#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mle s GLN -2 N 0.00 0.64 0.40 -4.13 -0.21 -1.26 -4.70 119.66 110.40 3mle s GLN -2 Ca 0.00 -0.87 0.08 0.00 0.02 0.00 0.00 55.36 54.59 3mle s GLN -2 Cb 0.00 -0.44 -0.02 0.00 1.00 0.00 0.00 33.01 33.55 3mle s GLN -2 CO 0.00 0.08 0.39 0.20 -2.12 0.00 0.00 175.29 173.85 3mle s GLY -1 N -1.76 2.06 0.08 3.09 0.00 -0.74 -4.98 107.32 105.06 3mle s GLY -1 Ca -0.06 -1.82 -0.05 0.00 0.00 0.00 0.00 44.72 42.79 3mle s GLY -1 CO 0.01 -1.65 0.32 0.30 0.00 0.00 0.00 173.10 172.07 3mle s HIS 0 N -2.43 3.53 -0.17 1.90 0.09 -0.65 -4.86 115.29 112.70 3mle s HIS 0 Ca 0.48 0.54 -0.06 0.00 -0.00 0.00 0.00 55.06 56.02 3mle s HIS 0 Cb -0.05 -1.98 -0.04 0.00 -0.00 0.00 0.00 32.58 30.52 3mle s HIS 0 CO 0.28 0.53 0.04 1.41 -0.00 0.00 0.00 174.74 177.00 3mle s MET 1 N -2.25 3.82 -0.23 1.40 0.00 -1.26 -0.56 119.30 120.23 3mle s MET 1 Ca 0.35 -0.38 -0.01 0.00 0.00 0.00 0.00 55.69 55.65 3mle s MET 1 Cb -0.13 -3.11 0.02 0.00 0.00 0.00 0.00 34.83 31.61 3mle s MET 1 CO 0.21 0.31 -0.09 -1.17 0.00 0.00 0.00 175.02 174.29 3mle s LEU 2 N 0.23 2.96 0.10 4.11 2.96 -0.44 -1.83 118.68 126.77 3mle s LEU 2 Ca 0.02 -0.83 -0.23 0.00 -0.22 0.00 0.00 54.13 52.88 3mle s LEU 2 Cb -0.13 -1.62 -0.07 0.00 0.50 0.00 0.00 46.19 44.87 3mle s LEU 2 CO 0.01 -0.10 0.69 0.12 -1.32 0.00 0.00 176.35 175.75 3mle s PHE 3 N 1.31 3.83 -0.18 5.38 5.36 0.20 -0.10 117.98 133.77 3mle s PHE 3 Ca 0.01 1.45 0.01 0.00 -0.96 0.00 0.00 56.93 57.44 3mle s PHE 3 Cb -0.16 -2.67 0.02 0.00 -0.34 0.00 0.00 43.02 39.87 3mle s PHE 3 CO -0.06 0.49 -0.19 0.42 -1.46 0.00 0.00 175.22 174.42 3mle s ILE 4 N -0.90 2.04 0.14 3.12 1.01 0.56 -0.08 121.20 127.08 3mle s ILE 4 Ca 0.33 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 60.05 3mle s ILE 4 Cb -0.21 -1.85 -0.00 0.00 0.01 0.00 0.00 42.46 40.40 3mle s ILE 4 CO 0.23 0.52 0.03 -0.24 0.00 0.00 0.00 174.94 175.48 3mle n SER 5 N 4.62 1.45 -3.97 3.58 2.88 -0.52 -1.32 113.62 120.34 3mle n SER 5 Ca -0.21 -1.70 -0.10 0.00 -1.33 0.00 0.00 58.87 55.54 3mle n SER 5 Cb 0.50 0.27 -0.06 0.00 -0.75 0.00 0.00 64.21 64.17 3mle n SER 5 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3mle s ALA 6 N -2.33 0.04 0.27 -1.46 0.00 -1.25 0.03 121.76 117.07 3mle s ALA 6 Ca 0.05 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 50.93 3mle s ALA 6 Cb 0.00 1.12 0.36 0.00 0.00 0.00 0.00 23.12 24.60 3mle s ALA 6 CO 0.03 -0.81 1.86 1.79 0.00 0.00 0.00 175.76 178.64 3mle h THR 7 N 2.30 1.23 -2.06 0.00 1.35 -1.23 -3.37 112.91 111.14 3mle h THR 7 Ca -0.28 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 3mle h THR 7 Cb 1.25 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 3mle h THR 7 CO 0.38 0.28 0.06 -3.20 -0.25 0.00 0.00 175.52 172.79 3mle n ASN 8 N -4.32 -0.36 -4.73 5.36 2.85 -1.26 -4.77 115.26 108.03 3mle n ASN 8 Ca 0.07 -1.24 -0.31 0.00 -0.11 0.00 0.00 54.58 52.99 3mle n ASN 8 Cb 0.15 0.60 0.12 0.00 1.24 0.00 0.00 39.78 41.88 3mle n ASN 8 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 3mle s THR 9 N -2.76 2.76 -1.45 -0.44 -1.32 -1.26 -3.50 115.64 107.67 3mle s THR 9 Ca 0.03 0.26 -0.09 0.00 -1.21 0.00 0.00 61.69 60.68 3mle s THR 9 Cb -0.01 -2.58 0.05 0.00 -1.51 0.00 0.00 72.50 68.45 3mle s THR 9 CO 0.02 -0.31 0.75 -3.20 -2.21 0.00 0.00 174.62 169.66 3mle n ASN 10 N -3.68 -5.13 -0.03 8.08 5.15 -1.26 -4.89 115.26 113.50 3mle n ASN 10 Ca 0.11 -0.48 0.04 0.00 -0.60 0.00 0.00 54.58 53.65 3mle n ASN 10 Cb 0.52 -4.14 -0.15 0.00 -0.53 0.00 0.00 39.78 35.49 3mle n ASN 10 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3mle n ALA 11 N -4.03 2.37 0.00 5.20 0.00 -1.23 -5.00 120.51 117.82 3mle n ALA 11 Ca -0.03 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.74 3mle n ALA 11 Cb 0.56 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.51 3mle n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mle n GLY 12 N 1.56 1.00 0.40 0.00 0.00 -1.26 -4.34 105.19 102.56 3mle n GLY 12 Ca -0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 3mle n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mle h LYS 13 N 0.00 -0.45 0.06 1.61 1.57 -1.92 -0.48 116.57 116.97 3mle h LYS 13 Ca 0.00 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3mle h LYS 13 Cb 0.00 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3mle h LYS 13 CO 0.00 -0.30 -0.03 1.15 -0.57 0.00 0.00 179.45 179.70 3mle h THR 14 N -0.47 0.98 -0.07 -0.16 2.02 -1.97 0.19 112.91 113.44 3mle h THR 14 Ca 0.08 -0.15 0.03 0.00 0.77 0.00 0.00 66.41 67.14 3mle h THR 14 Cb 0.62 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 3mle h THR 14 CO -0.43 0.04 -0.11 0.74 0.37 0.00 0.00 175.52 176.12 3mle h THR 15 N -0.15 0.70 -0.50 3.16 2.02 -1.95 -1.35 112.91 114.84 3mle h THR 15 Ca -0.01 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 3mle h THR 15 Cb 0.13 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 3mle h THR 15 CO 0.01 0.00 0.11 0.00 0.37 0.00 0.00 175.52 176.01 3mle h ALA 17 N 0.98 0.45 -0.22 0.00 0.00 -0.31 0.11 119.26 120.28 3mle h ALA 17 Ca 0.15 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3mle h ALA 17 Cb 0.35 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3mle h ALA 17 CO 0.00 -0.39 0.07 0.00 0.00 0.00 0.00 179.25 178.94 3mle h ARG 18 N 0.11 0.35 -0.77 0.00 3.08 -0.72 -0.93 114.38 115.51 3mle h ARG 18 Ca 0.24 -0.07 0.10 0.00 0.07 0.00 0.00 59.98 60.32 3mle h ARG 18 Cb 0.36 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.29 3mle h ARG 18 CO -0.40 0.43 0.40 -0.07 -1.07 0.00 0.00 179.97 179.25 3mle h LEU 19 N 0.20 0.54 -0.17 3.04 3.38 -0.20 0.14 115.31 122.24 3mle h LEU 19 Ca 0.07 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3mle h LEU 19 Cb 0.22 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3mle h LEU 19 CO -0.00 0.30 -0.04 0.25 0.09 0.00 0.00 178.44 179.03 3mle h LEU 20 N 0.67 0.32 -0.34 1.67 5.85 -0.61 -1.89 115.31 120.99 3mle h LEU 20 Ca 0.38 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3mle h LEU 20 Cb 0.40 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3mle h LEU 20 CO -0.27 0.62 0.20 0.00 -0.34 0.00 0.00 178.44 178.64 3mle h ALA 21 N 0.72 0.42 -0.39 1.25 0.00 -0.77 -0.25 119.26 120.24 3mle h ALA 21 Ca 0.04 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.02 3mle h ALA 21 Cb 0.48 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 3mle h ALA 21 CO 0.02 -0.16 -0.11 0.37 0.00 0.00 0.00 179.25 179.37 3mle h GLN 22 N 0.40 -0.02 -0.06 0.00 4.15 -0.65 0.15 115.11 119.09 3mle h GLN 22 Ca 0.13 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.55 3mle h GLN 22 Cb 0.00 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.70 3mle h GLN 22 CO -0.06 -0.01 0.03 -0.92 -1.93 0.00 0.00 178.83 175.93 3mle h TYR 23 N -0.02 0.09 0.14 3.99 3.20 -0.80 -1.21 116.97 122.37 3mle h TYR 23 Ca 0.19 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.07 3mle h TYR 23 Cb 0.30 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 3mle h TYR 23 CO -0.36 0.18 -0.27 0.00 -1.64 0.00 0.00 178.16 176.07 3mle h ASN 25 N -0.50 0.69 -0.18 0.00 2.35 -0.56 0.38 115.58 117.76 3mle h ASN 25 Ca 0.02 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 3mle h ASN 25 Cb 0.52 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 3mle h ASN 25 CO -0.14 0.48 -0.10 0.00 -1.65 0.00 0.00 177.43 176.02 3mle h ALA 26 N 1.61 1.24 -0.12 -0.83 0.00 -0.72 -2.01 119.26 118.43 3mle h ALA 26 Ca 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mle h ALA 26 Cb 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3mle h ALA 26 CO -0.07 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.68 3mle n GLY 28 N 0.72 0.46 3.42 0.00 0.00 -0.76 -5.01 105.19 104.04 3mle n GLY 28 Ca 0.05 -0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.26 3mle n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mle s VAL 29 N -1.99 4.79 -0.39 1.61 1.01 -0.06 -4.98 120.40 120.39 3mle s VAL 29 Ca 0.00 -0.64 -0.27 0.00 0.00 0.00 0.00 61.98 61.07 3mle s VAL 29 Cb 0.00 -4.41 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 3mle s VAL 29 CO 0.00 -0.99 2.09 -0.75 0.00 0.00 0.00 175.10 175.45 3mle s LYS 30 N 2.82 2.82 -0.13 2.72 2.36 -1.26 -2.83 119.74 126.24 3mle s LYS 30 Ca 0.15 1.46 0.01 0.00 -2.55 0.00 0.00 55.97 55.04 3mle s LYS 30 Cb -0.21 -4.38 0.02 0.00 -1.05 0.00 0.00 37.83 32.21 3mle s LYS 30 CO 0.10 -2.46 -0.16 0.99 1.55 0.00 0.00 175.35 175.37 3mle s THR 31 N 9.09 1.61 0.06 3.43 2.01 -1.26 -1.32 115.64 129.27 3mle s THR 31 Ca 0.88 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 62.20 3mle s THR 31 Cb -0.22 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 3mle s THR 31 CO 0.30 0.46 0.17 -0.51 -0.69 0.00 0.00 174.62 174.35 3mle s ILE 32 N 1.14 5.15 -0.17 1.82 2.07 -0.75 -4.92 121.20 125.53 3mle s ILE 32 Ca -0.03 -0.49 -0.01 0.00 -1.41 0.00 0.00 60.65 58.72 3mle s ILE 32 Cb -0.14 -3.50 -0.00 0.00 0.13 0.00 0.00 42.46 38.94 3mle s ILE 32 CO -0.05 0.14 -0.13 -0.76 -1.91 0.00 0.00 174.94 172.23 3mle s LEU 33 N -2.46 2.57 -0.04 8.50 1.43 -1.26 -1.37 118.68 126.05 3mle s LEU 33 Ca 0.33 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 53.03 3mle s LEU 33 Cb -0.13 -1.60 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 3mle s LEU 33 CO 0.26 0.07 -0.19 -0.76 0.23 0.00 0.00 176.35 175.96 3mle s LEU 34 N 0.92 1.98 -0.64 1.79 1.43 0.23 -4.78 118.68 119.60 3mle s LEU 34 Ca -0.03 -0.38 0.05 0.00 -1.03 0.00 0.00 54.13 52.75 3mle s LEU 34 Cb -0.15 -1.04 0.18 0.00 0.03 0.00 0.00 46.19 45.21 3mle s LEU 34 CO -0.01 0.20 0.50 1.17 0.23 0.00 0.00 176.35 178.44 3mle n LYS 35 N 2.93 1.62 -0.25 1.70 3.00 -0.77 -0.36 118.16 126.02 3mle n LYS 35 Ca -0.17 -4.26 -0.05 0.00 -0.00 0.00 0.00 58.31 53.82 3mle n LYS 35 Cb 0.53 -2.15 0.05 0.00 0.00 0.00 0.00 35.03 33.46 3mle n LYS 35 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 3mle h PRO 36 N 5.22 0.94 -5.17 1.64 0.13 -1.73 -3.37 132.00 129.67 3mle h PRO 36 Ca 0.17 -0.07 -0.65 0.00 -0.87 0.00 0.00 66.00 64.58 3mle h PRO 36 Cb 0.77 -0.20 -0.33 0.00 0.13 0.00 0.00 31.00 31.36 3mle h PRO 36 CO 0.67 0.65 -0.87 0.42 -0.23 0.00 0.00 178.00 178.65 3mle s ILE 37 N -6.04 1.89 -0.05 -3.56 1.01 -1.26 -1.32 121.20 111.88 3mle s ILE 37 Ca -0.13 -0.91 -0.05 0.00 0.00 0.00 0.00 60.65 59.56 3mle s ILE 37 Cb 0.14 -1.66 0.01 0.00 0.01 0.00 0.00 42.46 40.97 3mle s ILE 37 CO 0.78 0.52 0.13 -0.70 0.00 0.00 0.00 174.94 175.67 3mle s GLU 38 N 0.50 0.18 0.24 2.79 2.12 -0.20 -4.58 118.70 119.76 3mle s GLU 38 Ca -0.16 0.14 0.03 0.00 0.36 0.00 0.00 54.97 55.35 3mle s GLU 38 Cb -0.17 0.09 -0.05 0.00 0.26 0.00 0.00 34.13 34.25 3mle s GLU 38 CO 0.06 -0.03 0.02 0.95 -0.54 0.00 0.00 175.26 175.72 3mle s THR 39 N -0.04 0.98 -0.88 -1.70 -4.23 -1.26 -1.81 115.64 106.70 3mle s THR 39 Ca -0.01 -2.02 -0.01 0.00 -1.18 0.00 0.00 61.69 58.47 3mle s THR 39 Cb -0.01 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.40 3mle s THR 39 CO 0.00 -0.25 0.11 0.61 -0.54 0.00 0.00 174.62 174.55 3mle n GLY 40 N -0.45 -0.03 3.38 3.99 0.00 -0.19 -4.89 105.19 107.00 3mle n GLY 40 Ca -0.04 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 3mle n GLY 40 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mle s VAL 41 N -2.65 2.28 -0.30 1.61 -7.23 -0.49 -4.91 120.40 108.70 3mle s VAL 41 Ca 0.05 -1.48 -0.02 0.00 -1.81 0.00 0.00 61.98 58.73 3mle s VAL 41 Cb -0.02 -1.94 0.10 0.00 0.56 0.00 0.00 36.38 35.08 3mle s VAL 41 CO 0.07 0.27 0.10 0.21 -0.31 0.00 0.00 175.10 175.44 3mle s ASN 42 N -1.54 3.90 0.49 4.85 3.84 -1.26 -3.36 114.94 121.86 3mle s ASN 42 Ca 0.13 -1.55 0.28 0.00 0.21 0.00 0.00 52.86 51.93 3mle s ASN 42 Cb -0.10 -0.74 0.95 0.00 -0.55 0.00 0.00 41.25 40.80 3mle s ASN 42 CO 0.04 -0.42 1.83 0.44 -2.79 0.00 0.00 177.10 176.20 3mle h ASP 43 N 8.16 0.00 0.08 -4.21 3.32 -1.99 -1.16 116.42 120.62 3mle h ASP 43 Ca -0.15 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.81 3mle h ASP 43 Cb 1.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 3mle h ASP 43 CO 0.46 0.06 -0.28 0.00 -1.72 0.00 0.00 179.24 177.76 3mle h ALA 44 N 1.94 1.20 0.00 3.45 0.00 -2.06 -3.38 119.26 120.41 3mle h ALA 44 Ca -0.00 -0.34 -0.33 0.00 0.00 0.00 0.00 54.91 54.25 3mle h ALA 44 Cb 0.73 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3mle h ALA 44 CO 0.01 0.52 -2.17 -0.89 0.00 0.00 0.00 179.25 176.72 3mle n ILE 45 N -4.12 1.17 -5.01 0.00 2.08 -0.99 -5.01 119.36 107.48 3mle n ILE 45 Ca -0.01 -0.39 -0.32 0.00 0.56 0.00 0.00 62.75 62.59 3mle n ILE 45 Cb 0.40 -1.43 -0.17 0.00 -0.75 0.00 0.00 39.64 37.69 3mle n ILE 45 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 3mle s ASN 46 N -6.33 3.12 -0.29 4.38 2.47 -0.48 -5.01 114.94 112.80 3mle s ASN 46 Ca -0.28 -0.57 0.08 0.00 0.42 0.00 0.00 52.86 52.51 3mle s ASN 46 Cb 0.09 -1.43 0.47 0.00 -1.45 0.00 0.00 41.25 38.93 3mle s ASN 46 CO 0.43 0.13 1.37 1.41 -3.72 0.00 0.00 177.10 176.73 3mle n HIS 47 N 3.72 1.16 -0.61 0.43 8.25 -1.26 -4.42 115.22 122.48 3mle n HIS 47 Ca -0.19 -1.76 0.06 0.00 -0.26 0.00 0.00 57.72 55.57 3mle n HIS 47 Cb 0.52 -0.44 0.10 0.00 1.12 0.00 0.00 29.99 31.29 3mle n HIS 47 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3mle n SER 48 N -1.04 2.40 -4.62 0.41 7.64 -1.26 -4.71 113.62 112.43 3mle n SER 48 Ca 0.32 -2.61 -0.30 0.00 1.01 0.00 0.00 58.87 57.29 3mle n SER 48 Cb 0.91 -0.27 0.19 0.00 -1.01 0.00 0.00 64.21 64.02 3mle n SER 48 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3mle s SER 49 N -1.98 2.39 0.19 6.43 1.04 -1.26 -4.68 113.70 115.82 3mle s SER 49 Ca 0.21 1.85 -0.12 0.00 0.48 0.00 0.00 55.95 58.37 3mle s SER 49 Cb 0.17 -2.42 0.22 0.00 0.10 0.00 0.00 66.02 64.09 3mle s SER 49 CO 0.03 -3.38 1.73 0.44 0.98 0.00 0.00 173.24 173.05 3mle h ASP 50 N -2.06 0.12 -0.51 7.02 3.32 -1.98 -1.17 116.42 121.16 3mle h ASP 50 Ca -0.50 0.08 0.07 0.00 0.02 0.00 0.00 57.03 56.69 3mle h ASP 50 Cb 1.29 0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.87 3mle h ASP 50 CO 0.47 0.09 0.19 0.00 -1.72 0.00 0.00 179.24 178.26 3mle h ALA 51 N 1.39 0.63 -0.23 3.45 0.00 -1.90 -0.91 119.26 121.68 3mle h ALA 51 Ca 0.27 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.26 3mle h ALA 51 Cb 0.34 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3mle h ALA 51 CO -0.30 -0.20 0.09 0.45 0.00 0.00 0.00 179.25 179.28 3mle h HIS 52 N 0.37 0.16 -0.65 0.00 3.86 -1.57 0.21 115.15 117.53 3mle h HIS 52 Ca 0.24 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.47 3mle h HIS 52 Cb 0.25 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.65 3mle h HIS 52 CO -0.16 0.08 0.43 -0.07 0.86 0.00 0.00 177.93 179.07 3mle h LEU 53 N 0.20 0.74 -0.64 2.43 3.38 -0.91 -2.52 115.31 117.99 3mle h LEU 53 Ca 0.10 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3mle h LEU 53 Cb 0.06 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3mle h LEU 53 CO -0.09 0.54 0.31 -0.26 0.09 0.00 0.00 178.44 179.03 3mle h PHE 54 N 0.88 0.92 -0.38 1.13 -1.00 -0.79 -2.58 116.94 115.12 3mle h PHE 54 Ca 0.24 -0.04 0.03 0.00 2.81 0.00 0.00 57.97 61.00 3mle h PHE 54 Cb -0.10 -0.29 -0.03 0.00 3.61 0.00 0.00 35.95 39.14 3mle h PHE 54 CO -0.03 0.69 0.18 1.25 -1.61 0.00 0.00 178.31 178.79 3mle h LEU 55 N 0.88 0.25 -1.37 1.54 5.85 -0.16 0.74 115.31 123.04 3mle h LEU 55 Ca 0.22 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.92 3mle h LEU 55 Cb 0.12 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3mle h LEU 55 CO -0.03 0.18 -0.09 -0.61 -0.34 0.00 0.00 178.44 177.56 3mle h GLN 56 N 0.36 0.31 -0.15 1.25 4.15 -1.52 0.04 115.11 119.56 3mle h GLN 56 Ca 0.16 -0.07 -0.22 0.00 0.77 0.00 0.00 58.65 59.29 3mle h GLN 56 Cb 0.09 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 27.74 3mle h GLN 56 CO -0.13 0.42 -0.79 -0.44 -1.93 0.00 0.00 178.83 175.96 3mle h ASP 57 N 0.30 0.93 -0.05 -0.69 5.19 -0.64 -3.20 116.42 118.26 3mle h ASP 57 Ca 0.06 -0.62 -0.03 0.00 -0.62 0.00 0.00 57.03 55.83 3mle h ASP 57 Cb 0.35 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 3mle h ASP 57 CO 0.02 1.42 -0.04 0.78 -3.12 0.00 0.00 179.24 178.30 3mle h ASN 58 N 0.53 0.21 0.71 6.45 2.35 -0.63 -2.81 115.58 122.38 3mle h ASN 58 Ca -0.06 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3mle h ASN 58 Cb 1.42 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.73 3mle h ASN 58 CO 0.16 0.29 0.00 0.03 -1.65 0.00 0.00 177.43 176.26 3mle h ARG 59 N 0.23 0.00 0.00 0.81 3.08 -0.99 0.11 114.38 117.62 3mle h ARG 59 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3mle h ARG 59 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3mle h ARG 59 CO 0.01 0.00 0.00 -0.07 -1.07 0.00 0.00 179.97 178.84 3mle h LEU 60 N 0.00 0.00 0.00 3.04 3.38 -1.62 -2.91 115.31 117.20 3mle h LEU 60 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 3mle h LEU 60 Cb 0.35 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 3mle h LEU 60 CO 0.00 0.00 -2.32 0.18 0.09 0.00 0.00 178.44 176.39 3mle n LEU 61 N -3.06 2.92 -3.44 1.67 4.77 -0.14 -4.90 117.00 114.82 3mle n LEU 61 Ca 0.00 -0.10 -0.23 0.00 -0.03 0.00 0.00 56.01 55.65 3mle n LEU 61 Cb 0.29 -0.80 -0.11 0.00 -2.33 0.00 0.00 43.42 40.46 3mle n LEU 61 CO 0.26 0.87 -0.25 -0.62 -1.33 0.00 0.00 177.39 176.33 3mle s ASP 62 N -6.29 2.35 0.53 -1.43 2.15 -0.24 -5.02 116.67 108.72 3mle s ASP 62 Ca -0.31 -1.45 0.21 0.00 0.43 0.00 0.00 52.55 51.43 3mle s ASP 62 Cb 0.08 0.08 1.42 0.00 -0.30 0.00 0.00 42.92 44.21 3mle s ASP 62 CO 0.53 -0.35 2.16 -0.09 -0.17 0.00 0.00 175.17 177.25 3mle h ARG 63 N 7.70 0.00 0.00 4.34 1.12 -1.76 -2.27 114.38 123.51 3mle h ARG 63 Ca -0.06 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.81 3mle h ARG 63 Cb 1.03 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.99 3mle h ARG 63 CO 0.31 0.02 0.00 -1.13 -3.11 0.00 0.00 179.97 176.06 3mle n SER 64 N -4.26 0.44 -4.76 -3.80 3.41 -1.26 -4.82 113.62 98.56 3mle n SER 64 Ca -0.03 0.64 -0.37 0.00 -0.26 0.00 0.00 58.87 58.84 3mle n SER 64 Cb 0.11 -0.72 0.01 0.00 -0.26 0.00 0.00 64.21 63.35 3mle n SER 64 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mle s LEU 65 N -4.04 3.94 0.18 1.04 1.43 -0.85 -5.05 118.68 115.33 3mle s LEU 65 Ca 0.03 2.44 0.05 0.00 -1.03 0.00 0.00 54.13 55.62 3mle s LEU 65 Cb 0.08 -4.28 -0.05 0.00 0.03 0.00 0.00 46.19 41.97 3mle s LEU 65 CO 0.29 -1.15 -0.09 0.42 0.23 0.00 0.00 176.35 176.05 3mle s THR 66 N -1.48 1.27 0.20 5.49 -4.23 -1.26 -4.98 115.64 110.64 3mle s THR 66 Ca 0.67 -2.09 -0.12 0.00 -1.18 0.00 0.00 61.69 58.97 3mle s THR 66 Cb -0.32 -2.00 0.18 0.00 1.34 0.00 0.00 72.50 71.70 3mle s THR 66 CO 0.38 -0.63 1.67 0.25 -0.54 0.00 0.00 174.62 175.76 3mle h LEU 67 N 2.66 -0.25 -2.23 4.79 5.85 -1.94 0.79 115.31 124.97 3mle h LEU 67 Ca -0.37 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3mle h LEU 67 Cb 1.20 0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.48 3mle h LEU 67 CO 0.64 -0.10 0.00 0.11 -0.34 0.00 0.00 178.44 178.75 3mle h LYS 68 N 0.12 0.00 0.00 1.25 6.56 -1.98 -1.28 116.57 121.25 3mle h LYS 68 Ca 0.30 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.77 3mle h LYS 68 Cb 0.47 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.11 3mle h LYS 68 CO -0.49 0.00 -0.57 -0.44 -2.06 0.00 0.00 179.45 175.89 3mle h ASP 69 N 0.00 0.00 -0.00 0.86 3.32 -1.25 -3.36 116.42 115.99 3mle h ASP 69 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3mle h ASP 69 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3mle h ASP 69 CO 0.00 0.57 -0.07 2.30 -1.72 0.00 0.00 179.24 180.32 3mle n ILE 70 N -3.67 0.00 -3.77 0.35 -5.35 -0.72 -4.99 119.36 101.21 3mle n ILE 70 Ca -0.01 -0.46 -0.13 0.00 -0.27 0.00 0.00 62.75 61.88 3mle n ILE 70 Cb 0.61 1.03 -0.14 0.00 -1.74 0.00 0.00 39.64 39.40 3mle n ILE 70 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3mle s SER 71 N -0.81 -0.13 0.00 7.28 0.15 -0.56 -1.85 113.70 117.77 3mle s SER 71 Ca 0.02 0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.98 3mle s SER 71 Cb 0.02 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 3mle s SER 71 CO 0.08 -0.12 0.00 0.49 1.20 0.00 0.00 173.24 174.89 3mle n PHE 72 N 3.89 0.00 -4.05 3.44 3.72 -0.55 -4.28 117.46 119.63 3mle n PHE 72 Ca -0.23 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.84 3mle n PHE 72 Cb 0.54 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.92 3mle n PHE 72 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3mle s TYR 73 N -1.99 2.96 -0.05 1.38 2.02 -0.43 -5.04 117.35 116.20 3mle s TYR 73 Ca 0.00 -1.70 0.00 0.00 -0.37 0.00 0.00 57.07 55.00 3mle s TYR 73 Cb 0.00 -1.97 0.02 0.00 -0.40 0.00 0.00 41.96 39.61 3mle s TYR 73 CO 0.00 -0.78 -0.02 1.03 -1.57 0.00 0.00 175.55 174.21 3mle s ARG 74 N 1.28 0.65 0.06 -0.62 0.52 -1.26 -1.04 118.95 118.55 3mle s ARG 74 Ca 0.01 0.00 0.05 0.00 -0.52 0.00 0.00 55.73 55.27 3mle s ARG 74 Cb -0.15 -0.82 -0.03 0.00 0.52 0.00 0.00 34.95 34.47 3mle s ARG 74 CO -0.09 -0.17 -0.13 0.71 0.02 0.00 0.00 175.30 175.65 3mle s TYR 75 N 1.30 1.11 0.17 -0.53 2.02 -0.75 -5.02 117.35 115.65 3mle s TYR 75 Ca -0.05 -0.46 -0.06 0.00 -0.37 0.00 0.00 57.07 56.12 3mle s TYR 75 Cb -0.13 -0.63 0.06 0.00 -0.40 0.00 0.00 41.96 40.85 3mle s TYR 75 CO -0.02 0.03 1.50 0.45 -1.57 0.00 0.00 175.55 175.94 3mle h HIS 76 N 4.35 0.88 -3.17 2.71 3.86 -1.90 -1.07 115.15 120.81 3mle h HIS 76 Ca -0.40 -0.29 -0.53 0.00 -1.16 0.00 0.00 60.37 58.00 3mle h HIS 76 Cb 1.19 -0.18 0.05 0.00 1.06 0.00 0.00 27.41 29.54 3mle h HIS 76 CO 0.63 1.06 0.81 0.21 0.86 0.00 0.00 177.93 181.50 3mle s LYS 77 N -4.18 4.24 -1.24 2.45 2.20 -1.26 -3.60 119.74 118.35 3mle s LYS 77 Ca -0.09 2.33 -0.16 0.00 -0.36 0.00 0.00 55.97 57.70 3mle s LYS 77 Cb 0.11 -3.12 0.13 0.00 -1.51 0.00 0.00 37.83 33.44 3mle s LYS 77 CO 0.86 -0.50 1.55 0.08 -0.36 0.00 0.00 175.35 176.98 3mle s VAL 78 N 0.44 4.64 0.35 4.02 1.01 -1.26 -1.02 120.40 128.58 3mle s VAL 78 Ca 0.64 -2.29 -0.17 0.00 0.00 0.00 0.00 61.98 60.15 3mle s VAL 78 Cb -0.43 -5.03 0.04 0.00 0.00 0.00 0.00 36.38 30.97 3mle s VAL 78 CO 0.39 -1.79 0.77 -0.94 0.00 0.00 0.00 175.10 173.53 3mle s SER 79 N 3.45 -0.08 0.45 3.32 1.04 -1.26 -4.95 113.70 115.67 3mle s SER 79 Ca 0.47 -0.97 -0.25 0.00 0.48 0.00 0.00 55.95 55.68 3mle s SER 79 Cb -0.00 0.81 -0.09 0.00 0.10 0.00 0.00 66.02 66.85 3mle s SER 79 CO 0.03 -1.58 1.40 0.00 0.98 0.00 0.00 173.24 174.07 3mle n ALA 80 N -0.51 1.89 -0.23 5.32 0.00 -1.26 -4.77 120.51 120.95 3mle n ALA 80 Ca -0.07 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3mle n ALA 80 Cb 0.60 -2.37 0.12 0.00 0.00 0.00 0.00 19.45 17.80 3mle n ALA 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3mle h PRO 81 N 2.23 0.55 -0.65 0.00 0.11 -1.90 -2.01 132.00 130.32 3mle h PRO 81 Ca -0.50 -0.03 0.12 0.00 0.11 0.00 0.00 66.00 65.69 3mle h PRO 81 Cb 1.27 -0.12 -0.09 0.00 0.11 0.00 0.00 31.00 32.17 3mle h PRO 81 CO 0.61 0.36 0.20 1.25 -0.21 0.00 0.00 178.00 180.21 3mle h LEU 82 N 0.56 0.13 -0.23 2.35 5.85 -1.54 0.35 115.31 122.79 3mle h LEU 82 Ca 0.32 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 59.12 3mle h LEU 82 Cb 0.33 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3mle h LEU 82 CO -0.26 0.06 0.04 0.40 -0.34 0.00 0.00 178.44 178.35 3mle h ILE 83 N 0.35 1.22 0.07 4.05 1.08 -1.68 -1.62 117.51 120.99 3mle h ILE 83 Ca 0.35 -0.74 0.02 0.00 -0.39 0.00 0.00 64.86 64.09 3mle h ILE 83 Cb 0.51 1.28 -0.03 0.00 -3.07 0.00 0.00 36.82 35.50 3mle h ILE 83 CO -0.39 0.23 -0.21 0.00 -0.69 0.00 0.00 178.15 177.09 3mle h ALA 84 N 0.85 -0.33 0.06 1.87 0.00 -0.72 -2.53 119.26 118.46 3mle h ALA 84 Ca 0.07 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3mle h ALA 84 Cb 0.31 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 3mle h ALA 84 CO 0.00 -0.73 -0.45 0.37 0.00 0.00 0.00 179.25 178.44 3mle h GLN 85 N -0.38 -0.62 -0.89 0.00 -0.00 -0.23 0.63 115.11 113.61 3mle h GLN 85 Ca 0.04 0.04 0.14 0.00 -0.00 0.00 0.00 58.65 58.87 3mle h GLN 85 Cb 0.42 0.14 -0.07 0.00 0.00 0.00 0.00 27.48 27.97 3mle h GLN 85 CO -0.15 -0.42 0.58 1.96 0.00 0.00 0.00 178.83 180.80 3mle h GLN 86 N -0.65 0.68 0.24 1.69 4.20 -1.23 0.52 115.11 120.57 3mle h GLN 86 Ca 0.03 -0.04 -0.32 0.00 0.06 0.00 0.00 58.65 58.38 3mle h GLN 86 Cb 0.69 -0.15 0.04 0.00 0.30 0.00 0.00 27.48 28.35 3mle h GLN 86 CO -0.29 0.45 -1.40 1.49 -0.67 0.00 0.00 178.83 178.41 3mle h GLU 87 N 0.70 0.50 0.00 1.46 4.81 -1.10 -3.32 114.58 117.64 3mle h GLU 87 Ca 0.45 -0.86 -0.21 0.00 -0.13 0.00 0.00 59.36 58.60 3mle h GLU 87 Cb 0.71 0.32 -0.04 0.00 0.63 0.00 0.00 28.75 30.37 3mle h GLU 87 CO -0.21 1.41 -2.15 0.39 -0.73 0.00 0.00 179.01 177.73 3mle n GLU 88 N -3.78 0.67 -3.06 1.92 1.02 0.18 -4.67 120.64 112.93 3mle n GLU 88 Ca -0.17 -0.06 -0.17 0.00 -0.02 0.00 0.00 57.16 56.74 3mle n GLU 88 Cb 1.07 -1.55 -0.01 0.00 -0.02 0.00 0.00 31.44 30.92 3mle n GLU 88 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3mle n ASP 89 N -2.58 -0.33 -0.19 1.62 -0.08 0.18 -5.00 116.55 110.17 3mle n ASP 89 Ca -0.20 -3.08 0.10 0.00 -1.51 0.00 0.00 54.79 50.10 3mle n ASP 89 Cb 0.91 0.10 0.40 0.00 2.34 0.00 0.00 41.12 44.87 3mle n ASP 89 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3mle h PRO 90 N 3.39 0.63 -0.06 -0.67 0.11 -1.63 -2.02 132.00 131.75 3mle h PRO 90 Ca 0.03 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3mle h PRO 90 Cb 0.97 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3mle h PRO 90 CO 0.41 0.41 0.00 0.09 -0.21 0.00 0.00 178.00 178.70 3mle n ASN 91 N -4.50 0.46 -3.31 -2.05 3.02 -1.26 -4.46 115.26 103.16 3mle n ASN 91 Ca 0.13 -1.67 -0.26 0.00 -0.03 0.00 0.00 54.58 52.74 3mle n ASN 91 Cb 0.34 -0.04 -0.09 0.00 -0.61 0.00 0.00 39.78 39.39 3mle n ASN 91 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mle n ALA 92 N -0.40 2.72 -1.34 5.41 0.00 -0.76 -5.12 120.51 121.03 3mle n ALA 92 Ca 0.10 -3.35 -0.35 0.00 0.00 0.00 0.00 53.44 49.85 3mle n ALA 92 Cb 0.11 -0.79 0.10 0.00 0.00 0.00 0.00 19.45 18.87 3mle n ALA 92 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3mle n PRO 93 N 2.07 0.51 -2.21 0.00 -0.02 -1.26 -4.89 135.00 129.20 3mle n PRO 93 Ca 0.25 0.24 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 3mle n PRO 93 Cb 0.50 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 3mle n PRO 93 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3mle s ILE 94 N -1.85 3.26 -0.49 4.25 1.01 -1.26 -4.97 121.20 121.15 3mle s ILE 94 Ca 0.76 1.00 -0.12 0.00 0.00 0.00 0.00 60.65 62.29 3mle s ILE 94 Cb -0.33 -3.64 0.12 0.00 0.01 0.00 0.00 42.46 38.62 3mle s ILE 94 CO 0.48 0.13 0.39 -0.62 0.00 0.00 0.00 174.94 175.32 3mle s ASP 95 N 0.56 5.87 0.33 3.58 -1.08 -1.26 -4.89 116.67 119.77 3mle s ASP 95 Ca 0.59 -1.83 0.10 0.00 -0.52 0.00 0.00 52.55 50.89 3mle s ASP 95 Cb -0.36 -2.08 0.58 0.00 -1.46 0.00 0.00 42.92 39.60 3mle s ASP 95 CO 0.36 -0.74 1.76 0.71 0.52 0.00 0.00 175.17 177.78 3mle h THR 96 N 6.04 1.30 0.07 1.71 1.35 -1.98 -1.16 112.91 120.25 3mle h THR 96 Ca -0.24 -1.45 -0.00 0.00 -0.55 0.00 0.00 66.41 64.16 3mle h THR 96 Cb 1.08 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 3mle h THR 96 CO 0.91 0.42 -0.04 0.44 -0.25 0.00 0.00 175.52 177.01 3mle h ASP 97 N 0.08 -0.08 0.04 5.36 5.19 -1.99 0.95 116.42 125.96 3mle h ASP 97 Ca 0.01 -0.04 0.03 0.00 -0.62 0.00 0.00 57.03 56.40 3mle h ASP 97 Cb 0.76 0.02 -0.05 0.00 0.18 0.00 0.00 39.33 40.24 3mle h ASP 97 CO 0.06 -0.01 -0.34 -1.13 -3.12 0.00 0.00 179.24 174.70 3mle h ASN 98 N -0.15 -1.00 -0.85 6.45 -1.24 -1.93 -2.11 115.58 114.76 3mle h ASN 98 Ca -0.01 0.12 0.13 0.00 0.71 0.00 0.00 56.30 57.26 3mle h ASN 98 Cb 0.12 0.39 -0.09 0.00 0.73 0.00 0.00 38.32 39.47 3mle h ASN 98 CO 0.02 -0.40 0.46 -0.07 -1.29 0.00 0.00 177.43 176.14 3mle h LEU 99 N -0.51 0.58 -0.40 0.34 3.38 -1.04 -1.51 115.31 116.16 3mle h LEU 99 Ca 0.05 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3mle h LEU 99 Cb 0.58 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3mle h LEU 99 CO -0.25 0.27 0.23 0.74 0.09 0.00 0.00 178.44 179.52 3mle h THR 100 N 0.68 1.14 -0.01 0.22 2.02 -0.36 -0.39 112.91 116.20 3mle h THR 100 Ca 0.45 -0.34 0.03 0.00 0.77 0.00 0.00 66.41 67.32 3mle h THR 100 Cb 0.58 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 3mle h THR 100 CO -0.33 0.14 -0.26 1.56 0.37 0.00 0.00 175.52 177.01 3mle h GLN 101 N 0.51 -0.37 -0.75 6.66 4.20 -0.64 -1.00 115.11 123.71 3mle h GLN 101 Ca 0.14 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 3mle h GLN 101 Cb 0.03 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 3mle h GLN 101 CO -0.02 -0.25 0.44 0.00 -0.67 0.00 0.00 178.83 178.32 3mle h ARG 102 N -0.39 1.03 -0.04 1.46 3.08 -1.08 0.70 114.38 119.14 3mle h ARG 102 Ca 0.07 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3mle h ARG 102 Cb 0.48 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3mle h ARG 102 CO -0.23 0.73 -0.09 -0.07 -1.07 0.00 0.00 179.97 179.24 3mle h LEU 103 N 1.04 0.16 -1.13 3.04 3.38 -0.78 -3.21 115.31 117.80 3mle h LEU 103 Ca 0.27 -0.58 -0.06 0.00 0.09 0.00 0.00 57.88 57.60 3mle h LEU 103 Cb -0.02 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3mle h LEU 103 CO -0.05 0.71 -0.06 0.45 0.09 0.00 0.00 178.44 179.57 3mle h HIS 104 N -0.38 0.56 -0.93 1.13 3.86 -0.93 -1.85 115.15 116.61 3mle h HIS 104 Ca 0.00 -0.07 0.28 0.00 -1.16 0.00 0.00 60.37 59.41 3mle h HIS 104 Cb 0.68 -0.16 -0.15 0.00 1.06 0.00 0.00 27.41 28.84 3mle h HIS 104 CO 0.12 0.59 0.29 -0.91 0.86 0.00 0.00 177.93 178.88 3mle h ASN 105 N 0.50 0.04 0.27 2.45 2.35 -0.87 0.39 115.58 120.71 3mle h ASN 105 Ca 0.10 0.22 -0.04 0.00 -0.55 0.00 0.00 56.30 56.03 3mle h ASN 105 Cb 0.42 0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 3mle h ASN 105 CO 0.02 -0.22 -0.18 -0.26 -1.65 0.00 0.00 177.43 175.15 3mle h PHE 106 N 0.17 0.00 0.00 1.19 0.04 -1.36 -2.24 116.94 114.74 3mle h PHE 106 Ca 0.62 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.39 3mle h PHE 106 Cb 1.35 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.50 3mle h PHE 106 CO -0.23 0.18 0.00 1.79 -0.60 0.00 0.00 178.31 179.44 3mle h THR 107 N 0.00 0.00 -0.36 -1.55 1.35 -0.27 0.11 112.91 112.19 3mle h THR 107 Ca -0.00 -0.25 -0.05 0.00 -0.55 0.00 0.00 66.41 65.56 3mle h THR 107 Cb 0.36 1.19 -0.02 0.00 -1.73 0.00 0.00 68.15 67.95 3mle h THR 107 CO 0.02 0.00 0.01 0.11 -0.25 0.00 0.00 175.52 175.41 3mle h LYS 108 N 0.00 0.56 -0.00 4.72 1.57 -1.41 -1.98 116.57 120.04 3mle h LYS 108 Ca 0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3mle h LYS 108 Cb 0.26 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3mle h LYS 108 CO 0.00 0.58 -0.04 0.25 -0.57 0.00 0.00 179.45 179.67 3mle n THR 109 N -4.27 0.00 -5.23 -0.16 -2.24 -0.78 -4.87 114.28 96.72 3mle n THR 109 Ca 0.02 -0.48 -0.30 0.00 -2.27 0.00 0.00 64.05 61.02 3mle n THR 109 Cb 0.25 1.02 -0.16 0.00 -2.10 0.00 0.00 70.33 69.34 3mle n THR 109 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3mle s TYR 110 N -0.66 2.27 0.28 4.78 2.02 -0.04 -5.03 117.35 120.97 3mle s TYR 110 Ca 0.02 -0.54 -0.01 0.00 -0.37 0.00 0.00 57.07 56.17 3mle s TYR 110 Cb 0.02 -1.48 0.47 0.00 -0.40 0.00 0.00 41.96 40.57 3mle s TYR 110 CO 0.05 -0.11 1.88 -0.44 -1.57 0.00 0.00 175.55 175.36 3mle h ASP 111 N 5.77 0.99 -3.36 2.29 3.32 -1.51 -3.31 116.42 120.61 3mle h ASP 111 Ca -0.38 0.02 -0.27 0.00 0.02 0.00 0.00 57.03 56.42 3mle h ASP 111 Cb 1.15 -0.19 -0.33 0.00 0.22 0.00 0.00 39.33 40.17 3mle h ASP 111 CO 0.47 0.61 -0.63 -0.22 -1.72 0.00 0.00 179.24 177.75 3mle s LEU 112 N -10.14 0.57 -0.35 1.55 2.96 -0.56 -1.64 118.68 111.07 3mle s LEU 112 Ca -0.12 0.26 -0.06 0.00 -0.22 0.00 0.00 54.13 53.99 3mle s LEU 112 Cb 0.21 0.26 0.06 0.00 0.50 0.00 0.00 46.19 47.21 3mle s LEU 112 CO 0.81 -0.17 0.12 -0.69 -1.32 0.00 0.00 176.35 175.10 3mle s VAL 113 N 1.45 3.65 -0.16 1.68 1.01 0.28 -1.81 120.40 126.49 3mle s VAL 113 Ca -0.06 -1.34 -0.19 0.00 0.00 0.00 0.00 61.98 60.39 3mle s VAL 113 Cb -0.12 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 3mle s VAL 113 CO -0.05 -0.28 0.54 -0.63 0.00 0.00 0.00 175.10 174.67 3mle s ILE 114 N 1.34 5.11 -0.27 2.22 1.01 -0.47 -1.32 121.20 128.83 3mle s ILE 114 Ca -0.00 1.05 0.01 0.00 0.00 0.00 0.00 60.65 61.70 3mle s ILE 114 Cb -0.21 -3.87 0.05 0.00 0.01 0.00 0.00 42.46 38.44 3mle s ILE 114 CO 0.01 0.23 -0.07 -0.69 0.00 0.00 0.00 174.94 174.41 3mle s VAL 115 N 1.24 2.54 -0.14 2.92 1.01 0.85 -0.60 120.40 128.22 3mle s VAL 115 Ca 0.27 -1.41 -0.28 0.00 0.00 0.00 0.00 61.98 60.56 3mle s VAL 115 Cb -0.16 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 3mle s VAL 115 CO 0.11 0.02 0.96 -0.70 0.00 0.00 0.00 175.10 175.49 3mle s GLU 116 N 1.20 4.37 0.00 2.72 2.12 0.51 -0.33 118.70 129.30 3mle s GLU 116 Ca -0.05 1.29 0.00 0.00 0.36 0.00 0.00 54.97 56.57 3mle s GLU 116 Cb -0.19 -3.56 0.00 0.00 0.26 0.00 0.00 34.13 30.64 3mle s GLU 116 CO -0.04 -0.35 0.00 0.41 -0.54 0.00 0.00 175.26 174.74 3mle n GLY 117 N 3.21 -1.97 2.93 -1.50 0.00 -0.43 -4.22 105.19 103.21 3mle n GLY 117 Ca 0.08 -1.45 -0.21 0.00 0.00 0.00 0.00 46.02 44.45 3mle n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mle s ALA 118 N -3.14 0.78 0.00 4.61 0.00 -1.26 -4.92 121.76 117.83 3mle s ALA 118 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.81 3mle s ALA 118 Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.70 3mle s ALA 118 CO 0.00 0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.21 3mle n GLY 119 N 3.87 2.95 0.00 0.00 0.00 -1.26 -4.82 105.19 105.93 3mle n GLY 119 Ca -0.24 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.47 3mle n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mle n GLY 120 N 0.00 1.81 0.21 -0.02 0.00 -1.26 -3.79 105.19 102.14 3mle n GLY 120 Ca 0.00 -2.08 -0.11 0.00 0.00 0.00 0.00 46.02 43.84 3mle n GLY 120 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mle h LEU 121 N 0.00 0.66 -1.71 0.99 3.38 -1.88 -3.21 115.31 113.54 3mle h LEU 121 Ca 0.00 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3mle h LEU 121 Cb 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.56 3mle h LEU 121 CO 0.00 1.10 0.00 0.00 0.09 0.00 0.00 178.44 179.63 3mle s VAL 123 N -1.49 3.19 0.16 0.00 1.01 -1.21 -4.79 120.40 117.27 3mle s VAL 123 Ca 0.34 0.45 -0.30 0.00 0.00 0.00 0.00 61.98 62.46 3mle s VAL 123 Cb 0.18 -3.29 -0.07 0.00 0.00 0.00 0.00 36.38 33.20 3mle s VAL 123 CO 0.25 -0.02 0.98 -2.16 0.00 0.00 0.00 175.10 174.15 3mle s PRO 124 N 3.48 4.73 -0.25 2.72 0.04 -1.26 -1.43 135.00 143.02 3mle s PRO 124 Ca 0.77 1.51 -0.08 0.00 0.04 0.00 0.00 61.00 63.24 3mle s PRO 124 Cb -0.38 -3.33 -0.12 0.00 0.04 0.00 0.00 34.50 30.70 3mle s PRO 124 CO 0.33 0.29 -0.29 -0.89 0.04 0.00 0.00 177.00 176.48 3mle n ILE 125 N 2.29 1.38 -4.36 0.56 5.41 0.12 -2.43 119.36 122.33 3mle n ILE 125 Ca 0.01 -0.41 -0.19 0.00 1.00 0.00 0.00 62.75 63.17 3mle n ILE 125 Cb 0.48 -1.69 -0.10 0.00 -0.71 0.00 0.00 39.64 37.62 3mle n ILE 125 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3mle s THR 126 N -2.47 0.68 0.42 1.39 -4.23 -0.66 -3.60 115.64 107.17 3mle s THR 126 Ca -0.34 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.39 3mle s THR 126 Cb 0.12 -2.64 0.43 0.00 1.34 0.00 0.00 72.50 71.75 3mle s THR 126 CO 0.48 0.00 1.74 -0.07 -0.54 0.00 0.00 174.62 176.23 3mle h LEU 127 N 2.25 0.36 0.00 4.79 3.38 -1.97 -2.35 115.31 121.78 3mle h LEU 127 Ca -0.38 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3mle h LEU 127 Cb 1.25 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3mle h LEU 127 CO 0.61 0.02 -1.08 -0.62 0.09 0.00 0.00 178.44 177.47 3mle n GLU 128 N -4.60 1.23 -4.16 1.13 -0.58 -1.26 -5.03 120.64 107.38 3mle n GLU 128 Ca 0.28 -0.05 -0.16 0.00 -0.42 0.00 0.00 57.16 56.81 3mle n GLU 128 Cb 1.02 -1.32 -0.14 0.00 -0.57 0.00 0.00 31.44 30.44 3mle n GLU 128 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3mle s GLU 129 N -2.75 0.48 0.47 3.49 2.02 -0.88 -5.10 118.70 116.43 3mle s GLU 129 Ca 0.03 -0.31 0.02 0.00 0.02 0.00 0.00 54.97 54.72 3mle s GLU 129 Cb 0.12 -0.42 0.02 0.00 0.10 0.00 0.00 34.13 33.95 3mle s GLU 129 CO 0.69 0.11 0.15 0.27 0.02 0.00 0.00 175.26 176.49 3mle n ASN 130 N 2.65 2.99 -0.32 -0.19 0.23 -1.26 -0.70 115.26 118.66 3mle n ASN 130 Ca -0.15 -2.88 -0.00 0.00 -0.53 0.00 0.00 54.58 51.02 3mle n ASN 130 Cb 0.57 0.18 0.13 0.00 -2.08 0.00 0.00 39.78 38.58 3mle n ASN 130 CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 3mle h MET 131 N 0.00 1.03 -0.30 -3.83 2.86 -1.17 -1.00 114.93 112.52 3mle h MET 131 Ca -0.35 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 3mle h MET 131 Cb 1.14 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 3mle h MET 131 CO 0.57 0.68 0.20 1.25 1.06 0.00 0.00 176.91 180.67 3mle h LEU 132 N 1.06 0.35 -0.51 1.22 5.85 -1.43 -0.40 115.31 121.45 3mle h LEU 132 Ca 0.37 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 59.15 3mle h LEU 132 Cb 0.08 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 3mle h LEU 132 CO -0.14 0.26 0.13 0.44 -0.34 0.00 0.00 178.44 178.79 3mle h ASP 133 N 0.40 0.07 0.01 1.25 3.32 -1.65 -0.87 116.42 118.96 3mle h ASP 133 Ca 0.11 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.25 3mle h ASP 133 Cb -0.04 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3mle h ASP 133 CO -0.02 0.06 -0.05 0.15 -1.72 0.00 0.00 179.24 177.66 3mle h PHE 134 N 0.28 -0.13 -0.76 4.55 3.57 -0.77 0.73 116.94 124.42 3mle h PHE 134 Ca 0.25 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.83 3mle h PHE 134 Cb 0.32 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 3mle h PHE 134 CO -0.20 -0.08 0.50 0.00 -2.23 0.00 0.00 178.31 176.29 3mle h ALA 135 N 0.88 1.71 -0.18 2.41 0.00 -0.49 -1.03 119.26 122.56 3mle h ALA 135 Ca 0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3mle h ALA 135 Cb 0.12 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3mle h ALA 135 CO -0.05 0.17 -0.11 -0.07 0.00 0.00 0.00 179.25 179.19 3mle h LEU 136 N 0.77 0.41 -0.99 0.00 3.38 -0.70 -2.58 115.31 115.60 3mle h LEU 136 Ca 0.33 -0.43 0.06 0.00 0.09 0.00 0.00 57.88 57.93 3mle h LEU 136 Cb 0.31 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.87 3mle h LEU 136 CO -0.12 0.76 0.64 0.50 0.09 0.00 0.00 178.44 180.31 3mle h LYS 137 N 0.07 1.12 0.00 1.13 3.64 -0.08 0.15 116.57 122.60 3mle h LYS 137 Ca 0.04 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3mle h LYS 137 Cb 0.61 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3mle h LYS 137 CO 0.03 0.74 0.00 1.28 -2.27 0.00 0.00 179.45 179.23 3mle n LEU 138 N -4.52 0.00 -2.35 5.20 4.77 -0.46 -4.86 117.00 114.79 3mle n LEU 138 Ca 0.15 0.44 -0.13 0.00 -0.03 0.00 0.00 56.01 56.44 3mle n LEU 138 Cb 0.18 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 40.83 3mle n LEU 138 CO 0.32 -0.24 -0.16 0.29 -1.33 0.00 0.00 177.39 176.28 3mle n LYS 139 N -1.44 -2.13 -2.18 3.23 4.76 0.54 -4.92 118.16 116.02 3mle n LYS 139 Ca 0.04 0.62 -0.28 0.00 -2.87 0.00 0.00 58.31 55.82 3mle n LYS 139 Cb 0.14 -5.19 0.04 0.00 -1.84 0.00 0.00 35.03 28.18 3mle n LYS 139 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3mle s ALA 140 N -2.58 3.12 0.35 7.82 0.00 -0.99 -4.96 121.76 124.52 3mle s ALA 140 Ca 0.00 -0.56 -0.13 0.00 0.00 0.00 0.00 51.96 51.27 3mle s ALA 140 Cb 0.00 -2.78 -0.08 0.00 0.00 0.00 0.00 23.12 20.26 3mle s ALA 140 CO 0.00 -0.97 0.74 0.15 0.00 0.00 0.00 175.76 175.69 3mle s LYS 141 N -5.16 3.91 -0.16 0.00 1.02 -0.76 -4.72 119.74 113.88 3mle s LYS 141 Ca 0.56 0.58 -0.01 0.00 0.02 0.00 0.00 55.97 57.12 3mle s LYS 141 Cb -0.11 -2.42 -0.01 0.00 -0.52 0.00 0.00 37.83 34.77 3mle s LYS 141 CO 0.48 0.09 -0.12 1.41 -0.92 0.00 0.00 175.35 176.29 3mle s MET 142 N -3.30 3.32 -0.27 1.68 -2.45 -0.02 0.58 119.30 118.84 3mle s MET 142 Ca 0.53 -0.69 0.00 0.00 -1.25 0.00 0.00 55.69 54.28 3mle s MET 142 Cb -0.10 -2.71 0.05 0.00 1.25 0.00 0.00 34.83 33.31 3mle s MET 142 CO 0.23 0.05 -0.07 -1.17 1.05 0.00 0.00 175.02 175.11 3mle s LEU 143 N 0.76 3.45 -0.34 4.11 2.96 0.88 -0.91 118.68 129.60 3mle s LEU 143 Ca -0.05 -1.20 -0.11 0.00 -0.22 0.00 0.00 54.13 52.56 3mle s LEU 143 Cb -0.15 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 44.92 3mle s LEU 143 CO 0.01 -0.19 0.19 -0.22 -1.32 0.00 0.00 176.35 174.82 3mle s LEU 144 N 1.21 4.37 0.02 -0.68 0.20 -0.17 -1.44 118.68 122.19 3mle s LEU 144 Ca -0.05 -0.63 -0.21 0.00 0.69 0.00 0.00 54.13 53.94 3mle s LEU 144 Cb -0.19 -2.04 -0.06 0.00 -0.43 0.00 0.00 46.19 43.48 3mle s LEU 144 CO -0.04 -0.26 0.60 -0.63 -0.29 0.00 0.00 176.35 175.74 3mle s ILE 145 N 1.62 4.85 0.11 6.68 -1.09 0.11 -1.41 121.20 132.07 3mle s ILE 145 Ca 0.04 1.28 0.08 0.00 -2.23 0.00 0.00 60.65 59.82 3mle s ILE 145 Cb -0.18 -3.94 -0.04 0.00 -1.58 0.00 0.00 42.46 36.72 3mle s ILE 145 CO 0.07 0.44 -0.14 -0.55 -1.23 0.00 0.00 174.94 173.53 3mle s SER 146 N -0.38 4.12 0.91 3.58 0.15 0.80 -0.66 113.70 122.21 3mle s SER 146 Ca 0.31 -0.48 -0.12 0.00 0.70 0.00 0.00 55.95 56.36 3mle s SER 146 Cb -0.19 -0.68 0.14 0.00 -1.71 0.00 0.00 66.02 63.58 3mle s SER 146 CO 0.18 0.18 1.11 -1.38 1.20 0.00 0.00 173.24 174.53 3mle s HIS 147 N -1.18 2.42 -0.19 3.44 -3.43 -1.26 0.08 115.29 115.17 3mle s HIS 147 Ca 0.19 1.04 0.16 0.00 -0.80 0.00 0.00 55.06 55.65 3mle s HIS 147 Cb -0.11 -3.25 0.50 0.00 -1.43 0.00 0.00 32.58 28.30 3mle s HIS 147 CO 0.12 -2.40 1.40 -0.40 -2.00 0.00 0.00 174.74 171.46 3mle n ASP 148 N -3.84 3.51 -4.96 7.38 5.75 -1.24 -4.63 116.55 118.51 3mle n ASP 148 Ca 0.06 -3.14 -0.19 0.00 -0.01 0.00 0.00 54.79 51.52 3mle n ASP 148 Cb 0.57 -0.55 -0.01 0.00 -1.03 0.00 0.00 41.12 40.11 3mle n ASP 148 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3mle s ASN 149 N -2.13 5.56 -0.10 -1.12 0.01 -1.26 -4.76 114.94 111.14 3mle s ASN 149 Ca 0.41 -0.45 -0.39 0.00 -0.71 0.00 0.00 52.86 51.73 3mle s ASN 149 Cb 0.35 -0.78 -0.17 0.00 0.41 0.00 0.00 41.25 41.05 3mle s ASN 149 CO 0.07 -0.63 1.48 -0.11 -1.51 0.00 0.00 177.10 176.39 3mle n LEU 150 N -1.70 1.71 0.00 0.60 7.94 -1.26 -1.24 117.00 123.06 3mle n LEU 150 Ca 0.05 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.06 3mle n LEU 150 Cb 0.59 -1.12 0.00 0.00 0.53 0.00 0.00 43.42 43.42 3mle n LEU 150 CO 0.41 -0.90 0.00 0.61 -1.11 0.00 0.00 177.39 176.40 3mle n GLY 151 N 3.13 0.65 0.21 -3.96 0.00 -1.26 -4.98 105.19 98.97 3mle n GLY 151 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.24 3mle n GLY 151 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 3mle h LEU 152 N 0.00 0.23 0.22 0.99 8.10 -1.48 -2.68 115.31 120.69 3mle h LEU 152 Ca 0.00 -0.08 0.00 0.00 0.11 0.00 0.00 57.88 57.91 3mle h LEU 152 Cb 0.00 -0.06 -0.02 0.00 -0.44 0.00 0.00 40.66 40.14 3mle h LEU 152 CO 0.00 0.57 -0.22 0.40 -4.11 0.00 0.00 178.44 175.08 3mle h ILE 153 N 0.20 0.53 -0.44 0.15 2.04 -1.94 0.20 117.51 118.25 3mle h ILE 153 Ca 0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.93 3mle h ILE 153 Cb 0.71 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 3mle h ILE 153 CO 0.05 0.00 0.19 -1.13 0.00 0.00 0.00 178.15 177.26 3mle h ASN 154 N -0.47 0.24 -0.24 1.72 -1.24 -1.95 0.18 115.58 113.82 3mle h ASN 154 Ca -0.00 0.04 -0.04 0.00 0.71 0.00 0.00 56.30 57.01 3mle h ASN 154 Cb 0.44 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.48 3mle h ASN 154 CO -0.05 0.17 0.01 0.44 -1.29 0.00 0.00 177.43 176.72 3mle h ASP 155 N 0.38 0.41 -0.06 1.15 3.32 -1.26 -0.50 116.42 119.85 3mle h ASP 155 Ca 0.20 -0.29 0.01 0.00 0.02 0.00 0.00 57.03 56.97 3mle h ASP 155 Cb 0.15 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3mle h ASP 155 CO -0.17 0.60 -0.01 0.00 -1.72 0.00 0.00 179.24 177.93 3mle h LEU 157 N 0.00 0.99 -0.36 0.00 3.38 -0.82 0.28 115.31 118.78 3mle h LEU 157 Ca 0.03 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.80 3mle h LEU 157 Cb 0.05 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.47 3mle h LEU 157 CO -0.07 1.03 0.02 -0.07 0.09 0.00 0.00 178.44 179.44 3mle h LEU 158 N 0.95 -0.11 -0.51 1.67 3.38 -0.97 0.11 115.31 119.83 3mle h LEU 158 Ca 0.18 0.08 -0.14 0.00 0.09 0.00 0.00 57.88 58.09 3mle h LEU 158 Cb 0.50 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3mle h LEU 158 CO 0.02 -0.02 -0.29 0.78 0.09 0.00 0.00 178.44 179.02 3mle h ASN 159 N 0.12 0.94 -0.55 -0.43 2.35 -0.88 -2.36 115.58 114.76 3mle h ASN 159 Ca 0.18 -0.38 0.06 0.00 -0.55 0.00 0.00 56.30 55.60 3mle h ASN 159 Cb 0.24 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.29 3mle h ASN 159 CO -0.28 1.16 0.27 -0.78 -1.65 0.00 0.00 177.43 176.15 3mle h ASP 160 N 0.76 0.37 -0.43 5.81 3.58 0.14 0.45 116.42 127.10 3mle h ASP 160 Ca 0.08 0.04 0.02 0.00 0.42 0.00 0.00 57.03 57.59 3mle h ASP 160 Cb 0.86 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.86 3mle h ASP 160 CO 0.08 0.24 0.26 0.15 -2.88 0.00 0.00 179.24 177.09 3mle h PHE 161 N 0.51 0.49 -0.22 0.28 3.57 -0.44 -0.38 116.94 120.74 3mle h PHE 161 Ca 0.25 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.73 3mle h PHE 161 Cb 0.19 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 3mle h PHE 161 CO -0.11 0.29 -0.03 1.25 -2.23 0.00 0.00 178.31 177.48 3mle h LEU 162 N 0.52 0.41 0.03 0.59 5.85 -0.91 -2.75 115.31 119.06 3mle h LEU 162 Ca 0.17 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 3mle h LEU 162 Cb -0.00 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.92 3mle h LEU 162 CO -0.07 0.65 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.59 3mle h LEU 163 N 0.15 -0.04 -2.67 2.25 3.38 -0.70 -2.81 115.31 114.88 3mle h LEU 163 Ca 0.06 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.80 3mle h LEU 163 Cb 0.46 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3mle h LEU 163 CO 0.02 0.22 0.06 0.07 0.09 0.00 0.00 178.44 178.89 3mle h LYS 164 N -0.30 0.00 0.00 1.13 2.10 -1.13 0.13 116.57 118.50 3mle h LYS 164 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3mle h LYS 164 Cb 0.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.60 3mle h LYS 164 CO 0.01 0.00 0.00 0.43 -2.00 0.00 0.00 179.45 177.89 3mle n SER 165 N -3.33 0.00 -4.12 7.07 7.64 -1.04 -4.88 113.62 114.97 3mle n SER 165 Ca -0.02 -1.17 -0.15 0.00 1.01 0.00 0.00 58.87 58.54 3mle n SER 165 Cb 0.14 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.22 3mle n SER 165 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3mle s HIS 166 N -2.00 0.91 -1.29 1.43 3.76 0.46 -5.07 115.29 113.48 3mle s HIS 166 Ca 0.29 -0.52 -0.17 0.00 -0.15 0.00 0.00 55.06 54.51 3mle s HIS 166 Cb 0.13 -0.52 0.08 0.00 1.11 0.00 0.00 32.58 33.38 3mle s HIS 166 CO 0.23 -0.03 1.72 0.94 -0.85 0.00 0.00 174.74 176.75 3mle n GLN 167 N 1.22 3.21 -3.70 1.40 -0.06 -1.26 -4.85 117.38 113.35 3mle n GLN 167 Ca -0.21 -3.33 -0.11 0.00 -2.00 0.00 0.00 57.00 51.35 3mle n GLN 167 Cb 0.55 -3.43 -0.06 0.00 -4.06 0.00 0.00 30.24 23.25 3mle n GLN 167 CO 0.00 0.00 0.00 -0.48 -0.20 0.00 0.00 177.06 176.38 3mle s LEU 168 N 3.76 0.68 -0.12 1.69 2.34 -1.26 -5.07 118.68 120.70 3mle s LEU 168 Ca 0.52 -0.29 -0.23 0.00 0.06 0.00 0.00 54.13 54.19 3mle s LEU 168 Cb 0.04 1.58 -0.03 0.00 -0.56 0.00 0.00 46.19 47.22 3mle s LEU 168 CO 0.06 -0.75 0.71 -1.81 -1.06 0.00 0.00 176.35 173.50 3mle s ASP 169 N -2.52 6.90 0.02 1.48 1.11 -1.26 -4.97 116.67 117.43 3mle s ASP 169 Ca 0.00 1.09 -0.02 0.00 0.18 0.00 0.00 52.55 53.80 3mle s ASP 169 Cb 0.01 -2.40 -0.02 0.00 1.07 0.00 0.00 42.92 41.58 3mle s ASP 169 CO -0.08 -0.21 0.01 -0.72 1.18 0.00 0.00 175.17 175.35 3mle s TYR 170 N 1.35 0.25 -0.00 4.23 -0.85 -1.26 -0.84 117.35 120.23 3mle s TYR 170 Ca 0.35 -0.54 0.05 0.00 -0.52 0.00 0.00 57.07 56.42 3mle s TYR 170 Cb -0.17 -0.19 -0.01 0.00 0.38 0.00 0.00 41.96 41.97 3mle s TYR 170 CO 0.15 -0.26 -0.16 0.15 -1.52 0.00 0.00 175.55 173.92 3mle s LYS 171 N -1.94 1.22 -0.23 -3.49 -0.14 -0.08 -4.98 119.74 110.10 3mle s LYS 171 Ca -0.11 -0.60 -0.08 0.00 -1.36 0.00 0.00 55.97 53.82 3mle s LYS 171 Cb -0.06 -1.19 -0.04 0.00 -1.68 0.00 0.00 37.83 34.86 3mle s LYS 171 CO -0.02 0.32 0.10 0.42 -0.76 0.00 0.00 175.35 175.41 3mle s ILE 172 N -0.44 4.78 -0.06 2.17 1.01 -1.26 -1.00 121.20 126.39 3mle s ILE 172 Ca 0.05 -0.02 0.05 0.00 0.00 0.00 0.00 60.65 60.73 3mle s ILE 172 Cb -0.06 -3.21 -0.01 0.00 0.01 0.00 0.00 42.46 39.18 3mle s ILE 172 CO -0.00 0.36 -0.21 0.00 0.00 0.00 0.00 174.94 175.08 3mle s ALA 173 N 1.17 2.32 -0.14 9.38 0.00 -0.50 -2.14 121.76 131.84 3mle s ALA 173 Ca 0.05 -1.02 -0.20 0.00 0.00 0.00 0.00 51.96 50.80 3mle s ALA 173 Cb -0.14 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 3mle s ALA 173 CO 0.04 0.43 0.55 0.42 0.00 0.00 0.00 175.76 177.20 3mle s ILE 174 N -0.23 5.12 -0.83 0.00 1.01 0.08 -0.14 121.20 126.21 3mle s ILE 174 Ca -0.01 1.08 -0.24 0.00 0.00 0.00 0.00 60.65 61.48 3mle s ILE 174 Cb -0.13 -3.88 0.06 0.00 0.01 0.00 0.00 42.46 38.51 3mle s ILE 174 CO 0.03 0.24 1.23 0.21 0.00 0.00 0.00 174.94 176.66 3mle s ASN 175 N 0.86 6.33 -0.38 3.58 2.47 0.11 -0.58 114.94 127.34 3mle s ASN 175 Ca 0.28 -1.10 -0.20 0.00 0.42 0.00 0.00 52.86 52.26 3mle s ASN 175 Cb -0.16 -2.51 0.01 0.00 -1.45 0.00 0.00 41.25 37.14 3mle s ASN 175 CO 0.11 -1.54 0.59 -0.22 -3.72 0.00 0.00 177.10 172.33 3mle s LEU 176 N 4.67 4.37 0.53 3.21 2.96 -1.26 -3.71 118.68 129.45 3mle s LEU 176 Ca 0.35 -0.06 -0.21 0.00 -0.22 0.00 0.00 54.13 53.99 3mle s LEU 176 Cb -0.07 -2.70 -0.05 0.00 0.50 0.00 0.00 46.19 43.87 3mle s LEU 176 CO 0.03 -0.61 1.21 -0.54 -1.32 0.00 0.00 176.35 175.12 3mle s LYS 177 N 2.62 3.33 0.21 1.98 -0.14 -1.26 -4.91 119.74 121.58 3mle s LYS 177 Ca 0.22 1.86 0.00 0.00 -1.36 0.00 0.00 55.97 56.69 3mle s LYS 177 Cb -0.15 -2.17 0.17 0.00 -1.68 0.00 0.00 37.83 34.01 3mle s LYS 177 CO 0.15 -0.93 1.52 0.78 -0.76 0.00 0.00 175.35 176.12 3mle h GLY 178 N 1.44 0.44 -0.62 -3.33 0.00 -2.05 -2.91 103.07 96.05 3mle h GLY 178 Ca -0.50 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.30 3mle h GLY 178 CO 0.57 0.47 0.00 1.16 0.00 0.00 0.00 176.54 178.75 3mle n ASN 179 N -3.91 0.94 -4.47 0.19 6.94 -1.26 -4.72 115.26 108.97 3mle n ASN 179 Ca -0.03 -1.97 -0.44 0.00 -0.02 0.00 0.00 54.58 52.12 3mle n ASN 179 Cb 0.62 -0.11 -0.02 0.00 -2.36 0.00 0.00 39.78 37.91 3mle n ASN 179 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3mle s ASN 180 N -1.04 6.79 0.10 0.53 3.84 -1.10 -4.80 114.94 119.25 3mle s ASN 180 Ca 0.13 -2.36 -0.20 0.00 0.21 0.00 0.00 52.86 50.64 3mle s ASN 180 Cb 0.07 -2.42 -0.08 0.00 -0.55 0.00 0.00 41.25 38.26 3mle s ASN 180 CO 0.09 -0.99 1.65 0.74 -2.79 0.00 0.00 177.10 175.81 3mle h THR 181 N 5.47 1.15 -0.96 -5.21 2.02 -1.89 -3.32 112.91 110.16 3mle h THR 181 Ca 0.23 -0.43 0.08 0.00 0.77 0.00 0.00 66.41 67.06 3mle h THR 181 Cb 0.96 1.06 -0.07 0.00 -1.74 0.00 0.00 68.15 68.37 3mle h THR 181 CO 1.19 0.14 0.62 0.00 0.37 0.00 0.00 175.52 177.84 3mle h ALA 182 N 0.94 1.49 -0.81 6.16 0.00 -1.99 -3.01 119.26 122.04 3mle h ALA 182 Ca 0.07 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 55.16 3mle h ALA 182 Cb 0.14 -0.27 -0.13 0.00 0.00 0.00 0.00 17.79 17.54 3mle h ALA 182 CO -0.01 0.35 0.20 0.35 0.00 0.00 0.00 179.25 180.14 3mle h PHE 183 N 1.07 0.31 -0.73 0.00 3.57 -1.86 -0.95 116.94 118.34 3mle h PHE 183 Ca 0.43 0.05 0.06 0.00 3.53 0.00 0.00 57.97 62.04 3mle h PHE 183 Cb 0.26 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 3mle h PHE 183 CO -0.00 -0.15 0.48 0.45 -2.23 0.00 0.00 178.31 176.86 3mle h HIS 184 N 0.24 0.78 0.00 0.41 -0.00 -1.75 -1.59 115.15 113.24 3mle h HIS 184 Ca 0.48 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.83 3mle h HIS 184 Cb 0.90 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 28.04 3mle h HIS 184 CO -0.27 0.42 -2.04 -1.13 -0.00 0.00 0.00 177.93 174.91 3mle n SER 185 N -4.48 0.01 -0.06 2.45 3.41 -0.78 -4.23 113.62 109.94 3mle n SER 185 Ca 0.11 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.50 3mle n SER 185 Cb 0.22 1.87 -0.13 0.00 -0.26 0.00 0.00 64.21 65.91 3mle n SER 185 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3mle n ILE 186 N -2.32 1.65 -0.03 -1.33 2.08 -0.43 -4.78 119.36 114.20 3mle n ILE 186 Ca -0.07 -0.43 -0.05 0.00 0.56 0.00 0.00 62.75 62.75 3mle n ILE 186 Cb 0.64 -1.81 -0.02 0.00 -0.75 0.00 0.00 39.64 37.70 3mle n ILE 186 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 3mle n SER 187 N -3.81 1.85 -0.29 4.38 7.64 -0.82 -4.80 113.62 117.77 3mle n SER 187 Ca -0.36 0.03 0.10 0.00 1.01 0.00 0.00 58.87 59.65 3mle n SER 187 Cb 0.92 -0.14 0.23 0.00 -1.01 0.00 0.00 64.21 64.21 3mle n SER 187 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3mle h LEU 188 N -0.12 -0.31 -0.62 -3.43 5.85 -1.49 -1.92 115.31 113.27 3mle h LEU 188 Ca -0.14 0.22 0.13 0.00 0.84 0.00 0.00 57.88 58.93 3mle h LEU 188 Cb 1.16 0.37 -0.10 0.00 0.37 0.00 0.00 40.66 42.46 3mle h LEU 188 CO -0.06 -0.23 0.04 -0.65 -0.34 0.00 0.00 178.44 177.20 3mle h PRO 189 N 0.10 0.15 -0.55 5.25 0.11 -1.85 0.46 132.00 135.67 3mle h PRO 189 Ca 0.50 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.52 3mle h PRO 189 Cb 0.97 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 3mle h PRO 189 CO -0.75 0.10 0.01 -0.92 -0.21 0.00 0.00 178.00 176.24 3mle h TYR 190 N 0.15 0.99 0.01 0.65 3.20 -1.68 -1.75 116.97 118.55 3mle h TYR 190 Ca 0.33 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3mle h TYR 190 Cb 0.53 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 3mle h TYR 190 CO -0.33 0.89 -0.01 0.82 -1.64 0.00 0.00 178.16 177.88 3mle h ILE 191 N 0.86 0.96 -0.26 1.81 1.08 -0.88 0.44 117.51 121.52 3mle h ILE 191 Ca 0.16 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.69 3mle h ILE 191 Cb 0.49 0.96 -0.06 0.00 -3.07 0.00 0.00 36.82 35.14 3mle h ILE 191 CO 0.02 0.00 -0.16 -0.33 -0.69 0.00 0.00 178.15 176.99 3mle h GLU 192 N -0.03 -0.14 -0.46 2.37 5.08 -0.84 0.25 114.58 120.82 3mle h GLU 192 Ca 0.00 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 3mle h GLU 192 Cb 0.03 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 3mle h GLU 192 CO -0.01 -0.09 0.26 1.25 -1.00 0.00 0.00 179.01 179.42 3mle h LEU 193 N -0.14 0.41 -0.67 1.33 6.46 -0.71 -1.33 115.31 120.65 3mle h LEU 193 Ca 0.14 0.01 0.07 0.00 -0.12 0.00 0.00 57.88 57.98 3mle h LEU 193 Cb 0.36 -0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 40.16 3mle h LEU 193 CO -0.35 0.29 0.36 0.15 -0.62 0.00 0.00 178.44 178.26 3mle h PHE 194 N 0.52 0.65 0.00 1.25 3.57 0.89 -2.69 116.94 121.12 3mle h PHE 194 Ca 0.19 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 3mle h PHE 194 Cb 0.04 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 3mle h PHE 194 CO -0.08 0.28 -0.24 -0.91 -2.23 0.00 0.00 178.31 175.13 3mle h ASN 195 N 0.64 0.00 0.35 0.41 2.35 0.50 -2.10 115.58 117.73 3mle h ASN 195 Ca 0.31 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.01 3mle h ASN 195 Cb 0.25 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 3mle h ASN 195 CO -0.21 0.24 -0.23 0.71 -1.65 0.00 0.00 177.43 176.29 3mle h THR 196 N 0.00 0.97 -0.01 2.81 1.35 -0.94 -3.24 112.91 113.85 3mle h THR 196 Ca -0.00 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 3mle h THR 196 Cb 0.53 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 3mle h THR 196 CO 0.03 0.23 -0.07 0.54 -0.25 0.00 0.00 175.52 176.00 3mle n ARG 197 N -3.97 1.11 -4.72 4.72 1.74 -0.92 -4.99 116.66 109.62 3mle n ARG 197 Ca -0.02 -1.07 -0.32 0.00 -0.77 0.00 0.00 57.85 55.67 3mle n ARG 197 Cb 0.31 -1.21 -0.12 0.00 -1.02 0.00 0.00 32.46 30.42 3mle n ARG 197 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3mle s SER 198 N -1.19 4.00 0.00 0.55 0.15 -0.84 -5.00 113.70 111.38 3mle s SER 198 Ca 0.13 -0.30 0.30 0.00 0.70 0.00 0.00 55.95 56.78 3mle s SER 198 Cb 0.10 -0.77 1.50 0.00 -1.71 0.00 0.00 66.02 65.14 3mle s SER 198 CO 0.20 0.29 2.00 -0.46 1.20 0.00 0.00 173.24 176.47 3mle n ASN 199 N 1.83 0.60 -3.35 5.45 0.23 -1.26 -4.21 115.26 114.55 3mle n ASN 199 Ca -0.16 -1.10 -0.26 0.00 -0.53 0.00 0.00 54.58 52.53 3mle n ASN 199 Cb 0.52 -0.01 -0.08 0.00 -2.08 0.00 0.00 39.78 38.13 3mle n ASN 199 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3mle n ASN 200 N -0.58 2.11 -4.67 0.53 2.85 -1.26 -5.12 115.26 109.13 3mle n ASN 200 Ca 0.21 -3.09 -0.37 0.00 -0.11 0.00 0.00 54.58 51.21 3mle n ASN 200 Cb 0.22 -0.66 0.06 0.00 1.24 0.00 0.00 39.78 40.65 3mle n ASN 200 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3mle n PRO 201 N 1.21 1.02 -3.19 1.20 -0.04 -1.26 -4.88 135.00 129.05 3mle n PRO 201 Ca 0.26 0.40 -0.39 0.00 -0.04 0.00 0.00 63.50 63.73 3mle n PRO 201 Cb 0.46 -2.34 -0.05 0.00 -0.04 0.00 0.00 33.50 31.53 3mle n PRO 201 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3mle s ILE 202 N -1.45 5.12 0.36 0.52 1.01 -1.26 -4.57 121.20 120.93 3mle s ILE 202 Ca 0.79 1.16 0.08 0.00 0.00 0.00 0.00 60.65 62.68 3mle s ILE 202 Cb -0.40 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 38.11 3mle s ILE 202 CO 0.44 0.27 0.12 0.68 0.00 0.00 0.00 174.94 176.46 3mle s VAL 203 N 0.83 2.78 -0.22 2.92 -7.23 -0.91 -4.97 120.40 113.60 3mle s VAL 203 Ca 0.30 -1.75 -0.18 0.00 -1.81 0.00 0.00 61.98 58.54 3mle s VAL 203 Cb -0.16 -2.94 -0.03 0.00 0.56 0.00 0.00 36.38 33.81 3mle s VAL 203 CO 0.13 -0.15 0.51 -0.63 -0.31 0.00 0.00 175.10 174.66 3mle s ILE 204 N -2.48 5.10 0.13 -0.62 1.01 -1.26 -0.74 121.20 122.33 3mle s ILE 204 Ca 0.38 0.92 -0.20 0.00 0.00 0.00 0.00 60.65 61.75 3mle s ILE 204 Cb -0.01 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 3mle s ILE 204 CO 0.22 0.15 1.72 0.15 0.00 0.00 0.00 174.94 177.18 3mle h PHE 205 N 7.62 -0.04 0.00 3.97 3.57 -1.14 -1.85 116.94 129.07 3mle h PHE 205 Ca -0.32 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.19 3mle h PHE 205 Cb 1.15 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.94 3mle h PHE 205 CO 0.72 -0.05 0.00 1.96 -2.23 0.00 0.00 178.31 178.71 3mle h GLN 206 N 0.04 0.00 -0.49 1.11 7.50 -1.91 -0.06 115.11 121.30 3mle h GLN 206 Ca 0.09 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.24 3mle h GLN 206 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.65 3mle h GLN 206 CO -0.17 0.00 0.00 1.04 -1.50 0.00 0.00 178.83 178.20 3mle n GLN 207 N -3.02 3.08 -0.64 1.46 6.02 -0.72 -4.57 117.38 118.99 3mle n GLN 207 Ca -0.02 -2.51 0.03 0.00 -0.01 0.00 0.00 57.00 54.50 3mle n GLN 207 Cb 0.12 -1.57 0.05 0.00 1.02 0.00 0.00 30.24 29.86 3mle n GLN 207 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3mle n SER 208 N 0.75 0.84 0.05 1.08 7.64 -0.04 -4.89 113.62 119.05 3mle n SER 208 Ca 0.19 -2.39 -0.11 0.00 1.01 0.00 0.00 58.87 57.57 3mle n SER 208 Cb 0.65 -0.30 -0.04 0.00 -1.01 0.00 0.00 64.21 63.51 3mle n SER 208 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3mle h LEU 209 N 0.31 -0.72 -0.01 -3.43 3.38 -1.80 0.30 115.31 113.33 3mle h LEU 209 Ca -0.05 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3mle h LEU 209 Cb 1.39 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 3mle h LEU 209 CO 0.02 -0.30 -0.03 0.50 0.09 0.00 0.00 178.44 178.72 3mle h LYS 210 N -0.36 -0.04 -0.68 1.13 3.64 -1.94 0.67 116.57 118.99 3mle h LYS 210 Ca 0.07 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 3mle h LYS 210 Cb 0.46 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 3mle h LYS 210 CO -0.23 -0.03 0.45 0.28 -2.27 0.00 0.00 179.45 177.64 3mle h VAL 211 N -0.05 1.11 0.02 2.00 2.07 -1.82 -1.79 116.25 117.79 3mle h VAL 211 Ca 0.02 -0.28 -0.22 0.00 0.82 0.00 0.00 66.70 67.04 3mle h VAL 211 Cb 0.07 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 3mle h VAL 211 CO -0.04 0.15 -1.03 -0.07 0.02 0.00 0.00 177.57 176.60 3mle h LEU 212 N 0.83 0.07 -0.22 2.57 3.38 0.24 -2.14 115.31 120.04 3mle h LEU 212 Ca 0.27 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3mle h LEU 212 Cb 0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3mle h LEU 212 CO -0.07 1.05 0.08 -0.03 0.09 0.00 0.00 178.44 179.56 3mle h MET 213 N 0.01 0.33 -0.13 1.13 4.05 -0.38 -0.87 114.93 119.08 3mle h MET 213 Ca -0.03 -0.06 0.03 0.00 -0.28 0.00 0.00 59.70 59.36 3mle h MET 213 Cb 1.78 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 32.50 3mle h MET 213 CO 0.14 0.39 -0.07 0.77 0.23 0.00 0.00 176.91 178.38 3mle h SER 214 N 0.20 -0.22 -0.47 1.39 0.02 -1.30 -1.18 113.55 111.98 3mle h SER 214 Ca 0.07 0.05 0.09 0.00 -0.84 0.00 0.00 61.79 61.17 3mle h SER 214 Cb 0.19 0.12 -0.09 0.00 0.14 0.00 0.00 62.40 62.77 3mle h SER 214 CO -0.01 -0.09 -0.07 0.15 -1.14 0.00 0.00 176.83 175.67 3mle h PHE 215 N -0.06 -0.16 -0.39 3.45 3.57 -1.28 0.23 116.94 122.30 3mle h PHE 215 Ca 0.07 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 3mle h PHE 215 Cb 0.17 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 3mle h PHE 215 CO -0.20 -0.17 0.11 0.00 -2.23 0.00 0.00 178.31 175.83 3mle h ALA 216 N 1.45 1.47 -0.01 2.41 0.00 -0.15 -2.92 119.26 121.52 3mle h ALA 216 Ca 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3mle h ALA 216 Cb 0.35 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3mle h ALA 216 CO -0.45 0.39 -0.68 1.28 0.00 0.00 0.00 179.25 179.79 3mle n LEU 217 N -4.35 1.39 -4.72 0.00 4.77 -0.54 -4.73 117.00 108.82 3mle n LEU 217 Ca 0.02 -0.55 -0.39 0.00 -0.03 0.00 0.00 56.01 55.06 3mle n LEU 217 Cb 0.18 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.26 3mle n LEU 217 CO 0.38 0.29 0.91 1.17 -1.33 0.00 0.00 177.39 178.81 3mle n LYS 218 N -0.81 1.77 0.00 3.23 3.00 0.75 -5.02 118.16 121.07 3mle n LYS 218 Ca 0.07 0.64 0.00 0.00 -0.00 0.00 0.00 58.31 59.02 3mle n LYS 218 Cb 0.39 -2.47 0.00 0.00 0.00 0.00 0.00 35.03 32.95 3mle n LYS 218 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81