 -1.81 0.00 0.00 61.98 58.15 3eey s VAL 24 Cb -0.14 -2.23 0.01 0.00 0.56 0.00 0.00 36.38 34.57 3eey s VAL 24 CO 0.03 -0.44 -0.11 -0.69 -0.31 0.00 0.00 175.10 173.58 3eey s VAL 25 N -3.26 1.00 -0.44 1.32 1.01 -0.22 -1.49 120.40 118.33 3eey s VAL 25 Ca 0.26 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 61.67 3eey s VAL 25 Cb 0.04 -0.90 0.06 0.00 0.00 0.00 0.00 36.38 35.58 3eey s VAL 25 CO 0.08 0.31 0.32 -0.62 0.00 0.00 0.00 175.10 175.19 3eey s ASP 26 N 0.45 5.94 0.07 3.32 -1.08 0.59 -1.05 116.67 124.90 3eey s ASP 26 Ca -0.09 -1.30 0.28 0.00 -0.52 0.00 0.00 52.55 50.92 3eey s ASP 26 Cb -0.13 -2.10 1.03 0.00 -1.46 0.00 0.00 42.92 40.26 3eey s ASP 26 CO 0.02 -0.56 1.83 0.00 0.52 0.00 0.00 175.17 176.97 3eey n ALA 27 N 5.09 2.42 -3.40 3.66 0.00 -0.39 -1.70 120.51 126.19 3eey n ALA 27 Ca -0.11 -0.10 -0.27 0.00 0.00 0.00 0.00 53.44 52.96 3eey n ALA 27 Cb 0.44 -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 -3.04 0.23 0.11 0.00 -4.23 -1.24 -4.57 115.64 102.90 3eey s THR 28 Ca 0.12 -2.29 -0.26 0.00 -1.18 0.00 0.00 61.69 58.08 3eey s THR 28 Cb 0.17 -1.17 -0.08 0.00 1.34 0.00 0.00 72.50 72.76 3eey s THR 28 CO 0.57 -1.12 1.64 0.00 -0.54 0.00 0.00 174.62 175.17 3eey n GLY 30 N -1.36 3.85 0.01 0.00 0.00 -1.26 -1.56 105.19 104.86 3eey n GLY 30 Ca -0.06 -0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.09 3eey n GLY 30 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3eey n ASN 31 N 6.24 0.24 0.00 1.61 3.02 -1.26 -4.40 115.26 120.71 3eey n ASN 31 Ca 0.00 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 3eey n ASN 31 Cb 0.00 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 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 1.48 1.01 0.12 7.41 0.00 -0.60 -3.90 105.19 110.71 3eey n GLY 32 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 3eey n GLY 32 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3eey h ASN 33 N 0.00 -0.18 -0.07 1.61 2.35 -1.93 -0.25 115.58 117.12 3eey h ASN 33 Ca 0.00 -0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 3eey h ASN 33 Cb 0.00 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3eey h ASN 33 CO 0.00 -0.11 -0.15 0.44 -1.65 0.00 0.00 177.43 175.95 3eey h ASP 34 N -0.22 0.40 -0.28 5.81 3.32 -1.94 -1.66 116.42 121.85 3eey h ASP 34 Ca -0.02 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 3eey h ASP 34 Cb 0.17 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3eey h ASP 34 CO 0.03 0.58 0.11 0.74 -1.72 0.00 0.00 179.24 178.99 3eey h THR 35 N 0.38 1.17 -0.44 0.35 2.02 -1.80 0.62 112.91 115.22 3eey h THR 35 Ca 0.07 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 3eey h THR 35 Cb 0.50 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 3eey h THR 35 CO 0.03 0.18 0.21 0.00 0.37 0.00 0.00 175.52 176.31 3eey h ALA 36 N 0.96 0.57 -0.31 6.16 0.00 -0.96 -0.49 119.26 125.18 3eey h ALA 36 Ca 0.09 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3eey h ALA 36 Cb 0.17 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3eey h ALA 36 CO -0.01 0.13 0.05 0.35 0.00 0.00 0.00 179.25 179.77 3eey h PHE 37 N 0.57 0.08 -0.63 0.00 3.57 -1.17 -1.32 116.94 118.03 3eey h PHE 37 Ca 0.15 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.61 3eey h PHE 37 Cb 0.13 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 3eey h PHE 37 CO -0.01 0.00 0.15 -0.07 -2.23 0.00 0.00 178.31 176.15 3eey h LEU 38 N 0.15 0.94 -1.00 0.59 3.38 -0.70 -2.91 115.31 115.77 3eey h LEU 38 Ca 0.15 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3eey h LEU 38 Cb 0.17 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3eey h LEU 38 CO -0.21 0.91 0.23 0.00 0.09 0.00 0.00 178.44 179.47 3eey h ALA 39 N 1.20 1.20 -0.04 1.53 0.00 -0.74 -2.63 119.26 119.80 3eey h ALA 39 Ca 0.20 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3eey h ALA 39 Cb 0.35 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3eey h ALA 39 CO 0.00 0.57 -0.65 0.66 0.00 0.00 0.00 179.25 179.83 3eey h SER 40 N 0.93 0.17 0.77 0.00 4.64 -1.16 -2.97 113.55 115.94 3eey h SER 40 Ca 0.21 -0.11 -0.13 0.00 -0.47 0.00 0.00 61.79 61.30 3eey h SER 40 Cb 0.22 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 3eey h SER 40 CO -0.01 0.77 -0.60 -0.07 -0.87 0.00 0.00 176.83 176.05 3eey h LEU 41 N 0.11 0.00 0.00 5.97 3.38 -1.35 -3.34 115.31 120.07 3eey h LEU 41 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3eey h LEU 41 Cb 1.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 3eey h LEU 41 CO 0.09 0.60 -1.45 0.55 0.09 0.00 0.00 178.44 178.33 3eey n VAL 42 N -3.64 0.46 -4.14 1.22 3.14 -1.00 -3.72 118.33 110.64 3eey n VAL 42 Ca -0.01 -0.55 0.00 0.00 -2.96 0.00 0.00 64.34 60.82 3eey n VAL 42 Cb 0.64 -0.25 0.00 0.00 -1.06 0.00 0.00 33.84 33.17 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 1.24 -1.63 0.26 7.55 0.00 -1.13 -0.46 105.19 111.03 3eey n GLY 43 Ca -0.03 -1.32 -0.11 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 0.86 -0.30 1.61 4.81 -1.95 -3.20 114.58 116.41 3eey h GLU 44 Ca 0.00 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 3eey h GLU 44 Cb 0.00 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3eey h GLU 44 CO 0.00 1.06 0.00 0.09 -0.73 0.00 0.00 179.01 179.43 3eey n ASN 45 N -4.07 2.54 -4.91 1.04 3.02 -1.26 -4.87 115.26 106.74 3eey n ASN 45 Ca -0.01 -1.87 -0.21 0.00 -0.03 0.00 0.00 54.58 52.46 3eey n ASN 45 Cb 0.51 -0.19 0.06 0.00 -0.61 0.00 0.00 39.78 39.54 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 -1.46 1.80 -0.02 7.41 0.00 -1.21 -4.62 107.32 109.23 3eey s GLY 46 Ca 0.35 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 43.32 3eey s GLY 46 CO 0.28 -1.35 0.01 -1.60 0.00 0.00 0.00 173.10 170.43 3eey s ARG 47 N -4.76 0.12 -0.16 2.90 6.06 -0.80 -4.77 118.95 117.53 3eey s ARG 47 Ca 0.61 0.08 0.00 0.00 -2.50 0.00 0.00 55.73 53.92 3eey s ARG 47 Cb -0.07 -0.28 0.00 0.00 0.06 0.00 0.00 34.95 34.66 3eey s ARG 47 CO 0.39 -0.10 -0.16 0.08 -2.50 0.00 0.00 175.30 173.02 3eey s VAL 48 N 0.73 2.56 -0.21 7.11 1.01 -0.47 -1.17 120.40 129.96 3eey s VAL 48 Ca -0.07 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 60.99 3eey s VAL 48 Cb -0.10 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 3eey s VAL 48 CO -0.02 0.51 0.24 -0.36 0.00 0.00 0.00 175.10 175.47 3eey s PHE 49 N 0.96 3.37 -0.02 5.22 0.08 -0.56 -0.34 117.98 126.68 3eey s PHE 49 Ca -0.03 0.40 0.06 0.00 0.12 0.00 0.00 56.93 57.48 3eey s PHE 49 Cb -0.15 -2.33 -0.02 0.00 -0.57 0.00 0.00 43.02 39.95 3eey s PHE 49 CO -0.03 0.10 -0.20 0.20 -0.10 0.00 0.00 175.22 175.19 3eey s GLY 50 N 0.86 1.42 -0.02 4.36 0.00 -0.17 -0.30 107.32 113.48 3eey s GLY 50 Ca 0.12 -1.08 0.03 0.00 0.00 0.00 0.00 44.72 43.79 3eey s GLY 50 CO 0.04 -0.89 -0.12 -1.36 0.00 0.00 0.00 173.10 170.77 3eey s PHE 51 N -0.70 1.11 0.16 1.90 0.08 -0.69 -0.47 117.98 119.36 3eey s PHE 51 Ca 0.11 -0.24 -0.23 0.00 0.12 0.00 0.00 56.93 56.69 3eey s PHE 51 Cb -0.10 -0.74 0.07 0.00 -0.57 0.00 0.00 43.02 41.67 3eey s PHE 51 CO 0.00 -0.06 0.59 0.34 -0.10 0.00 0.00 175.22 175.99 3eey s ASP 52 N -0.09 -0.54 0.00 1.36 -1.08 -1.11 -0.58 116.67 114.62 3eey s ASP 52 Ca 0.01 -0.03 0.22 0.00 -0.52 0.00 0.00 52.55 52.22 3eey s ASP 52 Cb -0.07 0.60 0.07 0.00 -1.46 0.00 0.00 42.92 42.06 3eey s ASP 52 CO 0.00 -0.97 1.11 2.30 0.52 0.00 0.00 175.17 178.13 3eey n ILE 53 N -0.37 0.00 -4.50 4.11 -5.35 -1.26 -2.42 119.36 109.57 3eey n ILE 53 Ca -0.17 -0.38 -0.34 0.00 -0.27 0.00 0.00 62.75 61.59 3eey n ILE 53 Cb 0.65 1.34 -0.10 0.00 -1.74 0.00 0.00 39.64 39.79 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 -2.11 2.86 0.26 6.28 -0.21 -1.26 -4.97 119.66 120.51 3eey s GLN 54 Ca 0.21 -0.48 0.03 0.00 0.02 0.00 0.00 55.36 55.15 3eey s GLN 54 Cb 0.18 -2.69 0.33 0.00 1.00 0.00 0.00 33.01 31.83 3eey s GLN 54 CO 0.42 0.68 1.64 -0.44 -2.12 0.00 0.00 175.29 175.47 3eey h ASP 55 N 5.20 0.38 -0.72 5.90 3.32 -2.00 -2.74 116.42 125.77 3eey h ASP 55 Ca -0.50 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.31 3eey h ASP 55 Cb 1.18 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 3eey h ASP 55 CO 0.53 0.78 0.20 0.50 -1.72 0.00 0.00 179.24 179.53 3eey h LYS 56 N 0.29 1.14 -0.13 3.56 3.64 -1.99 -2.25 116.57 120.84 3eey h LYS 56 Ca 0.02 -0.26 -0.19 0.00 -1.27 0.00 0.00 60.65 58.95 3eey h LYS 56 Cb 0.90 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 3eey h LYS 56 CO 0.07 0.98 -0.71 0.00 -2.27 0.00 0.00 179.45 177.53 3eey h ALA 57 N 1.12 0.52 -0.57 5.00 0.00 -1.79 -2.21 119.26 121.33 3eey h ALA 57 Ca 0.23 -0.59 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 3eey h ALA 57 Cb 0.34 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3eey h ALA 57 CO -0.00 0.72 -0.04 0.82 0.00 0.00 0.00 179.25 180.75 3eey h ILE 58 N 0.40 1.27 -0.34 0.00 1.08 -1.44 -2.20 117.51 116.29 3eey h ILE 58 Ca -0.03 -1.19 -0.12 0.00 -0.39 0.00 0.00 64.86 63.13 3eey h ILE 58 Cb 1.30 0.87 -0.01 0.00 -3.07 0.00 0.00 36.82 35.91 3eey h ILE 58 CO 0.13 0.43 -0.25 0.00 -0.69 0.00 0.00 178.15 177.78 3eey h ALA 59 N 1.00 0.48 -0.41 1.87 0.00 -1.39 -0.63 119.26 120.19 3eey h ALA 59 Ca 0.16 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 3eey h ALA 59 Cb 0.60 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3eey h ALA 59 CO 0.04 0.47 -0.10 -0.91 0.00 0.00 0.00 179.25 178.75 3eey h ASN 60 N 0.54 0.70 -0.32 0.00 2.35 -1.41 -0.94 115.58 116.49 3eey h ASN 60 Ca 0.06 -0.20 -0.16 0.00 -0.55 0.00 0.00 56.30 55.46 3eey h ASN 60 Cb 0.81 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 3eey h ASN 60 CO 0.07 0.84 -0.41 0.74 -1.65 0.00 0.00 177.43 177.01 3eey h THR 61 N 0.65 1.28 -0.53 2.81 2.02 -1.32 -1.65 112.91 116.16 3eey h THR 61 Ca 0.11 -1.58 -0.02 0.00 0.77 0.00 0.00 66.41 65.69 3eey h THR 61 Cb 0.56 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.38 3eey h THR 61 CO 0.03 0.52 0.26 0.74 0.37 0.00 0.00 175.52 177.45 3eey h THR 62 N 0.71 1.20 -0.19 3.16 2.02 -0.94 -1.71 112.91 117.15 3eey h THR 62 Ca 0.05 -0.56 -0.02 0.00 0.77 0.00 0.00 66.41 66.66 3eey h THR 62 Cb 0.99 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 3eey h THR 62 CO 0.10 0.22 0.06 0.50 0.37 0.00 0.00 175.52 176.76 3eey h LYS 63 N 0.71 0.30 -0.10 6.66 3.64 -1.14 -2.12 116.57 124.53 3eey h LYS 63 Ca 0.18 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.54 3eey h LYS 63 Cb 0.12 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.84 3eey h LYS 63 CO -0.02 0.41 -0.26 0.87 -2.27 0.00 0.00 179.45 178.17 3eey h LYS 64 N 0.13 -0.34 -0.17 1.90 1.79 -1.21 -1.87 116.57 116.80 3eey h LYS 64 Ca 0.06 0.02 -0.11 0.00 -2.18 0.00 0.00 60.65 58.44 3eey h LYS 64 Cb 0.24 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 3eey h LYS 64 CO -0.00 -0.23 -0.37 -0.07 -1.08 0.00 0.00 179.45 177.70 3eey h LEU 65 N -0.35 0.37 -0.41 2.94 3.38 -1.28 -2.57 115.31 117.38 3eey h LEU 65 Ca 0.09 -0.15 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 3eey h LEU 65 Cb 0.49 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3eey h LEU 65 CO -0.30 0.72 -0.52 0.74 0.09 0.00 0.00 178.44 179.17 3eey h THR 66 N 0.30 1.29 -0.15 0.22 2.02 -1.32 0.21 112.91 115.49 3eey h THR 66 Ca 0.03 -1.73 -0.02 0.00 0.77 0.00 0.00 66.41 65.47 3eey h THR 66 Cb 0.80 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 3eey h THR 66 CO 0.06 0.55 0.02 0.44 0.37 0.00 0.00 175.52 176.97 3eey h ASP 67 N 0.58 0.19 -0.44 4.18 3.32 -1.14 -3.00 116.42 120.11 3eey h ASP 67 Ca 0.02 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3eey h ASP 67 Cb 1.10 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.60 3eey h ASP 67 CO 0.11 0.22 0.00 0.18 -1.72 0.00 0.00 179.24 178.03 3eey n LEU 68 N -4.43 3.39 -2.70 1.55 4.77 -0.99 -4.97 117.00 113.62 3eey n LEU 68 Ca -0.01 -1.68 -0.16 0.00 -0.03 0.00 0.00 56.01 54.13 3eey n LEU 68 Cb 0.14 -0.29 0.06 0.00 -2.33 0.00 0.00 43.42 41.00 3eey n LEU 68 CO 0.36 0.78 0.15 -3.20 -1.33 0.00 0.00 177.39 174.15 3eey n ASN 69 N 1.30 -4.36 0.00 -1.43 5.15 -0.99 -4.95 115.26 109.99 3eey n ASN 69 Ca 0.18 -0.40 0.00 0.00 -0.60 0.00 0.00 54.58 53.77 3eey n ASN 69 Cb 0.55 -3.73 0.00 0.00 -0.53 0.00 0.00 39.78 36.07 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 -3.58 0.62 0.23 1.20 4.77 0.71 -4.80 117.00 116.16 3eey n LEU 70 Ca -0.05 -0.62 0.16 0.00 -0.03 0.00 0.00 56.01 55.47 3eey n LEU 70 Cb 0.56 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 42.27 3eey n LEU 70 CO 0.45 0.16 0.95 -0.29 -1.33 0.00 0.00 177.39 177.33 3eey h ILE 71 N 0.76 0.00 -0.43 -0.08 6.09 -1.85 -3.31 117.51 118.70 3eey h ILE 71 Ca 0.00 -0.44 0.02 0.00 -1.37 0.00 0.00 64.86 63.07 3eey h ILE 71 Cb 0.38 1.36 -0.03 0.00 0.47 0.00 0.00 36.82 39.00 3eey h ILE 71 CO 0.00 0.00 0.24 0.44 -3.07 0.00 0.00 178.15 175.76 3eey h ASP 72 N 0.00 0.38 -0.70 2.19 3.32 -1.90 -2.92 116.42 116.79 3eey h ASP 72 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3eey h ASP 72 Cb 0.48 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3eey h ASP 72 CO 0.00 0.27 0.00 0.54 -1.72 0.00 0.00 179.24 178.33 3eey n ARG 73 N -4.87 3.10 -4.27 3.56 5.12 -1.24 -4.92 116.66 113.14 3eey n ARG 73 Ca 0.02 -2.72 -0.34 0.00 -1.93 0.00 0.00 57.85 52.88 3eey n ARG 73 Cb 0.08 -1.70 -0.12 0.00 -1.16 0.00 0.00 32.46 29.56 3eey n ARG 73 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3eey s VAL 74 N -1.35 3.86 -0.40 1.55 1.01 -1.10 -1.36 120.40 122.60 3eey s VAL 74 Ca 0.50 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 62.00 3eey s VAL 74 Cb 0.28 -2.71 0.05 0.00 0.00 0.00 0.00 36.38 34.00 3eey s VAL 74 CO 0.30 0.47 0.25 -0.89 0.00 0.00 0.00 175.10 175.23 3eey s THR 75 N 0.64 4.63 -0.15 3.92 2.01 0.54 -4.97 115.64 122.25 3eey s THR 75 Ca -0.02 -1.01 -0.17 0.00 0.31 0.00 0.00 61.69 60.80 3eey s THR 75 Cb -0.14 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 3eey s THR 75 CO 0.02 -0.35 0.45 -0.76 -0.69 0.00 0.00 174.62 173.29 3eey s LEU 76 N 1.54 4.24 -0.13 4.42 1.43 -1.26 -1.00 118.68 127.92 3eey s LEU 76 Ca 0.03 0.72 0.01 0.00 -1.03 0.00 0.00 54.13 53.86 3eey s LEU 76 Cb -0.21 -2.64 0.02 0.00 0.03 0.00 0.00 46.19 43.39 3eey s LEU 76 CO 0.06 -0.03 -0.17 -0.63 0.23 0.00 0.00 176.35 175.81 3eey s ILE 77 N 0.86 1.68 -1.25 -0.59 1.01 0.38 -4.96 121.20 118.32 3eey s ILE 77 Ca 0.24 -0.73 -0.11 0.00 0.00 0.00 0.00 60.65 60.04 3eey s ILE 77 Cb -0.15 -1.53 0.17 0.00 0.01 0.00 0.00 42.46 40.96 3eey s ILE 77 CO 0.09 0.48 1.67 1.17 0.00 0.00 0.00 174.94 178.35 3eey n LYS 78 N 4.36 3.50 -3.84 2.79 4.81 -1.26 -2.73 118.16 125.79 3eey n LYS 78 Ca -0.19 -3.67 -0.10 0.00 -0.87 0.00 0.00 58.31 53.49 3eey n LYS 78 Cb 0.51 -2.99 -0.06 0.00 0.02 0.00 0.00 35.03 32.51 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 1.81 -0.07 0.54 3.14 -1.08 -1.01 -4.93 116.67 115.08 3eey s ASP 79 Ca 0.41 -0.65 -0.21 0.00 -0.52 0.00 0.00 52.55 51.59 3eey s ASP 79 Cb 0.04 0.46 -0.05 0.00 -1.46 0.00 0.00 42.92 41.91 3eey s ASP 79 CO 0.00 -0.90 1.23 -0.83 0.52 0.00 0.00 175.17 175.19 3eey s GLY 80 N -2.90 2.79 0.54 2.66 0.00 -1.26 -3.57 107.32 105.57 3eey s GLY 80 Ca 0.11 1.07 0.31 0.00 0.00 0.00 0.00 44.72 46.21 3eey s GLY 80 CO -0.04 1.51 2.04 1.12 0.00 0.00 0.00 173.10 177.72 3eey h HIS 81 N 1.35 0.00 0.00 1.90 2.07 -1.92 -2.04 115.15 116.52 3eey h HIS 81 Ca -0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.02 3eey h HIS 81 Cb 1.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.26 3eey h HIS 81 CO 0.48 0.09 0.01 -0.56 -3.07 0.00 0.00 177.93 174.88 3eey h GLN 82 N 0.00 0.00 -0.42 5.12 -0.00 -1.91 -2.32 115.11 115.59 3eey h GLN 82 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.61 3eey h GLN 82 Cb 0.43 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.89 3eey h GLN 82 CO 0.01 0.00 0.03 0.09 -0.00 0.00 0.00 178.83 178.96 3eey n ASN 83 N -2.73 4.47 0.28 0.06 3.02 -0.77 -4.61 115.26 114.98 3eey n ASN 83 Ca -0.02 -3.07 0.15 0.00 -0.03 0.00 0.00 54.58 51.61 3eey n ASN 83 Cb 0.06 -0.62 0.83 0.00 -0.61 0.00 0.00 39.78 39.44 3eey n ASN 83 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3eey h MET 84 N 2.50 0.00 0.00 3.52 -0.00 -1.56 -2.33 114.93 117.06 3eey h MET 84 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.75 3eey h MET 84 Cb 1.73 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.33 3eey h MET 84 CO 0.38 0.07 0.00 0.38 -0.00 0.00 0.00 176.91 177.74 3eey h ASP 85 N 0.00 0.00 1.13 -0.10 2.03 -1.84 -2.53 116.42 115.11 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 0.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.77 3eey h ASP 85 CO 0.01 0.00 0.00 0.11 -1.03 0.00 0.00 179.24 178.33 3eey h LYS 86 N 0.00 0.00 0.00 4.15 1.57 -1.80 -3.33 116.57 117.16 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 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3eey h LYS 86 CO 0.00 0.00 -1.10 0.66 -0.57 0.00 0.00 179.45 178.44 3eey n TYR 87 N -2.69 0.00 -5.12 -1.35 4.01 -1.05 -5.00 117.16 105.97 3eey n TYR 87 Ca 0.02 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.46 3eey n TYR 87 Cb 0.33 -0.07 -0.17 0.00 -0.31 0.00 0.00 39.34 39.12 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 -2.17 1.89 0.00 -0.72 1.01 -0.98 -4.99 121.20 115.23 3eey s ILE 88 Ca -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.70 3eey s ILE 88 Cb 0.02 -1.63 0.00 0.00 0.01 0.00 0.00 42.46 40.86 3eey s ILE 88 CO 0.13 0.52 0.00 -0.90 0.00 0.00 0.00 174.94 174.70 3eey n ASP 89 N 3.40 1.12 -4.90 3.58 5.75 -1.26 -4.66 116.55 119.58 3eey n ASP 89 Ca -0.19 -0.22 -0.28 0.00 -0.01 0.00 0.00 54.79 54.09 3eey n ASP 89 Cb 0.53 0.67 -0.02 0.00 -1.03 0.00 0.00 41.12 41.27 3eey n ASP 89 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3eey s PRO 91 N -4.27 4.34 0.07 0.00 0.02 -1.26 -4.96 135.00 128.95 3eey s PRO 91 Ca 0.48 2.15 0.01 0.00 0.02 0.00 0.00 61.00 63.65 3eey s PRO 91 Cb -0.10 -3.16 -0.04 0.00 0.02 0.00 0.00 34.50 31.22 3eey s PRO 91 CO 0.38 -0.31 0.17 0.14 -0.33 0.00 0.00 177.00 177.05 3eey s VAL 92 N 0.06 5.11 -0.02 3.83 -7.23 -0.01 -4.71 120.40 117.42 3eey s VAL 92 Ca 0.58 -0.52 -0.07 0.00 -1.81 0.00 0.00 61.98 60.15 3eey s VAL 92 Cb -0.38 -3.49 -0.29 0.00 0.56 0.00 0.00 36.38 32.78 3eey s VAL 92 CO 0.40 0.13 0.76 0.50 -0.31 0.00 0.00 175.10 176.58 3eey h LYS 93 N 3.13 0.33 -3.05 4.82 1.63 -1.06 -0.94 116.57 121.43 3eey h LYS 93 Ca -0.46 -0.56 -0.11 0.00 -0.85 0.00 0.00 60.65 58.67 3eey h LYS 93 Cb 1.16 0.21 -0.19 0.00 -0.60 0.00 0.00 32.23 32.81 3eey h LYS 93 CO 0.73 1.22 -0.25 0.00 -3.45 0.00 0.00 179.45 177.69 3eey s ALA 94 N -2.60 -0.80 -0.03 5.00 0.00 -1.26 -1.19 121.76 120.89 3eey s ALA 94 Ca -0.12 0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.15 3eey s ALA 94 Cb 0.06 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.32 3eey s ALA 94 CO 0.86 -0.30 -0.04 0.08 0.00 0.00 0.00 175.76 176.36 3eey s VAL 95 N -1.59 0.43 -0.17 0.00 1.01 -0.62 -1.05 120.40 118.41 3eey s VAL 95 Ca -0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 3eey s VAL 95 Cb -0.04 -0.44 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 3eey s VAL 95 CO 0.03 0.17 -0.05 -0.04 0.00 0.00 0.00 175.10 175.21 3eey s MET 96 N 0.57 3.52 -0.11 2.72 -1.94 -0.22 -1.57 119.30 122.28 3eey s MET 96 Ca -0.07 -0.59 0.00 0.00 -1.71 0.00 0.00 55.69 53.33 3eey s MET 96 Cb -0.10 -2.90 -0.02 0.00 2.01 0.00 0.00 34.83 33.82 3eey s MET 96 CO -0.00 0.08 -0.11 -0.06 -0.01 0.00 0.00 175.02 174.92 3eey s PHE 97 N 0.76 2.84 -0.29 -0.03 0.08 0.55 -1.26 117.98 120.64 3eey s PHE 97 Ca -0.02 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.65 3eey s PHE 97 Cb -0.15 -1.80 0.09 0.00 -0.57 0.00 0.00 43.02 40.60 3eey s PHE 97 CO 0.02 -0.01 0.05 1.21 -0.10 0.00 0.00 175.22 176.39 3eey s ASN 98 N -0.06 4.03 -0.14 1.36 3.84 -1.26 -1.11 114.94 121.60 3eey s ASN 98 Ca -0.01 -1.57 -0.17 0.00 0.21 0.00 0.00 52.86 51.31 3eey s ASN 98 Cb -0.14 -1.04 -0.04 0.00 -0.55 0.00 0.00 41.25 39.48 3eey s ASN 98 CO 0.03 -0.36 0.44 -0.76 -2.79 0.00 0.00 177.10 173.66 3eey s LEU 99 N 1.46 4.24 0.00 3.21 1.43 -0.11 -4.89 118.68 124.03 3eey s LEU 99 Ca 0.06 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 3eey s LEU 99 Cb -0.18 -2.62 0.00 0.00 0.03 0.00 0.00 46.19 43.42 3eey s LEU 99 CO -0.17 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.02 3eey n GLY 100 N 3.42 0.36 3.96 -3.19 0.00 -1.26 -2.71 105.19 105.76 3eey n GLY 100 Ca -0.08 -1.38 -0.19 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.82 2.96 -0.02 1.61 1.13 -1.26 -2.55 117.35 115.40 3eey s TYR 101 Ca 0.00 -0.31 -0.30 0.00 -1.41 0.00 0.00 57.07 55.05 3eey s TYR 101 Cb 0.00 -2.08 -0.06 0.00 -1.10 0.00 0.00 41.96 38.72 3eey s TYR 101 CO 0.00 -0.10 1.52 -1.17 -2.51 0.00 0.00 175.55 173.29 3eey s LEU 102 N -4.19 4.31 0.24 -3.49 2.96 -1.26 -5.00 118.68 112.26 3eey s LEU 102 Ca 0.47 2.18 -0.30 0.00 -0.22 0.00 0.00 54.13 56.26 3eey s LEU 102 Cb -0.08 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 42.96 3eey s LEU 102 CO 0.31 -0.83 1.43 -2.16 -1.32 0.00 0.00 176.35 173.78 3eey s PRO 103 N 3.12 4.27 -1.52 0.98 0.04 -1.26 -2.40 135.00 138.24 3eey s PRO 103 Ca 0.68 2.28 -0.03 0.00 0.04 0.00 0.00 61.00 63.98 3eey s PRO 103 Cb -0.33 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.10 3eey s PRO 103 CO 0.27 -0.41 0.36 0.43 0.04 0.00 0.00 177.00 177.69 3eey n SER 104 N 2.41 -5.72 -0.37 6.66 7.64 -1.26 -4.95 113.62 118.03 3eey n SER 104 Ca 0.07 -0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.77 3eey n SER 104 Cb 0.40 -4.62 0.00 0.00 -1.01 0.00 0.00 64.21 58.99 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 -1.31 4.56 3.62 0.23 0.00 -1.01 -5.11 105.19 106.18 3eey n GLY 105 Ca -0.15 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 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 0.31 6.18 0.52 1.61 -1.08 -1.26 -4.90 116.67 118.06 3eey s ASP 106 Ca 0.00 1.64 0.31 0.00 -0.52 0.00 0.00 52.55 53.98 3eey s ASP 106 Cb 0.00 -2.53 1.20 0.00 -1.46 0.00 0.00 42.92 40.13 3eey s ASP 106 CO 0.00 -1.42 1.92 0.45 0.52 0.00 0.00 175.17 176.65 3eey h HIS 107 N 11.64 0.00 0.00 -5.34 3.86 -1.99 -3.09 115.15 120.23 3eey h HIS 107 Ca -0.35 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 3eey h HIS 107 Cb 1.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.64 3eey h HIS 107 CO 0.93 0.04 -0.62 0.66 0.86 0.00 0.00 177.93 179.79 3eey h SER 108 N 0.00 0.00 -2.85 2.45 4.64 -1.98 -3.43 113.55 112.38 3eey h SER 108 Ca -0.00 -0.08 -0.69 0.00 -0.47 0.00 0.00 61.79 60.55 3eey h SER 108 Cb 0.60 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.50 3eey h SER 108 CO 0.01 0.04 0.28 -0.63 -0.87 0.00 0.00 176.83 175.66 3eey s ILE 109 N -3.25 4.76 0.19 0.95 1.01 -1.17 -5.01 121.20 118.69 3eey s ILE 109 Ca 0.04 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.66 3eey s ILE 109 Cb 0.10 -4.56 -0.05 0.00 0.01 0.00 0.00 42.46 37.97 3eey s ILE 109 CO 0.73 -1.23 0.07 -0.94 0.00 0.00 0.00 174.94 173.57 3eey s SER 110 N 3.55 0.80 0.42 3.58 1.04 -1.26 -4.19 113.70 117.65 3eey s SER 110 Ca 0.16 -1.28 -0.26 0.00 0.48 0.00 0.00 55.95 55.05 3eey s SER 110 Cb -0.20 0.22 -0.09 0.00 0.10 0.00 0.00 66.02 66.05 3eey s SER 110 CO 0.04 -0.70 1.42 0.42 0.98 0.00 0.00 173.24 175.40 3eey s THR 111 N -3.87 2.17 0.00 2.02 -4.23 -1.06 -4.99 115.64 105.68 3eey s THR 111 Ca 0.31 0.15 0.03 0.00 -1.18 0.00 0.00 61.69 61.01 3eey s THR 111 Cb 0.07 -3.09 -0.03 0.00 1.34 0.00 0.00 72.50 70.78 3eey s THR 111 CO 0.08 0.03 -0.07 -0.13 -0.54 0.00 0.00 174.62 173.98 3eey s ARG 112 N -2.31 2.54 0.18 3.99 0.52 -1.26 -4.83 118.95 117.78 3eey s ARG 112 Ca 0.58 -0.72 -0.14 0.00 -0.52 0.00 0.00 55.73 54.92 3eey s ARG 112 Cb -0.43 -2.49 0.17 0.00 0.52 0.00 0.00 34.95 32.72 3eey s ARG 112 CO 0.57 0.60 1.67 -1.35 0.02 0.00 0.00 175.30 176.81 3eey h PRO 113 N 4.58 0.06 -0.27 3.54 0.11 -1.92 -0.90 132.00 137.20 3eey h PRO 113 Ca -0.48 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.68 3eey h PRO 113 Cb 1.17 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.20 3eey h PRO 113 CO 0.53 0.04 -0.12 0.93 -0.21 0.00 0.00 178.00 179.17 3eey h GLU 114 N 0.06 -0.07 0.03 1.05 3.07 -1.98 -0.45 114.58 116.29 3eey h GLU 114 Ca 0.24 0.01 -0.22 0.00 -0.50 0.00 0.00 59.36 58.89 3eey h GLU 114 Cb 0.37 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 3eey h GLU 114 CO -0.45 -0.05 -0.99 1.79 -1.40 0.00 0.00 179.01 177.91 3eey h THR 115 N -0.08 1.60 -0.11 1.13 1.35 -1.94 -2.26 112.91 112.59 3eey h THR 115 Ca 0.14 -3.06 -0.01 0.00 -0.55 0.00 0.00 66.41 62.93 3eey h THR 115 Cb 0.29 2.73 -0.00 0.00 -1.73 0.00 0.00 68.15 69.43 3eey h THR 115 CO -0.32 0.88 0.03 0.74 -0.25 0.00 0.00 175.52 176.60 3eey h THR 116 N 0.04 1.20 -0.58 6.82 2.02 -0.95 -0.14 112.91 121.32 3eey h THR 116 Ca -0.04 -0.62 0.03 0.00 0.77 0.00 0.00 66.41 66.55 3eey h THR 116 Cb 1.70 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 69.47 3eey h THR 116 CO 0.14 0.18 0.34 0.40 0.37 0.00 0.00 175.52 176.95 3eey h ILE 117 N -0.02 1.04 -0.02 3.11 2.04 -1.09 0.10 117.51 122.67 3eey h ILE 117 Ca 0.04 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.69 3eey h ILE 117 Cb 0.26 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 3eey h ILE 117 CO 0.00 0.12 -0.14 1.56 0.00 0.00 0.00 178.15 179.69 3eey h GLN 118 N 0.67 -0.22 -0.78 2.37 4.20 -1.31 -1.46 115.11 118.57 3eey h GLN 118 Ca 0.24 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 3eey h GLN 118 Cb 0.06 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.85 3eey h GLN 118 CO -0.12 -0.15 0.46 0.00 -0.67 0.00 0.00 178.83 178.36 3eey h ALA 119 N 0.73 1.33 -0.80 3.87 0.00 -0.67 -1.51 119.26 122.22 3eey h ALA 119 Ca 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3eey h ALA 119 Cb 0.30 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3eey h ALA 119 CO -0.15 0.57 0.37 -0.07 0.00 0.00 0.00 179.25 179.97 3eey h LEU 120 N 1.08 1.06 -0.52 0.00 3.38 -0.60 0.19 115.31 119.92 3eey h LEU 120 Ca 0.28 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3eey h LEU 120 Cb -0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 3eey h LEU 120 CO -0.05 0.91 0.25 0.28 0.09 0.00 0.00 178.44 179.93 3eey h SER 121 N 1.14 0.67 -0.40 -0.43 0.02 -0.80 -0.39 113.55 113.37 3eey h SER 121 Ca 0.27 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 3eey h SER 121 Cb 0.14 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 3eey h SER 121 CO -0.03 0.60 0.09 0.11 -1.14 0.00 0.00 176.83 176.46 3eey h LYS 122 N 0.69 0.65 -0.69 3.45 1.79 -1.00 -1.46 116.57 119.99 3eey h LYS 122 Ca 0.18 -0.16 -0.05 0.00 -2.18 0.00 0.00 60.65 58.44 3eey h LYS 122 Cb 0.11 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.64 3eey h LYS 122 CO -0.02 0.67 0.25 0.00 -1.08 0.00 0.00 179.45 179.27 3eey h ALA 123 N 0.95 0.90 -0.59 3.86 0.00 -0.56 -0.97 119.26 122.85 3eey h ALA 123 Ca 0.13 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3eey h ALA 123 Cb 0.32 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3eey h ALA 123 CO 0.00 0.55 0.16 0.52 0.00 0.00 0.00 179.25 180.48 3eey h MET 124 N 1.00 0.90 -0.43 0.00 2.86 -0.88 -1.42 114.93 116.97 3eey h MET 124 Ca 0.23 -0.18 -0.12 0.00 -2.06 0.00 0.00 59.70 57.57 3eey h MET 124 Cb 0.26 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 3eey h MET 124 CO -0.01 0.80 -0.18 1.49 1.06 0.00 0.00 176.91 180.06 3eey h GLU 125 N 0.87 0.88 0.00 1.72 4.57 -1.03 -3.22 114.58 118.36 3eey h GLU 125 Ca 0.19 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 3eey h GLU 125 Cb 0.29 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 3eey h GLU 125 CO -0.00 1.02 0.00 -0.07 -1.18 0.00 0.00 179.01 178.77 3eey h LEU 126 N 0.70 0.00 -9.72 1.64 3.38 -0.89 -3.45 115.31 106.97 3eey h LEU 126 Ca 0.10 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.54 3eey h LEU 126 Cb 0.74 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.54 3eey h LEU 126 CO 0.06 0.00 0.71 -0.76 0.09 0.00 0.00 178.44 178.53 3eey s LEU 127 N -5.95 4.40 0.56 1.67 1.43 -0.56 -0.83 118.68 119.40 3eey s LEU 127 Ca 0.03 2.55 -0.17 0.00 -1.03 0.00 0.00 54.13 55.50 3eey s LEU 127 Cb 0.08 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.63 3eey s LEU 127 CO 0.55 -0.62 1.06 0.54 0.23 0.00 0.00 176.35 178.12 3eey s VAL 128 N 0.01 3.71 0.29 -1.59 0.11 -0.36 -4.81 120.40 117.76 3eey s VAL 128 Ca 0.58 0.91 -0.30 0.00 -2.93 0.00 0.00 61.98 60.24 3eey s VAL 128 Cb -0.39 -3.38 -0.12 0.00 -1.53 0.00 0.00 36.38 30.96 3eey s VAL 128 CO 0.41 -0.38 1.61 0.35 -3.33 0.00 0.00 175.10 173.76 3eey n THR 129 N -1.64 0.96 -0.94 5.04 -2.24 -1.26 -1.13 114.28 113.07 3eey n THR 129 Ca 0.09 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3eey n THR 129 Cb 0.52 -1.98 0.00 0.00 -2.10 0.00 0.00 70.33 66.78 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 2.27 0.52 3.95 3.38 0.00 0.36 -5.02 105.19 110.65 3eey n GLY 130 Ca 0.09 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.08 1.65 0.01 -0.02 0.00 -0.29 -4.89 107.32 101.71 3eey s GLY 131 Ca 0.00 -1.08 0.03 0.00 0.00 0.00 0.00 44.72 43.67 3eey s GLY 131 CO 0.00 -0.86 -0.10 -1.50 0.00 0.00 0.00 173.10 170.64 3eey s ILE 132 N -2.69 0.82 -0.12 0.90 2.07 -0.33 -1.95 121.20 119.90 3eey s ILE 132 Ca 0.52 -0.62 0.01 0.00 -1.41 0.00 0.00 60.65 59.15 3eey s ILE 132 Cb -0.10 -0.72 -0.01 0.00 0.13 0.00 0.00 42.46 41.76 3eey s ILE 132 CO 0.39 0.10 -0.17 -0.63 -1.91 0.00 0.00 174.94 172.72 3eey s ILE 133 N -0.50 2.73 -0.09 2.00 1.01 0.13 -1.58 121.20 124.90 3eey s ILE 133 Ca 0.02 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 59.88 3eey s ILE 133 Cb -0.05 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.27 3eey s ILE 133 CO 0.00 0.54 -0.04 0.42 0.00 0.00 0.00 174.94 175.86 3eey s THR 134 N 0.30 3.91 -0.24 2.92 -4.23 -0.61 -0.25 115.64 117.45 3eey s THR 134 Ca -0.13 -0.39 0.00 0.00 -1.18 0.00 0.00 61.69 59.99 3eey s THR 134 Cb -0.16 -2.64 0.07 0.00 1.34 0.00 0.00 72.50 71.11 3eey s THR 134 CO 0.07 0.58 -0.01 -0.69 -0.54 0.00 0.00 174.62 174.02 3eey s VAL 135 N -0.56 1.29 -0.32 2.29 1.01 0.33 -0.33 120.40 124.12 3eey s VAL 135 Ca 0.09 -1.16 -0.20 0.00 0.00 0.00 0.00 61.98 60.70 3eey s VAL 135 Cb -0.12 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 3eey s VAL 135 CO 0.02 -0.21 0.62 -0.69 0.00 0.00 0.00 175.10 174.85 3eey s VAL 136 N 1.49 4.93 -0.32 2.92 1.01 -0.27 -0.73 120.40 129.43 3eey s VAL 136 Ca -0.02 0.75 -0.11 0.00 0.00 0.00 0.00 61.98 62.60 3eey s VAL 136 Cb -0.18 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 3eey s VAL 136 CO -0.09 -0.19 0.18 -0.63 0.00 0.00 0.00 175.10 174.37 3eey s ILE 137 N 2.63 4.81 -0.00 2.22 1.01 0.87 -0.93 121.20 131.81 3eey s ILE 137 Ca 0.25 -0.35 -0.04 0.00 0.00 0.00 0.00 60.65 60.51 3eey s ILE 137 Cb -0.15 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 3eey s ILE 137 CO 0.13 0.05 0.20 -0.31 0.00 0.00 0.00 174.94 175.01 3eey s TYR 138 N 1.65 3.55 0.37 3.97 2.02 -1.10 -1.42 117.35 126.39 3eey s TYR 138 Ca 0.05 0.41 -0.11 0.00 -0.37 0.00 0.00 57.07 57.04 3eey s TYR 138 Cb -0.17 -1.87 0.04 0.00 -0.40 0.00 0.00 41.96 39.56 3eey s TYR 138 CO 0.08 0.64 0.68 1.52 -1.57 0.00 0.00 175.55 176.90 3eey s TYR 139 N -1.32 0.43 0.00 2.71 1.13 -1.26 -4.71 117.35 114.32 3eey s TYR 139 Ca 0.27 -0.95 0.00 0.00 -1.41 0.00 0.00 57.07 54.98 3eey s TYR 139 Cb -0.13 0.53 0.00 0.00 -1.10 0.00 0.00 41.96 41.26 3eey s TYR 139 CO 0.18 -1.42 0.00 0.41 -2.51 0.00 0.00 175.55 172.21 3eey n GLY 140 N -0.54 -1.33 7.00 5.49 0.00 -0.76 -4.78 105.19 110.27 3eey n GLY 140 Ca -0.05 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.74 3eey n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3eey n GLY 141 N 0.00 1.76 0.31 -0.02 0.00 -1.26 -0.56 105.19 105.41 3eey n GLY 141 Ca 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 46.02 45.55 3eey n GLY 141 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3eey h ASP 142 N 5.63 0.81 -0.55 1.61 3.45 -1.95 -3.17 116.42 122.25 3eey h ASP 142 Ca 0.00 -0.15 0.07 0.00 0.43 0.00 0.00 57.03 57.38 3eey h ASP 142 Cb 0.00 -0.21 -0.06 0.00 -0.56 0.00 0.00 39.33 38.50 3eey h ASP 142 CO 0.00 0.79 0.24 0.74 -1.57 0.00 0.00 179.24 179.44 3eey h THR 143 N 0.83 0.87 0.00 0.35 2.02 -1.79 -3.49 112.91 111.70 3eey h THR 143 Ca 0.18 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.21 3eey h THR 143 Cb 0.30 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3eey h THR 143 CO -0.00 0.08 0.00 0.61 0.37 0.00 0.00 175.52 176.58 3eey n GLY 144 N -1.27 -1.96 0.01 2.16 0.00 0.27 -4.76 105.19 99.64 3eey n GLY 144 Ca 0.06 -1.46 0.01 0.00 0.00 0.00 0.00 46.02 44.63 3eey n GLY 144 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3eey n PHE 145 N 0.00 0.00 -0.16 1.61 3.72 -1.26 -1.83 117.46 119.54 3eey n PHE 145 Ca 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.32 3eey n PHE 145 Cb 0.00 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.61 3eey n PHE 145 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3eey h GLU 146 N 0.05 0.95 -0.19 -1.08 4.81 -2.00 -2.19 114.58 114.93 3eey h GLU 146 Ca 0.00 -0.32 -0.05 0.00 -0.13 0.00 0.00 59.36 58.86 3eey h GLU 146 Cb 0.05 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3eey h GLU 146 CO 0.00 0.98 -0.06 1.49 -0.73 0.00 0.00 179.01 180.69 3eey h GLU 147 N 0.85 0.37 -0.19 1.92 4.81 -1.90 -1.94 114.58 118.51 3eey h GLU 147 Ca 0.14 -0.15 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 3eey h GLU 147 Cb 0.61 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.91 3eey h GLU 147 CO 0.04 0.65 -0.18 -0.22 -0.73 0.00 0.00 179.01 178.56 3eey h LYS 148 N 0.08 -0.20 -0.27 1.92 3.64 -1.85 -0.68 116.57 119.21 3eey h LYS 148 Ca 0.05 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3eey h LYS 148 Cb 0.52 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 3eey h LYS 148 CO 0.02 -0.13 0.15 0.93 -2.27 0.00 0.00 179.45 178.15 3eey h GLU 149 N -0.20 0.38 -0.19 1.90 4.39 -1.38 -1.97 114.58 117.51 3eey h GLU 149 Ca 0.12 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.67 3eey h GLU 149 Cb 0.38 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3eey h GLU 149 CO -0.31 0.34 -0.27 0.87 -1.16 0.00 0.00 179.01 178.48 3eey h LYS 150 N 0.33 0.52 -0.38 2.33 1.57 -1.26 -1.69 116.57 117.99 3eey h LYS 150 Ca 0.10 -0.30 0.02 0.00 -1.87 0.00 0.00 60.65 58.59 3eey h LYS 150 Cb 0.07 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 3eey h LYS 150 CO -0.02 0.90 0.21 0.28 -0.57 0.00 0.00 179.45 180.25 3eey h VAL 151 N 0.19 1.01 -0.68 0.50 2.07 -1.11 0.24 116.25 118.46 3eey h VAL 151 Ca 0.02 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 3eey h VAL 151 Cb 0.84 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3eey h VAL 151 CO 0.06 0.08 0.18 -0.07 0.02 0.00 0.00 177.57 177.84 3eey h LEU 152 N 0.42 1.00 -0.77 2.57 3.38 -1.39 -0.22 115.31 120.30 3eey h LEU 152 Ca 0.16 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3eey h LEU 152 Cb 0.04 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3eey h LEU 152 CO -0.09 0.95 0.10 -0.08 0.09 0.00 0.00 178.44 179.40 3eey h GLU 153 N 1.01 1.03 -0.26 1.13 4.81 -0.93 -0.96 114.58 120.42 3eey h GLU 153 Ca 0.22 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3eey h GLU 153 Cb 0.33 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3eey h GLU 153 CO -0.00 0.95 0.12 0.35 -0.73 0.00 0.00 179.01 179.70 3eey h PHE 154 N 0.97 0.37 0.00 0.92 3.57 -0.72 -3.26 116.94 118.79 3eey h PHE 154 Ca 0.19 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 3eey h PHE 154 Cb 0.42 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 3eey h PHE 154 CO 0.03 0.36 -0.24 -0.07 -2.23 0.00 0.00 178.31 176.16 3eey h LEU 155 N 0.28 0.00 -2.18 0.59 3.38 -0.77 -2.34 115.31 114.27 3eey h LEU 155 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3eey h LEU 155 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3eey h LEU 155 CO -0.01 0.24 -0.06 0.11 0.09 0.00 0.00 178.44 178.81 3eey h LYS 156 N 0.00 0.00 -0.00 1.13 1.57 -1.22 -3.02 116.57 115.03 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 0.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.08 3eey h LYS 156 CO 0.03 0.06 -0.30 0.41 -0.57 0.00 0.00 179.45 179.08 3eey n GLY 157 N -1.01 -0.90 3.73 3.86 0.00 -0.88 -4.94 105.19 105.05 3eey n GLY 157 Ca -0.02 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.68 2.74 -0.15 1.61 1.01 -1.14 -4.90 120.40 116.89 3eey s VAL 158 Ca 0.20 0.56 -0.33 0.00 0.00 0.00 0.00 61.98 62.41 3eey s VAL 158 Cb 0.19 -3.36 -0.10 0.00 0.00 0.00 0.00 36.38 33.11 3eey s VAL 158 CO 0.57 0.06 2.02 -0.67 0.00 0.00 0.00 175.10 177.08 3eey n ASP 159 N 3.42 3.26 0.23 3.32 2.03 -1.26 -4.86 116.55 122.70 3eey n ASP 159 Ca 0.11 0.71 0.16 0.00 0.52 0.00 0.00 54.79 56.28 3eey n ASP 159 Cb 0.40 -1.41 0.67 0.00 -0.72 0.00 0.00 41.12 40.06 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 11.16 0.00 0.00 -0.67 3.07 -1.91 0.20 115.11 126.97 3eey h GLN 160 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.31 3eey h GLN 160 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.83 3eey h GLN 160 CO 0.96 0.00 0.00 0.87 0.09 0.00 0.00 178.83 180.75 3eey h LYS 161 N 0.00 0.00 0.00 0.06 1.57 -2.01 -3.35 116.57 112.84 3eey h LYS 161 Ca 0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 3eey h LYS 161 Cb 0.40 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.66 3eey h LYS 161 CO 0.00 0.00 -2.00 1.63 -0.57 0.00 0.00 179.45 178.51 3eey n LYS 162 N -2.94 0.91 -4.22 3.15 4.76 -0.67 -4.24 118.16 114.91 3eey n LYS 162 Ca 0.04 0.06 -0.17 0.00 -2.87 0.00 0.00 58.31 55.37 3eey n LYS 162 Cb 0.47 -1.36 -0.14 0.00 -1.84 0.00 0.00 35.03 32.15 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 -2.35 0.60 -0.16 2.13 0.08 -0.03 -0.13 117.98 118.12 3eey s PHE 163 Ca -0.18 -0.14 -0.21 0.00 0.12 0.00 0.00 56.93 56.52 3eey s PHE 163 Cb 0.05 -0.39 -0.03 0.00 -0.57 0.00 0.00 43.02 42.09 3eey s PHE 163 CO 0.48 -0.01 0.63 0.42 -0.10 0.00 0.00 175.22 176.63 3eey s ILE 164 N -0.24 5.04 -0.26 0.64 1.01 -0.10 -4.16 121.20 123.14 3eey s ILE 164 Ca 0.02 1.22 0.01 0.00 0.00 0.00 0.00 60.65 61.90 3eey s ILE 164 Cb -0.03 -3.95 0.05 0.00 0.01 0.00 0.00 42.46 38.54 3eey s ILE 164 CO -0.00 0.16 -0.09 -0.69 0.00 0.00 0.00 174.94 174.32 3eey s VAL 165 N 1.53 2.42 -0.17 2.92 1.01 -1.26 -1.21 120.40 125.64 3eey s VAL 165 Ca 0.30 -1.41 -0.00 0.00 0.00 0.00 0.00 61.98 60.87 3eey s VAL 165 Cb -0.16 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.88 3eey s VAL 165 CO 0.12 0.06 -0.14 -1.58 0.00 0.00 0.00 175.10 173.56 3eey s GLN 166 N 1.19 3.20 -0.16 2.72 0.74 0.14 -4.95 119.66 122.53 3eey s GLN 166 Ca -0.05 -0.74 -0.08 0.00 0.05 0.00 0.00 55.36 54.53 3eey s GLN 166 Cb -0.19 -2.67 -0.04 0.00 1.10 0.00 0.00 33.01 31.21 3eey s GLN 166 CO -0.05 -0.05 0.12 0.50 -0.55 0.00 0.00 175.29 175.26 3eey s ARG 167 N 0.99 3.81 -0.08 1.67 3.52 -1.26 -0.32 118.95 127.28 3eey s ARG 167 Ca -0.02 -0.20 0.05 0.00 -0.13 0.00 0.00 55.73 55.43 3eey s ARG 167 Cb -0.15 -3.28 -0.01 0.00 -1.56 0.00 0.00 34.95 29.95 3eey s ARG 167 CO -0.03 0.51 -0.23 0.99 -0.81 0.00 0.00 175.30 175.74 3eey s THR 168 N -0.27 2.25 -0.13 4.11 2.01 0.84 -5.01 115.64 119.44 3eey s THR 168 Ca 0.11 -0.98 -0.09 0.00 0.31 0.00 0.00 61.69 61.04 3eey s THR 168 Cb -0.12 -1.85 0.04 0.00 0.01 0.00 0.00 72.50 70.59 3eey s THR 168 CO 0.01 0.56 0.32 -0.62 -0.69 0.00 0.00 174.62 174.20 3eey s ASP 169 N -0.01 -0.36 -0.51 3.53 -1.08 -1.26 -2.01 116.67 114.97 3eey s ASP 169 Ca -0.08 0.67 -0.15 0.00 -0.52 0.00 0.00 52.55 52.48 3eey s ASP 169 Cb -0.15 0.60 0.11 0.00 -1.46 0.00 0.00 42.92 42.02 3eey s ASP 169 CO 0.05 -0.15 0.44 -0.36 0.52 0.00 0.00 175.17 175.67 3eey s PHE 170 N 0.88 3.26 -0.78 -5.34 0.08 -1.26 -4.95 117.98 109.86 3eey s PHE 170 Ca -0.06 -1.19 0.24 0.00 0.12 0.00 0.00 56.93 56.05 3eey s PHE 170 Cb -0.07 -3.52 0.39 0.00 -0.57 0.00 0.00 43.02 39.26 3eey s PHE 170 CO -0.06 -0.93 1.34 0.44 -0.10 0.00 0.00 175.22 175.91 3eey n ILE 171 N 5.20 0.19 0.75 0.64 -5.35 -1.26 -3.45 119.36 116.08 3eey n ILE 171 Ca -0.13 -0.16 0.11 0.00 -0.27 0.00 0.00 62.75 62.31 3eey n ILE 171 Cb 0.42 0.05 0.13 0.00 -1.74 0.00 0.00 39.64 38.49 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 -1.84 3.06 -4.82 7.28 6.94 -1.26 -4.94 115.26 119.67 3eey n ASN 172 Ca 0.04 -1.96 -0.38 0.00 -0.02 0.00 0.00 54.58 52.26 3eey n ASN 172 Cb 0.40 -0.07 -0.06 0.00 -2.36 0.00 0.00 39.78 37.68 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 -1.76 4.02 0.64 -3.83 -0.21 -1.22 -5.10 119.66 112.19 3eey s GLN 173 Ca 0.30 0.48 0.02 0.00 0.02 0.00 0.00 55.36 56.18 3eey s GLN 173 Cb 0.20 -3.24 0.09 0.00 1.00 0.00 0.00 33.01 31.05 3eey s GLN 173 CO 0.29 0.63 0.88 0.00 -2.12 0.00 0.00 175.29 174.97 3eey s ALA 174 N -0.92 3.94 -1.09 6.09 0.00 -1.26 -4.67 121.76 123.85 3eey s ALA 174 Ca 0.25 -1.66 -0.00 0.00 0.00 0.00 0.00 51.96 50.55 3eey s ALA 174 Cb -0.17 -1.94 -0.00 0.00 0.00 0.00 0.00 23.12 21.01 3eey s ALA 174 CO 0.14 -1.11 0.91 -1.71 0.00 0.00 0.00 175.76 173.99 3eey n ASN 175 N -2.56 -2.16 -3.61 0.00 5.15 -1.26 -4.23 115.26 106.59 3eey n ASN 175 Ca 0.13 -0.57 -0.21 0.00 -0.60 0.00 0.00 54.58 53.33 3eey n ASN 175 Cb 0.60 -4.72 0.01 0.00 -0.53 0.00 0.00 39.78 35.14 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 -4.76 4.25 0.38 0.00 0.04 -1.26 -4.72 135.00 128.94 3eey s PRO 177 Ca 0.10 2.33 -0.26 0.00 0.04 0.00 0.00 61.00 63.21 3eey s PRO 177 Cb -0.04 -3.10 -0.11 0.00 0.04 0.00 0.00 34.50 31.29 3eey s PRO 177 CO 0.86 -0.44 1.19 -2.30 0.04 0.00 0.00 177.00 176.35 3eey n PRO 178 N 2.29 1.81 -4.00 0.56 -0.02 -1.26 -4.87 135.00 129.51 3eey n PRO 178 Ca 0.07 0.64 -0.36 0.00 -2.02 0.00 0.00 63.50 61.83 3eey n PRO 178 Cb 0.40 -2.24 -0.08 0.00 -0.02 0.00 0.00 33.50 31.56 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 -1.17 5.04 -0.23 4.25 1.01 -0.51 -4.50 121.20 125.08 3eey s ILE 179 Ca 0.59 0.04 -0.09 0.00 0.00 0.00 0.00 60.65 61.20 3eey s ILE 179 Cb -0.56 -3.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 3eey s ILE 179 CO 0.59 0.55 0.11 -0.22 0.00 0.00 0.00 174.94 175.97 3eey s LEU 180 N -0.43 3.78 -0.15 2.97 2.96 -0.85 -0.09 118.68 126.86 3eey s LEU 180 Ca 0.10 -0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 53.96 3eey s LEU 180 Cb -0.12 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 3eey s LEU 180 CO 0.02 0.04 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.33 3eey s VAL 181 N 1.20 3.58 -0.20 1.68 1.01 0.10 -0.11 120.40 127.66 3eey s VAL 181 Ca 0.06 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 3eey s VAL 181 Cb -0.14 -2.55 -0.00 0.00 0.00 0.00 0.00 36.38 33.68 3eey s VAL 181 CO 0.04 0.50 -0.09 0.00 0.00 0.00 0.00 175.10 175.56 3eey s ILE 183 N 1.26 3.44 -0.12 0.00 1.01 0.66 -0.69 121.20 126.77 3eey s ILE 183 Ca 0.03 -0.48 0.03 0.00 0.00 0.00 0.00 60.65 60.23 3eey s ILE 183 Cb -0.14 -2.56 0.01 0.00 0.01 0.00 0.00 42.46 39.78 3eey s ILE 183 CO -0.04 0.43 -0.21 -0.70 0.00 0.00 0.00 174.94 174.42 3eey s GLU 184 N 1.33 2.82 -0.01 2.79 2.12 -0.35 0.23 118.70 127.63 3eey s GLU 184 Ca 0.04 -0.79 -0.30 0.00 0.36 0.00 0.00 54.97 54.28 3eey s GLU 184 Cb -0.14 -2.23 -0.04 0.00 0.26 0.00 0.00 34.13 31.97 3eey s GLU 184 CO -0.02 0.05 1.17 0.21 -0.54 0.00 0.00 175.26 176.14 3eey s LYS 185 N 0.66 4.40 -0.00 4.30 2.20 -0.82 -0.92 119.74 129.56 3eey s LYS 185 Ca -0.12 1.67 0.05 0.00 -0.36 0.00 0.00 55.97 57.21 3eey s LYS 185 Cb -0.16 -3.47 -0.06 0.00 -1.51 0.00 0.00 37.83 32.62 3eey s LYS 185 CO 0.02 -0.33 0.14 0.44 -0.36 0.00 0.00 175.35 175.26 3eey n ILE 186 N 4.29 0.00 -3.80 5.43 -5.35 0.82 -0.49 119.36 120.26 3eey n ILE 186 Ca 0.10 -0.24 -0.12 0.00 -0.27 0.00 0.00 62.75 62.21 3eey n ILE 186 Cb 0.47 0.67 -0.10 0.00 -1.74 0.00 0.00 39.64 38.94 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 -2.02 -0.14 0.55 7.28 0.01 -1.09 -4.86 113.70 113.43 3eey s SER 187 Ca -0.00 0.11 -0.07 0.00 1.31 0.00 0.00 55.95 57.30 3eey s SER 187 Cb 0.03 0.34 -0.02 0.00 0.21 0.00 0.00 66.02 66.58 3eey s SER 187 CO 0.19 -0.32 0.89 -0.70 0.41 0.00 0.00 173.24 173.70 3eey s GLU 188 N -0.94 3.39 0.13 12.44 2.56 -1.26 -4.77 118.70 130.25 3eey s GLU 188 Ca -0.10 0.30 0.00 0.00 0.00 0.00 0.00 54.97 55.17 3eey s GLU 188 Cb -0.05 -2.26 0.00 0.00 2.00 0.00 0.00 34.13 33.82 3eey s GLU 188 CO 0.02 -0.44 0.00 0.41 -0.56 0.00 0.00 175.26 174.69 3eey n GLY 189 N -2.49 -3.00 3.36 -1.50 0.00 -1.26 -5.04 105.19 95.26 3eey n GLY 189 Ca 0.03 -1.85 -0.11 0.00 0.00 0.00 0.00 46.02 44.08 3eey n GLY 189 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3eey s HIS 190 N -0.69 -0.63 -0.56 1.61 -3.43 -1.26 -4.99 115.29 105.35 3eey s HIS 190 Ca 0.00 1.39 -0.20 0.00 -0.80 0.00 0.00 55.06 55.45 3eey s HIS 190 Cb 0.00 0.28 0.07 0.00 -1.43 0.00 0.00 32.58 31.50 3eey s HIS 190 CO 0.00 -0.33 0.73 -1.01 -2.00 0.00 0.00 174.74 172.13 3eey s HIS 191 N 0.96 2.96 0.23 0.38 3.76 -1.26 -5.06 115.29 117.26 3eey s HIS 191 Ca -0.06 -0.63 0.01 0.00 -0.15 0.00 0.00 55.06 54.23 3eey s HIS 191 Cb -0.06 -3.85 -0.04 0.00 1.11 0.00 0.00 32.58 29.75 3eey s HIS 191 CO -0.08 -1.23 0.41 -1.01 -0.85 0.00 0.00 174.74 171.98 3eey s HIS 192 N 2.96 3.48 0.00 1.40 3.76 -1.26 -5.08 115.29 120.56 3eey s HIS 192 Ca 0.16 0.28 0.00 0.00 -0.15 0.00 0.00 55.06 55.35 3eey s HIS 192 Cb -0.20 -1.81 0.00 0.00 1.11 0.00 0.00 32.58 31.68 3eey s HIS 192 CO 0.10 0.35 0.00 0.72 -0.85 0.00 0.00 174.74 175.06 3eey n HIS 193 N -0.98 0.00 -4.40 1.40 8.25 -1.26 -5.03 115.22 113.20 3eey n HIS 193 Ca -0.05 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.11 3eey n HIS 193 Cb 0.55 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.53 3eey n HIS 193 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3eey s HIS 194 N 0.00 2.40 -1.09 4.41 0.09 -1.26 -5.31 115.29 114.53 3eey s HIS 194 Ca 0.00 -0.34 0.09 0.00 -0.00 0.00 0.00 55.06 54.81 3eey s HIS 194 Cb 0.00 -1.30 0.07 0.00 -0.00 0.00 0.00 32.58 31.35 3eey s HIS 194 CO 0.00 0.34 0.78 0.72 -0.00 0.00 0.00 174.74 176.58