#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mle s HIS 0 N 0.00 3.17 -0.10 1.61 4.02 -0.66 -4.93 115.29 118.40 3mle s HIS 0 Ca 0.00 -0.05 0.01 0.00 1.02 0.00 0.00 55.06 56.04 3mle s HIS 0 Cb 0.00 -1.48 0.02 0.00 -1.02 0.00 0.00 32.58 30.10 3mle s HIS 0 CO 0.00 0.52 -0.11 1.41 1.02 0.00 0.00 174.74 177.57 3mle s MET 1 N -3.47 1.79 -0.26 1.40 1.75 -1.26 -0.45 119.30 118.80 3mle s MET 1 Ca 0.32 -0.39 -0.04 0.00 -1.25 0.00 0.00 55.69 54.33 3mle s MET 1 Cb -0.09 -1.64 0.01 0.00 2.84 0.00 0.00 34.83 35.96 3mle s MET 1 CO 0.25 -0.13 -0.01 -1.17 -0.65 0.00 0.00 175.02 173.30 3mle s LEU 2 N 1.21 3.33 0.08 4.11 2.96 -0.51 -1.81 118.68 128.06 3mle s LEU 2 Ca -0.04 -0.72 -0.25 0.00 -0.22 0.00 0.00 54.13 52.90 3mle s LEU 2 Cb -0.14 -1.75 -0.06 0.00 0.50 0.00 0.00 46.19 44.74 3mle s LEU 2 CO -0.03 -0.13 0.77 0.12 -1.32 0.00 0.00 176.35 175.76 3mle s PHE 3 N 1.41 3.78 -0.18 5.38 5.36 0.25 -0.68 117.98 133.30 3mle s PHE 3 Ca 0.02 1.52 0.00 0.00 -0.96 0.00 0.00 56.93 57.51 3mle s PHE 3 Cb -0.16 -2.81 0.01 0.00 -0.34 0.00 0.00 43.02 39.72 3mle s PHE 3 CO -0.02 0.34 -0.18 0.42 -1.46 0.00 0.00 175.22 174.32 3mle s ILE 4 N -0.35 2.28 0.11 3.12 1.01 0.52 -0.05 121.20 127.84 3mle s ILE 4 Ca 0.38 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 60.17 3mle s ILE 4 Cb -0.21 -1.97 -0.00 0.00 0.01 0.00 0.00 42.46 40.29 3mle s ILE 4 CO 0.24 0.52 0.03 -0.24 0.00 0.00 0.00 174.94 175.49 3mle n SER 5 N 4.57 1.23 -3.90 3.58 2.88 -0.40 -1.05 113.62 120.53 3mle n SER 5 Ca -0.20 -1.56 -0.09 0.00 -1.33 0.00 0.00 58.87 55.68 3mle n SER 5 Cb 0.50 0.24 -0.05 0.00 -0.75 0.00 0.00 64.21 64.15 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 -2.28 -0.20 0.29 -1.46 0.00 -1.25 -0.11 121.76 116.75 3mle s ALA 6 Ca 0.05 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 3mle s ALA 6 Cb 0.00 1.06 0.42 0.00 0.00 0.00 0.00 23.12 24.60 3mle s ALA 6 CO 0.03 -0.86 1.91 1.79 0.00 0.00 0.00 175.76 178.64 3mle h THR 7 N 2.23 1.22 -2.31 0.00 1.35 -1.05 -3.37 112.91 110.97 3mle h THR 7 Ca -0.26 -0.54 0.01 0.00 -0.55 0.00 0.00 66.41 65.07 3mle h THR 7 Cb 1.25 0.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 3mle h THR 7 CO 0.36 0.24 0.15 -3.20 -0.25 0.00 0.00 175.52 172.82 3mle n ASN 8 N -4.36 -0.92 -4.74 5.36 2.85 -1.26 -4.75 115.26 107.44 3mle n ASN 8 Ca 0.07 -1.60 -0.33 0.00 -0.11 0.00 0.00 54.58 52.61 3mle n ASN 8 Cb 0.10 1.52 0.09 0.00 1.24 0.00 0.00 39.78 42.72 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 -2.55 2.74 -1.52 -0.44 -1.32 -1.26 -3.71 115.64 107.59 3mle s THR 9 Ca 0.07 0.32 -0.06 0.00 -1.21 0.00 0.00 61.69 60.82 3mle s THR 9 Cb -0.02 -2.77 0.01 0.00 -1.51 0.00 0.00 72.50 68.21 3mle s THR 9 CO 0.04 -0.24 0.64 -3.20 -2.21 0.00 0.00 174.62 169.65 3mle n ASN 10 N -2.99 -5.87 -0.04 8.08 5.15 -1.26 -4.89 115.26 113.43 3mle n ASN 10 Ca 0.11 -0.32 0.02 0.00 -0.60 0.00 0.00 54.58 53.79 3mle n ASN 10 Cb 0.52 -4.74 -0.14 0.00 -0.53 0.00 0.00 39.78 34.88 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 -3.67 2.25 0.00 5.20 0.00 -1.24 -5.00 120.51 118.04 3mle n ALA 11 Ca -0.09 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.62 3mle n ALA 11 Cb 0.61 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 1.62 0.56 0.41 0.00 0.00 -1.26 -4.27 105.19 102.26 3mle n GLY 12 Ca -0.13 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 -0.36 -0.00 1.61 1.57 -1.91 -0.74 116.57 116.73 3mle h LYS 13 Ca 0.00 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3mle h LYS 13 Cb 0.00 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 3mle h LYS 13 CO 0.00 -0.24 0.00 1.15 -0.57 0.00 0.00 179.45 179.79 3mle h THR 14 N -0.38 1.06 -0.25 -0.16 2.02 -1.97 0.14 112.91 113.37 3mle h THR 14 Ca 0.11 -0.16 0.04 0.00 0.77 0.00 0.00 66.41 67.17 3mle h THR 14 Cb 0.60 1.16 -0.04 0.00 -1.74 0.00 0.00 68.15 68.13 3mle h THR 14 CO -0.55 0.04 0.01 0.74 0.37 0.00 0.00 175.52 176.13 3mle h THR 15 N -0.07 0.83 -0.37 3.16 2.02 -1.94 -1.57 112.91 114.97 3mle h THR 15 Ca 0.00 -0.03 -0.10 0.00 0.77 0.00 0.00 66.41 67.05 3mle h THR 15 Cb 0.07 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 3mle h THR 15 CO -0.00 0.02 -0.16 0.00 0.37 0.00 0.00 175.52 175.74 3mle h ALA 17 N 0.80 0.33 -0.29 0.00 0.00 -0.52 0.56 119.26 120.14 3mle h ALA 17 Ca 0.08 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3mle h ALA 17 Cb 0.70 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3mle h ALA 17 CO 0.05 -0.44 0.10 0.00 0.00 0.00 0.00 179.25 178.96 3mle h ARG 18 N 0.02 0.45 -0.90 0.00 3.08 -0.91 -0.38 114.38 115.75 3mle h ARG 18 Ca 0.23 -0.09 0.07 0.00 0.07 0.00 0.00 59.98 60.26 3mle h ARG 18 Cb 0.34 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.26 3mle h ARG 18 CO -0.46 0.49 0.56 -0.07 -1.07 0.00 0.00 179.97 179.42 3mle h LEU 19 N 0.31 0.86 -0.12 3.04 3.38 -0.47 0.75 115.31 123.07 3mle h LEU 19 Ca 0.09 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3mle h LEU 19 Cb 0.22 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3mle h LEU 19 CO -0.00 0.53 -0.09 0.25 0.09 0.00 0.00 178.44 179.22 3mle h LEU 20 N 0.99 0.28 -0.56 1.67 5.85 -0.64 -2.37 115.31 120.52 3mle h LEU 20 Ca 0.40 -0.45 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3mle h LEU 20 Cb 0.24 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 3mle h LEU 20 CO -0.20 0.67 0.33 0.00 -0.34 0.00 0.00 178.44 178.91 3mle h ALA 21 N 0.61 0.73 -0.28 1.25 0.00 -0.81 -0.47 119.26 120.29 3mle h ALA 21 Ca 0.02 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3mle h ALA 21 Cb 0.58 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 3mle h ALA 21 CO 0.02 0.05 -0.13 0.37 0.00 0.00 0.00 179.25 179.56 3mle h GLN 22 N 0.66 -0.08 0.12 0.00 4.15 -0.84 0.76 115.11 119.89 3mle h GLN 22 Ca 0.23 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.65 3mle h GLN 22 Cb 0.04 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.75 3mle h GLN 22 CO -0.11 -0.06 -0.06 -0.92 -1.93 0.00 0.00 178.83 175.76 3mle h TYR 23 N -0.09 -0.15 -0.01 3.99 3.20 -0.97 -1.20 116.97 121.75 3mle h TYR 23 Ca 0.15 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.04 3mle h TYR 23 Cb 0.31 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 3mle h TYR 23 CO -0.32 -0.01 -0.24 0.00 -1.64 0.00 0.00 178.16 175.95 3mle h ASN 25 N -0.37 0.78 -0.08 0.00 2.35 -0.65 0.12 115.58 117.73 3mle h ASN 25 Ca 0.06 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.74 3mle h ASN 25 Cb 0.45 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 3mle h ASN 25 CO -0.22 0.53 -0.13 0.00 -1.65 0.00 0.00 177.43 175.97 3mle h ALA 26 N 1.57 1.33 -0.11 -0.83 0.00 -0.70 -1.99 119.26 118.53 3mle h ALA 26 Ca 0.30 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3mle h ALA 26 Cb 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3mle h ALA 26 CO -0.09 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.62 3mle n GLY 28 N 0.77 0.47 3.43 0.00 0.00 -0.75 -5.00 105.19 104.12 3mle n GLY 28 Ca 0.08 -0.36 -0.44 0.00 0.00 0.00 0.00 46.02 45.30 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 4.81 -0.38 1.61 1.01 0.31 -4.98 120.40 120.80 3mle s VAL 29 Ca 0.00 -0.55 -0.27 0.00 0.00 0.00 0.00 61.98 61.15 3mle s VAL 29 Cb 0.00 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 3mle s VAL 29 CO 0.00 -0.93 2.05 -0.75 0.00 0.00 0.00 175.10 175.48 3mle s LYS 30 N 2.79 2.91 -0.13 2.72 2.20 -1.26 -2.75 119.74 126.22 3mle s LYS 30 Ca 0.15 1.47 0.01 0.00 -0.36 0.00 0.00 55.97 57.24 3mle s LYS 30 Cb -0.20 -4.36 0.02 0.00 -1.51 0.00 0.00 37.83 31.79 3mle s LYS 30 CO 0.11 -2.36 -0.13 0.99 -0.36 0.00 0.00 175.35 173.60 3mle s THR 31 N 8.73 1.42 0.06 3.43 2.01 -1.26 -1.08 115.64 128.95 3mle s THR 31 Ca 0.87 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 62.32 3mle s THR 31 Cb -0.23 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 3mle s THR 31 CO 0.30 0.43 0.17 -0.51 -0.69 0.00 0.00 174.62 174.32 3mle s ILE 32 N 1.39 5.14 -0.17 1.82 2.07 -0.82 -4.92 121.20 125.71 3mle s ILE 32 Ca 0.02 -0.47 -0.02 0.00 -1.41 0.00 0.00 60.65 58.77 3mle s ILE 32 Cb -0.13 -3.48 -0.01 0.00 0.13 0.00 0.00 42.46 38.97 3mle s ILE 32 CO -0.08 0.16 -0.10 -0.76 -1.91 0.00 0.00 174.94 172.26 3mle s LEU 33 N -2.38 2.72 -0.02 8.50 1.43 -1.26 -1.38 118.68 126.29 3mle s LEU 33 Ca 0.32 -0.39 0.06 0.00 -1.03 0.00 0.00 54.13 53.10 3mle s LEU 33 Cb -0.13 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 3mle s LEU 33 CO 0.25 0.07 -0.21 -0.76 0.23 0.00 0.00 176.35 175.93 3mle s LEU 34 N 0.90 2.03 -0.62 1.79 1.43 0.32 -4.82 118.68 119.71 3mle s LEU 34 Ca -0.02 -0.40 0.05 0.00 -1.03 0.00 0.00 54.13 52.73 3mle s LEU 34 Cb -0.15 -1.11 0.19 0.00 0.03 0.00 0.00 46.19 45.14 3mle s LEU 34 CO -0.00 0.25 0.51 1.17 0.23 0.00 0.00 176.35 178.50 3mle n LYS 35 N 2.66 1.54 -0.29 1.70 3.00 -0.62 -0.11 118.16 126.05 3mle n LYS 35 Ca -0.16 -4.17 -0.04 0.00 -0.00 0.00 0.00 58.31 53.94 3mle n LYS 35 Cb 0.53 -2.09 0.07 0.00 0.00 0.00 0.00 35.03 33.53 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 5.16 1.02 -5.08 1.64 0.13 -1.73 -3.37 132.00 129.77 3mle h PRO 36 Ca 0.18 -0.06 -0.63 0.00 -0.87 0.00 0.00 66.00 64.61 3mle h PRO 36 Cb 0.78 -0.23 -0.33 0.00 0.13 0.00 0.00 31.00 31.34 3mle h PRO 36 CO 0.65 0.68 -0.86 0.42 -0.23 0.00 0.00 178.00 178.66 3mle s ILE 37 N -6.13 1.80 -0.02 -3.56 1.01 -1.26 -1.25 121.20 111.79 3mle s ILE 37 Ca -0.13 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 59.65 3mle s ILE 37 Cb 0.15 -1.58 0.00 0.00 0.01 0.00 0.00 42.46 41.04 3mle s ILE 37 CO 0.78 0.50 0.05 -0.70 0.00 0.00 0.00 174.94 175.57 3mle s GLU 38 N 0.56 0.08 0.34 2.79 2.12 -0.19 -4.53 118.70 119.88 3mle s GLU 38 Ca -0.15 0.03 0.04 0.00 0.36 0.00 0.00 54.97 55.26 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 0.05 -0.01 0.05 0.95 -0.54 0.00 0.00 175.26 175.76 3mle s THR 39 N -0.07 1.34 -0.83 -1.70 -4.23 -1.26 -1.83 115.64 107.05 3mle s THR 39 Ca -0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 3mle s THR 39 Cb -0.01 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 71.00 3mle s THR 39 CO 0.00 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 3mle n GLY 40 N -0.73 0.42 3.46 3.99 0.00 -0.21 -4.89 105.19 107.22 3mle n GLY 40 Ca -0.03 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.40 2.61 -0.41 1.61 -7.23 -0.54 -4.90 120.40 109.14 3mle s VAL 41 Ca 0.00 -1.86 0.04 0.00 -1.81 0.00 0.00 61.98 58.34 3mle s VAL 41 Cb 0.00 -2.25 0.16 0.00 0.56 0.00 0.00 36.38 34.86 3mle s VAL 41 CO 0.00 -0.07 0.37 0.21 -0.31 0.00 0.00 175.10 175.30 3mle s ASN 42 N -2.60 1.29 0.00 4.85 3.84 -1.26 -3.54 114.94 117.51 3mle s ASN 42 Ca 0.21 -2.52 0.00 0.00 0.21 0.00 0.00 52.86 50.76 3mle s ASN 42 Cb -0.09 0.02 0.00 0.00 -0.55 0.00 0.00 41.25 40.63 3mle s ASN 42 CO 0.11 -0.19 0.93 0.47 -2.79 0.00 0.00 177.10 175.62 3mle n ASP 43 N 3.28 0.00 0.05 -4.21 8.00 -1.26 -0.28 116.55 122.13 3mle n ASP 43 Ca 0.22 0.43 -0.18 0.00 0.71 0.00 0.00 54.79 55.97 3mle n ASP 43 Cb 0.47 -0.43 -0.14 0.00 -0.02 0.00 0.00 41.12 40.99 3mle n ASP 43 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mle h ALA 44 N 1.98 0.32 0.00 2.24 0.00 -2.05 -3.40 119.26 118.35 3mle h ALA 44 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.71 3mle h ALA 44 Cb 0.01 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3mle h ALA 44 CO 0.00 1.18 -0.73 -0.89 0.00 0.00 0.00 179.25 178.81 3mle n ILE 45 N -3.45 0.00 -3.92 0.00 2.08 0.50 -4.96 119.36 109.61 3mle n ILE 45 Ca -0.21 -0.26 -0.19 0.00 0.56 0.00 0.00 62.75 62.64 3mle n ILE 45 Cb 1.05 0.78 -0.17 0.00 -0.75 0.00 0.00 39.64 40.56 3mle n ILE 45 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 3mle s ASN 46 N -2.23 0.90 -0.34 4.38 0.01 0.61 -5.02 114.94 113.26 3mle s ASN 46 Ca 0.01 -0.05 0.06 0.00 -0.71 0.00 0.00 52.86 52.17 3mle s ASN 46 Cb 0.07 -0.32 0.47 0.00 0.41 0.00 0.00 41.25 41.87 3mle s ASN 46 CO 0.38 -0.13 1.39 0.00 -1.51 0.00 0.00 177.10 177.23 3mle n HIS 47 N 4.48 2.10 -2.40 2.20 1.44 -1.26 -4.03 115.22 117.75 3mle n HIS 47 Ca -0.19 -2.11 0.03 0.00 -2.01 0.00 0.00 57.72 53.44 3mle n HIS 47 Cb 0.50 -0.54 0.05 0.00 0.12 0.00 0.00 29.99 30.13 3mle n HIS 47 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 3mle n SER 48 N -0.89 1.22 -4.85 4.39 3.41 -1.26 -4.93 113.62 110.71 3mle n SER 48 Ca 0.41 -2.30 -0.29 0.00 -0.26 0.00 0.00 58.87 56.44 3mle n SER 48 Cb 0.91 -0.35 0.11 0.00 -0.26 0.00 0.00 64.21 64.62 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 -2.38 4.09 0.18 4.04 1.04 -1.26 -4.89 113.70 114.53 3mle s SER 49 Ca 0.34 0.89 -0.13 0.00 0.48 0.00 0.00 55.95 57.53 3mle s SER 49 Cb 0.38 -1.43 0.16 0.00 0.10 0.00 0.00 66.02 65.23 3mle s SER 49 CO -0.14 -2.18 1.75 0.44 0.98 0.00 0.00 173.24 174.09 3mle h ASP 50 N -1.24 0.19 -0.58 7.02 3.32 -1.98 -2.13 116.42 121.02 3mle h ASP 50 Ca -0.48 0.06 0.05 0.00 0.02 0.00 0.00 57.03 56.68 3mle h ASP 50 Cb 1.33 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.87 3mle h ASP 50 CO 0.64 0.14 0.31 0.00 -1.72 0.00 0.00 179.24 178.61 3mle h ALA 51 N 1.32 0.76 -0.18 3.45 0.00 -1.92 -0.48 119.26 122.21 3mle h ALA 51 Ca 0.23 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3mle h ALA 51 Cb 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3mle h ALA 51 CO -0.23 -0.02 0.11 0.45 0.00 0.00 0.00 179.25 179.55 3mle h HIS 52 N 0.59 0.23 -0.58 0.00 3.86 -1.83 0.31 115.15 117.72 3mle h HIS 52 Ca 0.26 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 3mle h HIS 52 Cb 0.15 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.52 3mle h HIS 52 CO -0.09 0.18 0.38 -0.07 0.86 0.00 0.00 177.93 179.18 3mle h LEU 53 N 0.21 0.68 -0.48 2.43 3.38 -0.94 -1.64 115.31 118.95 3mle h LEU 53 Ca 0.06 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3mle h LEU 53 Cb 0.01 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3mle h LEU 53 CO -0.01 0.50 0.26 -0.26 0.09 0.00 0.00 178.44 179.02 3mle h PHE 54 N 0.79 0.49 -0.37 1.13 -1.00 -0.61 -2.83 116.94 114.53 3mle h PHE 54 Ca 0.21 0.02 0.05 0.00 2.81 0.00 0.00 57.97 61.06 3mle h PHE 54 Cb -0.08 -0.15 -0.04 0.00 3.61 0.00 0.00 35.95 39.29 3mle h PHE 54 CO -0.03 0.26 0.11 1.25 -1.61 0.00 0.00 178.31 178.29 3mle h LEU 55 N 0.52 0.10 -1.57 1.54 5.85 0.54 0.16 115.31 122.45 3mle h LEU 55 Ca 0.20 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.92 3mle h LEU 55 Cb 0.07 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3mle h LEU 55 CO -0.12 0.09 -0.23 1.56 -0.34 0.00 0.00 178.44 179.41 3mle h GLN 56 N 0.25 0.00 0.07 1.25 7.50 -1.36 -0.21 115.11 122.62 3mle h GLN 56 Ca 0.17 0.00 -0.22 0.00 0.50 0.00 0.00 58.65 59.10 3mle h GLN 56 Cb 0.16 0.00 0.02 0.00 0.05 0.00 0.00 27.48 27.71 3mle h GLN 56 CO -0.19 0.23 -0.89 -0.44 -1.50 0.00 0.00 178.83 176.04 3mle h ASP 57 N 0.00 0.66 -0.34 1.46 5.19 -0.93 -3.29 116.42 119.17 3mle h ASP 57 Ca -0.00 -0.82 -0.01 0.00 -0.62 0.00 0.00 57.03 55.58 3mle h ASP 57 Cb 0.42 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.70 3mle h ASP 57 CO 0.03 1.41 0.19 0.78 -3.12 0.00 0.00 179.24 178.53 3mle h ASN 58 N -0.01 0.45 0.53 6.45 2.35 -0.38 -2.87 115.58 122.10 3mle h ASN 58 Ca -0.13 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 3mle h ASN 58 Cb 1.61 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.87 3mle h ASN 58 CO 0.17 0.38 0.00 0.03 -1.65 0.00 0.00 177.43 176.36 3mle h ARG 59 N 0.52 0.00 0.00 0.81 3.08 -1.11 0.75 114.38 118.43 3mle h ARG 59 Ca 0.13 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 3mle h ARG 59 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 3mle h ARG 59 CO -0.02 0.00 -0.02 -0.07 -1.07 0.00 0.00 179.97 178.79 3mle h LEU 60 N 0.00 0.00 0.00 3.04 3.38 -1.65 -2.99 115.31 117.10 3mle h LEU 60 Ca 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 3mle h LEU 60 Cb 0.27 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 3mle h LEU 60 CO 0.00 0.02 -2.50 0.18 0.09 0.00 0.00 178.44 176.22 3mle n LEU 61 N -3.12 2.67 -3.47 1.67 4.77 0.14 -4.90 117.00 114.76 3mle n LEU 61 Ca 0.00 0.01 -0.25 0.00 -0.03 0.00 0.00 56.01 55.74 3mle n LEU 61 Cb 0.29 -0.88 -0.12 0.00 -2.33 0.00 0.00 43.42 40.37 3mle n LEU 61 CO 0.27 0.83 -0.27 -0.62 -1.33 0.00 0.00 177.39 176.27 3mle s ASP 62 N -6.82 2.72 0.56 -1.43 2.15 -0.52 -5.02 116.67 108.30 3mle s ASP 62 Ca -0.36 -1.39 0.30 0.00 0.43 0.00 0.00 52.55 51.52 3mle s ASP 62 Cb 0.11 -0.06 1.65 0.00 -0.30 0.00 0.00 42.92 44.32 3mle s ASP 62 CO 0.57 -0.38 2.15 -0.09 -0.17 0.00 0.00 175.17 177.25 3mle h ARG 63 N 7.93 0.00 0.00 4.34 9.65 -1.78 -2.48 114.38 132.03 3mle h ARG 63 Ca -0.10 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 3mle h ARG 63 Cb 1.02 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.60 3mle h ARG 63 CO 0.35 0.07 0.00 -1.13 2.80 0.00 0.00 179.97 182.06 3mle n SER 64 N -3.64 0.51 -4.76 -3.80 3.41 -1.26 -4.85 113.62 99.23 3mle n SER 64 Ca -0.02 0.62 -0.37 0.00 -0.26 0.00 0.00 58.87 58.84 3mle n SER 64 Cb 0.18 -0.73 0.02 0.00 -0.26 0.00 0.00 64.21 63.41 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 -4.13 3.88 0.18 1.04 1.43 -0.93 -5.05 118.68 115.10 3mle s LEU 65 Ca 0.05 2.50 0.04 0.00 -1.03 0.00 0.00 54.13 55.68 3mle s LEU 65 Cb 0.09 -4.33 -0.05 0.00 0.03 0.00 0.00 46.19 41.94 3mle s LEU 65 CO 0.37 -1.31 -0.05 0.42 0.23 0.00 0.00 176.35 176.01 3mle s THR 66 N -1.47 1.05 0.20 5.49 -4.23 -1.26 -5.00 115.64 110.42 3mle s THR 66 Ca 0.69 -2.04 -0.13 0.00 -1.18 0.00 0.00 61.69 59.04 3mle s THR 66 Cb -0.33 -2.04 0.15 0.00 1.34 0.00 0.00 72.50 71.61 3mle s THR 66 CO 0.39 -0.57 1.68 0.25 -0.54 0.00 0.00 174.62 175.83 3mle h LEU 67 N 2.67 -0.22 -2.55 4.79 5.85 -1.95 0.56 115.31 124.46 3mle h LEU 67 Ca -0.37 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3mle h LEU 67 Cb 1.20 0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.46 3mle h LEU 67 CO 0.64 -0.08 0.00 0.11 -0.34 0.00 0.00 178.44 178.77 3mle h LYS 68 N 0.12 0.00 0.00 1.25 6.56 -1.98 -1.18 116.57 121.35 3mle h LYS 68 Ca 0.27 0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.73 3mle h LYS 68 Cb 0.42 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.06 3mle h LYS 68 CO -0.45 0.00 -0.63 -0.44 -2.06 0.00 0.00 179.45 175.88 3mle h ASP 69 N 0.00 0.00 -0.00 0.86 3.32 -1.29 -3.37 116.42 115.94 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 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3mle h ASP 69 CO 0.00 0.63 -0.01 2.30 -1.72 0.00 0.00 179.24 180.44 3mle n ILE 70 N -3.51 0.00 -3.77 0.35 -5.35 -0.64 -4.99 119.36 101.46 3mle n ILE 70 Ca -0.00 -0.50 -0.13 0.00 -0.27 0.00 0.00 62.75 61.85 3mle n ILE 70 Cb 0.69 1.01 -0.14 0.00 -1.74 0.00 0.00 39.64 39.47 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 -0.36 -0.16 0.00 7.28 0.15 -0.54 -1.59 113.70 118.48 3mle s SER 71 Ca 0.01 0.35 0.00 0.00 0.70 0.00 0.00 55.95 57.00 3mle s SER 71 Cb 0.01 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 3mle s SER 71 CO 0.01 -0.12 0.00 0.49 1.20 0.00 0.00 173.24 174.82 3mle n PHE 72 N 3.81 0.00 -4.05 3.44 3.72 -0.38 -4.28 117.46 119.72 3mle n PHE 72 Ca -0.22 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.85 3mle n PHE 72 Cb 0.54 0.00 -0.15 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 3.00 -0.06 1.38 2.02 -0.44 -5.05 117.35 116.29 3mle s TYR 73 Ca 0.00 -1.77 0.01 0.00 -0.37 0.00 0.00 57.07 54.94 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 -0.79 -0.05 1.03 -1.57 0.00 0.00 175.55 174.17 3mle s ARG 74 N 1.26 0.94 0.05 -0.62 0.52 -1.26 -1.02 118.95 118.83 3mle s ARG 74 Ca -0.00 -0.12 0.03 0.00 -0.52 0.00 0.00 55.73 55.13 3mle s ARG 74 Cb -0.16 -0.97 -0.03 0.00 0.52 0.00 0.00 34.95 34.31 3mle s ARG 74 CO -0.08 -0.12 -0.10 0.71 0.02 0.00 0.00 175.30 175.73 3mle s TYR 75 N 1.10 0.90 0.16 -0.53 2.02 -0.76 -5.02 117.35 115.21 3mle s TYR 75 Ca -0.08 -0.48 -0.06 0.00 -0.37 0.00 0.00 57.07 56.07 3mle s TYR 75 Cb -0.14 -0.52 0.01 0.00 -0.40 0.00 0.00 41.96 40.91 3mle s TYR 75 CO -0.01 -0.03 1.43 0.45 -1.57 0.00 0.00 175.55 175.83 3mle h HIS 76 N 4.41 0.82 -3.25 2.71 3.86 -1.90 -0.24 115.15 121.55 3mle h HIS 76 Ca -0.38 -0.32 -0.53 0.00 -1.16 0.00 0.00 60.37 57.99 3mle h HIS 76 Cb 1.20 -0.14 0.06 0.00 1.06 0.00 0.00 27.41 29.58 3mle h HIS 76 CO 0.64 1.10 0.80 0.21 0.86 0.00 0.00 177.93 181.53 3mle s LYS 77 N -3.89 4.24 -1.21 2.45 2.20 -1.26 -3.64 119.74 118.63 3mle s LYS 77 Ca -0.08 2.33 -0.15 0.00 -0.36 0.00 0.00 55.97 57.71 3mle s LYS 77 Cb 0.10 -3.11 0.14 0.00 -1.51 0.00 0.00 37.83 33.45 3mle s LYS 77 CO 0.86 -0.48 1.51 0.08 -0.36 0.00 0.00 175.35 176.96 3mle s VAL 78 N 0.26 4.72 0.35 4.02 1.01 -1.26 -1.20 120.40 128.30 3mle s VAL 78 Ca 0.62 -2.32 -0.16 0.00 0.00 0.00 0.00 61.98 60.11 3mle s VAL 78 Cb -0.43 -4.99 0.04 0.00 0.00 0.00 0.00 36.38 31.00 3mle s VAL 78 CO 0.41 -1.74 0.75 -0.94 0.00 0.00 0.00 175.10 173.57 3mle s SER 79 N 3.33 -0.02 0.45 3.32 1.04 -1.26 -4.96 113.70 115.60 3mle s SER 79 Ca 0.45 -1.02 -0.25 0.00 0.48 0.00 0.00 55.95 55.62 3mle s SER 79 Cb -0.01 0.80 -0.09 0.00 0.10 0.00 0.00 66.02 66.83 3mle s SER 79 CO 0.02 -1.57 1.30 0.00 0.98 0.00 0.00 173.24 173.97 3mle n ALA 80 N -0.51 1.45 -0.27 5.32 0.00 -1.26 -4.79 120.51 120.45 3mle n ALA 80 Ca -0.07 0.24 0.02 0.00 0.00 0.00 0.00 53.44 53.63 3mle n ALA 80 Cb 0.60 -2.30 0.14 0.00 0.00 0.00 0.00 19.45 17.89 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 2.02 0.72 -0.68 0.00 0.11 -1.90 -2.00 132.00 130.26 3mle h PRO 81 Ca -0.49 -0.04 0.10 0.00 0.11 0.00 0.00 66.00 65.68 3mle h PRO 81 Cb 1.29 -0.16 -0.07 0.00 0.11 0.00 0.00 31.00 32.17 3mle h PRO 81 CO 0.60 0.47 0.32 1.25 -0.21 0.00 0.00 178.00 180.42 3mle h LEU 82 N 0.74 0.39 -0.27 2.35 5.85 -1.51 0.38 115.31 123.23 3mle h LEU 82 Ca 0.37 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 59.10 3mle h LEU 82 Cb 0.32 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3mle h LEU 82 CO -0.23 0.22 -0.03 0.40 -0.34 0.00 0.00 178.44 178.45 3mle h ILE 83 N 0.54 1.27 0.11 4.05 1.08 -1.72 -1.72 117.51 121.12 3mle h ILE 83 Ca 0.34 -1.00 0.01 0.00 -0.39 0.00 0.00 64.86 63.82 3mle h ILE 83 Cb 0.39 1.39 -0.02 0.00 -3.07 0.00 0.00 36.82 35.51 3mle h ILE 83 CO -0.29 0.32 -0.14 0.00 -0.69 0.00 0.00 178.15 177.35 3mle h ALA 84 N 0.80 -0.26 0.17 1.87 0.00 -0.75 -2.64 119.26 118.44 3mle h ALA 84 Ca 0.07 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3mle h ALA 84 Cb 0.48 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3mle h ALA 84 CO 0.02 -0.67 -0.49 0.37 0.00 0.00 0.00 179.25 178.48 3mle h GLN 85 N -0.30 -0.72 -0.97 0.00 -0.00 -0.20 0.20 115.11 113.11 3mle h GLN 85 Ca 0.01 0.05 0.19 0.00 -0.00 0.00 0.00 58.65 58.90 3mle h GLN 85 Cb 0.30 0.16 -0.11 0.00 0.00 0.00 0.00 27.48 27.84 3mle h GLN 85 CO -0.06 -0.48 0.57 1.96 0.00 0.00 0.00 178.83 180.81 3mle h GLN 86 N -0.75 0.69 0.07 1.69 4.20 -1.31 0.44 115.11 120.13 3mle h GLN 86 Ca -0.00 -0.04 -0.27 0.00 0.06 0.00 0.00 58.65 58.40 3mle h GLN 86 Cb 0.75 -0.16 0.03 0.00 0.30 0.00 0.00 27.48 28.40 3mle h GLN 86 CO -0.25 0.46 -1.10 1.49 -0.67 0.00 0.00 178.83 178.76 3mle h GLU 87 N 0.71 0.62 0.00 1.46 4.81 -1.16 -3.30 114.58 117.72 3mle h GLU 87 Ca 0.56 -0.76 -0.22 0.00 -0.13 0.00 0.00 59.36 58.80 3mle h GLU 87 Cb 0.88 0.24 -0.04 0.00 0.63 0.00 0.00 28.75 30.46 3mle h GLU 87 CO -0.39 1.33 -2.19 0.39 -0.73 0.00 0.00 179.01 177.42 3mle n GLU 88 N -3.87 0.77 -3.08 1.92 1.02 0.03 -4.68 120.64 112.75 3mle n GLU 88 Ca -0.13 -0.08 -0.18 0.00 -0.02 0.00 0.00 57.16 56.76 3mle n GLU 88 Cb 0.92 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.82 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 -2.54 -0.27 -0.12 1.62 2.03 0.15 -5.00 116.55 112.42 3mle n ASP 89 Ca -0.21 -3.00 0.07 0.00 0.52 0.00 0.00 54.79 52.17 3mle n ASP 89 Cb 0.92 -0.02 0.40 0.00 -0.72 0.00 0.00 41.12 41.70 3mle n ASP 89 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3mle h PRO 90 N 3.52 0.61 -0.07 -0.67 0.11 -1.62 -2.15 132.00 131.73 3mle h PRO 90 Ca 0.03 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3mle h PRO 90 Cb 0.96 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3mle h PRO 90 CO 0.42 0.40 0.00 0.09 -0.21 0.00 0.00 178.00 178.70 3mle n ASN 91 N -4.47 0.53 -3.33 -2.05 3.02 -1.26 -4.47 115.26 103.23 3mle n ASN 91 Ca 0.09 -1.69 -0.26 0.00 -0.03 0.00 0.00 54.58 52.68 3mle n ASN 91 Cb 0.22 -0.05 -0.09 0.00 -0.61 0.00 0.00 39.78 39.26 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 -0.35 2.76 -1.36 5.41 0.00 -0.81 -5.12 120.51 121.04 3mle n ALA 92 Ca 0.10 -3.39 -0.35 0.00 0.00 0.00 0.00 53.44 49.80 3mle n ALA 92 Cb 0.12 -0.80 0.10 0.00 0.00 0.00 0.00 19.45 18.88 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 2.06 0.56 -2.17 0.00 -0.02 -1.26 -4.89 135.00 129.28 3mle n PRO 93 Ca 0.26 0.26 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 3mle n PRO 93 Cb 0.49 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 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 -1.81 3.26 -0.48 4.25 1.01 -1.26 -4.97 121.20 121.20 3mle s ILE 94 Ca 0.77 0.93 -0.13 0.00 0.00 0.00 0.00 60.65 62.21 3mle s ILE 94 Cb -0.33 -3.60 0.10 0.00 0.01 0.00 0.00 42.46 38.64 3mle s ILE 94 CO 0.47 0.08 0.40 -0.62 0.00 0.00 0.00 174.94 175.27 3mle s ASP 95 N 0.97 5.99 0.29 3.58 -1.08 -1.26 -4.88 116.67 120.27 3mle s ASP 95 Ca 0.63 -1.62 0.10 0.00 -0.52 0.00 0.00 52.55 51.14 3mle s ASP 95 Cb -0.37 -2.13 0.43 0.00 -1.46 0.00 0.00 42.92 39.40 3mle s ASP 95 CO 0.32 -0.71 1.66 0.71 0.52 0.00 0.00 175.17 177.68 3mle h THR 96 N 5.92 1.38 0.06 1.71 1.35 -1.98 -1.44 112.91 119.92 3mle h THR 96 Ca -0.27 -1.83 -0.00 0.00 -0.55 0.00 0.00 66.41 63.76 3mle h THR 96 Cb 1.10 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 3mle h THR 96 CO 0.91 0.53 -0.03 0.44 -0.25 0.00 0.00 175.52 177.11 3mle h ASP 97 N 0.05 -0.07 0.21 5.36 5.19 -1.99 0.92 116.42 126.09 3mle h ASP 97 Ca -0.00 -0.02 0.01 0.00 -0.62 0.00 0.00 57.03 56.40 3mle h ASP 97 Cb 0.96 0.02 -0.04 0.00 0.18 0.00 0.00 39.33 40.45 3mle h ASP 97 CO 0.07 -0.03 -0.48 -1.13 -3.12 0.00 0.00 179.24 174.56 3mle h ASN 98 N -0.11 -1.39 -0.95 6.45 -1.24 -1.94 -1.83 115.58 114.58 3mle h ASN 98 Ca -0.01 0.14 0.18 0.00 0.71 0.00 0.00 56.30 57.32 3mle h ASN 98 Cb 0.08 0.50 -0.11 0.00 0.73 0.00 0.00 38.32 39.53 3mle h ASN 98 CO 0.01 -0.55 0.54 -0.07 -1.29 0.00 0.00 177.43 176.07 3mle h LEU 99 N -0.77 0.66 -0.50 0.34 3.38 -1.11 -0.11 115.31 117.21 3mle h LEU 99 Ca -0.01 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3mle h LEU 99 Cb 0.75 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3mle h LEU 99 CO -0.22 0.23 0.23 0.74 0.09 0.00 0.00 178.44 179.51 3mle h THR 100 N 0.68 1.20 -0.00 0.22 2.02 -0.32 -0.76 112.91 115.94 3mle h THR 100 Ca 0.54 -0.56 0.02 0.00 0.77 0.00 0.00 66.41 67.18 3mle h THR 100 Cb 0.84 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 3mle h THR 100 CO -0.39 0.22 -0.09 1.56 0.37 0.00 0.00 175.52 177.19 3mle h GLN 101 N 0.66 -0.14 -0.72 6.66 7.50 -0.21 -1.07 115.11 127.77 3mle h GLN 101 Ca 0.17 0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.32 3mle h GLN 101 Cb 0.13 0.03 -0.03 0.00 0.05 0.00 0.00 27.48 27.66 3mle h GLN 101 CO -0.02 -0.10 0.40 0.00 -1.50 0.00 0.00 178.83 177.61 3mle h ARG 102 N -0.15 1.01 -0.11 1.46 3.08 -1.16 0.80 114.38 119.31 3mle h ARG 102 Ca 0.03 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 3mle h ARG 102 Cb 0.19 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 3mle h ARG 102 CO -0.09 0.75 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.46 3mle h LEU 103 N 1.00 0.21 -1.26 3.04 3.38 -0.95 -3.01 115.31 117.71 3mle h LEU 103 Ca 0.26 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3mle h LEU 103 Cb 0.03 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3mle h LEU 103 CO -0.04 0.53 0.15 0.45 0.09 0.00 0.00 178.44 179.62 3mle h HIS 104 N -0.12 0.66 -0.94 1.13 3.86 -0.90 -1.83 115.15 117.01 3mle h HIS 104 Ca 0.03 -0.04 0.27 0.00 -1.16 0.00 0.00 60.37 59.47 3mle h HIS 104 Cb 0.44 -0.20 -0.14 0.00 1.06 0.00 0.00 27.41 28.57 3mle h HIS 104 CO 0.05 0.54 0.41 -0.91 0.86 0.00 0.00 177.93 178.88 3mle h ASN 105 N 0.64 0.28 0.40 2.45 2.35 -0.71 0.23 115.58 121.23 3mle h ASN 105 Ca 0.15 0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 56.05 3mle h ASN 105 Cb 0.19 0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 3mle h ASN 105 CO -0.01 -0.11 -0.19 -0.26 -1.65 0.00 0.00 177.43 175.21 3mle h PHE 106 N 0.30 0.00 0.00 1.19 0.04 -1.29 -2.52 116.94 114.66 3mle h PHE 106 Ca 0.63 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.40 3mle h PHE 106 Cb 1.33 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.48 3mle h PHE 106 CO -0.13 0.19 -0.02 1.79 -0.60 0.00 0.00 178.31 179.53 3mle h THR 107 N 0.00 0.07 -0.50 -1.55 1.35 -0.60 0.15 112.91 111.84 3mle h THR 107 Ca -0.00 -0.37 -0.04 0.00 -0.55 0.00 0.00 66.41 65.45 3mle h THR 107 Cb 0.44 1.34 -0.02 0.00 -1.73 0.00 0.00 68.15 68.18 3mle h THR 107 CO 0.02 0.02 0.16 0.11 -0.25 0.00 0.00 175.52 175.58 3mle h LYS 108 N 0.00 0.74 -0.00 4.72 1.57 -1.47 -2.23 116.57 119.90 3mle h LYS 108 Ca -0.00 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3mle h LYS 108 Cb 0.34 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3mle h LYS 108 CO 0.00 0.64 -0.08 0.25 -0.57 0.00 0.00 179.45 179.70 3mle n THR 109 N -4.32 0.00 -5.20 -0.16 -2.24 -0.80 -4.88 114.28 96.69 3mle n THR 109 Ca 0.04 -0.46 -0.31 0.00 -2.27 0.00 0.00 64.05 61.05 3mle n THR 109 Cb 0.19 1.03 -0.16 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.84 2.33 0.25 4.78 2.02 -0.02 -5.03 117.35 120.84 3mle s TYR 110 Ca 0.02 -0.43 -0.05 0.00 -0.37 0.00 0.00 57.07 56.24 3mle s TYR 110 Cb 0.02 -1.47 0.30 0.00 -0.40 0.00 0.00 41.96 40.41 3mle s TYR 110 CO 0.09 0.01 1.92 -0.44 -1.57 0.00 0.00 175.55 175.55 3mle h ASP 111 N 5.30 1.13 -3.49 2.29 3.32 -1.41 -3.37 116.42 120.20 3mle h ASP 111 Ca -0.44 -0.02 -0.27 0.00 0.02 0.00 0.00 57.03 56.32 3mle h ASP 111 Cb 1.13 -0.27 -0.33 0.00 0.22 0.00 0.00 39.33 40.08 3mle h ASP 111 CO 0.46 0.80 -0.67 -0.22 -1.72 0.00 0.00 179.24 177.88 3mle s LEU 112 N -10.13 0.94 -0.32 1.55 2.96 -0.38 -1.65 118.68 111.64 3mle s LEU 112 Ca -0.13 0.15 -0.03 0.00 -0.22 0.00 0.00 54.13 53.90 3mle s LEU 112 Cb 0.19 0.12 0.06 0.00 0.50 0.00 0.00 46.19 47.05 3mle s LEU 112 CO 0.82 -0.14 0.05 -0.69 -1.32 0.00 0.00 176.35 175.08 3mle s VAL 113 N 1.10 3.22 -0.18 1.68 1.01 0.40 -1.95 120.40 125.68 3mle s VAL 113 Ca -0.09 -1.42 -0.18 0.00 0.00 0.00 0.00 61.98 60.30 3mle s VAL 113 Cb -0.12 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 3mle s VAL 113 CO -0.04 -0.20 0.47 -0.63 0.00 0.00 0.00 175.10 174.70 3mle s ILE 114 N 1.27 5.15 -0.27 2.22 1.01 -0.48 -1.42 121.20 128.69 3mle s ILE 114 Ca -0.03 0.89 0.00 0.00 0.00 0.00 0.00 60.65 61.52 3mle s ILE 114 Cb -0.20 -3.80 0.05 0.00 0.01 0.00 0.00 42.46 38.51 3mle s ILE 114 CO -0.01 0.24 -0.07 -0.69 0.00 0.00 0.00 174.94 174.42 3mle s VAL 115 N 1.25 2.60 -0.10 2.92 1.01 0.14 -0.52 120.40 127.70 3mle s VAL 115 Ca 0.23 -1.38 -0.28 0.00 0.00 0.00 0.00 61.98 60.55 3mle s VAL 115 Cb -0.15 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 3mle s VAL 115 CO 0.09 0.03 0.95 -0.70 0.00 0.00 0.00 175.10 175.47 3mle s GLU 116 N 1.21 4.42 0.00 2.72 2.12 0.85 -0.35 118.70 129.67 3mle s GLU 116 Ca -0.05 1.30 0.00 0.00 0.36 0.00 0.00 54.97 56.58 3mle s GLU 116 Cb -0.19 -3.53 0.00 0.00 0.26 0.00 0.00 34.13 30.67 3mle s GLU 116 CO -0.04 -0.25 0.00 0.41 -0.54 0.00 0.00 175.26 174.84 3mle n GLY 117 N 3.13 -1.91 3.08 -1.50 0.00 -0.21 -4.21 105.19 103.57 3mle n GLY 117 Ca 0.07 -1.50 -0.26 0.00 0.00 0.00 0.00 46.02 44.34 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 -3.30 1.43 0.00 4.61 0.00 -1.26 -4.95 121.76 118.29 3mle s ALA 118 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.39 3mle s ALA 118 Cb 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.57 3mle s ALA 118 CO 0.00 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.37 3mle n GLY 119 N 3.50 2.86 0.00 0.00 0.00 -1.26 -4.80 105.19 105.48 3mle n GLY 119 Ca -0.20 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 1.23 0.24 -0.02 0.00 -1.26 -3.93 105.19 101.45 3mle n GLY 120 Ca 0.00 -1.99 -0.12 0.00 0.00 0.00 0.00 46.02 43.91 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 0.82 -1.72 0.99 3.38 -1.87 -3.20 115.31 113.70 3mle h LEU 121 Ca 0.00 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3mle h LEU 121 Cb 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3mle h LEU 121 CO 0.00 1.17 0.00 0.00 0.09 0.00 0.00 178.44 179.70 3mle s VAL 123 N -1.47 3.21 0.16 0.00 1.01 -1.21 -4.79 120.40 117.31 3mle s VAL 123 Ca 0.34 0.45 -0.29 0.00 0.00 0.00 0.00 61.98 62.47 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 0.92 -2.16 0.00 0.00 0.00 175.10 174.09 3mle s PRO 124 N 3.52 4.73 -0.23 2.72 0.04 -1.26 -1.55 135.00 142.98 3mle s PRO 124 Ca 0.77 1.41 -0.11 0.00 0.04 0.00 0.00 61.00 63.12 3mle s PRO 124 Cb -0.38 -3.33 -0.10 0.00 0.04 0.00 0.00 34.50 30.72 3mle s PRO 124 CO 0.33 0.36 -0.29 -0.89 0.04 0.00 0.00 177.00 176.55 3mle n ILE 125 N 2.23 1.25 -4.46 0.56 5.41 0.10 -2.37 119.36 122.09 3mle n ILE 125 Ca -0.00 -0.33 -0.22 0.00 1.00 0.00 0.00 62.75 63.20 3mle n ILE 125 Cb 0.48 -1.78 -0.10 0.00 -0.71 0.00 0.00 39.64 37.53 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 -2.42 0.95 0.38 1.39 -4.23 -0.58 -3.53 115.64 107.61 3mle s THR 126 Ca -0.32 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.37 3mle s THR 126 Cb 0.12 -2.63 0.38 0.00 1.34 0.00 0.00 72.50 71.71 3mle s THR 126 CO 0.41 0.00 1.73 -0.07 -0.54 0.00 0.00 174.62 176.15 3mle h LEU 127 N 2.03 0.46 0.00 4.79 3.38 -1.96 -2.50 115.31 121.51 3mle h LEU 127 Ca -0.39 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3mle h LEU 127 Cb 1.25 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3mle h LEU 127 CO 0.65 0.03 -1.46 -0.62 0.09 0.00 0.00 178.44 177.13 3mle n GLU 128 N -4.72 0.71 -4.25 1.13 -0.58 -1.26 -5.02 120.64 106.65 3mle n GLU 128 Ca 0.28 -0.10 -0.17 0.00 -0.42 0.00 0.00 57.16 56.75 3mle n GLU 128 Cb 0.94 -1.42 -0.14 0.00 -0.57 0.00 0.00 31.44 30.26 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 -3.08 0.63 0.52 3.49 2.02 -0.94 -5.09 118.70 116.24 3mle s GLU 129 Ca -0.01 -0.43 0.01 0.00 0.02 0.00 0.00 54.97 54.56 3mle s GLU 129 Cb 0.13 -0.58 0.01 0.00 0.10 0.00 0.00 34.13 33.79 3mle s GLU 129 CO 0.78 0.15 0.07 0.27 0.02 0.00 0.00 175.26 176.55 3mle n ASN 130 N 2.48 3.31 -0.29 -0.19 0.23 -1.26 -0.72 115.26 118.82 3mle n ASN 130 Ca -0.16 -3.18 0.01 0.00 -0.53 0.00 0.00 54.58 50.72 3mle n ASN 130 Cb 0.57 0.29 0.21 0.00 -2.08 0.00 0.00 39.78 38.77 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 1.07 -0.25 -3.83 2.86 -1.11 -1.17 114.93 112.50 3mle h MET 131 Ca -0.41 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.16 3mle h MET 131 Cb 1.28 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.69 3mle h MET 131 CO 0.68 0.71 0.12 1.25 1.06 0.00 0.00 176.91 180.73 3mle h LEU 132 N 1.10 0.32 -0.52 1.22 5.85 -1.44 -0.90 115.31 120.95 3mle h LEU 132 Ca 0.34 -0.11 0.09 0.00 0.84 0.00 0.00 57.88 59.04 3mle h LEU 132 Cb 0.00 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 40.88 3mle h LEU 132 CO -0.10 0.34 0.12 0.44 -0.34 0.00 0.00 178.44 178.90 3mle h ASP 133 N 0.27 0.05 -0.07 1.25 3.32 -1.62 -0.68 116.42 118.94 3mle h ASP 133 Ca 0.09 0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.24 3mle h ASP 133 Cb 0.10 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3mle h ASP 133 CO -0.01 0.05 -0.02 0.15 -1.72 0.00 0.00 179.24 177.69 3mle h PHE 134 N 0.27 -0.05 -0.98 4.55 3.57 -1.01 -0.06 116.94 123.23 3mle h PHE 134 Ca 0.26 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.84 3mle h PHE 134 Cb 0.34 0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.04 3mle h PHE 134 CO -0.21 -0.04 0.63 0.00 -2.23 0.00 0.00 178.31 176.46 3mle h ALA 135 N 1.05 1.47 -0.32 2.41 0.00 -0.56 -0.82 119.26 122.49 3mle h ALA 135 Ca 0.03 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3mle h ALA 135 Cb 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3mle h ALA 135 CO -0.07 0.36 -0.07 -0.07 0.00 0.00 0.00 179.25 179.40 3mle h LEU 136 N 1.09 0.62 -1.12 0.00 3.38 -0.78 -2.41 115.31 116.09 3mle h LEU 136 Ca 0.44 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3mle h LEU 136 Cb 0.26 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3mle h LEU 136 CO -0.19 0.83 0.60 0.50 0.09 0.00 0.00 178.44 180.27 3mle h LYS 137 N 0.40 1.16 0.00 1.13 3.64 -0.40 -0.28 116.57 122.21 3mle h LYS 137 Ca 0.08 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3mle h LYS 137 Cb 0.55 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3mle h LYS 137 CO 0.03 0.77 0.00 1.28 -2.27 0.00 0.00 179.45 179.26 3mle n LEU 138 N -4.41 0.00 -3.05 5.20 4.77 -0.37 -4.86 117.00 114.28 3mle n LEU 138 Ca 0.11 0.45 -0.19 0.00 -0.03 0.00 0.00 56.01 56.35 3mle n LEU 138 Cb 0.05 -0.45 -0.00 0.00 -2.33 0.00 0.00 43.42 40.68 3mle n LEU 138 CO 0.36 -0.24 -0.07 0.29 -1.33 0.00 0.00 177.39 176.41 3mle n LYS 139 N -1.45 -3.11 -2.51 3.23 4.01 -0.12 -4.92 118.16 113.29 3mle n LYS 139 Ca 0.04 0.51 -0.26 0.00 -0.51 0.00 0.00 58.31 58.09 3mle n LYS 139 Cb 0.15 -5.19 0.02 0.00 -0.51 0.00 0.00 35.03 29.51 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 -2.81 3.39 0.36 7.82 0.00 -0.93 -4.98 121.76 124.59 3mle s ALA 140 Ca 0.26 -0.73 -0.15 0.00 0.00 0.00 0.00 51.96 51.34 3mle s ALA 140 Cb -0.14 -2.53 -0.09 0.00 0.00 0.00 0.00 23.12 20.36 3mle s ALA 140 CO 0.33 -0.69 0.78 0.15 0.00 0.00 0.00 175.76 176.33 3mle s LYS 141 N -4.90 3.99 -0.15 0.00 1.02 -0.75 -4.68 119.74 114.27 3mle s LYS 141 Ca 0.52 0.70 -0.01 0.00 0.02 0.00 0.00 55.97 57.20 3mle s LYS 141 Cb -0.10 -2.38 -0.01 0.00 -0.52 0.00 0.00 37.83 34.81 3mle s LYS 141 CO 0.44 0.09 -0.10 1.41 -0.92 0.00 0.00 175.35 176.27 3mle s MET 142 N -3.18 3.42 -0.26 1.68 -2.45 -0.25 0.87 119.30 119.13 3mle s MET 142 Ca 0.55 -0.65 0.00 0.00 -1.25 0.00 0.00 55.69 54.34 3mle s MET 142 Cb -0.10 -2.75 0.04 0.00 1.25 0.00 0.00 34.83 33.27 3mle s MET 142 CO 0.20 0.12 -0.08 -1.17 1.05 0.00 0.00 175.02 175.14 3mle s LEU 143 N 0.62 3.36 -0.33 4.11 2.96 0.93 -1.10 118.68 129.23 3mle s LEU 143 Ca -0.06 -1.13 -0.11 0.00 -0.22 0.00 0.00 54.13 52.61 3mle s LEU 143 Cb -0.15 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 3mle s LEU 143 CO 0.03 -0.17 0.19 -0.22 -1.32 0.00 0.00 176.35 174.86 3mle s LEU 144 N 1.23 4.34 0.03 -0.68 0.20 -0.29 -1.28 118.68 122.24 3mle s LEU 144 Ca -0.04 -0.54 -0.21 0.00 0.69 0.00 0.00 54.13 54.04 3mle s LEU 144 Cb -0.18 -2.06 -0.06 0.00 -0.43 0.00 0.00 46.19 43.46 3mle s LEU 144 CO -0.05 -0.23 0.60 -0.63 -0.29 0.00 0.00 176.35 175.76 3mle s ILE 145 N 1.65 4.81 0.10 6.68 -1.09 0.84 -1.42 121.20 132.77 3mle s ILE 145 Ca 0.05 1.28 0.08 0.00 -2.23 0.00 0.00 60.65 59.83 3mle s ILE 145 Cb -0.17 -3.94 -0.04 0.00 -1.58 0.00 0.00 42.46 36.73 3mle s ILE 145 CO 0.08 0.47 -0.15 -0.55 -1.23 0.00 0.00 174.94 173.56 3mle s SER 146 N -0.55 4.06 0.97 3.58 0.15 0.56 -0.38 113.70 122.09 3mle s SER 146 Ca 0.31 -0.47 -0.12 0.00 0.70 0.00 0.00 55.95 56.37 3mle s SER 146 Cb -0.19 -0.66 0.17 0.00 -1.71 0.00 0.00 66.02 63.63 3mle s SER 146 CO 0.19 0.19 1.10 -1.38 1.20 0.00 0.00 173.24 174.54 3mle s HIS 147 N -1.13 2.21 -0.21 3.44 -3.43 -1.26 -0.52 115.29 114.39 3mle s HIS 147 Ca 0.18 0.99 0.14 0.00 -0.80 0.00 0.00 55.06 55.58 3mle s HIS 147 Cb -0.11 -3.27 0.48 0.00 -1.43 0.00 0.00 32.58 28.25 3mle s HIS 147 CO 0.10 -2.73 1.39 -0.40 -2.00 0.00 0.00 174.74 171.10 3mle n ASP 148 N -4.06 3.10 -4.97 7.38 5.75 -1.25 -4.64 116.55 117.85 3mle n ASP 148 Ca 0.06 -3.33 -0.18 0.00 -0.01 0.00 0.00 54.79 51.33 3mle n ASP 148 Cb 0.57 -0.56 -0.00 0.00 -1.03 0.00 0.00 41.12 40.10 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 -2.33 5.53 -0.06 -1.12 0.01 -1.26 -4.73 114.94 110.98 3mle s ASN 149 Ca 0.41 -0.48 -0.38 0.00 -0.71 0.00 0.00 52.86 51.70 3mle s ASN 149 Cb 0.36 -0.69 -0.16 0.00 0.41 0.00 0.00 41.25 41.17 3mle s ASN 149 CO 0.04 -0.70 1.50 -0.11 -1.51 0.00 0.00 177.10 176.32 3mle n LEU 150 N -1.75 1.93 0.00 0.60 7.94 -1.26 -1.36 117.00 123.09 3mle n LEU 150 Ca 0.06 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 56.06 3mle n LEU 150 Cb 0.60 -1.17 0.00 0.00 0.53 0.00 0.00 43.42 43.38 3mle n LEU 150 CO 0.40 -0.81 0.00 0.61 -1.11 0.00 0.00 177.39 176.48 3mle n GLY 151 N 3.18 0.65 0.23 -3.96 0.00 -1.26 -4.99 105.19 99.04 3mle n GLY 151 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.23 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 0.32 0.23 0.99 8.10 -1.53 -2.69 115.31 120.73 3mle h LEU 152 Ca 0.00 -0.09 -0.00 0.00 0.11 0.00 0.00 57.88 57.90 3mle h LEU 152 Cb 0.00 -0.09 -0.01 0.00 -0.44 0.00 0.00 40.66 40.12 3mle h LEU 152 CO 0.00 0.56 -0.19 0.40 -4.11 0.00 0.00 178.44 175.10 3mle h ILE 153 N 0.30 0.58 -0.46 0.15 2.04 -1.94 0.44 117.51 118.62 3mle h ILE 153 Ca 0.05 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.97 3mle h ILE 153 Cb 0.57 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 3mle h ILE 153 CO 0.04 0.00 0.16 -1.13 0.00 0.00 0.00 178.15 177.22 3mle h ASN 154 N -0.44 0.17 -0.24 1.72 -1.24 -1.96 -0.46 115.58 113.12 3mle h ASN 154 Ca -0.01 0.06 -0.03 0.00 0.71 0.00 0.00 56.30 57.02 3mle h ASN 154 Cb 0.40 0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.48 3mle h ASN 154 CO -0.02 0.13 0.02 0.44 -1.29 0.00 0.00 177.43 176.70 3mle h ASP 155 N 0.33 0.41 -0.17 1.15 3.32 -1.16 -0.38 116.42 119.92 3mle h ASP 155 Ca 0.22 -0.29 0.02 0.00 0.02 0.00 0.00 57.03 57.00 3mle h ASP 155 Cb 0.22 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3mle h ASP 155 CO -0.23 0.60 0.03 0.00 -1.72 0.00 0.00 179.24 177.92 3mle h LEU 157 N 0.10 0.77 -0.46 0.00 3.38 -0.92 0.28 115.31 118.47 3mle h LEU 157 Ca 0.08 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.80 3mle h LEU 157 Cb 0.07 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3mle h LEU 157 CO -0.10 0.98 0.23 -0.07 0.09 0.00 0.00 178.44 179.57 3mle h LEU 158 N 0.66 0.34 -0.48 1.67 3.38 -0.98 0.40 115.31 120.30 3mle h LEU 158 Ca 0.09 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 3mle h LEU 158 Cb 0.74 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3mle h LEU 158 CO 0.06 0.24 -0.36 0.78 0.09 0.00 0.00 178.44 179.24 3mle h ASN 159 N 0.46 0.91 -0.59 -0.43 2.35 -0.99 -2.56 115.58 114.74 3mle h ASN 159 Ca 0.20 -0.40 0.05 0.00 -0.55 0.00 0.00 56.30 55.59 3mle h ASN 159 Cb 0.10 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.16 3mle h ASN 159 CO -0.13 1.18 0.32 -0.78 -1.65 0.00 0.00 177.43 176.36 3mle h ASP 160 N 0.71 0.47 -0.72 5.81 3.58 -0.02 0.47 116.42 126.71 3mle h ASP 160 Ca 0.06 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.55 3mle h ASP 160 Cb 0.94 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.89 3mle h ASP 160 CO 0.09 0.31 0.46 0.15 -2.88 0.00 0.00 179.24 177.37 3mle h PHE 161 N 0.60 0.92 -0.11 0.28 3.57 -0.73 -0.35 116.94 121.11 3mle h PHE 161 Ca 0.26 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 3mle h PHE 161 Cb 0.15 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.58 3mle h PHE 161 CO -0.09 0.59 -0.07 1.25 -2.23 0.00 0.00 178.31 177.77 3mle h LEU 162 N 0.98 0.25 -0.01 0.59 5.85 -1.02 -3.07 115.31 118.88 3mle h LEU 162 Ca 0.26 -0.43 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 3mle h LEU 162 Cb -0.09 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 3mle h LEU 162 CO -0.05 0.63 0.00 -0.07 -0.34 0.00 0.00 178.44 178.61 3mle h LEU 163 N -0.13 0.01 -2.82 2.25 3.38 -0.71 -2.73 115.31 114.56 3mle h LEU 163 Ca 0.02 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3mle h LEU 163 Cb 0.54 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 3mle h LEU 163 CO 0.02 0.17 -0.00 0.07 0.09 0.00 0.00 178.44 178.79 3mle h LYS 164 N -0.15 0.00 0.00 1.13 2.10 -1.17 0.24 116.57 118.71 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 0.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 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 -3.11 0.00 -4.34 7.07 7.64 -1.03 -4.86 113.62 114.99 3mle n SER 165 Ca -0.03 -0.99 -0.22 0.00 1.01 0.00 0.00 58.87 58.65 3mle n SER 165 Cb 0.10 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.18 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 1.83 -1.30 1.43 3.76 0.07 -5.04 115.29 114.04 3mle s HIS 166 Ca 0.45 -0.47 -0.14 0.00 -0.15 0.00 0.00 55.06 54.75 3mle s HIS 166 Cb 0.21 -0.90 0.12 0.00 1.11 0.00 0.00 32.58 33.11 3mle s HIS 166 CO 0.35 0.34 1.76 1.04 -0.85 0.00 0.00 174.74 177.38 3mle n GLN 167 N 0.22 3.28 -3.93 1.40 6.02 -1.26 -4.84 117.38 118.27 3mle n GLN 167 Ca -0.13 -3.39 -0.10 0.00 -0.01 0.00 0.00 57.00 53.37 3mle n GLN 167 Cb 0.57 -3.20 -0.10 0.00 1.02 0.00 0.00 30.24 28.54 3mle n GLN 167 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3mle s LEU 168 N 2.13 1.87 -0.17 1.08 0.20 -1.26 -5.06 118.68 117.47 3mle s LEU 168 Ca 0.46 -0.45 -0.05 0.00 0.69 0.00 0.00 54.13 54.78 3mle s LEU 168 Cb 0.05 0.48 -0.03 0.00 -0.43 0.00 0.00 46.19 46.26 3mle s LEU 168 CO 0.01 -0.42 -0.00 -0.62 -0.29 0.00 0.00 176.35 175.03 3mle s ASP 169 N -1.79 5.08 0.09 3.68 2.15 -1.26 -4.94 116.67 119.69 3mle s ASP 169 Ca -0.10 -0.06 -0.10 0.00 0.43 0.00 0.00 52.55 52.72 3mle s ASP 169 Cb -0.05 -1.85 0.00 0.00 -0.30 0.00 0.00 42.92 40.73 3mle s ASP 169 CO -0.02 0.17 0.22 -0.72 -0.17 0.00 0.00 175.17 174.65 3mle s TYR 170 N 0.40 0.09 0.00 -5.34 -0.85 -1.26 -1.09 117.35 109.30 3mle s TYR 170 Ca -0.01 -0.50 0.02 0.00 -0.52 0.00 0.00 57.07 56.05 3mle s TYR 170 Cb -0.14 -0.01 -0.01 0.00 0.38 0.00 0.00 41.96 42.19 3mle s TYR 170 CO 0.02 -0.57 -0.07 0.15 -1.52 0.00 0.00 175.55 173.56 3mle s LYS 171 N -3.84 0.52 -0.22 -3.49 -0.14 -0.26 -4.97 119.74 107.35 3mle s LYS 171 Ca 0.04 -0.33 -0.08 0.00 -1.36 0.00 0.00 55.97 54.25 3mle s LYS 171 Cb 0.04 -0.47 -0.04 0.00 -1.68 0.00 0.00 37.83 35.68 3mle s LYS 171 CO -0.11 0.12 0.08 0.42 -0.76 0.00 0.00 175.35 175.10 3mle s ILE 172 N -0.36 4.63 -0.06 2.17 1.01 -1.26 -1.13 121.20 126.20 3mle s ILE 172 Ca 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 60.65 60.63 3mle s ILE 172 Cb -0.04 -3.13 -0.01 0.00 0.01 0.00 0.00 42.46 39.30 3mle s ILE 172 CO -0.00 0.39 -0.22 0.00 0.00 0.00 0.00 174.94 175.11 3mle s ALA 173 N 0.98 1.95 -0.05 9.38 0.00 -0.51 -2.02 121.76 131.50 3mle s ALA 173 Ca 0.04 -0.92 -0.26 0.00 0.00 0.00 0.00 51.96 50.82 3mle s ALA 173 Cb -0.14 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 3mle s ALA 173 CO 0.03 0.36 0.83 0.42 0.00 0.00 0.00 175.76 177.40 3mle s ILE 174 N -0.06 4.96 -0.94 0.00 1.01 -0.18 -0.32 121.20 125.66 3mle s ILE 174 Ca -0.05 1.73 -0.21 0.00 0.00 0.00 0.00 60.65 62.12 3mle s ILE 174 Cb -0.13 -4.17 0.09 0.00 0.01 0.00 0.00 42.46 38.25 3mle s ILE 174 CO 0.04 0.19 1.27 0.21 0.00 0.00 0.00 174.94 176.65 3mle s ASN 175 N 0.92 6.51 -0.32 3.58 2.47 0.32 -0.08 114.94 128.35 3mle s ASN 175 Ca 0.44 -1.62 -0.20 0.00 0.42 0.00 0.00 52.86 51.90 3mle s ASN 175 Cb -0.19 -2.48 -0.01 0.00 -1.45 0.00 0.00 41.25 37.12 3mle s ASN 175 CO 0.22 -1.33 0.60 -0.22 -3.72 0.00 0.00 177.10 172.65 3mle s LEU 176 N 3.96 4.20 0.35 3.21 2.96 -1.26 -3.90 118.68 128.20 3mle s LEU 176 Ca 0.38 0.28 -0.26 0.00 -0.22 0.00 0.00 54.13 54.31 3mle s LEU 176 Cb -0.04 -2.76 -0.09 0.00 0.50 0.00 0.00 46.19 43.81 3mle s LEU 176 CO -0.07 -0.49 1.07 -0.54 -1.32 0.00 0.00 176.35 174.99 3mle s LYS 177 N 2.58 4.34 0.30 1.98 1.02 -1.26 -4.89 119.74 123.80 3mle s LYS 177 Ca 0.24 1.62 0.02 0.00 0.02 0.00 0.00 55.97 57.87 3mle s LYS 177 Cb -0.15 -2.79 0.46 0.00 -0.52 0.00 0.00 37.83 34.83 3mle s LYS 177 CO 0.13 -0.01 1.78 0.78 -0.92 0.00 0.00 175.35 177.11 3mle h GLY 178 N 2.99 0.61 0.98 -3.33 0.00 -2.05 -1.70 103.07 100.57 3mle h GLY 178 Ca -0.48 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.43 3mle h GLY 178 CO 0.64 0.39 -0.10 0.70 0.00 0.00 0.00 176.54 178.17 3mle n ASN 179 N -4.20 0.42 -4.52 0.19 3.02 -1.26 -4.65 115.26 104.26 3mle n ASN 179 Ca 0.01 -0.52 -0.42 0.00 -0.03 0.00 0.00 54.58 53.62 3mle n ASN 179 Cb 0.33 -0.09 -0.03 0.00 -0.61 0.00 0.00 39.78 39.37 3mle n ASN 179 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3mle s ASN 180 N -2.49 6.48 0.18 6.41 3.84 -0.64 -4.80 114.94 123.91 3mle s ASN 180 Ca 0.29 -1.51 -0.00 0.00 0.21 0.00 0.00 52.86 51.85 3mle s ASN 180 Cb 0.20 -2.50 0.05 0.00 -0.55 0.00 0.00 41.25 38.45 3mle s ASN 180 CO 0.48 -1.39 1.42 0.00 -2.79 0.00 0.00 177.10 174.81 3mle h THR 181 N 6.36 1.41 -0.59 -5.21 1.03 -1.86 -3.36 112.91 110.69 3mle h THR 181 Ca 0.10 -2.26 -0.09 0.00 -0.01 0.00 0.00 66.41 64.15 3mle h THR 181 Cb 1.02 2.21 -0.02 0.00 -1.07 0.00 0.00 68.15 70.29 3mle h THR 181 CO 1.29 0.67 0.02 0.00 -0.01 0.00 0.00 175.52 177.49 3mle h ALA 182 N 0.96 0.91 -0.96 0.00 0.00 -1.98 -3.34 119.26 114.85 3mle h ALA 182 Ca -0.04 -0.30 0.26 0.00 0.00 0.00 0.00 54.91 54.84 3mle h ALA 182 Cb 1.36 -0.22 -0.18 0.00 0.00 0.00 0.00 17.79 18.74 3mle h ALA 182 CO 0.13 0.65 0.03 0.34 0.00 0.00 0.00 179.25 180.39 3mle n PHE 183 N -4.19 0.62 0.11 0.00 7.35 -1.26 -1.51 117.46 118.57 3mle n PHE 183 Ca 0.03 1.15 0.05 0.00 -0.76 0.00 0.00 57.45 57.92 3mle n PHE 183 Cb 0.33 -1.22 0.48 0.00 0.35 0.00 0.00 39.48 39.42 3mle n PHE 183 CO 0.00 0.00 0.00 1.12 -0.76 0.00 0.00 176.76 177.12 3mle h HIS 184 N 0.00 0.29 0.00 -5.13 2.07 -1.83 -1.51 115.15 109.04 3mle h HIS 184 Ca 0.58 -0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 58.04 3mle h HIS 184 Cb 1.21 -0.10 -0.01 0.00 2.57 0.00 0.00 27.41 31.08 3mle h HIS 184 CO -0.48 0.24 -1.99 -1.13 -3.07 0.00 0.00 177.93 171.50 3mle n SER 185 N -4.44 0.07 -0.06 3.10 3.41 -0.67 -4.24 113.62 110.79 3mle n SER 185 Ca 0.00 0.03 -0.22 0.00 -0.26 0.00 0.00 58.87 58.42 3mle n SER 185 Cb 0.12 1.71 -0.13 0.00 -0.26 0.00 0.00 64.21 65.65 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 -2.38 1.64 -0.03 -1.33 5.41 -0.57 -4.78 119.36 117.32 3mle n ILE 186 Ca -0.08 -0.45 -0.05 0.00 1.00 0.00 0.00 62.75 63.17 3mle n ILE 186 Cb 0.67 -1.78 -0.02 0.00 -0.71 0.00 0.00 39.64 37.80 3mle n ILE 186 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 3mle n SER 187 N -3.77 2.35 -0.33 4.38 7.64 -0.66 -4.79 113.62 118.44 3mle n SER 187 Ca -0.37 0.01 0.13 0.00 1.01 0.00 0.00 58.87 59.65 3mle n SER 187 Cb 0.93 -0.12 0.32 0.00 -1.01 0.00 0.00 64.21 64.33 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 -0.08 0.59 -0.28 -3.43 5.85 -1.50 -2.27 115.31 114.19 3mle h LEU 188 Ca -0.13 0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.77 3mle h LEU 188 Cb 1.17 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.17 3mle h LEU 188 CO -0.05 0.14 -0.14 -0.65 -0.34 0.00 0.00 178.44 177.41 3mle h PRO 189 N 0.59 -0.10 -0.89 5.25 0.11 -1.85 0.24 132.00 135.35 3mle h PRO 189 Ca 0.57 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.68 3mle h PRO 189 Cb 0.99 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 3mle h PRO 189 CO -0.45 -0.06 0.52 -0.92 -0.21 0.00 0.00 178.00 176.88 3mle h TYR 190 N -0.10 1.20 -0.40 0.65 3.20 -1.74 -1.71 116.97 118.06 3mle h TYR 190 Ca 0.15 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.04 3mle h TYR 190 Cb 0.32 -0.39 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 3mle h TYR 190 CO -0.33 0.81 0.18 0.82 -1.64 0.00 0.00 178.16 178.00 3mle h ILE 191 N 1.24 0.94 -0.27 1.81 1.08 -1.17 0.61 117.51 121.73 3mle h ILE 191 Ca 0.32 -0.13 0.04 0.00 -0.39 0.00 0.00 64.86 64.70 3mle h ILE 191 Cb -0.01 0.54 -0.04 0.00 -3.07 0.00 0.00 36.82 34.24 3mle h ILE 191 CO -0.06 0.07 0.04 -0.33 -0.69 0.00 0.00 178.15 177.18 3mle h GLU 192 N 0.37 0.13 0.09 2.37 5.08 -0.57 0.15 114.58 122.20 3mle h GLU 192 Ca 0.18 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3mle h GLU 192 Cb 0.11 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3mle h GLU 192 CO -0.15 0.09 -0.06 1.25 -1.00 0.00 0.00 179.01 179.14 3mle h LEU 193 N 0.13 -0.14 -0.75 1.33 6.46 -0.79 -1.91 115.31 119.65 3mle h LEU 193 Ca 0.13 0.01 0.16 0.00 -0.12 0.00 0.00 57.88 58.06 3mle h LEU 193 Cb 0.14 0.04 -0.11 0.00 -0.73 0.00 0.00 40.66 40.01 3mle h LEU 193 CO -0.18 -0.10 0.22 0.15 -0.62 0.00 0.00 178.44 177.91 3mle h PHE 194 N -0.15 0.36 -0.18 1.25 3.57 0.52 -2.42 116.94 119.90 3mle h PHE 194 Ca -0.01 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 3mle h PHE 194 Cb 0.13 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3mle h PHE 194 CO -0.08 -0.05 -0.20 -0.91 -2.23 0.00 0.00 178.31 174.84 3mle h ASN 195 N 0.32 0.29 0.15 0.41 2.35 -0.36 -2.20 115.58 116.54 3mle h ASN 195 Ca 0.42 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 56.08 3mle h ASN 195 Cb 0.71 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 39.00 3mle h ASN 195 CO -0.48 0.51 -0.07 0.71 -1.65 0.00 0.00 177.43 176.45 3mle h THR 196 N 0.28 0.68 -0.05 2.81 1.35 -0.84 -3.05 112.91 114.08 3mle h THR 196 Ca 0.05 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 3mle h THR 196 Cb 0.51 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 3mle h THR 196 CO 0.03 0.07 0.00 -2.11 -0.25 0.00 0.00 175.52 173.26 3mle n ARG 197 N -3.91 0.75 -4.86 4.72 1.85 -0.88 -5.00 116.66 109.32 3mle n ARG 197 Ca -0.03 -1.23 -0.33 0.00 -1.00 0.00 0.00 57.85 55.27 3mle n ARG 197 Cb 0.16 -1.20 -0.13 0.00 -1.05 0.00 0.00 32.46 30.24 3mle n ARG 197 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3mle s SER 198 N -0.88 4.07 0.00 2.89 0.15 -0.88 -4.99 113.70 114.06 3mle s SER 198 Ca 0.13 -0.19 0.30 0.00 0.70 0.00 0.00 55.95 56.89 3mle s SER 198 Cb 0.09 -0.93 1.50 0.00 -1.71 0.00 0.00 66.02 64.96 3mle s SER 198 CO 0.13 0.33 2.03 -0.46 1.20 0.00 0.00 173.24 176.47 3mle n ASN 199 N 2.40 0.13 -3.49 5.45 0.23 -1.26 -4.24 115.26 114.48 3mle n ASN 199 Ca -0.17 -0.39 -0.27 0.00 -0.53 0.00 0.00 54.58 53.22 3mle n ASN 199 Cb 0.52 -0.19 -0.09 0.00 -2.08 0.00 0.00 39.78 37.95 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 -1.15 2.81 -4.75 0.53 2.85 -1.26 -5.11 115.26 109.19 3mle n ASN 200 Ca 0.16 -3.22 -0.38 0.00 -0.11 0.00 0.00 54.58 51.03 3mle n ASN 200 Cb 0.23 -0.68 0.04 0.00 1.24 0.00 0.00 39.78 40.62 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 -1.91 3.07 -0.13 1.20 0.04 -1.26 -4.87 135.00 131.14 3mle s PRO 201 Ca 0.35 2.22 -0.26 0.00 0.04 0.00 0.00 61.00 63.35 3mle s PRO 201 Cb 0.10 -2.21 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 3mle s PRO 201 CO -0.07 -1.24 0.82 0.42 0.04 0.00 0.00 177.00 176.97 3mle s ILE 202 N -1.31 4.91 0.37 0.56 1.01 -1.26 -4.57 121.20 120.92 3mle s ILE 202 Ca 0.73 1.65 0.08 0.00 0.00 0.00 0.00 60.65 63.10 3mle s ILE 202 Cb -0.40 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 37.91 3mle s ILE 202 CO 0.47 0.09 0.37 0.68 0.00 0.00 0.00 174.94 176.55 3mle s VAL 203 N 1.72 3.20 -0.34 2.92 -7.23 -0.86 -4.98 120.40 114.83 3mle s VAL 203 Ca 0.40 -1.29 -0.15 0.00 -1.81 0.00 0.00 61.98 59.14 3mle s VAL 203 Cb -0.17 -3.12 -0.01 0.00 0.56 0.00 0.00 36.38 33.64 3mle s VAL 203 CO 0.16 -0.09 0.33 -0.63 -0.31 0.00 0.00 175.10 174.55 3mle s ILE 204 N -2.36 5.20 0.17 -0.62 1.01 -1.26 -1.02 121.20 122.33 3mle s ILE 204 Ca 0.45 -0.02 -0.23 0.00 0.00 0.00 0.00 60.65 60.86 3mle s ILE 204 Cb -0.06 -3.79 0.08 0.00 0.01 0.00 0.00 42.46 38.70 3mle s ILE 204 CO 0.28 -0.07 1.59 0.15 0.00 0.00 0.00 174.94 176.89 3mle h PHE 205 N 8.47 -0.98 0.00 3.97 3.57 -0.78 -0.65 116.94 130.54 3mle h PHE 205 Ca -0.30 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.27 3mle h PHE 205 Cb 1.15 0.50 0.00 0.00 2.79 0.00 0.00 35.95 40.39 3mle h PHE 205 CO 0.68 -0.39 0.05 1.96 -2.23 0.00 0.00 178.31 178.38 3mle h GLN 206 N -0.21 0.00 -0.26 1.11 7.50 -1.90 0.10 115.11 121.44 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 0.55 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.08 3mle h GLN 206 CO -0.62 0.00 0.00 1.04 -1.50 0.00 0.00 178.83 177.75 3mle n GLN 207 N -2.97 2.38 -0.31 1.46 6.02 -0.27 -4.60 117.38 119.09 3mle n GLN 207 Ca -0.03 -2.14 0.05 0.00 -0.01 0.00 0.00 57.00 54.88 3mle n GLN 207 Cb 0.11 -1.48 0.08 0.00 1.02 0.00 0.00 30.24 29.97 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 1.40 1.27 -0.09 1.08 7.64 0.02 -4.84 113.62 120.11 3mle n SER 208 Ca 0.17 -2.61 -0.08 0.00 1.01 0.00 0.00 58.87 57.36 3mle n SER 208 Cb 0.59 -0.33 -0.00 0.00 -1.01 0.00 0.00 64.21 63.46 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 0.06 0.23 -0.07 -3.43 3.38 -1.81 0.38 115.31 114.05 3mle h LEU 209 Ca -0.01 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3mle h LEU 209 Cb 1.20 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 3mle h LEU 209 CO 0.00 0.17 0.03 0.50 0.09 0.00 0.00 178.44 179.23 3mle h LYS 210 N 0.32 0.10 -0.80 1.13 3.64 -1.94 -0.59 116.57 118.42 3mle h LYS 210 Ca 0.13 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.55 3mle h LYS 210 Cb 0.04 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.79 3mle h LYS 210 CO -0.09 0.19 0.49 0.28 -2.27 0.00 0.00 179.45 178.05 3mle h VAL 211 N -0.02 1.04 -0.01 2.00 2.07 -1.79 -1.94 116.25 117.61 3mle h VAL 211 Ca 0.02 -0.31 -0.18 0.00 0.82 0.00 0.00 66.70 67.05 3mle h VAL 211 Cb 0.13 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 3mle h VAL 211 CO -0.00 0.17 -0.81 -0.07 0.02 0.00 0.00 177.57 176.87 3mle h LEU 212 N 0.91 0.20 -0.29 2.57 3.38 -0.11 -2.18 115.31 119.79 3mle h LEU 212 Ca 0.34 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3mle h LEU 212 Cb 0.14 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3mle h LEU 212 CO -0.16 0.93 0.13 -0.03 0.09 0.00 0.00 178.44 179.40 3mle h MET 213 N 0.10 0.42 -0.01 1.13 4.05 -0.76 -0.61 114.93 119.25 3mle h MET 213 Ca -0.03 -0.07 0.03 0.00 -0.28 0.00 0.00 59.70 59.35 3mle h MET 213 Cb 1.42 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 32.11 3mle h MET 213 CO 0.12 0.42 -0.19 0.77 0.23 0.00 0.00 176.91 178.25 3mle h SER 214 N 0.33 -0.57 -0.44 1.39 0.02 -1.31 -0.99 113.55 111.98 3mle h SER 214 Ca 0.10 0.08 0.09 0.00 -0.84 0.00 0.00 61.79 61.22 3mle h SER 214 Cb 0.14 0.24 -0.08 0.00 0.14 0.00 0.00 62.40 62.84 3mle h SER 214 CO -0.01 -0.26 -0.05 0.15 -1.14 0.00 0.00 176.83 175.52 3mle h PHE 215 N -0.31 -0.12 -0.96 3.45 3.57 -1.31 1.00 116.94 122.26 3mle h PHE 215 Ca 0.06 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.62 3mle h PHE 215 Cb 0.39 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.20 3mle h PHE 215 CO -0.24 -0.14 0.63 0.00 -2.23 0.00 0.00 178.31 176.33 3mle h ALA 216 N 1.41 1.36 0.00 2.41 0.00 -0.75 -2.93 119.26 120.77 3mle h ALA 216 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3mle h ALA 216 Cb 0.33 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3mle h ALA 216 CO -0.41 0.56 -1.08 1.28 0.00 0.00 0.00 179.25 179.60 3mle n LEU 217 N -4.43 0.77 -4.46 0.00 4.77 -0.41 -4.67 117.00 108.57 3mle n LEU 217 Ca 0.12 0.29 -0.35 0.00 -0.03 0.00 0.00 56.01 56.04 3mle n LEU 217 Cb 0.08 -0.06 0.08 0.00 -2.33 0.00 0.00 43.42 41.19 3mle n LEU 217 CO 0.35 -0.16 0.04 0.29 -1.33 0.00 0.00 177.39 176.58 3mle n LYS 218 N -2.61 0.19 0.00 3.23 4.76 0.34 -5.02 118.16 119.04 3mle n LYS 218 Ca -0.00 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 3mle n LYS 218 Cb 0.55 -1.84 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 3mle n LYS 218 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44