#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 2.89 0.74 -4.13 2.00 -1.26 -4.71 119.66 115.19 3mle s GLN -2 Ca 0.00 -0.81 -0.07 0.00 -2.00 0.00 0.00 55.36 52.48 3mle s GLN -2 Cb 0.00 -2.52 0.09 0.00 0.80 0.00 0.00 33.01 31.37 3mle s GLN -2 CO 0.00 -0.22 1.05 0.20 -0.50 0.00 0.00 175.29 175.82 3mle s GLY -1 N 1.31 1.71 0.12 2.59 0.00 -0.45 -5.04 107.32 107.56 3mle s GLY -1 Ca 0.05 -1.05 0.03 0.00 0.00 0.00 0.00 44.72 43.75 3mle s GLY -1 CO -0.13 -0.58 0.19 0.30 0.00 0.00 0.00 173.10 172.88 3mle s HIS 0 N -3.32 3.33 -0.10 1.90 0.09 -0.59 -4.91 115.29 111.69 3mle s HIS 0 Ca 0.63 0.09 0.02 0.00 -0.00 0.00 0.00 55.06 55.80 3mle s HIS 0 Cb -0.09 -1.63 0.01 0.00 -0.00 0.00 0.00 32.58 30.87 3mle s HIS 0 CO 0.46 0.53 -0.17 1.41 -0.00 0.00 0.00 174.74 176.97 3mle s MET 1 N -2.91 2.37 -0.22 1.40 0.00 -1.26 0.24 119.30 118.92 3mle s MET 1 Ca 0.33 -0.62 -0.02 0.00 0.00 0.00 0.00 55.69 55.38 3mle s MET 1 Cb -0.11 -1.95 0.01 0.00 0.00 0.00 0.00 34.83 32.78 3mle s MET 1 CO 0.26 -0.01 -0.09 -1.17 0.00 0.00 0.00 175.02 174.01 3mle s LEU 2 N 0.82 2.85 0.01 4.11 2.96 -0.10 -1.67 118.68 127.66 3mle s LEU 2 Ca -0.10 -0.68 -0.21 0.00 -0.22 0.00 0.00 54.13 52.93 3mle s LEU 2 Cb -0.16 -1.64 -0.06 0.00 0.50 0.00 0.00 46.19 44.84 3mle s LEU 2 CO 0.01 -0.06 0.60 0.12 -1.32 0.00 0.00 176.35 175.69 3mle s PHE 3 N 1.36 3.70 -0.19 5.38 5.36 0.21 -0.08 117.98 133.73 3mle s PHE 3 Ca 0.03 1.22 -0.00 0.00 -0.96 0.00 0.00 56.93 57.22 3mle s PHE 3 Cb -0.15 -2.61 0.01 0.00 -0.34 0.00 0.00 43.02 39.93 3mle s PHE 3 CO -0.06 0.38 -0.15 0.42 -1.46 0.00 0.00 175.22 174.35 3mle s ILE 4 N -0.30 2.48 0.12 3.12 1.01 0.81 -0.13 121.20 128.31 3mle s ILE 4 Ca 0.31 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 60.17 3mle s ILE 4 Cb -0.18 -2.07 -0.00 0.00 0.01 0.00 0.00 42.46 40.21 3mle s ILE 4 CO 0.18 0.51 0.04 -0.24 0.00 0.00 0.00 174.94 175.42 3mle n SER 5 N 4.60 1.21 -3.92 3.58 2.88 -0.37 -0.95 113.62 120.65 3mle n SER 5 Ca -0.20 -1.64 -0.09 0.00 -1.33 0.00 0.00 58.87 55.61 3mle n SER 5 Cb 0.50 0.28 -0.04 0.00 -0.75 0.00 0.00 64.21 64.20 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 -2.32 -0.55 0.30 -1.46 0.00 -1.25 0.11 121.76 116.59 3mle s ALA 6 Ca 0.05 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.36 3mle s ALA 6 Cb 0.00 0.97 0.45 0.00 0.00 0.00 0.00 23.12 24.55 3mle s ALA 6 CO 0.04 -0.86 1.93 1.79 0.00 0.00 0.00 175.76 178.65 3mle h THR 7 N 2.22 1.21 -2.28 0.00 1.35 -1.19 -3.37 112.91 110.84 3mle h THR 7 Ca -0.26 -0.51 0.04 0.00 -0.55 0.00 0.00 66.41 65.14 3mle h THR 7 Cb 1.25 0.24 -0.01 0.00 -1.73 0.00 0.00 68.15 67.91 3mle h THR 7 CO 0.34 0.23 0.24 -3.20 -0.25 0.00 0.00 175.52 172.89 3mle n ASN 8 N -4.37 -1.06 -4.73 5.36 2.85 -1.26 -4.78 115.26 107.27 3mle n ASN 8 Ca 0.07 -1.64 -0.33 0.00 -0.11 0.00 0.00 54.58 52.57 3mle n ASN 8 Cb 0.09 1.74 0.09 0.00 1.24 0.00 0.00 39.78 42.94 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 -2.39 2.48 -1.40 -0.44 -1.32 -1.26 -3.54 115.64 107.77 3mle s THR 9 Ca 0.11 0.22 -0.05 0.00 -1.21 0.00 0.00 61.69 60.76 3mle s THR 9 Cb -0.02 -2.71 0.01 0.00 -1.51 0.00 0.00 72.50 68.26 3mle s THR 9 CO 0.04 -0.14 0.65 -3.20 -2.21 0.00 0.00 174.62 169.76 3mle n ASN 10 N -2.89 -5.82 -0.04 8.08 5.15 -1.26 -4.90 115.26 113.57 3mle n ASN 10 Ca 0.13 -0.30 0.03 0.00 -0.60 0.00 0.00 54.58 53.83 3mle n ASN 10 Cb 0.51 -4.61 -0.15 0.00 -0.53 0.00 0.00 39.78 35.00 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 -3.65 2.27 0.00 5.20 0.00 -1.23 -5.00 120.51 118.10 3mle n ALA 11 Ca -0.09 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.57 3mle n ALA 11 Cb 0.60 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 1.54 0.88 0.41 0.00 0.00 -1.26 -4.32 105.19 102.44 3mle n GLY 12 Ca -0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.32 0.14 1.61 1.57 -1.92 -0.10 116.57 117.55 3mle h LYS 13 Ca 0.00 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3mle h LYS 13 Cb 0.00 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3mle h LYS 13 CO 0.00 -0.21 -0.06 1.15 -0.57 0.00 0.00 179.45 179.75 3mle h THR 14 N -0.33 0.92 -0.17 -0.16 2.02 -1.97 0.21 112.91 113.43 3mle h THR 14 Ca 0.13 -0.21 0.02 0.00 0.77 0.00 0.00 66.41 67.12 3mle h THR 14 Cb 0.59 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 3mle h THR 14 CO -0.59 0.05 0.05 0.74 0.37 0.00 0.00 175.52 176.14 3mle h THR 15 N -0.28 0.95 -0.47 3.16 2.02 -1.93 -1.78 112.91 114.59 3mle h THR 15 Ca -0.02 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 3mle h THR 15 Cb 0.22 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3mle h THR 15 CO 0.03 0.02 0.16 0.00 0.37 0.00 0.00 175.52 176.11 3mle h ALA 17 N 1.01 0.23 -0.05 0.00 0.00 -0.31 -0.03 119.26 120.11 3mle h ALA 17 Ca 0.15 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 3mle h ALA 17 Cb 0.24 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3mle h ALA 17 CO -0.01 -0.50 0.02 0.00 0.00 0.00 0.00 179.25 178.77 3mle h ARG 18 N -0.06 0.07 -0.94 0.00 3.08 -0.93 -0.45 114.38 115.16 3mle h ARG 18 Ca 0.23 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.39 3mle h ARG 18 Cb 0.42 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.37 3mle h ARG 18 CO -0.53 0.17 0.56 -0.07 -1.07 0.00 0.00 179.97 179.04 3mle h LEU 19 N -0.05 0.80 -0.15 3.04 3.38 -0.49 0.20 115.31 122.04 3mle h LEU 19 Ca 0.02 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3mle h LEU 19 Cb 0.13 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3mle h LEU 19 CO -0.00 0.41 -0.09 0.25 0.09 0.00 0.00 178.44 179.10 3mle h LEU 20 N 0.87 0.34 -0.36 1.67 5.85 -0.72 -2.21 115.31 120.74 3mle h LEU 20 Ca 0.48 -0.43 0.02 0.00 0.84 0.00 0.00 57.88 58.79 3mle h LEU 20 Cb 0.52 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 3mle h LEU 20 CO -0.29 0.69 0.20 0.00 -0.34 0.00 0.00 178.44 178.71 3mle h ALA 21 N 0.65 0.45 -0.41 1.25 0.00 -0.63 -0.56 119.26 120.01 3mle h ALA 21 Ca 0.03 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3mle h ALA 21 Cb 0.57 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 3mle h ALA 21 CO 0.02 -0.15 0.02 0.37 0.00 0.00 0.00 179.25 179.51 3mle h GLN 22 N 0.41 0.13 0.13 0.00 4.15 -0.61 0.16 115.11 119.47 3mle h GLN 22 Ca 0.15 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 3mle h GLN 22 Cb 0.02 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3mle h GLN 22 CO -0.08 0.08 -0.06 -0.92 -1.93 0.00 0.00 178.83 175.92 3mle h TYR 23 N 0.13 -0.17 -0.05 3.99 3.20 -1.01 -1.73 116.97 121.34 3mle h TYR 23 Ca 0.20 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.11 3mle h TYR 23 Cb 0.28 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.57 3mle h TYR 23 CO -0.26 0.01 -0.20 0.00 -1.64 0.00 0.00 178.16 176.07 3mle h ASN 25 N -0.30 0.73 -0.05 0.00 2.35 -0.56 0.96 115.58 118.72 3mle h ASN 25 Ca 0.07 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.72 3mle h ASN 25 Cb 0.40 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 3mle h ASN 25 CO -0.22 0.54 -0.20 0.00 -1.65 0.00 0.00 177.43 175.90 3mle h ALA 26 N 1.59 1.22 -0.05 -0.83 0.00 -0.71 -2.12 119.26 118.36 3mle h ALA 26 Ca 0.23 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3mle h ALA 26 Cb -0.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3mle h ALA 26 CO -0.05 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.71 3mle n GLY 28 N 0.66 0.48 3.42 0.00 0.00 -0.80 -5.00 105.19 103.96 3mle n GLY 28 Ca 0.05 -0.41 -0.44 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.98 4.81 -0.44 1.61 1.01 0.23 -4.98 120.40 120.65 3mle s VAL 29 Ca 0.00 -0.66 -0.27 0.00 0.00 0.00 0.00 61.98 61.05 3mle s VAL 29 Cb 0.00 -4.40 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 3mle s VAL 29 CO 0.00 -0.98 2.03 -0.75 0.00 0.00 0.00 175.10 175.41 3mle s LYS 30 N 2.77 2.77 -0.15 2.72 2.36 -1.26 -2.88 119.74 126.08 3mle s LYS 30 Ca 0.15 1.26 0.02 0.00 -2.55 0.00 0.00 55.97 54.84 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 -2.53 -0.19 0.99 1.55 0.00 0.00 175.35 175.27 3mle s THR 31 N 9.13 1.88 0.07 3.43 2.01 -1.26 -1.07 115.64 129.83 3mle s THR 31 Ca 0.83 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.99 3mle s THR 31 Cb -0.20 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 3mle s THR 31 CO 0.28 0.51 0.20 -0.51 -0.69 0.00 0.00 174.62 174.41 3mle s ILE 32 N 1.08 5.27 -0.18 1.82 2.07 -0.77 -4.93 121.20 125.57 3mle s ILE 32 Ca -0.02 -0.47 -0.01 0.00 -1.41 0.00 0.00 60.65 58.74 3mle s ILE 32 Cb -0.14 -3.58 -0.00 0.00 0.13 0.00 0.00 42.46 38.86 3mle s ILE 32 CO -0.06 0.12 -0.12 -0.76 -1.91 0.00 0.00 174.94 172.20 3mle s LEU 33 N -2.56 2.58 -0.03 8.50 1.43 -1.26 -1.40 118.68 125.94 3mle s LEU 33 Ca 0.34 -0.46 0.07 0.00 -1.03 0.00 0.00 54.13 53.05 3mle s LEU 33 Cb -0.13 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 3mle s LEU 33 CO 0.27 0.04 -0.23 -0.76 0.23 0.00 0.00 176.35 175.90 3mle s LEU 34 N 1.07 2.04 -0.63 1.79 1.43 1.00 -4.80 118.68 120.57 3mle s LEU 34 Ca -0.00 -0.44 0.05 0.00 -1.03 0.00 0.00 54.13 52.71 3mle s LEU 34 Cb -0.15 -1.23 0.20 0.00 0.03 0.00 0.00 46.19 45.04 3mle s LEU 34 CO -0.03 0.26 0.55 1.17 0.23 0.00 0.00 176.35 178.53 3mle n LYS 35 N 2.71 1.75 -0.32 1.70 3.00 -0.74 -0.23 118.16 126.02 3mle n LYS 35 Ca -0.16 -4.29 -0.02 0.00 -0.00 0.00 0.00 58.31 53.83 3mle n LYS 35 Cb 0.52 -2.13 0.10 0.00 0.00 0.00 0.00 35.03 33.52 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 4.99 1.09 -5.06 1.64 0.13 -1.73 -3.38 132.00 129.68 3mle h PRO 36 Ca 0.17 -0.07 -0.63 0.00 -0.87 0.00 0.00 66.00 64.61 3mle h PRO 36 Cb 0.75 -0.25 -0.34 0.00 0.13 0.00 0.00 31.00 31.30 3mle h PRO 36 CO 0.69 0.72 -0.86 0.42 -0.23 0.00 0.00 178.00 178.74 3mle s ILE 37 N -6.11 1.80 -0.02 -3.56 1.01 -1.26 -1.21 121.20 111.85 3mle s ILE 37 Ca -0.13 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.65 3mle s ILE 37 Cb 0.17 -1.58 0.01 0.00 0.01 0.00 0.00 42.46 41.06 3mle s ILE 37 CO 0.80 0.50 0.06 -0.70 0.00 0.00 0.00 174.94 175.59 3mle s GLU 38 N 0.62 0.06 0.35 2.79 2.12 -0.20 -4.55 118.70 119.89 3mle s GLU 38 Ca -0.13 0.08 0.06 0.00 0.36 0.00 0.00 54.97 55.33 3mle s GLU 38 Cb -0.17 0.03 -0.07 0.00 0.26 0.00 0.00 34.13 34.19 3mle s GLU 38 CO 0.04 -0.01 0.01 0.95 -0.54 0.00 0.00 175.26 175.71 3mle s THR 39 N 0.03 1.64 -0.66 -1.70 -4.23 -1.26 -1.78 115.64 107.68 3mle s THR 39 Ca -0.00 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 3mle s THR 39 Cb -0.00 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 71.05 3mle s THR 39 CO 0.00 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 3mle n GLY 40 N -0.77 0.45 3.49 3.99 0.00 -0.12 -4.88 105.19 107.35 3mle n GLY 40 Ca -0.04 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.31 2.90 -0.35 1.61 -7.23 -0.10 -4.91 120.40 110.02 3mle s VAL 41 Ca 0.00 -1.40 -0.00 0.00 -1.81 0.00 0.00 61.98 58.76 3mle s VAL 41 Cb 0.00 -2.31 0.12 0.00 0.56 0.00 0.00 36.38 34.75 3mle s VAL 41 CO 0.00 0.15 0.17 0.21 -0.31 0.00 0.00 175.10 175.33 3mle s ASN 42 N -1.99 3.52 0.28 4.85 3.84 -1.26 -3.21 114.94 120.96 3mle s ASN 42 Ca 0.18 -1.99 0.26 0.00 0.21 0.00 0.00 52.86 51.51 3mle s ASN 42 Cb -0.11 -0.67 0.88 0.00 -0.55 0.00 0.00 41.25 40.81 3mle s ASN 42 CO 0.09 -0.35 1.76 0.44 -2.79 0.00 0.00 177.10 176.25 3mle h ASP 43 N 7.48 0.00 0.06 -4.21 3.32 -1.99 -1.44 116.42 119.64 3mle h ASP 43 Ca -0.06 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.91 3mle h ASP 43 Cb 0.98 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 3mle h ASP 43 CO 0.40 0.00 -0.27 0.00 -1.72 0.00 0.00 179.24 177.66 3mle h ALA 44 N 2.34 1.21 0.00 3.45 0.00 -2.06 -3.38 119.26 120.81 3mle h ALA 44 Ca 0.00 -0.33 -0.38 0.00 0.00 0.00 0.00 54.91 54.20 3mle h ALA 44 Cb 0.60 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 3mle h ALA 44 CO 0.00 0.52 -2.33 -0.89 0.00 0.00 0.00 179.25 176.54 3mle n ILE 45 N -4.13 1.32 -4.02 0.00 2.08 -0.78 -5.03 119.36 108.80 3mle n ILE 45 Ca -0.01 -0.42 -0.11 0.00 0.56 0.00 0.00 62.75 62.78 3mle n ILE 45 Cb 0.39 -1.57 -0.11 0.00 -0.75 0.00 0.00 39.64 37.60 3mle n ILE 45 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3mle s ASN 46 N -6.71 0.53 -0.26 4.38 2.20 -0.61 -5.05 114.94 109.42 3mle s ASN 46 Ca -0.32 -0.54 0.09 0.00 -0.94 0.00 0.00 52.86 51.14 3mle s ASN 46 Cb 0.11 0.07 0.45 0.00 -2.00 0.00 0.00 41.25 39.88 3mle s ASN 46 CO 0.48 -0.27 1.20 1.41 -2.94 0.00 0.00 177.10 176.98 3mle n HIS 47 N 1.47 1.79 -0.56 1.54 8.25 -1.26 -4.36 115.22 122.10 3mle n HIS 47 Ca -0.23 -1.97 0.04 0.00 -0.26 0.00 0.00 57.72 55.31 3mle n HIS 47 Cb 0.55 -0.31 0.06 0.00 1.12 0.00 0.00 29.99 31.42 3mle n HIS 47 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3mle n SER 48 N -0.84 2.05 -4.67 0.41 3.41 -1.26 -4.71 113.62 108.00 3mle n SER 48 Ca 0.35 -2.46 -0.30 0.00 -0.26 0.00 0.00 58.87 56.20 3mle n SER 48 Cb 0.87 -0.20 0.16 0.00 -0.26 0.00 0.00 64.21 64.79 3mle n SER 48 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3mle s SER 49 N -1.82 3.00 0.24 4.04 1.04 -1.26 -4.77 113.70 114.18 3mle s SER 49 Ca 0.14 1.68 -0.04 0.00 0.48 0.00 0.00 55.95 58.21 3mle s SER 49 Cb 0.13 -2.32 0.42 0.00 0.10 0.00 0.00 66.02 64.35 3mle s SER 49 CO 0.01 -2.96 1.78 0.44 0.98 0.00 0.00 173.24 173.49 3mle h ASP 50 N -1.77 0.55 -0.61 7.02 5.19 -1.97 -0.66 116.42 124.16 3mle h ASP 50 Ca -0.50 0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 55.96 3mle h ASP 50 Cb 1.28 -0.03 -0.03 0.00 0.18 0.00 0.00 39.33 40.73 3mle h ASP 50 CO 0.51 0.29 0.31 0.00 -3.12 0.00 0.00 179.24 177.23 3mle h ALA 51 N 1.48 1.35 -0.31 3.45 0.00 -1.91 -0.58 119.26 122.73 3mle h ALA 51 Ca 0.40 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 3mle h ALA 51 Cb 0.45 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3mle h ALA 51 CO -0.29 0.51 -0.13 0.45 0.00 0.00 0.00 179.25 179.79 3mle h HIS 52 N 0.90 0.74 -0.51 0.00 3.86 -1.47 0.69 115.15 119.36 3mle h HIS 52 Ca 0.22 -0.18 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3mle h HIS 52 Cb 0.09 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 3mle h HIS 52 CO 0.01 0.85 0.30 -0.07 0.86 0.00 0.00 177.93 179.89 3mle h LEU 53 N 0.41 0.61 -0.41 2.43 3.38 -1.04 -2.44 115.31 118.23 3mle h LEU 53 Ca 0.07 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3mle h LEU 53 Cb 0.65 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3mle h LEU 53 CO 0.04 0.49 0.21 -0.26 0.09 0.00 0.00 178.44 179.01 3mle h PHE 54 N 0.68 0.39 -0.60 1.13 -1.00 -0.94 -2.87 116.94 113.72 3mle h PHE 54 Ca 0.18 0.02 0.08 0.00 2.81 0.00 0.00 57.97 61.06 3mle h PHE 54 Cb -0.01 -0.12 -0.06 0.00 3.61 0.00 0.00 35.95 39.37 3mle h PHE 54 CO -0.03 0.21 0.27 1.25 -1.61 0.00 0.00 178.31 178.39 3mle h LEU 55 N 0.43 0.32 -1.16 1.54 5.85 -0.48 0.13 115.31 121.94 3mle h LEU 55 Ca 0.18 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 3mle h LEU 55 Cb 0.07 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3mle h LEU 55 CO -0.12 0.20 -0.31 1.56 -0.34 0.00 0.00 178.44 179.43 3mle h GLN 56 N 0.48 0.00 0.16 1.25 1.08 -1.32 -0.76 115.11 116.01 3mle h GLN 56 Ca 0.29 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 57.24 3mle h GLN 56 Cb 0.30 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.75 3mle h GLN 56 CO -0.25 0.31 -1.08 -0.44 -0.95 0.00 0.00 178.83 176.42 3mle h ASP 57 N 0.00 0.68 -0.45 1.46 5.19 -1.00 -3.30 116.42 119.00 3mle h ASP 57 Ca -0.00 -0.90 -0.01 0.00 -0.62 0.00 0.00 57.03 55.50 3mle h ASP 57 Cb 0.75 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 40.02 3mle h ASP 57 CO 0.04 1.52 0.26 0.78 -3.12 0.00 0.00 179.24 178.72 3mle h ASN 58 N -0.06 0.58 0.38 6.45 2.35 -0.60 -2.88 115.58 121.80 3mle h ASN 58 Ca -0.18 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 3mle h ASN 58 Cb 1.83 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 40.05 3mle h ASN 58 CO 0.21 0.47 0.00 0.03 -1.65 0.00 0.00 177.43 176.49 3mle h ARG 59 N 0.66 0.00 0.00 0.81 3.08 -1.21 0.14 114.38 117.86 3mle h ARG 59 Ca 0.17 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 3mle h ARG 59 Cb 0.02 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 3mle h ARG 59 CO -0.03 0.00 -0.05 -0.07 -1.07 0.00 0.00 179.97 178.76 3mle h LEU 60 N 0.00 0.00 0.02 3.04 3.38 -1.66 -2.86 115.31 117.23 3mle h LEU 60 Ca 0.00 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.57 3mle h LEU 60 Cb 0.19 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 3mle h LEU 60 CO 0.00 0.05 -2.38 0.18 0.09 0.00 0.00 178.44 176.38 3mle n LEU 61 N -3.17 2.65 -3.45 1.67 4.77 0.39 -4.89 117.00 114.97 3mle n LEU 61 Ca 0.00 0.04 -0.23 0.00 -0.03 0.00 0.00 56.01 55.79 3mle n LEU 61 Cb 0.32 -0.92 -0.11 0.00 -2.33 0.00 0.00 43.42 40.38 3mle n LEU 61 CO 0.28 0.81 -0.25 -0.62 -1.33 0.00 0.00 177.39 176.29 3mle s ASP 62 N -6.83 2.42 0.56 -1.43 2.15 -0.57 -5.02 116.67 107.95 3mle s ASP 62 Ca -0.34 -1.45 0.31 0.00 0.43 0.00 0.00 52.55 51.51 3mle s ASP 62 Cb 0.10 0.05 1.69 0.00 -0.30 0.00 0.00 42.92 44.45 3mle s ASP 62 CO 0.60 -0.36 2.15 -0.09 -0.17 0.00 0.00 175.17 177.30 3mle h ARG 63 N 7.73 0.00 0.00 4.34 9.65 -1.76 -2.28 114.38 132.05 3mle h ARG 63 Ca -0.06 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 3mle h ARG 63 Cb 1.03 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.61 3mle h ARG 63 CO 0.32 0.06 0.00 -1.13 2.80 0.00 0.00 179.97 182.02 3mle n SER 64 N -3.53 0.30 -4.75 -3.80 3.41 -1.26 -4.86 113.62 99.13 3mle n SER 64 Ca -0.02 0.57 -0.37 0.00 -0.26 0.00 0.00 58.87 58.79 3mle n SER 64 Cb 0.19 -0.64 0.03 0.00 -0.26 0.00 0.00 64.21 63.54 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 -3.66 3.72 0.23 1.04 1.43 -0.86 -5.05 118.68 115.53 3mle s LEU 65 Ca 0.07 2.47 0.04 0.00 -1.03 0.00 0.00 54.13 55.68 3mle s LEU 65 Cb 0.10 -4.52 -0.05 0.00 0.03 0.00 0.00 46.19 41.75 3mle s LEU 65 CO 0.35 -1.58 -0.03 0.42 0.23 0.00 0.00 176.35 175.74 3mle s THR 66 N -1.51 1.20 0.16 5.49 -4.23 -1.26 -5.00 115.64 110.49 3mle s THR 66 Ca 0.76 -2.06 -0.18 0.00 -1.18 0.00 0.00 61.69 59.02 3mle s THR 66 Cb -0.33 -2.31 0.09 0.00 1.34 0.00 0.00 72.50 71.29 3mle s THR 66 CO 0.36 -0.37 1.65 0.25 -0.54 0.00 0.00 174.62 175.98 3mle h LEU 67 N 2.46 -0.51 -2.58 4.79 5.85 -1.95 -0.80 115.31 122.58 3mle h LEU 67 Ca -0.38 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3mle h LEU 67 Cb 1.22 0.30 0.00 0.00 0.37 0.00 0.00 40.66 42.55 3mle h LEU 67 CO 0.65 -0.18 0.00 0.07 -0.34 0.00 0.00 178.44 178.64 3mle h LYS 68 N -0.07 0.00 0.00 1.25 -0.00 -1.98 -1.03 116.57 114.74 3mle h LYS 68 Ca 0.19 0.00 -0.11 0.00 -0.00 0.00 0.00 60.65 60.72 3mle h LYS 68 Cb 0.36 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.57 3mle h LYS 68 CO -0.43 0.00 -0.55 -0.44 -0.00 0.00 0.00 179.45 178.04 3mle h ASP 69 N 0.00 0.00 0.00 7.07 3.32 -1.55 -3.37 116.42 121.89 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 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3mle h ASP 69 CO 0.00 0.55 0.00 2.30 -1.72 0.00 0.00 179.24 180.37 3mle n ILE 70 N -3.44 0.00 -3.76 0.35 -5.35 -0.48 -4.99 119.36 101.69 3mle n ILE 70 Ca 0.00 -0.48 -0.13 0.00 -0.27 0.00 0.00 62.75 61.88 3mle n ILE 70 Cb 0.66 1.03 -0.13 0.00 -1.74 0.00 0.00 39.64 39.46 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 -0.32 -0.18 0.00 7.28 0.15 -0.66 -1.78 113.70 118.18 3mle s SER 71 Ca 0.00 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.04 3mle s SER 71 Cb 0.00 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 3mle s SER 71 CO 0.00 -0.12 0.00 0.49 1.20 0.00 0.00 173.24 174.81 3mle n PHE 72 N 3.79 0.00 -4.06 3.44 3.72 -0.47 -4.28 117.46 119.60 3mle n PHE 72 Ca -0.21 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 56.87 3mle n PHE 72 Cb 0.54 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.93 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 -1.92 2.87 -0.05 1.38 2.02 -0.35 -5.04 117.35 116.25 3mle s TYR 73 Ca 0.00 -1.92 0.01 0.00 -0.37 0.00 0.00 57.07 54.79 3mle s TYR 73 Cb 0.00 -1.83 0.02 0.00 -0.40 0.00 0.00 41.96 39.75 3mle s TYR 73 CO 0.00 -0.82 -0.06 1.03 -1.57 0.00 0.00 175.55 174.13 3mle s ARG 74 N 1.24 1.00 0.06 -0.62 0.52 -1.26 -1.03 118.95 118.87 3mle s ARG 74 Ca -0.03 -0.15 0.03 0.00 -0.52 0.00 0.00 55.73 55.06 3mle s ARG 74 Cb -0.17 -0.98 -0.03 0.00 0.52 0.00 0.00 34.95 34.29 3mle s ARG 74 CO -0.08 -0.09 -0.10 0.71 0.02 0.00 0.00 175.30 175.76 3mle s TYR 75 N 0.98 0.93 0.15 -0.53 2.02 -0.73 -5.02 117.35 115.15 3mle s TYR 75 Ca -0.10 -0.52 -0.08 0.00 -0.37 0.00 0.00 57.07 56.00 3mle s TYR 75 Cb -0.14 -0.53 -0.01 0.00 -0.40 0.00 0.00 41.96 40.88 3mle s TYR 75 CO -0.00 -0.02 1.44 0.45 -1.57 0.00 0.00 175.55 175.84 3mle h HIS 76 N 4.23 0.90 -3.01 2.71 3.86 -1.89 0.30 115.15 122.25 3mle h HIS 76 Ca -0.38 -0.33 -0.53 0.00 -1.16 0.00 0.00 60.37 57.97 3mle h HIS 76 Cb 1.20 -0.16 0.05 0.00 1.06 0.00 0.00 27.41 29.55 3mle h HIS 76 CO 0.64 1.12 0.86 0.21 0.86 0.00 0.00 177.93 181.62 3mle s LYS 77 N -4.00 4.21 -1.20 2.45 2.20 -1.26 -3.50 119.74 118.64 3mle s LYS 77 Ca -0.09 2.38 -0.16 0.00 -0.36 0.00 0.00 55.97 57.74 3mle s LYS 77 Cb 0.10 -3.12 0.13 0.00 -1.51 0.00 0.00 37.83 33.43 3mle s LYS 77 CO 0.87 -0.57 1.51 0.08 -0.36 0.00 0.00 175.35 176.88 3mle s VAL 78 N 0.74 4.64 0.35 4.02 1.01 -1.26 -1.60 120.40 128.29 3mle s VAL 78 Ca 0.67 -2.19 -0.14 0.00 0.00 0.00 0.00 61.98 60.32 3mle s VAL 78 Cb -0.44 -5.00 0.04 0.00 0.00 0.00 0.00 36.38 30.97 3mle s VAL 78 CO 0.36 -1.76 0.70 -0.94 0.00 0.00 0.00 175.10 173.46 3mle s SER 79 N 3.49 0.11 0.43 3.32 1.04 -1.26 -4.97 113.70 115.86 3mle s SER 79 Ca 0.46 -1.10 -0.25 0.00 0.48 0.00 0.00 55.95 55.54 3mle s SER 79 Cb -0.01 0.78 -0.10 0.00 0.10 0.00 0.00 66.02 66.80 3mle s SER 79 CO 0.01 -1.53 1.28 0.00 0.98 0.00 0.00 173.24 173.99 3mle n ALA 80 N -0.51 1.34 -0.26 5.32 0.00 -1.26 -4.80 120.51 120.33 3mle n ALA 80 Ca -0.06 0.26 0.01 0.00 0.00 0.00 0.00 53.44 53.66 3mle n ALA 80 Cb 0.60 -2.27 0.14 0.00 0.00 0.00 0.00 19.45 17.92 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 2.08 0.67 -0.57 0.00 0.11 -1.90 -2.30 132.00 130.09 3mle h PRO 81 Ca -0.48 -0.04 0.10 0.00 0.11 0.00 0.00 66.00 65.69 3mle h PRO 81 Cb 1.29 -0.15 -0.08 0.00 0.11 0.00 0.00 31.00 32.18 3mle h PRO 81 CO 0.60 0.44 0.16 1.25 -0.21 0.00 0.00 178.00 180.24 3mle h LEU 82 N 0.69 0.09 -0.43 2.35 5.85 -1.52 0.44 115.31 122.77 3mle h LEU 82 Ca 0.36 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 59.11 3mle h LEU 82 Cb 0.34 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 3mle h LEU 82 CO -0.25 0.06 0.04 0.40 -0.34 0.00 0.00 178.44 178.35 3mle h ILE 83 N 0.31 1.25 0.24 4.05 1.08 -1.72 -1.41 117.51 121.31 3mle h ILE 83 Ca 0.29 -0.96 -0.01 0.00 -0.39 0.00 0.00 64.86 63.79 3mle h ILE 83 Cb 0.39 1.03 -0.00 0.00 -3.07 0.00 0.00 36.82 35.17 3mle h ILE 83 CO -0.34 0.33 -0.15 0.00 -0.69 0.00 0.00 178.15 177.30 3mle h ALA 84 N 0.92 -0.36 0.04 1.87 0.00 -0.84 -2.76 119.26 118.13 3mle h ALA 84 Ca 0.13 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3mle h ALA 84 Cb 0.43 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3mle h ALA 84 CO 0.02 -0.71 -0.40 0.37 0.00 0.00 0.00 179.25 178.52 3mle h GLN 85 N -0.37 -0.56 -1.00 0.00 -0.00 -0.04 0.16 115.11 113.30 3mle h GLN 85 Ca -0.02 0.04 0.15 0.00 -0.00 0.00 0.00 58.65 58.82 3mle h GLN 85 Cb 0.31 0.13 -0.09 0.00 0.00 0.00 0.00 27.48 27.83 3mle h GLN 85 CO 0.02 -0.38 0.62 1.96 0.00 0.00 0.00 178.83 181.06 3mle h GLN 86 N -0.59 0.85 0.19 1.69 4.20 -1.28 0.51 115.11 120.69 3mle h GLN 86 Ca 0.04 -0.05 -0.32 0.00 0.06 0.00 0.00 58.65 58.38 3mle h GLN 86 Cb 0.65 -0.19 0.04 0.00 0.30 0.00 0.00 27.48 28.27 3mle h GLN 86 CO -0.28 0.56 -1.37 1.49 -0.67 0.00 0.00 178.83 178.56 3mle h GLU 87 N 0.87 0.59 0.00 1.46 4.81 -1.21 -3.31 114.58 117.79 3mle h GLU 87 Ca 0.53 -0.89 -0.25 0.00 -0.13 0.00 0.00 59.36 58.62 3mle h GLU 87 Cb 0.69 0.31 -0.05 0.00 0.63 0.00 0.00 28.75 30.34 3mle h GLU 87 CO -0.31 1.42 -2.26 0.39 -0.73 0.00 0.00 179.01 177.52 3mle n GLU 88 N -3.76 0.70 -3.09 1.92 1.02 0.02 -4.70 120.64 112.75 3mle n GLU 88 Ca -0.15 -0.07 -0.18 0.00 -0.02 0.00 0.00 57.16 56.74 3mle n GLU 88 Cb 1.05 -1.52 -0.02 0.00 -0.02 0.00 0.00 31.44 30.93 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 -2.59 -0.13 0.01 1.62 -0.08 0.18 -5.00 116.55 110.56 3mle n ASP 89 Ca -0.24 -3.01 0.09 0.00 -1.51 0.00 0.00 54.79 50.12 3mle n ASP 89 Cb 0.97 -0.09 0.51 0.00 2.34 0.00 0.00 41.12 44.85 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 3.44 0.36 -0.12 -0.67 0.11 -1.62 -1.99 132.00 131.50 3mle h PRO 90 Ca 0.04 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3mle h PRO 90 Cb 0.96 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3mle h PRO 90 CO 0.43 0.24 0.00 0.09 -0.21 0.00 0.00 178.00 178.54 3mle n ASN 91 N -4.48 0.83 -3.29 -2.05 3.02 -1.26 -4.50 115.26 103.53 3mle n ASN 91 Ca 0.05 -1.79 -0.25 0.00 -0.03 0.00 0.00 54.58 52.55 3mle n ASN 91 Cb 0.22 -0.08 -0.08 0.00 -0.61 0.00 0.00 39.78 39.22 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 -0.14 2.64 -1.28 5.41 0.00 -0.75 -5.12 120.51 121.28 3mle n ALA 92 Ca 0.10 -3.25 -0.35 0.00 0.00 0.00 0.00 53.44 49.94 3mle n ALA 92 Cb 0.16 -0.78 0.11 0.00 0.00 0.00 0.00 19.45 18.94 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 2.12 0.43 -2.21 0.00 -0.02 -1.26 -4.89 135.00 129.17 3mle n PRO 93 Ca 0.25 0.21 -0.42 0.00 -2.02 0.00 0.00 63.50 61.53 3mle n PRO 93 Cb 0.51 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 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 -1.91 3.46 -0.49 4.25 1.01 -1.26 -4.97 121.20 121.29 3mle s ILE 94 Ca 0.75 1.03 -0.14 0.00 0.00 0.00 0.00 60.65 62.28 3mle s ILE 94 Cb -0.32 -3.66 0.10 0.00 0.01 0.00 0.00 42.46 38.59 3mle s ILE 94 CO 0.49 0.07 0.42 -0.62 0.00 0.00 0.00 174.94 175.30 3mle s ASP 95 N 1.21 6.07 0.32 3.58 -1.08 -1.26 -4.88 116.67 120.63 3mle s ASP 95 Ca 0.64 -1.58 0.14 0.00 -0.52 0.00 0.00 52.55 51.22 3mle s ASP 95 Cb -0.35 -2.16 0.52 0.00 -1.46 0.00 0.00 42.92 39.47 3mle s ASP 95 CO 0.30 -0.72 1.68 0.71 0.52 0.00 0.00 175.17 177.65 3mle h THR 96 N 5.88 1.23 0.06 1.71 1.35 -1.98 -1.36 112.91 119.78 3mle h THR 96 Ca -0.28 -1.81 -0.00 0.00 -0.55 0.00 0.00 66.41 63.77 3mle h THR 96 Cb 1.10 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 69.53 3mle h THR 96 CO 0.93 0.49 -0.03 0.44 -0.25 0.00 0.00 175.52 177.11 3mle h ASP 97 N 0.00 -0.06 -0.03 5.36 3.32 -1.99 0.33 116.42 123.34 3mle h ASP 97 Ca -0.01 -0.09 0.03 0.00 0.02 0.00 0.00 57.03 56.99 3mle h ASP 97 Cb 0.97 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.49 3mle h ASP 97 CO 0.07 0.05 -0.24 -1.13 -1.72 0.00 0.00 179.24 176.26 3mle h ASN 98 N -0.17 -0.73 -0.86 6.45 -1.24 -1.95 -2.17 115.58 114.91 3mle h ASN 98 Ca -0.01 0.10 0.12 0.00 0.71 0.00 0.00 56.30 57.23 3mle h ASN 98 Cb 0.15 0.30 -0.09 0.00 0.73 0.00 0.00 38.32 39.41 3mle h ASN 98 CO 0.01 -0.31 0.48 -0.07 -1.29 0.00 0.00 177.43 176.25 3mle h LEU 99 N -0.36 0.64 -0.29 0.34 3.38 -1.17 -1.76 115.31 116.10 3mle h LEU 99 Ca 0.07 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3mle h LEU 99 Cb 0.46 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3mle h LEU 99 CO -0.24 0.32 0.17 0.74 0.09 0.00 0.00 178.44 179.52 3mle h THR 100 N 0.73 1.10 -0.19 0.22 2.02 -0.53 -0.40 112.91 115.87 3mle h THR 100 Ca 0.45 -0.24 0.04 0.00 0.77 0.00 0.00 66.41 67.43 3mle h THR 100 Cb 0.53 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 3mle h THR 100 CO -0.31 0.10 -0.05 1.56 0.37 0.00 0.00 175.52 177.19 3mle h GLN 101 N 0.37 -0.01 -0.91 6.66 4.20 -0.72 -0.67 115.11 124.02 3mle h GLN 101 Ca 0.10 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.83 3mle h GLN 101 Cb 0.01 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.74 3mle h GLN 101 CO -0.02 -0.01 0.60 0.00 -0.67 0.00 0.00 178.83 178.73 3mle h ARG 102 N -0.01 1.16 -0.19 1.46 2.47 -1.22 0.17 114.38 118.22 3mle h ARG 102 Ca 0.09 -0.07 -0.10 0.00 -1.26 0.00 0.00 59.98 58.64 3mle h ARG 102 Cb 0.15 -0.26 -0.00 0.00 -1.65 0.00 0.00 29.97 28.21 3mle h ARG 102 CO -0.20 0.77 -0.27 -0.07 0.56 0.00 0.00 179.97 180.76 3mle h LEU 103 N 1.19 0.56 -1.12 3.04 3.38 -0.53 -3.18 115.31 118.66 3mle h LEU 103 Ca 0.35 -0.52 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 3mle h LEU 103 Cb -0.08 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3mle h LEU 103 CO -0.09 0.97 -0.15 0.45 0.09 0.00 0.00 178.44 179.71 3mle h HIS 104 N 0.17 0.48 -0.93 1.13 3.86 -0.86 -2.08 115.15 116.93 3mle h HIS 104 Ca 0.02 -0.07 0.25 0.00 -1.16 0.00 0.00 60.37 59.41 3mle h HIS 104 Cb 0.84 -0.13 -0.14 0.00 1.06 0.00 0.00 27.41 29.05 3mle h HIS 104 CO 0.09 0.58 0.40 -0.91 0.86 0.00 0.00 177.93 178.95 3mle h ASN 105 N 0.41 0.30 0.47 2.45 2.35 -0.64 0.26 115.58 121.18 3mle h ASN 105 Ca 0.07 0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.97 3mle h ASN 105 Cb 0.51 0.17 -0.00 0.00 0.05 0.00 0.00 38.32 39.04 3mle h ASN 105 CO 0.03 -0.07 -0.15 -0.26 -1.65 0.00 0.00 177.43 175.33 3mle h PHE 106 N 0.34 0.00 0.00 1.19 0.04 -1.40 -2.43 116.94 114.68 3mle h PHE 106 Ca 0.61 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.38 3mle h PHE 106 Cb 1.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.39 3mle h PHE 106 CO -0.13 0.15 0.00 1.79 -0.60 0.00 0.00 178.31 179.52 3mle h THR 107 N 0.00 0.00 -0.44 -1.55 1.35 -0.53 -0.67 112.91 111.07 3mle h THR 107 Ca -0.00 -0.33 -0.06 0.00 -0.55 0.00 0.00 66.41 65.47 3mle h THR 107 Cb 0.43 1.22 -0.02 0.00 -1.73 0.00 0.00 68.15 68.05 3mle h THR 107 CO 0.02 0.00 0.03 0.11 -0.25 0.00 0.00 175.52 175.43 3mle h LYS 108 N 0.00 0.69 -0.00 4.72 1.57 -1.45 -1.19 116.57 120.90 3mle h LYS 108 Ca 0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3mle h LYS 108 Cb 0.37 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3mle h LYS 108 CO 0.00 0.68 -0.04 0.25 -0.57 0.00 0.00 179.45 179.78 3mle n THR 109 N -4.26 0.00 -5.25 -0.16 -2.24 -0.92 -4.86 114.28 96.59 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 0.26 1.02 -0.16 0.00 -2.10 0.00 0.00 70.33 69.35 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 -0.59 2.28 0.32 4.78 2.02 -0.30 -5.03 117.35 120.81 3mle s TYR 110 Ca 0.02 -0.49 0.02 0.00 -0.37 0.00 0.00 57.07 56.24 3mle s TYR 110 Cb 0.02 -1.47 0.57 0.00 -0.40 0.00 0.00 41.96 40.67 3mle s TYR 110 CO 0.04 -0.08 1.93 -0.44 -1.57 0.00 0.00 175.55 175.44 3mle h ASP 111 N 5.65 0.85 -3.35 2.29 3.32 -1.41 -3.36 116.42 120.42 3mle h ASP 111 Ca -0.40 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.39 3mle h ASP 111 Cb 1.14 -0.18 -0.33 0.00 0.22 0.00 0.00 39.33 40.17 3mle h ASP 111 CO 0.47 0.56 -0.62 -0.22 -1.72 0.00 0.00 179.24 177.71 3mle s LEU 112 N -9.91 0.54 -0.34 1.55 2.96 -0.67 -1.55 118.68 111.26 3mle s LEU 112 Ca -0.11 0.29 -0.06 0.00 -0.22 0.00 0.00 54.13 54.03 3mle s LEU 112 Cb 0.19 0.31 0.05 0.00 0.50 0.00 0.00 46.19 47.24 3mle s LEU 112 CO 0.79 -0.17 0.10 -0.69 -1.32 0.00 0.00 176.35 175.06 3mle s VAL 113 N 1.45 3.66 -0.19 1.68 1.01 0.14 -1.84 120.40 126.31 3mle s VAL 113 Ca -0.06 -1.24 -0.17 0.00 0.00 0.00 0.00 61.98 60.51 3mle s VAL 113 Cb -0.12 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 3mle s VAL 113 CO -0.06 -0.22 0.44 -0.63 0.00 0.00 0.00 175.10 174.64 3mle s ILE 114 N 1.37 5.18 -0.27 2.22 1.01 -0.50 -0.93 121.20 129.28 3mle s ILE 114 Ca -0.01 0.81 0.02 0.00 0.00 0.00 0.00 60.65 61.46 3mle s ILE 114 Cb -0.20 -3.77 0.06 0.00 0.01 0.00 0.00 42.46 38.56 3mle s ILE 114 CO 0.02 0.25 -0.09 -0.69 0.00 0.00 0.00 174.94 174.43 3mle s VAL 115 N 1.25 2.36 -0.09 2.92 1.01 0.89 -0.00 120.40 128.75 3mle s VAL 115 Ca 0.21 -1.56 -0.28 0.00 0.00 0.00 0.00 61.98 60.35 3mle s VAL 115 Cb -0.15 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 3mle s VAL 115 CO 0.09 -0.04 0.92 -0.70 0.00 0.00 0.00 175.10 175.37 3mle s GLU 116 N 1.14 4.43 0.00 2.72 2.12 0.67 -0.13 118.70 129.65 3mle s GLU 116 Ca -0.08 1.24 0.00 0.00 0.36 0.00 0.00 54.97 56.50 3mle s GLU 116 Cb -0.20 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.68 3mle s GLU 116 CO -0.04 -0.20 0.00 0.41 -0.54 0.00 0.00 175.26 174.89 3mle n GLY 117 N 3.13 -1.87 2.98 -1.50 0.00 -0.13 -4.19 105.19 103.61 3mle n GLY 117 Ca 0.06 -1.47 -0.22 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.24 1.01 0.00 4.61 0.00 -1.26 -4.93 121.76 117.95 3mle s ALA 118 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.67 3mle s ALA 118 Cb 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.65 3mle s ALA 118 CO 0.00 0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.26 3mle n GLY 119 N 3.78 2.83 0.00 0.00 0.00 -1.26 -4.82 105.19 105.72 3mle n GLY 119 Ca -0.23 -0.32 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 1.47 0.22 -0.02 0.00 -1.26 -3.91 105.19 101.69 3mle n GLY 120 Ca 0.00 -2.03 -0.12 0.00 0.00 0.00 0.00 46.02 43.87 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 0.75 -1.72 0.99 3.38 -1.88 -3.22 115.31 113.61 3mle h LEU 121 Ca 0.00 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3mle h LEU 121 Cb 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3mle h LEU 121 CO 0.00 1.18 0.00 0.00 0.09 0.00 0.00 178.44 179.71 3mle s VAL 123 N -1.48 3.22 0.14 0.00 1.01 -1.22 -4.79 120.40 117.28 3mle s VAL 123 Ca 0.34 0.52 -0.29 0.00 0.00 0.00 0.00 61.98 62.54 3mle s VAL 123 Cb 0.18 -3.33 -0.07 0.00 0.00 0.00 0.00 36.38 33.16 3mle s VAL 123 CO 0.25 -0.02 0.91 -2.16 0.00 0.00 0.00 175.10 174.08 3mle s PRO 124 N 3.26 4.69 -0.24 2.72 0.04 -1.26 -1.56 135.00 142.65 3mle s PRO 124 Ca 0.75 1.38 -0.08 0.00 0.04 0.00 0.00 61.00 63.09 3mle s PRO 124 Cb -0.38 -3.34 -0.12 0.00 0.04 0.00 0.00 34.50 30.70 3mle s PRO 124 CO 0.32 0.32 -0.28 -0.89 0.04 0.00 0.00 177.00 176.51 3mle n ILE 125 N 2.39 1.34 -4.42 0.56 5.41 0.43 -2.21 119.36 122.87 3mle n ILE 125 Ca -0.00 -0.39 -0.21 0.00 1.00 0.00 0.00 62.75 63.15 3mle n ILE 125 Cb 0.49 -1.68 -0.10 0.00 -0.71 0.00 0.00 39.64 37.64 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 -2.45 0.77 0.37 1.39 -4.23 -0.56 -3.68 115.64 107.26 3mle s THR 126 Ca -0.33 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.35 3mle s THR 126 Cb 0.12 -2.61 0.37 0.00 1.34 0.00 0.00 72.50 71.72 3mle s THR 126 CO 0.46 0.00 1.72 -0.07 -0.54 0.00 0.00 174.62 176.19 3mle h LEU 127 N 2.12 0.49 0.00 4.79 3.38 -1.96 -2.62 115.31 121.50 3mle h LEU 127 Ca -0.38 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3mle h LEU 127 Cb 1.25 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3mle h LEU 127 CO 0.62 0.01 -1.04 -0.62 0.09 0.00 0.00 178.44 177.49 3mle n GLU 128 N -4.78 1.10 -4.07 1.13 -0.58 -1.26 -5.02 120.64 107.16 3mle n GLU 128 Ca 0.29 -0.04 -0.14 0.00 -0.42 0.00 0.00 57.16 56.85 3mle n GLU 128 Cb 0.95 -1.34 -0.13 0.00 -0.57 0.00 0.00 31.44 30.35 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 -2.77 0.38 0.52 3.49 2.02 -0.99 -5.09 118.70 116.25 3mle s GLU 129 Ca 0.04 -0.37 0.00 0.00 0.02 0.00 0.00 54.97 54.67 3mle s GLU 129 Cb 0.13 -0.26 0.00 0.00 0.10 0.00 0.00 34.13 34.10 3mle s GLU 129 CO 0.72 0.06 0.04 0.27 0.02 0.00 0.00 175.26 176.37 3mle n ASN 130 N 2.41 3.36 -0.28 -0.19 0.23 -1.26 -0.42 115.26 119.10 3mle n ASN 130 Ca -0.17 -3.21 0.00 0.00 -0.53 0.00 0.00 54.58 50.67 3mle n ASN 130 Cb 0.57 0.32 0.20 0.00 -2.08 0.00 0.00 39.78 38.79 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 1.10 -0.27 -3.83 2.86 -1.13 -1.29 114.93 112.37 3mle h MET 131 Ca -0.42 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.14 3mle h MET 131 Cb 1.29 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.69 3mle h MET 131 CO 0.69 0.73 0.13 1.25 1.06 0.00 0.00 176.91 180.77 3mle h LEU 132 N 1.14 0.35 -0.53 1.22 5.85 -1.39 -0.75 115.31 121.21 3mle h LEU 132 Ca 0.32 -0.13 0.10 0.00 0.84 0.00 0.00 57.88 59.01 3mle h LEU 132 Cb -0.09 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 40.77 3mle h LEU 132 CO -0.08 0.39 0.05 0.44 -0.34 0.00 0.00 178.44 178.90 3mle h ASP 133 N 0.30 -0.11 -0.04 1.25 3.32 -1.65 -0.82 116.42 118.68 3mle h ASP 133 Ca 0.09 0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.26 3mle h ASP 133 Cb 0.13 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 3mle h ASP 133 CO -0.01 -0.03 -0.02 0.15 -1.72 0.00 0.00 179.24 177.61 3mle h PHE 134 N 0.18 -0.04 -0.60 4.55 3.57 -0.98 -0.02 116.94 123.60 3mle h PHE 134 Ca 0.27 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.81 3mle h PHE 134 Cb 0.40 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 3mle h PHE 134 CO -0.28 -0.03 0.39 0.00 -2.23 0.00 0.00 178.31 176.16 3mle h ALA 135 N 1.02 1.70 -0.22 2.41 0.00 -0.44 -1.17 119.26 122.56 3mle h ALA 135 Ca 0.02 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3mle h ALA 135 Cb 0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3mle h ALA 135 CO -0.05 0.23 -0.32 -0.07 0.00 0.00 0.00 179.25 179.04 3mle h LEU 136 N 0.68 0.66 -1.15 0.00 3.38 -0.66 -2.67 115.31 115.55 3mle h LEU 136 Ca 0.24 -0.52 0.03 0.00 0.09 0.00 0.00 57.88 57.73 3mle h LEU 136 Cb 0.11 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 3mle h LEU 136 CO -0.07 1.05 0.58 0.50 0.09 0.00 0.00 178.44 180.59 3mle h LYS 137 N 0.29 1.07 0.00 1.13 3.64 -0.27 -0.47 116.57 121.96 3mle h LYS 137 Ca 0.02 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3mle h LYS 137 Cb 0.90 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3mle h LYS 137 CO 0.07 0.71 0.00 1.28 -2.27 0.00 0.00 179.45 179.24 3mle n LEU 138 N -4.44 0.00 -2.62 5.20 4.77 -0.51 -4.87 117.00 114.52 3mle n LEU 138 Ca 0.12 0.47 -0.13 0.00 -0.03 0.00 0.00 56.01 56.44 3mle n LEU 138 Cb 0.11 -0.47 -0.00 0.00 -2.33 0.00 0.00 43.42 40.72 3mle n LEU 138 CO 0.35 -0.25 -0.12 0.29 -1.33 0.00 0.00 177.39 176.32 3mle n LYS 139 N -1.47 -2.55 -2.27 3.23 4.01 -0.18 -4.93 118.16 114.00 3mle n LYS 139 Ca 0.04 0.53 -0.27 0.00 -0.51 0.00 0.00 58.31 58.10 3mle n LYS 139 Cb 0.15 -5.15 0.04 0.00 -0.51 0.00 0.00 35.03 29.56 3mle n LYS 139 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3mle s ALA 140 N -2.63 3.20 0.32 7.82 0.00 -1.02 -4.98 121.76 124.47 3mle s ALA 140 Ca 0.08 -0.63 -0.13 0.00 0.00 0.00 0.00 51.96 51.27 3mle s ALA 140 Cb -0.04 -2.70 -0.08 0.00 0.00 0.00 0.00 23.12 20.30 3mle s ALA 140 CO 0.10 -0.91 0.71 0.15 0.00 0.00 0.00 175.76 175.81 3mle s LYS 141 N -5.09 3.94 -0.18 0.00 1.02 -0.67 -4.71 119.74 114.05 3mle s LYS 141 Ca 0.55 0.58 -0.03 0.00 0.02 0.00 0.00 55.97 57.09 3mle s LYS 141 Cb -0.11 -2.46 -0.01 0.00 -0.52 0.00 0.00 37.83 34.73 3mle s LYS 141 CO 0.47 0.15 -0.07 1.41 -0.92 0.00 0.00 175.35 176.39 3mle s MET 142 N -3.09 3.45 -0.27 1.68 -2.45 -0.20 0.66 119.30 119.07 3mle s MET 142 Ca 0.53 -0.62 -0.01 0.00 -1.25 0.00 0.00 55.69 54.34 3mle s MET 142 Cb -0.10 -2.88 0.04 0.00 1.25 0.00 0.00 34.83 33.14 3mle s MET 142 CO 0.20 0.02 -0.05 -1.17 1.05 0.00 0.00 175.02 175.07 3mle s LEU 143 N 0.90 3.48 -0.36 4.11 2.96 0.81 -1.06 118.68 129.52 3mle s LEU 143 Ca -0.01 -1.12 -0.13 0.00 -0.22 0.00 0.00 54.13 52.65 3mle s LEU 143 Cb -0.15 -1.66 0.00 0.00 0.50 0.00 0.00 46.19 44.89 3mle s LEU 143 CO 0.01 -0.19 0.24 -0.22 -1.32 0.00 0.00 176.35 174.87 3mle s LEU 144 N 1.25 4.67 0.04 -0.68 0.20 -0.23 -1.23 118.68 122.71 3mle s LEU 144 Ca -0.04 -0.65 -0.24 0.00 0.69 0.00 0.00 54.13 53.90 3mle s LEU 144 Cb -0.18 -2.11 -0.06 0.00 -0.43 0.00 0.00 46.19 43.41 3mle s LEU 144 CO -0.04 -0.31 0.71 -0.63 -0.29 0.00 0.00 176.35 175.79 3mle s ILE 145 N 1.68 4.75 0.11 6.68 -1.09 0.12 -1.15 121.20 132.30 3mle s ILE 145 Ca 0.05 1.51 0.08 0.00 -2.23 0.00 0.00 60.65 60.06 3mle s ILE 145 Cb -0.18 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 36.60 3mle s ILE 145 CO 0.09 0.40 -0.12 -0.55 -1.23 0.00 0.00 174.94 173.53 3mle s SER 146 N -0.22 4.27 0.96 3.58 0.15 0.41 -0.61 113.70 122.25 3mle s SER 146 Ca 0.36 -0.44 -0.12 0.00 0.70 0.00 0.00 55.95 56.45 3mle s SER 146 Cb -0.20 -0.76 0.17 0.00 -1.71 0.00 0.00 66.02 63.51 3mle s SER 146 CO 0.21 0.17 1.10 -1.38 1.20 0.00 0.00 173.24 174.54 3mle s HIS 147 N -1.22 2.19 -0.21 3.44 -3.43 -1.26 -0.48 115.29 114.33 3mle s HIS 147 Ca 0.21 1.05 0.15 0.00 -0.80 0.00 0.00 55.06 55.67 3mle s HIS 147 Cb -0.11 -3.24 0.53 0.00 -1.43 0.00 0.00 32.58 28.33 3mle s HIS 147 CO 0.13 -2.72 1.44 -0.40 -2.00 0.00 0.00 174.74 171.19 3mle n ASP 148 N -4.07 3.64 -4.97 7.38 5.75 -1.25 -4.62 116.55 118.40 3mle n ASP 148 Ca 0.06 -3.17 -0.18 0.00 -0.01 0.00 0.00 54.79 51.49 3mle n ASP 148 Cb 0.57 -0.57 -0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 -2.03 5.56 -0.09 -1.12 0.01 -1.26 -4.77 114.94 111.24 3mle s ASN 149 Ca 0.43 -0.46 -0.39 0.00 -0.71 0.00 0.00 52.86 51.73 3mle s ASN 149 Cb 0.36 -0.73 -0.17 0.00 0.41 0.00 0.00 41.25 41.11 3mle s ASN 149 CO 0.07 -0.67 1.48 -0.11 -1.51 0.00 0.00 177.10 176.36 3mle n LEU 150 N -1.74 1.73 0.00 0.60 7.94 -1.26 -1.31 117.00 122.97 3mle n LEU 150 Ca 0.06 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.07 3mle n LEU 150 Cb 0.59 -1.13 0.00 0.00 0.53 0.00 0.00 43.42 43.42 3mle n LEU 150 CO 0.40 -0.89 0.00 0.61 -1.11 0.00 0.00 177.39 176.40 3mle n GLY 151 N 3.13 0.58 0.21 -3.96 0.00 -1.26 -4.99 105.19 98.90 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 0.22 0.41 0.99 8.10 -1.51 -2.78 115.31 120.75 3mle h LEU 152 Ca 0.00 -0.08 -0.02 0.00 0.11 0.00 0.00 57.88 57.89 3mle h LEU 152 Cb 0.00 -0.06 -0.00 0.00 -0.44 0.00 0.00 40.66 40.16 3mle h LEU 152 CO 0.00 0.55 -0.23 0.40 -4.11 0.00 0.00 178.44 175.05 3mle h ILE 153 N 0.19 0.53 -0.42 0.15 2.04 -1.94 0.31 117.51 118.37 3mle h ILE 153 Ca 0.02 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.96 3mle h ILE 153 Cb 0.69 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 3mle h ILE 153 CO 0.05 0.00 0.03 -1.13 0.00 0.00 0.00 178.15 177.10 3mle h ASN 154 N -0.60 -0.12 -0.33 1.72 -1.24 -1.97 -0.70 115.58 112.34 3mle h ASN 154 Ca -0.05 0.09 -0.03 0.00 0.71 0.00 0.00 56.30 57.02 3mle h ASN 154 Cb 0.48 0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.67 3mle h ASN 154 CO 0.07 -0.02 0.09 0.44 -1.29 0.00 0.00 177.43 176.72 3mle h ASP 155 N 0.14 0.49 -0.04 1.15 3.32 -1.20 -0.38 116.42 119.90 3mle h ASP 155 Ca 0.21 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 57.05 3mle h ASP 155 Cb 0.29 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3mle h ASP 155 CO -0.32 0.58 0.00 0.00 -1.72 0.00 0.00 179.24 177.78 3mle h LEU 157 N 0.02 0.93 -0.45 0.00 3.38 -0.95 0.29 115.31 118.53 3mle h LEU 157 Ca 0.02 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.75 3mle h LEU 157 Cb 0.02 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 3mle h LEU 157 CO -0.03 1.04 0.18 -0.07 0.09 0.00 0.00 178.44 179.65 3mle h LEU 158 N 0.84 0.21 -0.55 1.67 3.38 -0.99 0.98 115.31 120.85 3mle h LEU 158 Ca 0.14 0.05 -0.14 0.00 0.09 0.00 0.00 57.88 58.01 3mle h LEU 158 Cb 0.64 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3mle h LEU 158 CO 0.04 0.15 -0.32 0.78 0.09 0.00 0.00 178.44 179.19 3mle h ASN 159 N 0.36 0.86 -0.54 -0.43 2.35 -0.96 -2.40 115.58 114.82 3mle h ASN 159 Ca 0.21 -0.36 0.05 0.00 -0.55 0.00 0.00 56.30 55.65 3mle h ASN 159 Cb 0.18 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.27 3mle h ASN 159 CO -0.20 1.10 0.28 -0.78 -1.65 0.00 0.00 177.43 176.19 3mle h ASP 160 N 0.69 0.41 -0.51 5.81 3.58 0.08 0.38 116.42 126.87 3mle h ASP 160 Ca 0.07 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.56 3mle h ASP 160 Cb 0.87 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.84 3mle h ASP 160 CO 0.08 0.28 0.34 0.15 -2.88 0.00 0.00 179.24 177.20 3mle h PHE 161 N 0.54 0.64 -0.11 0.28 3.57 -0.60 -0.61 116.94 120.66 3mle h PHE 161 Ca 0.24 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 3mle h PHE 161 Cb 0.14 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.66 3mle h PHE 161 CO -0.10 0.41 -0.01 1.25 -2.23 0.00 0.00 178.31 177.64 3mle h LEU 162 N 0.69 0.20 0.02 0.59 5.85 -1.12 -2.99 115.31 118.55 3mle h LEU 162 Ca 0.19 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 3mle h LEU 162 Cb -0.08 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.90 3mle h LEU 162 CO -0.04 0.48 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.46 3mle h LEU 163 N -0.08 -0.02 -2.78 2.25 3.38 -0.70 -2.64 115.31 114.72 3mle h LEU 163 Ca 0.03 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3mle h LEU 163 Cb 0.38 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3mle h LEU 163 CO 0.01 0.16 0.01 0.07 0.09 0.00 0.00 178.44 178.78 3mle h LYS 164 N -0.21 0.00 0.00 1.13 2.10 -1.20 0.15 116.57 118.53 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 0.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 3mle h LYS 164 CO 0.00 0.00 0.00 0.43 -2.00 0.00 0.00 179.45 177.88 3mle n SER 165 N -3.37 0.00 -4.24 7.07 7.64 -1.00 -4.87 113.62 114.86 3mle n SER 165 Ca -0.03 -0.73 -0.18 0.00 1.01 0.00 0.00 58.87 58.94 3mle n SER 165 Cb 0.08 -0.04 -0.11 0.00 -1.01 0.00 0.00 64.21 63.13 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 -2.09 1.40 -1.31 1.43 3.76 0.51 -5.07 115.29 113.93 3mle s HIS 166 Ca 0.38 -0.55 -0.17 0.00 -0.15 0.00 0.00 55.06 54.57 3mle s HIS 166 Cb 0.18 -0.73 0.08 0.00 1.11 0.00 0.00 32.58 33.22 3mle s HIS 166 CO 0.33 0.14 1.77 1.04 -0.85 0.00 0.00 174.74 177.17 3mle n GLN 167 N 0.56 3.18 -3.63 1.40 6.02 -1.26 -4.86 117.38 118.79 3mle n GLN 167 Ca -0.16 -3.26 -0.14 0.00 -0.01 0.00 0.00 57.00 53.44 3mle n GLN 167 Cb 0.57 -3.41 -0.06 0.00 1.02 0.00 0.00 30.24 28.35 3mle n GLN 167 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 3mle s LEU 168 N 3.61 0.20 0.02 1.08 2.34 -1.26 -5.06 118.68 119.61 3mle s LEU 168 Ca 0.52 0.12 -0.27 0.00 0.06 0.00 0.00 54.13 54.55 3mle s LEU 168 Cb 0.05 1.89 -0.04 0.00 -0.56 0.00 0.00 46.19 47.53 3mle s LEU 168 CO 0.05 -0.66 0.86 -1.81 -1.06 0.00 0.00 176.35 173.73 3mle s ASP 169 N -1.88 7.27 0.04 1.48 1.11 -1.26 -4.96 116.67 118.47 3mle s ASP 169 Ca -0.06 1.53 -0.07 0.00 0.18 0.00 0.00 52.55 54.13 3mle s ASP 169 Cb -0.01 -2.51 -0.01 0.00 1.07 0.00 0.00 42.92 41.46 3mle s ASP 169 CO -0.01 -0.12 0.13 -0.72 1.18 0.00 0.00 175.17 175.63 3mle s TYR 170 N 0.51 0.15 0.04 4.23 -0.85 -1.26 -1.03 117.35 119.14 3mle s TYR 170 Ca 0.44 -0.44 0.04 0.00 -0.52 0.00 0.00 57.07 56.60 3mle s TYR 170 Cb -0.21 -0.10 -0.02 0.00 0.38 0.00 0.00 41.96 42.01 3mle s TYR 170 CO 0.25 -0.39 -0.13 0.15 -1.52 0.00 0.00 175.55 173.90 3mle s LYS 171 N -2.66 0.87 -0.23 -3.49 3.01 -0.22 -4.97 119.74 112.03 3mle s LYS 171 Ca -0.04 -0.74 -0.06 0.00 -1.01 0.00 0.00 55.97 54.11 3mle s LYS 171 Cb -0.01 -0.85 -0.02 0.00 -1.01 0.00 0.00 37.83 35.94 3mle s LYS 171 CO -0.05 0.21 0.04 0.42 0.51 0.00 0.00 175.35 176.48 3mle s ILE 172 N -0.88 4.10 -0.06 2.17 1.01 -1.26 -1.07 121.20 125.21 3mle s ILE 172 Ca 0.00 -0.25 0.05 0.00 0.00 0.00 0.00 60.65 60.46 3mle s ILE 172 Cb -0.08 -2.90 -0.01 0.00 0.01 0.00 0.00 42.46 39.49 3mle s ILE 172 CO 0.01 0.37 -0.24 0.00 0.00 0.00 0.00 174.94 175.09 3mle s ALA 173 N 1.46 2.06 -0.12 9.38 0.00 -0.30 -2.05 121.76 132.19 3mle s ALA 173 Ca 0.05 -0.97 -0.25 0.00 0.00 0.00 0.00 51.96 50.80 3mle s ALA 173 Cb -0.15 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 3mle s ALA 173 CO 0.02 0.37 0.78 0.42 0.00 0.00 0.00 175.76 177.35 3mle s ILE 174 N -0.02 4.95 -0.97 0.00 1.01 -0.48 -0.44 121.20 125.25 3mle s ILE 174 Ca -0.07 1.56 -0.22 0.00 0.00 0.00 0.00 60.65 61.93 3mle s ILE 174 Cb -0.14 -4.10 0.08 0.00 0.01 0.00 0.00 42.46 38.30 3mle s ILE 174 CO 0.05 0.12 1.32 0.21 0.00 0.00 0.00 174.94 176.63 3mle s ASN 175 N 1.03 6.53 -0.32 3.58 2.47 0.37 -0.41 114.94 128.20 3mle s ASN 175 Ca 0.38 -1.63 -0.18 0.00 0.42 0.00 0.00 52.86 51.85 3mle s ASN 175 Cb -0.17 -2.50 -0.01 0.00 -1.45 0.00 0.00 41.25 37.11 3mle s ASN 175 CO 0.15 -1.35 0.49 -0.22 -3.72 0.00 0.00 177.10 172.45 3mle s LEU 176 N 4.13 4.24 0.38 3.21 2.96 -1.26 -3.90 118.68 128.44 3mle s LEU 176 Ca 0.40 0.13 -0.27 0.00 -0.22 0.00 0.00 54.13 54.17 3mle s LEU 176 Cb -0.02 -2.57 -0.10 0.00 0.50 0.00 0.00 46.19 44.00 3mle s LEU 176 CO -0.09 -0.39 1.33 -0.54 -1.32 0.00 0.00 176.35 175.33 3mle s LYS 177 N 2.32 4.12 0.25 1.98 -0.14 -1.26 -4.89 119.74 122.11 3mle s LYS 177 Ca 0.19 2.23 -0.05 0.00 -1.36 0.00 0.00 55.97 56.97 3mle s LYS 177 Cb -0.16 -2.89 0.26 0.00 -1.68 0.00 0.00 37.83 33.37 3mle s LYS 177 CO 0.12 -0.39 1.85 0.78 -0.76 0.00 0.00 175.35 176.95 3mle h GLY 178 N 2.96 1.24 0.16 -3.33 0.00 -2.05 -2.51 103.07 99.54 3mle h GLY 178 Ca -0.49 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.24 3mle h GLY 178 CO 0.64 0.57 0.00 1.16 0.00 0.00 0.00 176.54 178.91 3mle n ASN 179 N -4.32 0.09 -4.48 0.19 0.23 -1.26 -4.67 115.26 101.04 3mle n ASN 179 Ca 0.08 -1.78 -0.44 0.00 -0.53 0.00 0.00 54.58 51.91 3mle n ASN 179 Cb 0.13 -0.01 -0.01 0.00 -2.08 0.00 0.00 39.78 37.81 3mle n ASN 179 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3mle s ASN 180 N -1.22 6.90 0.23 0.53 3.84 -0.95 -4.82 114.94 119.45 3mle s ASN 180 Ca 0.12 -2.60 0.00 0.00 0.21 0.00 0.00 52.86 50.59 3mle s ASN 180 Cb 0.05 -2.43 0.24 0.00 -0.55 0.00 0.00 41.25 38.56 3mle s ASN 180 CO 0.09 -0.92 1.59 0.71 -2.79 0.00 0.00 177.10 175.78 3mle h THR 181 N 5.19 1.31 -0.88 -5.21 1.35 -1.88 -3.30 112.91 109.50 3mle h THR 181 Ca 0.29 -1.64 -0.00 0.00 -0.55 0.00 0.00 66.41 64.50 3mle h THR 181 Cb 0.92 1.66 -0.04 0.00 -1.73 0.00 0.00 68.15 68.96 3mle h THR 181 CO 1.25 0.51 0.53 0.00 -0.25 0.00 0.00 175.52 177.56 3mle h ALA 182 N 1.13 1.29 -0.90 6.62 0.00 -1.99 -3.23 119.26 122.18 3mle h ALA 182 Ca 0.03 -0.09 0.23 0.00 0.00 0.00 0.00 54.91 55.07 3mle h ALA 182 Cb 0.94 -0.35 -0.13 0.00 0.00 0.00 0.00 17.79 18.25 3mle h ALA 182 CO 0.08 0.61 0.37 0.35 0.00 0.00 0.00 179.25 180.67 3mle h PHE 183 N 1.21 0.60 0.00 0.00 3.57 -1.86 -0.71 116.94 119.75 3mle h PHE 183 Ca 0.32 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.78 3mle h PHE 183 Cb -0.06 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 3mle h PHE 183 CO 0.00 -0.09 -0.36 1.12 -2.23 0.00 0.00 178.31 176.75 3mle h HIS 184 N 0.35 0.00 0.04 0.41 2.07 -1.79 -1.28 115.15 114.96 3mle h HIS 184 Ca 0.57 0.00 -0.33 0.00 -2.85 0.00 0.00 60.37 57.76 3mle h HIS 184 Cb 1.12 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.06 3mle h HIS 184 CO -0.16 0.36 -1.92 0.45 -3.07 0.00 0.00 177.93 173.59 3mle n SER 185 N -3.54 1.26 0.00 3.10 2.88 -0.75 -4.20 113.62 112.38 3mle n SER 185 Ca -0.00 0.27 -0.21 0.00 -1.33 0.00 0.00 58.87 57.60 3mle n SER 185 Cb 0.49 -0.24 -0.14 0.00 -0.75 0.00 0.00 64.21 63.58 3mle n SER 185 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3mle h ILE 186 N 0.02 1.02 0.00 2.46 1.08 -1.06 -3.43 117.51 117.60 3mle h ILE 186 Ca -0.38 -2.39 -0.16 0.00 -0.39 0.00 0.00 64.86 61.54 3mle h ILE 186 Cb 2.04 2.70 -0.02 0.00 -3.07 0.00 0.00 36.82 38.46 3mle h ILE 186 CO 0.07 0.70 -1.53 -1.20 -0.69 0.00 0.00 178.15 175.50 3mle n SER 187 N -3.92 0.80 -0.33 1.72 7.64 -0.77 -4.79 113.62 113.97 3mle n SER 187 Ca -0.25 0.11 0.26 0.00 1.01 0.00 0.00 58.87 59.99 3mle n SER 187 Cb 0.90 -0.27 0.49 0.00 -1.01 0.00 0.00 64.21 64.32 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 -0.32 0.22 -0.92 -3.43 5.85 -1.44 -0.43 115.31 114.83 3mle h LEU 188 Ca -0.24 0.24 0.10 0.00 0.84 0.00 0.00 57.88 58.82 3mle h LEU 188 Cb 1.22 0.27 -0.08 0.00 0.37 0.00 0.00 40.66 42.44 3mle h LEU 188 CO -0.14 -0.33 0.56 -0.65 -0.34 0.00 0.00 178.44 177.54 3mle h PRO 189 N 0.10 0.91 -0.14 5.25 0.11 -1.83 0.21 132.00 136.60 3mle h PRO 189 Ca 0.76 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 66.65 3mle h PRO 189 Cb 1.86 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.76 3mle h PRO 189 CO -0.74 0.60 -0.60 -0.92 -0.21 0.00 0.00 178.00 176.13 3mle h TYR 190 N 0.94 0.61 -0.35 0.65 3.20 -1.41 -2.10 116.97 118.50 3mle h TYR 190 Ca 0.44 -0.23 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 3mle h TYR 190 Cb 0.37 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 3mle h TYR 190 CO -0.03 0.95 0.20 0.82 -1.64 0.00 0.00 178.16 178.47 3mle h ILE 191 N 0.36 1.13 -0.20 1.81 1.08 -1.19 0.34 117.51 120.84 3mle h ILE 191 Ca -0.00 -0.32 0.05 0.00 -0.39 0.00 0.00 64.86 64.20 3mle h ILE 191 Cb 1.14 0.70 -0.05 0.00 -3.07 0.00 0.00 36.82 35.54 3mle h ILE 191 CO 0.11 0.13 -0.10 -0.33 -0.69 0.00 0.00 178.15 177.26 3mle h GLU 192 N 0.45 -0.08 -0.28 2.37 4.39 -0.91 0.10 114.58 120.62 3mle h GLU 192 Ca 0.13 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.83 3mle h GLU 192 Cb 0.03 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3mle h GLU 192 CO -0.02 -0.05 0.18 -0.07 -1.16 0.00 0.00 179.01 177.89 3mle h LEU 193 N -0.08 0.32 -1.22 1.33 3.38 -1.02 -1.88 115.31 116.13 3mle h LEU 193 Ca 0.11 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.14 3mle h LEU 193 Cb 0.25 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 3mle h LEU 193 CO -0.25 0.23 0.56 0.15 0.09 0.00 0.00 178.44 179.22 3mle h PHE 194 N 0.38 0.96 -0.19 1.13 3.57 0.01 -2.85 116.94 119.93 3mle h PHE 194 Ca 0.10 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.50 3mle h PHE 194 Cb -0.04 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.37 3mle h PHE 194 CO -0.06 0.50 -0.40 -0.91 -2.23 0.00 0.00 178.31 175.21 3mle h ASN 195 N 0.94 0.47 0.16 0.41 2.35 -0.23 -2.09 115.58 117.59 3mle h ASN 195 Ca 0.37 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 3mle h ASN 195 Cb 0.23 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 3mle h ASN 195 CO -0.13 0.82 -0.06 0.71 -1.65 0.00 0.00 177.43 177.12 3mle h THR 196 N 0.37 0.60 -0.06 2.81 1.35 -1.11 -2.94 112.91 113.93 3mle h THR 196 Ca 0.03 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 3mle h THR 196 Cb 0.87 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3mle h THR 196 CO 0.07 0.06 0.00 0.54 -0.25 0.00 0.00 175.52 175.94 3mle n ARG 197 N -3.82 0.91 -5.19 4.72 3.00 -1.12 -4.99 116.66 110.18 3mle n ARG 197 Ca -0.02 -1.31 -0.32 0.00 -0.01 0.00 0.00 57.85 56.19 3mle n ARG 197 Cb 0.15 -1.23 -0.15 0.00 0.00 0.00 0.00 32.46 31.23 3mle n ARG 197 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3mle s SER 198 N -0.98 3.30 0.00 0.55 0.15 -0.80 -5.00 113.70 110.92 3mle s SER 198 Ca 0.15 -0.42 0.31 0.00 0.70 0.00 0.00 55.95 56.69 3mle s SER 198 Cb 0.10 -0.66 1.78 0.00 -1.71 0.00 0.00 66.02 65.53 3mle s SER 198 CO 0.15 0.30 2.17 -0.46 1.20 0.00 0.00 173.24 176.59 3mle n ASN 199 N 2.62 0.01 -3.42 5.45 0.23 -1.26 -4.18 115.26 114.71 3mle n ASN 199 Ca -0.17 -0.73 -0.26 0.00 -0.53 0.00 0.00 54.58 52.89 3mle n ASN 199 Cb 0.52 -0.09 -0.08 0.00 -2.08 0.00 0.00 39.78 38.04 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 -1.08 2.51 -4.75 0.53 2.85 -1.26 -5.11 115.26 108.94 3mle n ASN 200 Ca 0.21 -3.16 -0.39 0.00 -0.11 0.00 0.00 54.58 51.13 3mle n ASN 200 Cb 0.15 -0.67 0.04 0.00 1.24 0.00 0.00 39.78 40.54 3mle n ASN 200 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 3mle s PRO 201 N -1.88 3.25 -0.09 1.20 0.04 -1.26 -4.86 135.00 131.39 3mle s PRO 201 Ca 0.36 2.27 -0.25 0.00 0.04 0.00 0.00 61.00 63.43 3mle s PRO 201 Cb 0.13 -2.34 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 3mle s PRO 201 CO -0.07 -1.12 0.80 0.42 0.04 0.00 0.00 177.00 177.08 3mle s ILE 202 N -1.28 4.95 0.45 0.56 1.01 -1.26 -4.58 121.20 121.05 3mle s ILE 202 Ca 0.69 1.62 0.07 0.00 0.00 0.00 0.00 60.65 63.03 3mle s ILE 202 Cb -0.41 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 37.92 3mle s ILE 202 CO 0.50 0.15 0.33 0.68 0.00 0.00 0.00 174.94 176.60 3mle s VAL 203 N 1.36 2.31 -0.33 2.92 -7.23 -0.87 -4.97 120.40 113.58 3mle s VAL 203 Ca 0.40 -1.48 -0.12 0.00 -1.81 0.00 0.00 61.98 58.98 3mle s VAL 203 Cb -0.18 -2.78 -0.01 0.00 0.56 0.00 0.00 36.38 33.96 3mle s VAL 203 CO 0.18 0.00 0.21 -0.63 -0.31 0.00 0.00 175.10 174.55 3mle s ILE 204 N -2.58 5.07 0.17 -0.62 1.09 -1.26 -1.38 121.20 121.69 3mle s ILE 204 Ca 0.43 -0.28 -0.24 0.00 -1.10 0.00 0.00 60.65 59.46 3mle s ILE 204 Cb -0.01 -3.60 0.07 0.00 -1.06 0.00 0.00 42.46 37.86 3mle s ILE 204 CO 0.25 0.02 1.57 0.15 -0.10 0.00 0.00 174.94 176.83 3mle h PHE 205 N 8.44 -1.14 -0.00 3.97 3.57 -1.02 -0.38 116.94 130.38 3mle h PHE 205 Ca -0.32 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.26 3mle h PHE 205 Cb 1.15 0.58 -0.00 0.00 2.79 0.00 0.00 35.95 40.48 3mle h PHE 205 CO 0.66 -0.41 0.07 1.96 -2.23 0.00 0.00 178.31 178.36 3mle h GLN 206 N -0.21 0.00 -0.48 1.11 7.50 -1.91 0.88 115.11 122.00 3mle h GLN 206 Ca 0.20 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.35 3mle h GLN 206 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.09 3mle h GLN 206 CO -0.68 0.00 0.00 1.04 -1.50 0.00 0.00 178.83 177.69 3mle n GLN 207 N -3.05 3.26 -0.63 1.46 6.02 -0.17 -4.56 117.38 119.71 3mle n GLN 207 Ca -0.03 -2.62 0.03 0.00 -0.01 0.00 0.00 57.00 54.37 3mle n GLN 207 Cb 0.14 -1.68 0.05 0.00 1.02 0.00 0.00 30.24 29.77 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 0.61 0.82 0.03 1.08 7.64 0.30 -4.86 113.62 119.25 3mle n SER 208 Ca 0.21 -2.38 -0.11 0.00 1.01 0.00 0.00 58.87 57.60 3mle n SER 208 Cb 0.74 -0.29 -0.05 0.00 -1.01 0.00 0.00 64.21 63.59 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 0.29 -0.16 -0.17 -3.43 3.38 -1.80 0.13 115.31 113.55 3mle h LEU 209 Ca -0.05 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3mle h LEU 209 Cb 1.39 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 3mle h LEU 209 CO 0.02 -0.08 0.10 0.11 0.09 0.00 0.00 178.44 178.68 3mle h LYS 210 N -0.08 0.23 -0.99 1.13 1.57 -1.94 0.58 116.57 117.07 3mle h LYS 210 Ca 0.03 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 3mle h LYS 210 Cb 0.12 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.32 3mle h LYS 210 CO -0.08 0.21 0.65 0.28 -0.57 0.00 0.00 179.45 179.94 3mle h VAL 211 N 0.19 1.13 0.05 0.50 2.07 -1.88 -2.18 116.25 116.13 3mle h VAL 211 Ca 0.06 -0.42 -0.23 0.00 0.82 0.00 0.00 66.70 66.93 3mle h VAL 211 Cb 0.04 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.61 3mle h VAL 211 CO -0.01 0.22 -1.06 -0.07 0.02 0.00 0.00 177.57 176.67 3mle h LEU 212 N 1.21 0.25 0.06 2.57 3.38 -0.26 -1.91 115.31 120.61 3mle h LEU 212 Ca 0.41 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3mle h LEU 212 Cb 0.09 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3mle h LEU 212 CO -0.15 1.15 -0.06 -0.03 0.09 0.00 0.00 178.44 179.44 3mle h MET 213 N 0.06 -0.14 -0.26 1.13 4.05 -0.73 -0.76 114.93 118.28 3mle h MET 213 Ca -0.07 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.42 3mle h MET 213 Cb 1.78 0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 32.54 3mle h MET 213 CO 0.16 -0.09 -0.21 0.77 0.23 0.00 0.00 176.91 177.77 3mle h SER 214 N -0.14 -0.69 -0.55 1.39 0.02 -1.35 -1.07 113.55 111.16 3mle h SER 214 Ca 0.00 0.13 0.09 0.00 -0.84 0.00 0.00 61.79 61.18 3mle h SER 214 Cb 0.14 0.34 -0.07 0.00 0.14 0.00 0.00 62.40 62.94 3mle h SER 214 CO -0.02 -0.25 0.15 0.15 -1.14 0.00 0.00 176.83 175.73 3mle h PHE 215 N -0.21 0.26 -0.65 3.45 3.57 -1.21 0.16 116.94 122.31 3mle h PHE 215 Ca 0.14 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 3mle h PHE 215 Cb 0.43 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 3mle h PHE 215 CO -0.38 0.03 0.27 0.00 -2.23 0.00 0.00 178.31 176.01 3mle h ALA 216 N 1.41 1.25 -0.00 2.41 0.00 -0.30 -3.11 119.26 120.92 3mle h ALA 216 Ca 0.28 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3mle h ALA 216 Cb 0.37 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3mle h ALA 216 CO -0.33 0.55 -0.69 1.28 0.00 0.00 0.00 179.25 180.07 3mle n LEU 217 N -4.32 0.73 -4.62 0.00 4.77 -0.49 -4.68 117.00 108.40 3mle n LEU 217 Ca 0.06 -0.21 -0.35 0.00 -0.03 0.00 0.00 56.01 55.47 3mle n LEU 217 Cb 0.16 -0.15 0.09 0.00 -2.33 0.00 0.00 43.42 41.20 3mle n LEU 217 CO 0.39 0.18 0.55 1.17 -1.33 0.00 0.00 177.39 178.35 3mle n LYS 218 N -1.46 0.47 0.00 3.23 3.00 0.50 -5.03 118.16 118.87 3mle n LYS 218 Ca 0.05 0.22 0.00 0.00 -0.00 0.00 0.00 58.31 58.58 3mle n LYS 218 Cb 0.34 -2.25 0.00 0.00 0.00 0.00 0.00 35.03 33.12 3mle n LYS 218 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81