#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hij n ILE 2 N 0.00 1.96 -4.08 1.12 3.06 -1.26 -5.01 119.36 115.15 3hij n ILE 2 Ca 0.00 -0.49 -0.33 0.00 -2.50 0.00 0.00 62.75 59.43 3hij n ILE 2 Cb 0.00 -1.91 -0.15 0.00 0.54 0.00 0.00 39.64 38.11 3hij n ILE 2 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3hij s ASP 3 N -0.13 3.92 0.00 9.51 -1.08 -1.26 -4.96 116.67 122.67 3hij s ASP 3 Ca 0.54 -1.06 0.27 0.00 -0.52 0.00 0.00 52.55 51.78 3hij s ASP 3 Cb -0.49 -1.53 0.91 0.00 -1.46 0.00 0.00 42.92 40.35 3hij s ASP 3 CO 0.63 -0.11 1.67 0.49 0.52 0.00 0.00 175.17 178.37 3hij n PHE 4 N 4.53 0.00 -4.14 -5.34 3.72 -1.26 -4.78 117.46 110.19 3hij n PHE 4 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 3hij n PHE 4 Cb 0.46 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 3hij n PHE 4 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hij n GLY 5 N 1.33 -1.59 0.07 1.37 0.00 -1.26 -3.42 105.19 101.69 3hij n GLY 5 Ca 0.12 -1.31 0.05 0.00 0.00 0.00 0.00 46.02 44.88 3hij n GLY 5 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hij n THR 6 N -0.16 0.70 -3.78 2.61 -2.24 -1.26 -4.72 114.28 105.43 3hij n THR 6 Ca 0.00 -0.62 -0.30 0.00 -2.27 0.00 0.00 64.05 60.86 3hij n THR 6 Cb 0.00 -0.37 -0.15 0.00 -2.10 0.00 0.00 70.33 67.71 3hij n THR 6 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3hij s ILE 7 N -3.16 1.23 0.01 2.28 1.01 -1.26 -0.99 121.20 120.32 3hij s ILE 7 Ca -0.05 -1.79 -0.22 0.00 0.00 0.00 0.00 60.65 58.59 3hij s ILE 7 Cb 0.10 -1.91 -0.05 0.00 0.01 0.00 0.00 42.46 40.61 3hij s ILE 7 CO 0.84 -0.70 0.65 0.00 0.00 0.00 0.00 174.94 175.73 3hij s ALA 8 N 1.25 3.44 -0.19 9.38 0.00 -0.38 0.52 121.76 135.78 3hij s ALA 8 Ca 0.11 0.11 -0.05 0.00 0.00 0.00 0.00 51.96 52.14 3hij s ALA 8 Cb -0.19 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 3hij s ALA 8 CO -0.17 0.11 0.00 0.99 0.00 0.00 0.00 175.76 176.69 3hij s THR 9 N -0.07 4.10 -0.90 0.00 2.01 -0.00 0.27 115.64 121.05 3hij s THR 9 Ca 0.34 -0.27 -0.24 0.00 0.31 0.00 0.00 61.69 61.83 3hij s THR 9 Cb -0.19 -2.84 0.05 0.00 0.01 0.00 0.00 72.50 69.54 3hij s THR 9 CO 0.19 0.45 1.33 0.00 -0.69 0.00 0.00 174.62 175.89 3hij s ALA 10 N 0.72 2.83 0.32 7.40 0.00 -0.06 -0.92 121.76 132.05 3hij s ALA 10 Ca 0.00 -2.02 -0.29 0.00 0.00 0.00 0.00 51.96 49.66 3hij s ALA 10 Cb -0.14 -4.34 -0.10 0.00 0.00 0.00 0.00 23.12 18.53 3hij s ALA 10 CO 0.02 -3.38 1.27 0.00 0.00 0.00 0.00 175.76 173.67 3hij s MET 11 N 4.88 4.40 0.70 0.00 0.23 -0.38 -4.61 119.30 124.53 3hij s MET 11 Ca 0.39 2.15 -0.15 0.00 -1.03 0.00 0.00 55.69 57.05 3hij s MET 11 Cb -0.04 -3.09 0.02 0.00 -1.53 0.00 0.00 34.83 30.19 3hij s MET 11 CO -0.01 -0.13 1.16 0.14 -2.03 0.00 0.00 175.02 174.16 3hij s VAL 12 N -1.12 2.71 -0.46 5.16 -7.23 -1.26 -2.89 120.40 115.31 3hij s VAL 12 Ca 0.48 0.34 -0.14 0.00 -1.81 0.00 0.00 61.98 60.86 3hij s VAL 12 Cb -0.38 -2.88 0.08 0.00 0.56 0.00 0.00 36.38 33.75 3hij s VAL 12 CO 0.51 -0.19 0.37 -0.89 -0.31 0.00 0.00 175.10 174.58 3hij s THR 13 N -2.13 4.98 0.27 5.32 2.01 -1.26 -4.86 115.64 119.97 3hij s THR 13 Ca 0.71 -1.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.25 3hij s THR 13 Cb -0.25 -4.00 -0.11 0.00 0.01 0.00 0.00 72.50 68.15 3hij s THR 13 CO 0.43 -0.57 1.50 -2.84 -0.69 0.00 0.00 174.62 172.45 3hij s PRO 14 N 1.59 4.21 0.12 4.92 0.02 -1.26 -4.95 135.00 139.64 3hij s PRO 14 Ca 0.04 2.42 0.10 0.00 0.02 0.00 0.00 61.00 63.57 3hij s PRO 14 Cb -0.24 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 31.17 3hij s PRO 14 CO 0.05 -0.50 -0.24 -0.06 -0.33 0.00 0.00 177.00 175.92 3hij s PHE 15 N -0.08 2.38 0.50 6.54 2.99 0.72 -0.83 117.98 130.20 3hij s PHE 15 Ca 0.60 -0.34 -0.05 0.00 0.00 0.00 0.00 56.93 57.13 3hij s PHE 15 Cb -0.44 -1.29 0.11 0.00 0.00 0.00 0.00 43.02 41.39 3hij s PHE 15 CO 0.46 0.34 0.68 -0.40 -0.00 0.00 0.00 175.22 176.30 3hij n ASP 16 N 0.95 0.38 -0.04 1.36 5.68 0.23 -3.71 116.55 121.41 3hij n ASP 16 Ca -0.17 -1.45 0.23 0.00 -0.50 0.00 0.00 54.79 52.90 3hij n ASP 16 Cb 0.53 -0.49 0.71 0.00 -1.14 0.00 0.00 41.12 40.73 3hij n ASP 16 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3hij h ILE 17 N -1.03 0.59 -0.10 2.12 6.09 -2.00 0.18 117.51 123.37 3hij h ILE 17 Ca -0.22 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.27 3hij h ILE 17 Cb 0.70 0.65 0.00 0.00 0.47 0.00 0.00 36.82 38.64 3hij h ILE 17 CO 0.19 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.86 3hij n ASN 18 N -4.20 1.87 0.00 2.19 5.03 -1.26 -4.93 115.26 113.96 3hij n ASN 18 Ca 0.12 -1.67 0.00 0.00 0.87 0.00 0.00 54.58 53.91 3hij n ASN 18 Cb 0.73 -0.06 0.00 0.00 -1.02 0.00 0.00 39.78 39.44 3hij n ASN 18 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hij n GLY 19 N 1.20 0.73 3.87 7.41 0.00 0.63 -5.04 105.19 114.00 3hij n GLY 19 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3hij n GLY 19 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hij s ASN 20 N -2.42 6.49 -0.04 1.61 -0.87 -1.26 -4.68 114.94 113.77 3hij s ASN 20 Ca 0.00 1.25 -0.36 0.00 -1.57 0.00 0.00 52.86 52.19 3hij s ASN 20 Cb 0.00 -2.38 -0.14 0.00 -0.02 0.00 0.00 41.25 38.72 3hij s ASN 20 CO 0.00 -0.51 1.70 -0.38 -2.57 0.00 0.00 177.10 175.34 3hij n ILE 21 N -1.61 0.30 -3.17 0.60 5.41 -1.26 0.78 119.36 120.40 3hij n ILE 21 Ca 0.04 -0.05 -0.46 0.00 1.00 0.00 0.00 62.75 63.28 3hij n ILE 21 Cb 0.54 -1.52 -0.03 0.00 -0.71 0.00 0.00 39.64 37.92 3hij n ILE 21 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3hij s ASP 22 N 2.67 6.55 0.26 4.38 -1.08 -0.01 -4.69 116.67 124.75 3hij s ASP 22 Ca 0.89 -2.17 -0.04 0.00 -0.52 0.00 0.00 52.55 50.71 3hij s ASP 22 Cb -0.80 -2.28 0.31 0.00 -1.46 0.00 0.00 42.92 38.70 3hij s ASP 22 CO 0.50 -0.84 1.82 -0.26 0.52 0.00 0.00 175.17 176.91 3hij h PHE 23 N 8.46 1.01 -0.52 -5.34 -1.00 -1.91 -0.54 116.94 117.10 3hij h PHE 23 Ca -0.00 -0.07 -0.10 0.00 2.81 0.00 0.00 57.97 60.60 3hij h PHE 23 Cb 1.05 -0.30 -0.02 0.00 3.61 0.00 0.00 35.95 40.29 3hij h PHE 23 CO 1.00 0.79 -0.08 0.00 -1.61 0.00 0.00 178.31 178.41 3hij h ALA 24 N 1.29 0.71 -0.04 2.45 0.00 -1.99 -1.35 119.26 120.34 3hij h ALA 24 Ca 0.22 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 3hij h ALA 24 Cb 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3hij h ALA 24 CO -0.02 0.60 -0.35 -0.22 0.00 0.00 0.00 179.25 179.26 3hij h LYS 25 N 0.84 0.08 -0.05 0.00 1.63 -1.89 -2.52 116.57 114.66 3hij h LYS 25 Ca 0.14 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.91 3hij h LYS 25 Cb 0.63 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.25 3hij h LYS 25 CO 0.04 0.43 0.03 1.15 -3.45 0.00 0.00 179.45 177.65 3hij h THR 26 N 0.07 1.10 -0.54 1.00 2.02 -0.44 0.22 112.91 116.34 3hij h THR 26 Ca 0.01 -0.28 0.11 0.00 0.77 0.00 0.00 66.41 67.02 3hij h THR 26 Cb 0.66 1.19 -0.10 0.00 -1.74 0.00 0.00 68.15 68.16 3hij h THR 26 CO 0.05 0.08 -0.11 0.74 0.37 0.00 0.00 175.52 176.65 3hij h THR 27 N -0.02 0.47 -0.69 3.16 2.02 -1.17 0.15 112.91 116.82 3hij h THR 27 Ca 0.02 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 3hij h THR 27 Cb 0.11 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 3hij h THR 27 CO -0.00 0.00 0.32 0.50 0.37 0.00 0.00 175.52 176.71 3hij h LYS 28 N 0.02 1.00 -0.38 6.66 3.64 -1.04 -2.50 116.57 123.97 3hij h LYS 28 Ca 0.26 -0.15 -0.13 0.00 -1.27 0.00 0.00 60.65 59.36 3hij h LYS 28 Cb 0.41 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3hij h LYS 28 CO -0.54 0.80 -0.27 1.25 -2.27 0.00 0.00 179.45 178.42 3hij h LEU 29 N 0.96 0.90 -0.67 5.20 5.85 -0.29 -1.10 115.31 126.17 3hij h LEU 29 Ca 0.24 -0.43 0.06 0.00 0.84 0.00 0.00 57.88 58.58 3hij h LEU 29 Cb 0.13 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 3hij h LEU 29 CO -0.03 1.14 0.37 0.58 -0.34 0.00 0.00 178.44 180.16 3hij h VAL 30 N 0.66 0.96 -0.23 1.05 2.07 -0.56 -0.60 116.25 119.62 3hij h VAL 30 Ca 0.08 -0.23 -0.20 0.00 0.82 0.00 0.00 66.70 67.16 3hij h VAL 30 Cb 0.84 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3hij h VAL 30 CO 0.07 0.12 -0.62 0.78 0.02 0.00 0.00 177.57 177.95 3hij h ASN 31 N 0.68 0.94 -0.64 0.57 2.35 -1.38 -2.09 115.58 116.01 3hij h ASN 31 Ca 0.30 -0.57 0.05 0.00 -0.55 0.00 0.00 56.30 55.52 3hij h ASN 31 Cb 0.19 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.24 3hij h ASN 31 CO -0.18 1.35 0.37 0.22 -1.65 0.00 0.00 177.43 177.53 3hij h TYR 32 N 0.58 0.68 -0.15 1.19 3.20 -0.92 -1.30 116.97 120.24 3hij h TYR 32 Ca -0.01 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 3hij h TYR 32 Cb 1.24 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 3hij h TYR 32 CO 0.08 0.35 0.03 -0.07 -1.64 0.00 0.00 178.16 176.91 3hij h LEU 33 N 0.70 0.23 -1.60 2.82 3.38 -1.01 -2.14 115.31 117.69 3hij h LEU 33 Ca 0.28 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3hij h LEU 33 Cb 0.13 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3hij h LEU 33 CO -0.15 0.41 0.33 0.40 0.09 0.00 0.00 178.44 179.52 3hij h ILE 34 N 0.04 1.02 0.00 1.22 2.04 -1.25 -0.20 117.51 120.38 3hij h ILE 34 Ca 0.05 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3hij h ILE 34 Cb 0.27 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3hij h ILE 34 CO 0.00 0.09 0.00 0.47 0.00 0.00 0.00 178.15 178.71 3hij n ASP 35 N -4.47 0.00 -2.55 1.72 8.00 -0.50 -4.17 116.55 114.58 3hij n ASP 35 Ca 0.06 -0.11 -0.13 0.00 0.71 0.00 0.00 54.79 55.32 3hij n ASP 35 Cb 0.19 -0.28 0.03 0.00 -0.02 0.00 0.00 41.12 41.04 3hij n ASP 35 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3hij n ASN 36 N -1.28 2.85 0.00 -2.24 3.02 -0.14 -4.97 115.26 112.50 3hij n ASN 36 Ca 0.13 -2.92 0.00 0.00 -0.03 0.00 0.00 54.58 51.76 3hij n ASN 36 Cb 0.20 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 3hij n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hij n GLY 37 N -0.44 0.82 3.70 7.41 0.00 -1.21 -3.29 105.19 112.18 3hij n GLY 37 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3hij n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hij s THR 38 N -2.92 3.72 -0.52 2.61 2.01 -0.91 -4.61 115.64 115.02 3hij s THR 38 Ca 0.00 1.17 0.10 0.00 0.31 0.00 0.00 61.69 63.27 3hij s THR 38 Cb 0.00 -3.75 -0.10 0.00 0.01 0.00 0.00 72.50 68.66 3hij s THR 38 CO 0.00 0.04 0.45 0.35 -0.69 0.00 0.00 174.62 174.77 3hij n THR 39 N 4.35 0.00 -3.55 -0.82 -2.24 0.18 -4.56 114.28 107.64 3hij n THR 39 Ca 0.12 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.49 3hij n THR 39 Cb 0.44 1.01 -0.04 0.00 -2.10 0.00 0.00 70.33 69.64 3hij n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hij s ALA 40 N -1.88 -1.34 -0.13 6.98 0.00 -1.09 -4.21 121.76 120.08 3hij s ALA 40 Ca 0.04 0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.53 3hij s ALA 40 Cb 0.08 0.53 0.01 0.00 0.00 0.00 0.00 23.12 23.73 3hij s ALA 40 CO 0.39 -0.58 -0.20 0.42 0.00 0.00 0.00 175.76 175.79 3hij s ILE 41 N -2.89 1.90 -0.29 0.00 1.01 -0.52 -0.82 121.20 119.59 3hij s ILE 41 Ca -0.03 -0.89 -0.14 0.00 0.00 0.00 0.00 60.65 59.59 3hij s ILE 41 Cb -0.00 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 3hij s ILE 41 CO -0.05 0.52 0.33 -0.69 0.00 0.00 0.00 174.94 175.05 3hij s VAL 42 N 0.84 5.20 -0.15 2.92 1.01 -0.09 0.50 120.40 130.63 3hij s VAL 42 Ca -0.07 0.35 -0.05 0.00 0.00 0.00 0.00 61.98 62.20 3hij s VAL 42 Cb -0.15 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3hij s VAL 42 CO -0.01 0.11 0.03 -0.69 0.00 0.00 0.00 175.10 174.54 3hij s VAL 43 N 1.99 4.52 -0.93 2.92 1.01 0.15 -1.25 120.40 128.82 3hij s VAL 43 Ca 0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 3hij s VAL 43 Cb -0.16 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.23 3hij s VAL 43 CO 0.11 0.51 0.50 0.61 0.00 0.00 0.00 175.10 176.83 3hij n GLY 44 N 3.12 -0.04 0.00 4.51 0.00 -1.26 -0.01 105.19 111.51 3hij n GLY 44 Ca -0.17 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3hij n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hij n GLY 45 N -1.31 -0.54 0.28 -0.02 0.00 -1.26 -3.83 105.19 98.52 3hij n GLY 45 Ca -0.04 -1.76 0.05 0.00 0.00 0.00 0.00 46.02 44.27 3hij n GLY 45 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hij h THR 46 N -0.79 0.70 0.00 2.61 2.02 -1.95 -0.83 112.91 114.67 3hij h THR 46 Ca 0.00 -0.17 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 3hij h THR 46 Cb 0.00 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.56 3hij h THR 46 CO 0.00 0.09 -0.24 0.74 0.37 0.00 0.00 175.52 176.48 3hij h THR 47 N 0.50 0.60 -0.15 3.16 2.02 -1.86 -1.00 112.91 116.18 3hij h THR 47 Ca 0.41 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.43 3hij h THR 47 Cb 0.58 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 3hij h THR 47 CO -0.37 0.24 0.00 0.61 0.37 0.00 0.00 175.52 176.37 3hij n GLY 48 N 0.14 -0.26 3.59 2.16 0.00 -0.37 -4.16 105.19 106.29 3hij n GLY 48 Ca 0.00 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 3hij n GLY 48 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hij n GLU 49 N -0.05 -7.92 -0.35 1.61 1.02 -0.38 -4.20 120.64 110.37 3hij n GLU 49 Ca 0.06 0.83 0.24 0.00 -0.02 0.00 0.00 57.16 58.27 3hij n GLU 49 Cb 0.14 -5.89 0.49 0.00 -0.02 0.00 0.00 31.44 26.16 3hij n GLU 49 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3hij h SER 50 N -2.67 0.50 -0.13 1.62 4.64 -1.60 -1.80 113.55 114.12 3hij h SER 50 Ca -0.57 0.15 0.01 0.00 -0.47 0.00 0.00 61.79 60.91 3hij h SER 50 Cb 1.37 0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.54 3hij h SER 50 CO 0.56 -0.04 0.09 -0.65 -0.87 0.00 0.00 176.83 175.91 3hij h PRO 51 N 0.36 0.12 -0.09 4.77 0.11 -1.89 -2.85 132.00 132.53 3hij h PRO 51 Ca 0.70 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.80 3hij h PRO 51 Cb 1.67 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.75 3hij h PRO 51 CO -0.48 0.08 0.00 0.25 -0.21 0.00 0.00 178.00 177.64 3hij n THR 52 N -4.52 0.13 -2.96 -1.15 -2.24 -0.69 -4.93 114.28 97.92 3hij n THR 52 Ca -0.01 -0.56 -0.37 0.00 -2.27 0.00 0.00 64.05 60.84 3hij n THR 52 Cb 0.12 1.26 -0.06 0.00 -2.10 0.00 0.00 70.33 69.55 3hij n THR 52 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hij s LEU 53 N -1.42 4.40 0.70 3.22 1.43 -1.08 -5.07 118.68 120.87 3hij s LEU 53 Ca 0.23 1.62 -0.11 0.00 -1.03 0.00 0.00 54.13 54.83 3hij s LEU 53 Cb 0.15 -3.67 0.01 0.00 0.03 0.00 0.00 46.19 42.72 3hij s LEU 53 CO 0.23 0.04 1.09 0.42 0.23 0.00 0.00 176.35 178.36 3hij s THR 54 N -1.46 3.59 0.27 5.49 -4.23 -1.26 -4.84 115.64 113.19 3hij s THR 54 Ca 0.44 0.51 -0.00 0.00 -1.18 0.00 0.00 61.69 61.45 3hij s THR 54 Cb -0.19 -3.51 0.25 0.00 1.34 0.00 0.00 72.50 70.40 3hij s THR 54 CO 0.23 -0.67 1.79 -1.28 -0.54 0.00 0.00 174.62 174.15 3hij h SER 55 N -0.62 0.68 0.39 3.99 0.87 -1.97 0.76 113.55 117.64 3hij h SER 55 Ca -0.45 0.07 -0.22 0.00 -1.23 0.00 0.00 61.79 59.96 3hij h SER 55 Cb 1.25 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 3hij h SER 55 CO 0.64 0.32 -0.94 1.05 -0.53 0.00 0.00 176.83 177.37 3hij h GLU 56 N 0.76 0.37 -0.30 2.24 9.09 -1.99 -1.46 114.58 123.29 3hij h GLU 56 Ca 0.48 -0.40 0.02 0.00 0.05 0.00 0.00 59.36 59.51 3hij h GLU 56 Cb 0.60 0.12 -0.03 0.00 -1.65 0.00 0.00 28.75 27.79 3hij h GLU 56 CO -0.32 1.08 0.14 0.93 0.05 0.00 0.00 179.01 180.89 3hij h GLU 57 N 0.21 0.28 -0.11 1.06 5.08 -1.79 -1.43 114.58 117.88 3hij h GLU 57 Ca -0.07 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3hij h GLU 57 Cb 1.57 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.72 3hij h GLU 57 CO 0.16 0.19 -0.14 0.87 -1.00 0.00 0.00 179.01 179.08 3hij h LYS 58 N 0.29 -0.18 -0.09 2.33 1.57 -0.64 0.25 116.57 120.11 3hij h LYS 58 Ca 0.13 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 3hij h LYS 58 Cb 0.06 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3hij h LYS 58 CO -0.10 -0.12 -0.00 0.28 -0.57 0.00 0.00 179.45 178.94 3hij h VAL 59 N -0.18 0.94 -0.31 0.50 2.07 -1.20 0.13 116.25 118.20 3hij h VAL 59 Ca 0.09 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 3hij h VAL 59 Cb 0.31 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3hij h VAL 59 CO -0.22 0.01 0.08 0.00 0.02 0.00 0.00 177.57 177.45 3hij h ALA 60 N 1.08 1.56 -0.31 1.67 0.00 -0.82 0.39 119.26 122.83 3hij h ALA 60 Ca 0.04 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 3hij h ALA 60 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3hij h ALA 60 CO -0.07 0.33 -0.28 1.25 0.00 0.00 0.00 179.25 180.48 3hij h LEU 61 N 0.44 0.78 -0.37 0.00 5.85 0.40 -1.56 115.31 120.85 3hij h LEU 61 Ca 0.11 -0.46 0.01 0.00 0.84 0.00 0.00 57.88 58.37 3hij h LEU 61 Cb 0.17 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3hij h LEU 61 CO -0.00 1.08 0.22 1.88 -0.34 0.00 0.00 178.44 181.28 3hij h TYR 62 N 0.49 0.42 -0.21 1.25 0.05 -0.24 -0.84 116.97 117.89 3hij h TYR 62 Ca 0.05 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.84 3hij h TYR 62 Cb 0.85 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.45 3hij h TYR 62 CO 0.07 0.25 0.14 -0.09 -1.05 0.00 0.00 178.16 177.48 3hij h ARG 63 N 0.46 0.28 -0.43 4.88 2.43 -0.80 -0.96 114.38 120.24 3hij h ARG 63 Ca 0.14 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 3hij h ARG 63 Cb -0.01 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3hij h ARG 63 CO -0.06 0.21 -0.01 1.25 -1.51 0.00 0.00 179.97 179.85 3hij h HIS 64 N 0.28 0.84 -0.56 2.20 2.76 -1.11 -1.98 115.15 117.58 3hij h HIS 64 Ca 0.08 -0.15 -0.03 0.00 -2.20 0.00 0.00 60.37 58.07 3hij h HIS 64 Cb -0.01 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 28.71 3hij h HIS 64 CO -0.06 0.83 0.23 0.28 -1.30 0.00 0.00 177.93 177.92 3hij h VAL 65 N 0.61 1.22 -0.35 5.26 2.07 -0.94 -0.33 116.25 123.79 3hij h VAL 65 Ca 0.12 -0.67 0.06 0.00 0.82 0.00 0.00 66.70 67.03 3hij h VAL 65 Cb 0.50 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 3hij h VAL 65 CO 0.02 0.26 -0.01 0.58 0.02 0.00 0.00 177.57 178.45 3hij h VAL 66 N 0.77 0.74 -0.12 2.57 2.07 -0.72 0.13 116.25 121.68 3hij h VAL 66 Ca 0.19 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.67 3hij h VAL 66 Cb 0.19 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3hij h VAL 66 CO -0.02 0.02 0.07 -1.28 0.02 0.00 0.00 177.57 176.37 3hij h SER 67 N 0.09 0.15 -0.62 0.57 0.87 -0.94 0.12 113.55 113.80 3hij h SER 67 Ca 0.17 -0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.58 3hij h SER 67 Cb 0.23 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 3hij h SER 67 CO -0.29 0.20 0.17 0.58 -0.53 0.00 0.00 176.83 176.96 3hij h VAL 68 N 0.09 1.25 -0.42 2.23 2.07 -0.83 -2.90 116.25 117.74 3hij h VAL 68 Ca 0.04 -0.88 -0.06 0.00 0.82 0.00 0.00 66.70 66.62 3hij h VAL 68 Cb 0.08 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3hij h VAL 68 CO -0.01 0.33 0.01 0.58 0.02 0.00 0.00 177.57 178.51 3hij h VAL 69 N 0.89 1.22 -6.23 2.57 2.07 -0.30 -3.47 116.25 113.02 3hij h VAL 69 Ca 0.20 -0.90 -0.45 0.00 0.82 0.00 0.00 66.70 66.37 3hij h VAL 69 Cb 0.33 0.89 0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3hij h VAL 69 CO -0.00 0.32 -0.83 -0.67 0.02 0.00 0.00 177.57 176.40 3hij n ASP 70 N -4.24 -1.60 -0.53 0.57 4.64 -0.01 -1.26 116.55 114.11 3hij n ASP 70 Ca 0.02 -0.86 -0.07 0.00 -1.38 0.00 0.00 54.79 52.50 3hij n ASP 70 Cb 0.27 -3.77 -0.03 0.00 -1.04 0.00 0.00 41.12 36.55 3hij n ASP 70 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3hij n LYS 71 N -4.37 -1.71 -0.03 -0.67 4.76 -1.26 -4.87 118.16 110.00 3hij n LYS 71 Ca -0.24 0.72 -0.08 0.00 -2.87 0.00 0.00 58.31 55.84 3hij n LYS 71 Cb 0.65 -5.11 0.08 0.00 -1.84 0.00 0.00 35.03 28.81 3hij n LYS 71 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hij h ARG 72 N 0.04 0.65 -4.16 1.97 3.08 -1.55 -3.45 114.38 110.96 3hij h ARG 72 Ca -0.14 -0.33 -0.13 0.00 0.07 0.00 0.00 59.98 59.46 3hij h ARG 72 Cb 1.06 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.96 3hij h ARG 72 CO 0.21 0.93 -0.66 0.14 -1.07 0.00 0.00 179.97 179.51 3hij s VAL 73 N -4.31 0.20 0.48 2.04 -7.23 -1.26 -5.08 120.40 105.24 3hij s VAL 73 Ca -0.08 -1.61 -0.24 0.00 -1.81 0.00 0.00 61.98 58.24 3hij s VAL 73 Cb 0.12 -1.29 -0.07 0.00 0.56 0.00 0.00 36.38 35.70 3hij s VAL 73 CO 0.84 -0.89 1.38 -2.84 -0.31 0.00 0.00 175.10 173.28 3hij s PRO 74 N -3.48 3.54 -0.23 4.82 0.02 -1.26 -4.84 135.00 133.57 3hij s PRO 74 Ca 0.03 2.30 -0.04 0.00 0.02 0.00 0.00 61.00 63.31 3hij s PRO 74 Cb 0.05 -2.52 -0.00 0.00 0.02 0.00 0.00 34.50 32.04 3hij s PRO 74 CO -0.08 -0.89 -0.04 0.08 -0.33 0.00 0.00 177.00 175.73 3hij s VAL 75 N -1.26 3.32 -0.21 3.83 1.01 -1.26 -1.43 120.40 124.40 3hij s VAL 75 Ca 0.64 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.98 3hij s VAL 75 Cb -0.41 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 3hij s VAL 75 CO 0.52 0.37 -0.02 -0.63 0.00 0.00 0.00 175.10 175.33 3hij s ILE 76 N 1.45 3.65 -0.18 2.22 1.01 0.18 -0.82 121.20 128.72 3hij s ILE 76 Ca 0.05 -0.41 -0.15 0.00 0.00 0.00 0.00 60.65 60.14 3hij s ILE 76 Cb -0.15 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 3hij s ILE 76 CO -0.03 0.42 0.34 0.00 0.00 0.00 0.00 174.94 175.68 3hij s ALA 77 N 1.23 3.57 -1.25 9.38 0.00 -0.43 0.34 121.76 134.58 3hij s ALA 77 Ca 0.03 -0.49 -0.18 0.00 0.00 0.00 0.00 51.96 51.32 3hij s ALA 77 Cb -0.14 -2.51 -0.00 0.00 0.00 0.00 0.00 23.12 20.46 3hij s ALA 77 CO -0.00 -0.10 1.98 0.41 0.00 0.00 0.00 175.76 178.04 3hij n GLY 78 N 3.67 3.05 0.04 0.00 0.00 0.99 -1.37 105.19 111.56 3hij n GLY 78 Ca -0.10 -1.37 0.12 0.00 0.00 0.00 0.00 46.02 44.66 3hij n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hij n THR 79 N 6.04 0.23 -2.76 2.61 -2.24 -0.86 -4.73 114.28 112.57 3hij n THR 79 Ca 0.50 -0.18 -0.36 0.00 -2.27 0.00 0.00 64.05 61.73 3hij n THR 79 Cb 0.43 -0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.59 3hij n THR 79 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3hij s GLY 80 N -3.45 2.70 0.00 3.38 0.00 -1.16 -4.61 107.32 104.18 3hij s GLY 80 Ca 0.08 0.52 0.00 0.00 0.00 0.00 0.00 44.72 45.31 3hij s GLY 80 CO 0.71 0.92 0.00 -1.14 0.00 0.00 0.00 173.10 173.60 3hij n SER 81 N 0.23 0.77 -0.84 1.64 3.41 -1.26 -4.48 113.62 113.10 3hij n SER 81 Ca 0.03 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.72 3hij n SER 81 Cb 0.51 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.66 3hij n SER 81 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hij n ASN 82 N 0.00 2.43 -4.06 4.04 2.04 -1.26 -4.47 115.26 113.97 3hij n ASN 82 Ca 0.00 -2.00 -0.32 0.00 -0.44 0.00 0.00 54.58 51.82 3hij n ASN 82 Cb 0.00 -0.30 -0.15 0.00 -2.53 0.00 0.00 39.78 36.80 3hij n ASN 82 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 3hij s ASN 83 N -1.01 4.65 0.22 0.53 3.84 -1.26 -4.92 114.94 116.99 3hij s ASN 83 Ca 0.30 -1.71 -0.08 0.00 0.21 0.00 0.00 52.86 51.58 3hij s ASN 83 Cb 0.16 -1.61 0.32 0.00 -0.55 0.00 0.00 41.25 39.57 3hij s ASN 83 CO 0.21 -0.29 1.74 0.74 -2.79 0.00 0.00 177.10 176.71 3hij h THR 84 N 6.66 0.73 -0.40 -5.21 2.02 -1.95 -1.06 112.91 113.70 3hij h THR 84 Ca -0.13 -0.14 -0.06 0.00 0.77 0.00 0.00 66.41 66.85 3hij h THR 84 Cb 1.03 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 3hij h THR 84 CO 0.50 0.08 0.02 -0.74 0.37 0.00 0.00 175.52 175.75 3hij h HIS 85 N 0.41 0.74 -0.06 3.16 -0.00 -1.98 -0.85 115.15 116.57 3hij h HIS 85 Ca 0.33 -0.12 -0.08 0.00 -0.00 0.00 0.00 60.37 60.50 3hij h HIS 85 Cb 0.44 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.64 3hij h HIS 85 CO -0.17 0.75 -0.34 0.00 -0.00 0.00 0.00 177.93 178.17 3hij h ALA 86 N 0.90 1.33 -0.37 5.26 0.00 -1.96 -1.42 119.26 123.01 3hij h ALA 86 Ca 0.12 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 3hij h ALA 86 Cb 0.44 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3hij h ALA 86 CO 0.02 0.48 -0.08 0.77 0.00 0.00 0.00 179.25 180.43 3hij h SER 87 N 0.09 0.70 -0.01 0.00 0.02 -0.51 0.05 113.55 113.90 3hij h SER 87 Ca 0.01 -0.36 0.02 0.00 -0.84 0.00 0.00 61.79 60.62 3hij h SER 87 Cb 0.65 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 3hij h SER 87 CO 0.05 0.90 -0.10 0.40 -1.14 0.00 0.00 176.83 176.93 3hij h ILE 88 N 0.50 0.74 -0.13 3.27 2.04 -1.04 -0.69 117.51 122.20 3hij h ILE 88 Ca 0.09 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.99 3hij h ILE 88 Cb 0.59 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 3hij h ILE 88 CO 0.03 0.00 -0.11 -0.78 0.00 0.00 0.00 178.15 177.30 3hij h ASP 89 N -0.17 -0.34 0.53 1.72 3.58 -1.16 -0.53 116.42 120.05 3hij h ASP 89 Ca 0.04 0.07 -0.12 0.00 0.42 0.00 0.00 57.03 57.44 3hij h ASP 89 Cb 0.23 0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 3hij h ASP 89 CO -0.11 -0.14 -0.55 0.25 -2.88 0.00 0.00 179.24 175.80 3hij h LEU 90 N -0.12 0.03 -0.52 2.28 5.85 -0.87 -2.09 115.31 119.87 3hij h LEU 90 Ca 0.08 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3hij h LEU 90 Cb 0.24 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3hij h LEU 90 CO -0.20 0.58 0.23 0.74 -0.34 0.00 0.00 178.44 179.45 3hij h THR 91 N 0.02 1.21 -0.99 1.05 2.02 -0.61 -0.47 112.91 115.14 3hij h THR 91 Ca -0.00 -0.61 0.01 0.00 0.77 0.00 0.00 66.41 66.57 3hij h THR 91 Cb 0.99 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 68.00 3hij h THR 91 CO 0.07 0.24 0.65 0.11 0.37 0.00 0.00 175.52 176.96 3hij h LYS 92 N 0.69 1.30 -0.03 6.66 1.79 -0.67 -0.52 116.57 125.79 3hij h LYS 92 Ca 0.18 -0.08 -0.12 0.00 -2.18 0.00 0.00 60.65 58.44 3hij h LYS 92 Cb 0.16 -0.29 -0.01 0.00 -1.58 0.00 0.00 32.23 30.50 3hij h LYS 92 CO -0.02 0.87 -0.56 0.87 -1.08 0.00 0.00 179.45 179.53 3hij h LYS 93 N 1.34 0.10 -0.13 3.15 1.57 -1.09 -1.80 116.57 119.71 3hij h LYS 93 Ca 0.36 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 59.00 3hij h LYS 93 Cb -0.15 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.17 3hij h LYS 93 CO -0.08 0.63 -0.24 0.00 -0.57 0.00 0.00 179.45 179.19 3hij h ALA 94 N 1.36 0.20 -0.58 3.86 0.00 -0.61 -2.76 119.26 120.74 3hij h ALA 94 Ca -0.00 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.56 3hij h ALA 94 Cb 1.01 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 3hij h ALA 94 CO 0.08 0.17 0.33 1.15 0.00 0.00 0.00 179.25 180.98 3hij h THR 95 N -0.02 1.02 0.00 0.00 2.02 -0.99 -1.85 112.91 113.09 3hij h THR 95 Ca 0.01 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 3hij h THR 95 Cb 0.82 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 3hij h THR 95 CO 0.05 0.12 -0.02 -0.33 0.37 0.00 0.00 175.52 175.71 3hij h GLU 96 N 0.64 0.00 -0.65 6.66 5.08 -1.25 -0.45 114.58 124.61 3hij h GLU 96 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3hij h GLU 96 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3hij h GLU 96 CO -0.13 0.02 0.00 1.33 -1.00 0.00 0.00 179.01 179.23 3hij n VAL 97 N -4.02 1.14 -0.80 3.13 0.24 -0.71 -4.95 118.33 112.38 3hij n VAL 97 Ca -0.03 -0.93 0.00 0.00 -2.04 0.00 0.00 64.34 61.34 3hij n VAL 97 Cb 0.11 0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 3hij n VAL 97 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hij n GLY 98 N 1.36 0.64 3.76 7.63 0.00 -0.18 -4.73 105.19 113.68 3hij n GLY 98 Ca 0.22 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 3hij n GLY 98 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hij s VAL 99 N -2.00 3.15 -0.48 1.61 -7.23 -1.16 -4.95 120.40 109.34 3hij s VAL 99 Ca 0.00 0.37 0.23 0.00 -1.81 0.00 0.00 61.98 60.78 3hij s VAL 99 Cb 0.00 -2.93 -0.02 0.00 0.56 0.00 0.00 36.38 33.99 3hij s VAL 99 CO 0.00 -0.49 1.13 0.47 -0.31 0.00 0.00 175.10 175.90 3hij n ASP 100 N -3.58 0.71 -3.57 4.85 9.92 0.00 -4.84 116.55 120.03 3hij n ASP 100 Ca 0.08 0.10 -0.07 0.00 -0.53 0.00 0.00 54.79 54.37 3hij n ASP 100 Cb 0.54 0.46 -0.02 0.00 -0.64 0.00 0.00 41.12 41.46 3hij n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hij s ALA 101 N -3.25 -1.76 0.09 2.24 0.00 -1.07 -4.23 121.76 113.78 3hij s ALA 101 Ca 0.03 0.74 0.09 0.00 0.00 0.00 0.00 51.96 52.82 3hij s ALA 101 Cb 0.12 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 3hij s ALA 101 CO 0.77 -0.79 -0.23 0.14 0.00 0.00 0.00 175.76 175.65 3hij s VAL 102 N -3.20 1.92 -0.12 0.00 -7.23 -0.68 -1.32 120.40 109.77 3hij s VAL 102 Ca 0.07 -1.52 -0.01 0.00 -1.81 0.00 0.00 61.98 58.71 3hij s VAL 102 Cb -0.01 -1.70 -0.02 0.00 0.56 0.00 0.00 36.38 35.20 3hij s VAL 102 CO -0.06 0.09 -0.08 -0.32 -0.31 0.00 0.00 175.10 174.41 3hij s MET 103 N -1.73 3.31 -0.24 4.82 1.75 -0.47 0.02 119.30 126.76 3hij s MET 103 Ca 0.10 -0.59 0.01 0.00 -1.25 0.00 0.00 55.69 53.96 3hij s MET 103 Cb -0.10 -2.71 0.06 0.00 2.84 0.00 0.00 34.83 34.92 3hij s MET 103 CO 0.04 0.35 -0.07 -0.51 -0.65 0.00 0.00 175.02 174.17 3hij s LEU 104 N 0.04 2.79 0.47 4.11 1.43 0.28 -2.02 118.68 125.79 3hij s LEU 104 Ca -0.02 -1.22 -0.21 0.00 -1.03 0.00 0.00 54.13 51.65 3hij s LEU 104 Cb -0.14 -1.29 -0.08 0.00 0.03 0.00 0.00 46.19 44.71 3hij s LEU 104 CO 0.03 -0.22 1.05 0.54 0.23 0.00 0.00 176.35 177.99 3hij s VAL 105 N 1.31 3.72 0.15 -1.59 0.11 -1.26 -1.02 120.40 121.82 3hij s VAL 105 Ca -0.06 1.12 -0.33 0.00 -2.93 0.00 0.00 61.98 59.78 3hij s VAL 105 Cb -0.19 -3.48 -0.13 0.00 -1.53 0.00 0.00 36.38 31.05 3hij s VAL 105 CO -0.06 -0.18 1.69 0.00 -3.33 0.00 0.00 175.10 173.22 3hij n ALA 106 N -0.79 1.90 -1.68 1.54 0.00 0.13 -4.74 120.51 116.87 3hij n ALA 106 Ca 0.09 0.40 -0.49 0.00 0.00 0.00 0.00 53.44 53.43 3hij n ALA 106 Cb 0.52 -2.46 -0.05 0.00 0.00 0.00 0.00 19.45 17.46 3hij n ALA 106 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3hij n PRO 107 N 4.22 1.98 -2.75 0.00 -0.02 -1.26 -4.82 135.00 132.35 3hij n PRO 107 Ca 0.17 0.72 -0.27 0.00 -2.02 0.00 0.00 63.50 62.11 3hij n PRO 107 Cb 0.32 -2.52 -0.00 0.00 -0.02 0.00 0.00 33.50 31.28 3hij n PRO 107 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3hij s TYR 108 N 2.98 3.55 0.00 6.00 1.13 -1.26 -4.43 117.35 125.33 3hij s TYR 108 Ca 0.89 0.74 0.00 0.00 -1.41 0.00 0.00 57.07 57.29 3hij s TYR 108 Cb -0.75 -2.24 0.00 0.00 -1.10 0.00 0.00 41.96 37.87 3hij s TYR 108 CO 0.50 -0.22 0.00 0.98 -2.51 0.00 0.00 175.55 174.30 3hij n TYR 109 N -2.19 0.00 1.48 -3.49 9.36 -1.26 -4.40 117.16 116.66 3hij n TYR 109 Ca -0.00 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.36 3hij n TYR 109 Cb 0.55 0.00 0.56 0.00 -0.63 0.00 0.00 39.34 39.83 3hij n TYR 109 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3hij n ASN 110 N 1.98 0.99 -3.69 2.98 0.23 -1.26 -4.98 115.26 111.49 3hij n ASN 110 Ca 0.00 -1.10 -0.30 0.00 -0.53 0.00 0.00 54.58 52.64 3hij n ASN 110 Cb 0.00 0.02 0.03 0.00 -2.08 0.00 0.00 39.78 37.75 3hij n ASN 110 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3hij n LYS 111 N -0.40 -1.13 -1.19 -3.83 5.02 -1.26 -4.95 118.16 110.42 3hij n LYS 111 Ca 0.17 0.52 -0.31 0.00 -2.02 0.00 0.00 58.31 56.67 3hij n LYS 111 Cb 0.31 -3.85 0.10 0.00 -0.02 0.00 0.00 35.03 31.57 3hij n LYS 111 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3hij s PRO 112 N -5.83 2.09 1.04 1.97 0.04 -1.26 -5.05 135.00 128.00 3hij s PRO 112 Ca 0.40 1.21 -0.17 0.00 0.04 0.00 0.00 61.00 62.47 3hij s PRO 112 Cb -0.15 -1.87 0.24 0.00 0.04 0.00 0.00 34.50 32.75 3hij s PRO 112 CO 0.87 -1.77 1.30 -1.54 0.04 0.00 0.00 177.00 175.90 3hij s SER 113 N -3.31 2.43 0.13 6.66 1.04 -1.26 -4.80 113.70 114.60 3hij s SER 113 Ca 0.62 0.26 -0.15 0.00 0.48 0.00 0.00 55.95 57.16 3hij s SER 113 Cb -0.18 -0.27 -0.01 0.00 0.10 0.00 0.00 66.02 65.66 3hij s SER 113 CO 0.56 -3.16 1.62 1.56 0.98 0.00 0.00 173.24 174.81 3hij h GLN 114 N -1.93 0.68 -0.58 4.02 1.08 -1.96 -0.78 115.11 115.63 3hij h GLN 114 Ca -0.44 -0.18 -0.04 0.00 -1.45 0.00 0.00 58.65 56.55 3hij h GLN 114 Cb 1.23 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 28.55 3hij h GLN 114 CO 0.33 0.71 0.20 1.49 -0.95 0.00 0.00 178.83 180.61 3hij h GLU 115 N 0.54 0.86 -0.36 1.46 4.57 -1.99 0.26 114.58 119.92 3hij h GLU 115 Ca 0.13 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 3hij h GLU 115 Cb 0.35 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 3hij h GLU 115 CO 0.01 0.72 0.15 0.78 -1.18 0.00 0.00 179.01 179.49 3hij h GLY 116 N 0.97 0.58 1.10 1.92 0.00 -1.85 -1.10 103.07 104.68 3hij h GLY 116 Ca 0.19 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 3hij h GLY 116 CO -0.01 0.30 0.25 -0.33 0.00 0.00 0.00 176.54 176.74 3hij h MET 117 N 0.44 1.13 -0.25 4.80 2.86 -0.72 0.88 114.93 124.07 3hij h MET 117 Ca 0.12 -0.23 0.05 0.00 -2.06 0.00 0.00 59.70 57.58 3hij h MET 117 Cb 0.18 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 3hij h MET 117 CO -0.01 0.94 -0.04 -0.92 1.06 0.00 0.00 176.91 177.95 3hij h TYR 118 N 1.09 -0.08 -0.33 -0.22 3.20 -0.15 0.88 116.97 121.36 3hij h TYR 118 Ca 0.24 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.98 3hij h TYR 118 Cb 0.27 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3hij h TYR 118 CO 0.02 -0.08 -0.40 1.96 -1.64 0.00 0.00 178.16 178.02 3hij h GLN 119 N 0.03 0.81 0.59 1.82 1.08 -0.90 0.45 115.11 119.00 3hij h GLN 119 Ca 0.12 -0.43 -0.03 0.00 -1.45 0.00 0.00 58.65 56.87 3hij h GLN 119 Cb 0.17 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 3hij h GLN 119 CO -0.23 1.06 -0.32 1.25 -0.95 0.00 0.00 178.83 179.64 3hij h HIS 120 N 0.66 -0.83 -0.53 2.96 -0.00 -0.50 0.69 115.15 117.60 3hij h HIS 120 Ca 0.05 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.34 3hij h HIS 120 Cb 0.96 0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 28.64 3hij h HIS 120 CO 0.05 -0.50 0.07 0.74 -0.00 0.00 0.00 177.93 178.29 3hij h PHE 121 N -0.84 0.95 -0.48 5.26 0.04 -0.73 -1.02 116.94 120.12 3hij h PHE 121 Ca -0.08 -0.14 0.08 0.00 2.80 0.00 0.00 57.97 60.63 3hij h PHE 121 Cb 0.66 -0.26 -0.07 0.00 2.20 0.00 0.00 35.95 38.49 3hij h PHE 121 CO -0.06 0.86 0.08 -0.22 -0.60 0.00 0.00 178.31 178.37 3hij h LYS 122 N 0.77 0.21 -0.16 1.51 3.64 -0.86 0.10 116.57 121.77 3hij h LYS 122 Ca 0.16 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.40 3hij h LYS 122 Cb 0.43 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3hij h LYS 122 CO 0.01 0.14 -0.44 0.00 -2.27 0.00 0.00 179.45 176.89 3hij h ALA 123 N 1.38 0.94 -0.15 5.00 0.00 -0.44 -1.29 119.26 124.70 3hij h ALA 123 Ca 0.24 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 3hij h ALA 123 Cb 0.32 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hij h ALA 123 CO -0.32 0.64 -0.42 0.82 0.00 0.00 0.00 179.25 179.96 3hij h ILE 124 N 0.32 1.35 -0.91 0.00 2.04 -0.79 -3.00 117.51 116.52 3hij h ILE 124 Ca 0.02 -1.70 0.09 0.00 1.00 0.00 0.00 64.86 64.27 3hij h ILE 124 Cb 0.91 2.04 -0.07 0.00 -0.74 0.00 0.00 36.82 38.95 3hij h ILE 124 CO 0.08 0.52 0.55 0.00 0.00 0.00 0.00 178.15 179.30 3hij h ALA 125 N 0.53 1.30 0.00 1.87 0.00 -0.69 -1.74 119.26 120.54 3hij h ALA 125 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hij h ALA 125 Cb 1.04 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3hij h ALA 125 CO 0.09 0.22 0.00 0.93 0.00 0.00 0.00 179.25 180.49 3hij h GLU 126 N 0.94 0.00 -0.00 0.00 5.08 -1.19 -2.89 114.58 116.52 3hij h GLU 126 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 3hij h GLU 126 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3hij h GLU 126 CO -0.22 0.00 -0.09 -1.13 -1.00 0.00 0.00 179.01 176.56 3hij n SER 127 N -2.89 0.50 -3.97 1.42 3.41 -0.65 -4.87 113.62 106.56 3hij n SER 127 Ca 0.01 -0.65 -0.11 0.00 -0.26 0.00 0.00 58.87 57.86 3hij n SER 127 Cb 0.30 -0.07 -0.12 0.00 -0.26 0.00 0.00 64.21 64.06 3hij n SER 127 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3hij s THR 128 N -2.41 0.17 -0.52 6.66 -1.32 -1.09 -4.80 115.64 112.33 3hij s THR 128 Ca 0.31 -0.73 0.26 0.00 -1.21 0.00 0.00 61.69 60.31 3hij s THR 128 Cb 0.20 -0.27 0.30 0.00 -1.51 0.00 0.00 72.50 71.22 3hij s THR 128 CO 0.46 -0.36 1.75 1.55 -2.21 0.00 0.00 174.62 175.81 3hij h PRO 129 N 4.97 0.00 -7.10 7.08 0.13 -1.89 -3.48 132.00 131.71 3hij h PRO 129 Ca -0.31 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.29 3hij h PRO 129 Cb 1.21 0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.46 3hij h PRO 129 CO 0.43 0.00 0.47 -0.51 -0.23 0.00 0.00 178.00 178.16 3hij s LEU 130 N -5.06 3.63 0.51 1.56 1.43 -1.26 -4.96 118.68 114.54 3hij s LEU 130 Ca 0.07 2.41 -0.23 0.00 -1.03 0.00 0.00 54.13 55.36 3hij s LEU 130 Cb 0.10 -4.60 -0.06 0.00 0.03 0.00 0.00 46.19 41.66 3hij s LEU 130 CO 0.56 -1.68 1.36 -2.84 0.23 0.00 0.00 176.35 173.98 3hij s PRO 131 N -3.38 3.33 -0.08 1.29 0.02 -1.26 -4.85 135.00 130.07 3hij s PRO 131 Ca 0.78 2.25 0.04 0.00 0.02 0.00 0.00 61.00 64.09 3hij s PRO 131 Cb -0.31 -2.38 0.00 0.00 0.02 0.00 0.00 34.50 31.83 3hij s PRO 131 CO 0.35 -1.04 -0.21 0.08 -0.33 0.00 0.00 177.00 175.85 3hij s VAL 132 N -1.29 1.79 -0.24 3.83 1.01 0.22 -1.68 120.40 124.03 3hij s VAL 132 Ca 0.68 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 3hij s VAL 132 Cb -0.40 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 3hij s VAL 132 CO 0.49 0.50 -0.00 -0.32 0.00 0.00 0.00 175.10 175.77 3hij s MET 133 N 0.28 3.37 0.66 2.72 1.75 0.10 -1.21 119.30 126.97 3hij s MET 133 Ca -0.13 -0.64 -0.14 0.00 -1.25 0.00 0.00 55.69 53.52 3hij s MET 133 Cb -0.16 -3.13 -0.00 0.00 2.84 0.00 0.00 34.83 34.38 3hij s MET 133 CO 0.06 -0.24 1.08 -0.51 -0.65 0.00 0.00 175.02 174.76 3hij s LEU 134 N 1.50 3.32 -0.22 4.11 1.43 -0.07 -0.55 118.68 128.21 3hij s LEU 134 Ca 0.05 1.84 -0.04 0.00 -1.03 0.00 0.00 54.13 54.95 3hij s LEU 134 Cb -0.15 -4.53 0.08 0.00 0.03 0.00 0.00 46.19 41.62 3hij s LEU 134 CO -0.01 -1.51 0.14 -0.47 0.23 0.00 0.00 176.35 174.72 3hij s TYR 135 N -2.59 0.12 -0.29 0.29 5.04 -0.18 -4.38 117.35 115.35 3hij s TYR 135 Ca 0.63 -0.39 -0.16 0.00 -2.44 0.00 0.00 57.07 54.71 3hij s TYR 135 Cb -0.17 -0.69 -0.03 0.00 0.35 0.00 0.00 41.96 41.42 3hij s TYR 135 CO 0.45 -0.65 0.43 1.21 -1.34 0.00 0.00 175.55 175.65 3hij s ASN 136 N 2.17 6.30 -0.42 4.32 2.47 -1.26 -0.69 114.94 127.83 3hij s ASN 136 Ca 0.05 0.25 0.08 0.00 0.42 0.00 0.00 52.86 53.66 3hij s ASN 136 Cb -0.16 -2.24 0.28 0.00 -1.45 0.00 0.00 41.25 37.68 3hij s ASN 136 CO -0.19 -0.28 0.73 0.55 -3.72 0.00 0.00 177.10 174.19 3hij n VAL 137 N 5.20 -0.33 0.29 -5.21 3.14 -1.26 0.37 118.33 120.52 3hij n VAL 137 Ca -0.07 -3.17 0.14 0.00 -2.96 0.00 0.00 64.34 58.28 3hij n VAL 137 Cb 0.50 -0.32 0.87 0.00 -1.06 0.00 0.00 33.84 33.83 3hij n VAL 137 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 3hij h PRO 138 N 3.69 0.00 0.00 1.45 0.13 -1.81 0.66 132.00 136.12 3hij h PRO 138 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3hij h PRO 138 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3hij h PRO 138 CO 0.39 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.58 3hij n GLY 139 N -1.34 -1.04 0.00 1.56 0.00 -1.26 -0.57 105.19 102.53 3hij n GLY 139 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3hij n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hij n ARG 140 N -1.65 3.32 0.00 1.61 1.74 -0.43 -4.84 116.66 116.42 3hij n ARG 140 Ca 0.03 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.22 3hij n ARG 140 Cb 0.18 -0.95 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 3hij n ARG 140 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3hij n SER 141 N -1.79 2.07 0.00 0.55 7.64 0.09 -4.74 113.62 117.44 3hij n SER 141 Ca 0.00 -1.54 0.00 0.00 1.01 0.00 0.00 58.87 58.34 3hij n SER 141 Cb 0.41 0.44 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 3hij n SER 141 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3hij n ILE 142 N 0.07 0.00 -1.24 0.44 5.41 0.26 -4.30 119.36 120.00 3hij n ILE 142 Ca 0.09 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.52 3hij n ILE 142 Cb 0.47 0.00 0.10 0.00 -0.71 0.00 0.00 39.64 39.50 3hij n ILE 142 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 3hij s VAL 143 N 0.00 2.84 0.10 1.39 -7.23 -1.26 -4.71 120.40 111.53 3hij s VAL 143 Ca 0.00 0.32 0.07 0.00 -1.81 0.00 0.00 61.98 60.56 3hij s VAL 143 Cb 0.00 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 3hij s VAL 143 CO 0.00 -0.32 -0.11 -1.10 -0.31 0.00 0.00 175.10 173.26 3hij s GLN 144 N -4.54 2.12 -0.42 4.82 -0.21 -1.26 -3.84 119.66 116.32 3hij s GLN 144 Ca 0.66 -1.02 -0.27 0.00 0.02 0.00 0.00 55.36 54.74 3hij s GLN 144 Cb -0.21 -2.29 0.02 0.00 1.00 0.00 0.00 33.01 31.53 3hij s GLN 144 CO 0.52 0.51 1.03 0.42 -2.12 0.00 0.00 175.29 175.65 3hij s ILE 145 N -1.18 4.41 0.79 1.08 1.01 -1.26 -4.94 121.20 121.10 3hij s ILE 145 Ca 0.21 1.20 -0.12 0.00 0.00 0.00 0.00 60.65 61.93 3hij s ILE 145 Cb -0.11 -4.47 0.07 0.00 0.01 0.00 0.00 42.46 37.96 3hij s ILE 145 CO 0.13 -0.77 1.14 -0.94 0.00 0.00 0.00 174.94 174.50 3hij s SER 146 N 2.14 4.02 0.21 3.58 1.04 -1.26 -4.72 113.70 118.71 3hij s SER 146 Ca 0.43 2.10 -0.11 0.00 0.48 0.00 0.00 55.95 58.84 3hij s SER 146 Cb -0.10 -2.56 0.28 0.00 0.10 0.00 0.00 66.02 63.75 3hij s SER 146 CO 0.25 -2.36 1.67 0.58 0.98 0.00 0.00 173.24 174.35 3hij h VAL 147 N -0.98 0.51 -0.79 5.02 2.07 -1.95 -0.99 116.25 119.14 3hij h VAL 147 Ca -0.45 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 3hij h VAL 147 Cb 1.26 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 3hij h VAL 147 CO 0.48 0.02 0.40 -0.78 0.02 0.00 0.00 177.57 177.71 3hij h ASP 148 N 0.12 1.01 -0.09 0.57 3.58 -1.99 0.29 116.42 119.91 3hij h ASP 148 Ca 0.31 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 3hij h ASP 148 Cb 0.50 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.29 3hij h ASP 148 CO -0.51 0.84 0.01 0.74 -2.88 0.00 0.00 179.24 177.44 3hij h THR 149 N 1.12 1.22 -0.69 2.25 2.02 -1.74 -1.04 112.91 116.03 3hij h THR 149 Ca 0.28 -0.67 0.06 0.00 0.77 0.00 0.00 66.41 66.84 3hij h THR 149 Cb 0.08 1.49 -0.05 0.00 -1.74 0.00 0.00 68.15 67.93 3hij h THR 149 CO -0.04 0.19 0.40 0.58 0.37 0.00 0.00 175.52 177.02 3hij h VAL 150 N -0.08 0.99 -0.24 3.16 2.07 -0.80 -0.78 116.25 120.56 3hij h VAL 150 Ca 0.03 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3hij h VAL 150 Cb 0.29 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3hij h VAL 150 CO 0.00 0.14 0.12 0.58 0.02 0.00 0.00 177.57 178.43 3hij h VAL 151 N 0.74 1.14 -0.51 2.57 2.07 -0.75 0.20 116.25 121.71 3hij h VAL 151 Ca 0.31 -0.40 0.05 0.00 0.82 0.00 0.00 66.70 67.48 3hij h VAL 151 Cb 0.17 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 3hij h VAL 151 CO -0.17 0.14 0.24 0.03 0.02 0.00 0.00 177.57 177.83 3hij h ARG 152 N 0.27 0.46 -0.37 1.57 3.08 -0.95 -2.18 114.38 116.25 3hij h ARG 152 Ca 0.08 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 3hij h ARG 152 Cb 0.11 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3hij h ARG 152 CO -0.01 0.30 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.01 3hij h LEU 153 N 0.47 0.63 -1.99 3.04 3.38 -0.78 -2.56 115.31 117.49 3hij h LEU 153 Ca 0.23 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hij h LEU 153 Cb 0.17 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3hij h LEU 153 CO -0.18 0.77 0.00 0.77 0.09 0.00 0.00 178.44 179.89 3hij h SER 154 N 0.59 0.00 1.25 -0.43 4.64 0.05 0.38 113.55 120.02 3hij h SER 154 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3hij h SER 154 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3hij h SER 154 CO 0.03 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.37 3hij n GLU 155 N -2.83 0.17 -2.40 4.77 1.02 -0.96 -4.68 120.64 115.72 3hij n GLU 155 Ca -0.01 0.17 -0.41 0.00 -0.02 0.00 0.00 57.16 56.89 3hij n GLU 155 Cb 0.15 -1.71 -0.04 0.00 -0.02 0.00 0.00 31.44 29.82 3hij n GLU 155 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3hij s ILE 156 N -3.08 3.49 0.18 -3.67 1.01 0.12 -4.95 121.20 114.31 3hij s ILE 156 Ca 0.11 1.36 -0.13 0.00 0.00 0.00 0.00 60.65 61.99 3hij s ILE 156 Cb 0.14 -3.87 0.09 0.00 0.01 0.00 0.00 42.46 38.83 3hij s ILE 156 CO 0.55 0.27 1.84 -0.08 0.00 0.00 0.00 174.94 177.52 3hij h GLU 157 N 4.57 0.75 -0.50 2.79 4.81 -1.86 -2.46 114.58 122.69 3hij h GLU 157 Ca -0.46 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3hij h GLU 157 Cb 1.21 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.43 3hij h GLU 157 CO 0.71 0.49 0.00 0.27 -0.73 0.00 0.00 179.01 179.75 3hij n ASN 158 N -4.70 2.96 -4.47 1.04 6.94 -1.26 -4.75 115.26 111.02 3hij n ASN 158 Ca 0.04 -1.97 -0.43 0.00 -0.02 0.00 0.00 54.58 52.20 3hij n ASN 158 Cb 0.03 -0.33 -0.08 0.00 -2.36 0.00 0.00 39.78 37.04 3hij n ASN 158 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3hij s ILE 159 N -1.34 5.01 0.00 1.53 1.01 -0.93 0.69 121.20 127.17 3hij s ILE 159 Ca 0.38 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.67 3hij s ILE 159 Cb 0.20 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.54 3hij s ILE 159 CO 0.27 -0.54 0.07 1.33 0.00 0.00 0.00 174.94 176.07 3hij n VAL 160 N 5.53 0.00 -3.60 2.92 0.24 -0.35 -4.64 118.33 118.43 3hij n VAL 160 Ca -0.07 -0.46 -0.11 0.00 -2.04 0.00 0.00 64.34 61.67 3hij n VAL 160 Cb 0.47 1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 33.82 3hij n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hij s ALA 161 N -0.77 -1.15 0.00 2.33 0.00 -1.17 -1.36 121.76 119.63 3hij s ALA 161 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.04 3hij s ALA 161 Cb 0.00 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.92 3hij s ALA 161 CO 0.00 -0.73 0.00 1.51 0.00 0.00 0.00 175.76 176.54 3hij n ILE 162 N -0.31 0.00 -3.15 0.00 3.06 -0.14 -0.89 119.36 117.93 3hij n ILE 162 Ca -0.15 0.00 0.06 0.00 -2.50 0.00 0.00 62.75 60.16 3hij n ILE 162 Cb 0.64 0.00 -0.01 0.00 0.54 0.00 0.00 39.64 40.81 3hij n ILE 162 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3hij s ASP 164 N 1.00 -0.36 -0.37 9.51 -1.08 0.10 0.56 116.67 126.03 3hij s ASP 164 Ca 0.00 0.13 0.07 0.00 -0.52 0.00 0.00 52.55 52.23 3hij s ASP 164 Cb 0.00 1.26 0.68 0.00 -1.46 0.00 0.00 42.92 43.40 3hij s ASP 164 CO 0.00 -0.07 1.80 0.00 0.52 0.00 0.00 175.17 177.43 3hij n ALA 165 N 5.30 4.96 1.31 3.66 0.00 0.16 0.45 120.51 136.34 3hij n ALA 165 Ca 0.01 -2.70 0.12 0.00 0.00 0.00 0.00 53.44 50.87 3hij n ALA 165 Cb 0.56 -1.25 0.67 0.00 0.00 0.00 0.00 19.45 19.42 3hij n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hij n GLY 166 N -0.74 -1.00 2.48 0.00 0.00 -1.22 -4.59 105.19 100.13 3hij n GLY 166 Ca 0.48 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.37 3hij n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hij n GLY 167 N 0.73 0.40 2.86 -0.02 0.00 -1.26 -4.96 105.19 102.94 3hij n GLY 167 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3hij n GLY 167 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hij s ASP 168 N -2.12 3.73 0.17 1.61 -1.08 -1.26 -4.97 116.67 112.76 3hij s ASP 168 Ca 0.00 -1.26 0.26 0.00 -0.52 0.00 0.00 52.55 51.03 3hij s ASP 168 Cb 0.00 -1.01 0.91 0.00 -1.46 0.00 0.00 42.92 41.36 3hij s ASP 168 CO 0.00 -0.30 1.78 1.33 0.52 0.00 0.00 175.17 178.50 3hij n VAL 169 N 4.76 0.55 0.08 1.11 0.24 -1.26 -2.33 118.33 121.49 3hij n VAL 169 Ca -0.08 -0.12 -0.15 0.00 -2.04 0.00 0.00 64.34 61.95 3hij n VAL 169 Cb 0.44 -0.69 -0.08 0.00 -1.47 0.00 0.00 33.84 32.04 3hij n VAL 169 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3hij h LEU 170 N 0.00 0.52 -0.42 1.34 3.38 -1.99 -0.01 115.31 118.14 3hij h LEU 170 Ca 0.00 -0.47 -0.09 0.00 0.09 0.00 0.00 57.88 57.41 3hij h LEU 170 Cb 0.61 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3hij h LEU 170 CO 0.00 1.30 -0.08 0.71 0.09 0.00 0.00 178.44 180.46 3hij h THR 171 N 0.18 1.27 -0.67 0.22 1.35 -1.95 -2.49 112.91 110.81 3hij h THR 171 Ca -0.11 -1.17 0.13 0.00 -0.55 0.00 0.00 66.41 64.72 3hij h THR 171 Cb 1.74 1.17 -0.10 0.00 -1.73 0.00 0.00 68.15 69.24 3hij h THR 171 CO 0.18 0.40 0.17 0.24 -0.25 0.00 0.00 175.52 176.26 3hij h MET 172 N 0.62 0.29 -0.38 4.72 2.86 -1.45 -0.36 114.93 121.23 3hij h MET 172 Ca 0.11 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 3hij h MET 172 Cb 0.60 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 3hij h MET 172 CO 0.04 0.19 0.23 1.15 1.06 0.00 0.00 176.91 179.57 3hij h THR 173 N 0.30 1.05 -0.36 2.22 2.02 -0.81 -0.71 112.91 116.61 3hij h THR 173 Ca 0.37 -0.16 -0.10 0.00 0.77 0.00 0.00 66.41 67.29 3hij h THR 173 Cb 0.58 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3hij h THR 173 CO -0.44 0.08 -0.18 -0.08 0.37 0.00 0.00 175.52 175.28 3hij h GLU 174 N 0.46 0.66 -0.33 6.66 4.81 -0.89 -0.68 114.58 125.28 3hij h GLU 174 Ca 0.15 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 3hij h GLU 174 Cb -0.00 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3hij h GLU 174 CO -0.07 0.80 0.09 0.82 -0.73 0.00 0.00 179.01 179.92 3hij h ILE 175 N 0.59 1.22 -0.07 2.32 2.04 -0.53 -1.28 117.51 121.80 3hij h ILE 175 Ca 0.09 -0.71 0.03 0.00 1.00 0.00 0.00 64.86 65.27 3hij h ILE 175 Cb 0.63 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 3hij h ILE 175 CO 0.04 0.24 -0.14 0.40 0.00 0.00 0.00 178.15 178.69 3hij h ILE 176 N 0.37 0.63 -0.81 -0.67 2.04 -0.70 -1.35 117.51 117.02 3hij h ILE 176 Ca 0.10 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.93 3hij h ILE 176 Cb 0.28 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 3hij h ILE 176 CO -0.00 0.00 0.36 -0.08 0.00 0.00 0.00 178.15 178.43 3hij h GLU 177 N -0.20 1.19 0.00 2.37 4.81 -1.02 -3.19 114.58 118.54 3hij h GLU 177 Ca 0.07 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3hij h GLU 177 Cb 0.30 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.48 3hij h GLU 177 CO -0.19 0.93 -0.58 0.87 -0.73 0.00 0.00 179.01 179.32 3hij h LYS 178 N 1.17 0.00 -6.50 1.92 1.57 -0.99 -3.46 116.57 110.28 3hij h LYS 178 Ca 0.28 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.58 3hij h LYS 178 Cb 0.16 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.48 3hij h LYS 178 CO -0.03 0.00 -0.21 0.95 -0.57 0.00 0.00 179.45 179.59 3hij s THR 179 N -3.20 5.10 0.96 -0.16 -4.23 -0.53 -5.01 115.64 108.56 3hij s THR 179 Ca 0.05 -0.50 -0.10 0.00 -1.18 0.00 0.00 61.69 59.95 3hij s THR 179 Cb 0.12 -3.85 0.17 0.00 1.34 0.00 0.00 72.50 70.27 3hij s THR 179 CO 0.72 -0.54 1.13 0.00 -0.54 0.00 0.00 174.62 175.38 3hij s ALA 180 N -2.30 1.14 0.18 3.99 0.00 -1.26 -4.90 121.76 118.61 3hij s ALA 180 Ca 0.40 0.48 0.34 0.00 0.00 0.00 0.00 51.96 53.18 3hij s ALA 180 Cb -0.10 -3.42 1.46 0.00 0.00 0.00 0.00 23.12 21.06 3hij s ALA 180 CO 0.36 -2.96 2.02 -0.44 0.00 0.00 0.00 175.76 174.74 3hij h ASP 181 N -2.01 0.00 -0.31 0.00 3.32 -1.97 -1.88 116.42 113.56 3hij h ASP 181 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3hij h ASP 181 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3hij h ASP 181 CO 0.43 0.02 0.00 -0.90 -1.72 0.00 0.00 179.24 177.07 3hij n ASP 182 N -3.13 3.41 -4.38 6.45 5.75 -1.26 -4.72 116.55 118.67 3hij n ASP 182 Ca 0.00 -2.46 -0.40 0.00 -0.01 0.00 0.00 54.79 51.92 3hij n ASP 182 Cb 0.29 -0.57 -0.11 0.00 -1.03 0.00 0.00 41.12 39.69 3hij n ASP 182 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3hij s PHE 183 N -1.90 3.24 -0.15 2.11 5.36 -0.71 -4.89 117.98 121.05 3hij s PHE 183 Ca 0.29 -0.96 -0.26 0.00 -0.96 0.00 0.00 56.93 55.03 3hij s PHE 183 Cb 0.21 -2.44 -0.01 0.00 -0.34 0.00 0.00 43.02 40.44 3hij s PHE 183 CO 0.09 -0.64 0.88 0.00 -1.46 0.00 0.00 175.22 174.09 3hij s ALA 184 N 1.55 3.48 -0.28 11.12 0.00 -0.46 -4.93 121.76 132.24 3hij s ALA 184 Ca 0.02 0.14 -0.08 0.00 0.00 0.00 0.00 51.96 52.04 3hij s ALA 184 Cb -0.19 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 3hij s ALA 184 CO 0.07 -0.62 0.10 0.08 0.00 0.00 0.00 175.76 175.39 3hij s VAL 185 N 2.06 4.27 0.07 0.00 1.01 -1.26 -0.97 120.40 125.57 3hij s VAL 185 Ca 0.41 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.98 3hij s VAL 185 Cb -0.17 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 3hij s VAL 185 CO 0.14 0.16 0.07 -0.31 0.00 0.00 0.00 175.10 175.17 3hij s TYR 186 N 1.57 3.18 0.51 5.22 2.02 0.19 0.22 117.35 130.27 3hij s TYR 186 Ca 0.05 0.09 -0.19 0.00 -0.37 0.00 0.00 57.07 56.64 3hij s TYR 186 Cb -0.16 -1.63 -0.07 0.00 -0.40 0.00 0.00 41.96 39.69 3hij s TYR 186 CO 0.04 0.52 1.06 0.45 -1.57 0.00 0.00 175.55 176.05 3hij s SER 187 N -2.26 6.15 -0.01 2.29 0.15 0.52 0.01 113.70 120.55 3hij s SER 187 Ca 0.28 1.96 0.11 0.00 0.70 0.00 0.00 55.95 59.00 3hij s SER 187 Cb -0.12 -2.56 0.32 0.00 -1.71 0.00 0.00 66.02 61.95 3hij s SER 187 CO 0.20 -0.92 1.26 0.61 1.20 0.00 0.00 173.24 175.60 3hij n GLY 188 N -0.26 2.86 2.94 9.45 0.00 0.17 -1.58 105.19 118.77 3hij n GLY 188 Ca 0.10 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 3hij n GLY 188 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hij s ASP 189 N -1.07 3.09 0.22 1.61 1.01 -1.26 -4.68 116.67 115.59 3hij s ASP 189 Ca 0.24 -0.77 -0.08 0.00 0.71 0.00 0.00 52.55 52.65 3hij s ASP 189 Cb 0.14 -1.05 0.36 0.00 1.01 0.00 0.00 42.92 43.37 3hij s ASP 189 CO 0.15 -0.17 1.70 0.44 0.21 0.00 0.00 175.17 177.50 3hij h ASP 190 N 8.05 0.00 0.26 0.27 3.32 -1.92 -0.52 116.42 125.88 3hij h ASP 190 Ca -0.26 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 3hij h ASP 190 Cb 1.11 0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.82 3hij h ASP 190 CO 0.43 -0.01 -0.06 1.23 -1.72 0.00 0.00 179.24 179.11 3hij h GLY 191 N 0.27 0.00 -1.10 2.75 0.00 -1.94 -1.54 103.07 101.50 3hij h GLY 191 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 3hij h GLY 191 CO -0.45 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.13 3hij n LEU 192 N -3.59 1.87 -0.01 3.11 4.77 -0.21 -4.46 117.00 118.49 3hij n LEU 192 Ca -0.02 -0.85 -0.14 0.00 -0.03 0.00 0.00 56.01 54.97 3hij n LEU 192 Cb 0.18 -0.17 -0.09 0.00 -2.33 0.00 0.00 43.42 41.01 3hij n LEU 192 CO 0.28 0.43 0.53 0.74 -1.33 0.00 0.00 177.39 178.03 3hij h THR 193 N 2.29 0.04 0.18 -5.08 2.02 -1.27 0.48 112.91 111.58 3hij h THR 193 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3hij h THR 193 Cb 0.51 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3hij h THR 193 CO 0.00 0.00 -0.09 0.25 0.37 0.00 0.00 175.52 176.05 3hij h LEU 194 N -0.55 -0.21 -1.11 2.58 5.85 -1.82 0.03 115.31 120.08 3hij h LEU 194 Ca 0.05 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 3hij h LEU 194 Cb 0.67 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 3hij h LEU 194 CO -0.43 -0.07 0.08 1.55 -0.34 0.00 0.00 178.44 179.22 3hij h PRO 195 N -0.33 0.71 -0.55 5.25 0.13 -1.82 0.44 132.00 135.83 3hij h PRO 195 Ca -0.02 -0.15 -0.04 0.00 -0.87 0.00 0.00 66.00 64.92 3hij h PRO 195 Cb 0.25 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.26 3hij h PRO 195 CO 0.04 0.67 0.20 0.00 -0.23 0.00 0.00 178.00 178.68 3hij h ALA 196 N 1.41 0.72 -0.51 -0.56 0.00 0.25 -2.71 119.26 117.86 3hij h ALA 196 Ca 0.15 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3hij h ALA 196 Cb 0.31 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3hij h ALA 196 CO 0.00 0.36 0.00 0.52 0.00 0.00 0.00 179.25 180.14 3hij h MET 197 N 0.76 0.85 -0.66 0.00 2.86 -0.64 -0.63 114.93 117.48 3hij h MET 197 Ca 0.18 -0.24 0.14 0.00 -2.06 0.00 0.00 59.70 57.73 3hij h MET 197 Cb 0.24 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.77 3hij h MET 197 CO -0.01 0.85 0.45 0.00 1.06 0.00 0.00 176.91 179.26 3hij h ALA 198 N 1.21 2.21 -0.02 6.32 0.00 -0.61 -0.16 119.26 128.20 3hij h ALA 198 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hij h ALA 198 Cb 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3hij h ALA 198 CO 0.02 -0.38 -0.02 1.33 0.00 0.00 0.00 179.25 180.20 3hij n VAL 199 N -4.45 0.00 0.00 0.00 0.24 -0.88 -4.95 118.33 108.30 3hij n VAL 199 Ca 0.12 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 3hij n VAL 199 Cb 0.52 0.97 0.00 0.00 -1.47 0.00 0.00 33.84 33.86 3hij n VAL 199 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hij n GLY 200 N 1.27 1.29 3.75 7.63 0.00 -0.07 -4.87 105.19 114.18 3hij n GLY 200 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 3hij n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hij s ALA 201 N -2.00 2.46 -0.18 4.61 0.00 -0.30 -4.83 121.76 121.51 3hij s ALA 201 Ca 0.00 0.90 0.18 0.00 0.00 0.00 0.00 51.96 53.05 3hij s ALA 201 Cb 0.00 -3.43 0.26 0.00 0.00 0.00 0.00 23.12 19.95 3hij s ALA 201 CO 0.00 -1.30 1.54 -0.22 0.00 0.00 0.00 175.76 175.78 3hij h LYS 202 N 0.54 0.00 0.00 0.00 3.64 -0.56 -3.40 116.57 116.79 3hij h LYS 202 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3hij h LYS 202 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3hij h LYS 202 CO 0.54 0.34 0.00 0.41 -2.27 0.00 0.00 179.45 178.47 3hij n GLY 203 N 1.03 -0.53 3.02 5.01 0.00 -1.25 -4.51 105.19 107.95 3hij n GLY 203 Ca 0.02 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 3hij n GLY 203 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hij s ILE 204 N -4.00 0.86 -0.41 -0.61 1.10 -0.16 -0.35 121.20 117.62 3hij s ILE 204 Ca 0.00 -0.41 -0.20 0.00 -0.51 0.00 0.00 60.65 59.53 3hij s ILE 204 Cb 0.00 -0.76 0.02 0.00 0.15 0.00 0.00 42.46 41.87 3hij s ILE 204 CO 0.00 0.26 0.63 -0.69 -2.11 0.00 0.00 174.94 173.04 3hij s VAL 205 N 0.15 4.85 0.17 4.00 1.01 -0.62 -1.25 120.40 128.71 3hij s VAL 205 Ca -0.03 0.23 0.09 0.00 0.00 0.00 0.00 61.98 62.27 3hij s VAL 205 Cb -0.09 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 3hij s VAL 205 CO 0.01 -0.51 -0.10 -0.55 0.00 0.00 0.00 175.10 173.95 3hij s SER 206 N 1.94 4.26 -0.13 3.32 0.15 0.14 -4.48 113.70 118.91 3hij s SER 206 Ca 0.23 -0.56 0.01 0.00 0.70 0.00 0.00 55.95 56.32 3hij s SER 206 Cb -0.14 -0.73 -0.08 0.00 -1.71 0.00 0.00 66.02 63.36 3hij s SER 206 CO 0.18 0.11 -0.12 0.52 1.20 0.00 0.00 173.24 175.13 3hij n VAL 207 N 0.10 0.74 0.26 4.45 0.31 -1.26 -0.88 118.33 122.04 3hij n VAL 207 Ca -0.11 -0.28 0.12 0.00 -0.01 0.00 0.00 64.34 64.06 3hij n VAL 207 Cb 0.55 -1.00 0.69 0.00 -0.91 0.00 0.00 33.84 33.18 3hij n VAL 207 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hij h ALA 208 N -0.03 1.33 0.00 3.52 0.00 -1.97 -1.76 119.26 120.35 3hij h ALA 208 Ca -0.29 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3hij h ALA 208 Cb 1.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3hij h ALA 208 CO -0.05 0.16 0.01 -1.13 0.00 0.00 0.00 179.25 178.24 3hij n SER 209 N -3.72 0.18 0.11 0.00 3.41 -1.26 -0.92 113.62 111.42 3hij n SER 209 Ca -0.02 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 3hij n SER 209 Cb 0.24 -0.60 0.30 0.00 -0.26 0.00 0.00 64.21 63.89 3hij n SER 209 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3hij h HIS 210 N 0.00 0.24 0.00 7.33 3.86 -1.65 -2.85 115.15 122.09 3hij h HIS 210 Ca 0.00 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 3hij h HIS 210 Cb 0.02 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.42 3hij h HIS 210 CO 0.00 0.50 -1.17 1.33 0.86 0.00 0.00 177.93 179.45 3hij n VAL 211 N -4.13 0.05 -2.44 2.45 0.24 -0.27 -4.79 118.33 109.43 3hij n VAL 211 Ca -0.01 -0.09 -0.06 0.00 -2.04 0.00 0.00 64.34 62.14 3hij n VAL 211 Cb 0.39 0.15 0.05 0.00 -1.47 0.00 0.00 33.84 32.96 3hij n VAL 211 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3hij n ILE 212 N -1.72 1.52 -0.19 1.34 -5.35 -0.10 -4.89 119.36 109.97 3hij n ILE 212 Ca -0.02 -3.02 -0.00 0.00 -0.27 0.00 0.00 62.75 59.44 3hij n ILE 212 Cb 0.20 0.42 0.08 0.00 -1.74 0.00 0.00 39.64 38.60 3hij n ILE 212 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3hij h GLY 213 N 2.09 0.59 0.90 3.28 0.00 -1.65 -1.37 103.07 106.92 3hij h GLY 213 Ca 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 3hij h GLY 213 CO 0.32 -0.17 -0.05 3.43 0.00 0.00 0.00 176.54 180.07 3hij h ASN 214 N 0.11 0.59 -0.97 0.19 2.35 -1.86 -0.83 115.58 115.16 3hij h ASN 214 Ca 0.29 -0.34 0.06 0.00 -0.55 0.00 0.00 56.30 55.76 3hij h ASN 214 Cb 0.46 -0.16 -0.06 0.00 0.05 0.00 0.00 38.32 38.61 3hij h ASN 214 CO -0.49 0.79 0.63 -0.33 -1.65 0.00 0.00 177.43 176.39 3hij h GLU 215 N 0.37 1.13 -0.58 0.81 3.07 -1.86 -0.79 114.58 116.72 3hij h GLU 215 Ca 0.08 -0.07 -0.09 0.00 -0.50 0.00 0.00 59.36 58.78 3hij h GLU 215 Cb 0.52 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 3hij h GLU 215 CO 0.03 0.75 0.00 0.52 -1.40 0.00 0.00 179.01 178.90 3hij h MET 216 N 1.16 1.03 -0.44 2.33 2.86 -0.78 0.23 114.93 121.32 3hij h MET 216 Ca 0.41 -0.33 -0.09 0.00 -2.06 0.00 0.00 59.70 57.63 3hij h MET 216 Cb 0.12 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 3hij h MET 216 CO -0.15 1.01 -0.10 1.96 1.06 0.00 0.00 176.91 180.69 3hij h GLN 217 N 0.92 0.80 -0.41 1.72 1.08 -0.49 -0.84 115.11 117.88 3hij h GLN 217 Ca 0.17 -0.26 -0.02 0.00 -1.45 0.00 0.00 58.65 57.08 3hij h GLN 217 Cb 0.55 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 3hij h GLN 217 CO 0.03 0.87 0.19 1.49 -0.95 0.00 0.00 178.83 180.46 3hij h GLU 218 N 0.72 0.60 -0.00 1.46 4.81 -0.72 -1.04 114.58 120.42 3hij h GLU 218 Ca 0.12 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3hij h GLU 218 Cb 0.59 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 3hij h GLU 218 CO 0.04 0.54 -0.09 1.98 -0.73 0.00 0.00 179.01 180.74 3hij h MET 219 N 0.53 -0.16 -0.60 1.92 4.05 -0.09 0.56 114.93 121.14 3hij h MET 219 Ca 0.14 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.56 3hij h MET 219 Cb 0.14 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.95 3hij h MET 219 CO -0.02 -0.10 0.34 0.82 0.23 0.00 0.00 176.91 178.18 3hij h ILE 220 N -0.16 1.19 -0.39 1.77 2.04 -1.05 -0.19 117.51 120.71 3hij h ILE 220 Ca 0.04 -0.46 -0.12 0.00 1.00 0.00 0.00 64.86 65.32 3hij h ILE 220 Cb 0.21 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 3hij h ILE 220 CO -0.10 0.20 -0.22 0.00 0.00 0.00 0.00 178.15 178.04 3hij h ALA 221 N 1.17 0.55 -0.01 1.87 0.00 -0.80 -1.40 119.26 120.64 3hij h ALA 221 Ca 0.21 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3hij h ALA 221 Cb 0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3hij h ALA 221 CO -0.04 0.53 -0.15 0.00 0.00 0.00 0.00 179.25 179.59 3hij h ALA 222 N 0.80 -0.17 -0.27 0.00 0.00 -0.67 -2.03 119.26 116.91 3hij h ALA 222 Ca 0.08 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3hij h ALA 222 Cb 0.78 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 3hij h ALA 222 CO 0.06 -0.64 0.02 0.35 0.00 0.00 0.00 179.25 179.04 3hij h PHE 223 N -0.25 0.02 -0.11 0.00 3.57 -0.85 0.39 116.94 119.71 3hij h PHE 223 Ca 0.05 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.60 3hij h PHE 223 Cb 0.32 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 3hij h PHE 223 CO -0.21 -0.03 0.08 1.96 -2.23 0.00 0.00 178.31 177.88 3hij h GLN 224 N 0.10 0.00 0.00 1.11 4.20 -1.11 0.15 115.11 119.56 3hij h GLN 224 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3hij h GLN 224 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3hij h GLN 224 CO -0.20 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 177.96 3hij n ALA 225 N -2.54 2.31 -1.08 3.87 0.00 -0.78 -4.90 120.51 117.38 3hij n ALA 225 Ca -0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 53.44 53.30 3hij n ALA 225 Cb 0.20 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.18 3hij n ALA 225 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hij n GLY 226 N 1.29 0.61 3.27 0.00 0.00 0.52 -4.97 105.19 105.91 3hij n GLY 226 Ca 0.09 -0.85 -0.44 0.00 0.00 0.00 0.00 46.02 44.82 3hij n GLY 226 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hij n GLU 227 N -2.86 3.47 -0.12 1.61 1.02 0.08 -4.86 120.64 118.97 3hij n GLU 227 Ca -0.03 -3.79 -0.09 0.00 -0.02 0.00 0.00 57.16 53.23 3hij n GLU 227 Cb 0.10 -2.98 -0.01 0.00 -0.02 0.00 0.00 31.44 28.53 3hij n GLU 227 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 3hij h PHE 228 N 6.66 0.55 -0.59 -0.32 0.04 -1.89 -0.87 116.94 120.52 3hij h PHE 228 Ca 0.33 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 61.05 3hij h PHE 228 Cb 0.79 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.75 3hij h PHE 228 CO 1.13 0.49 0.29 -0.22 -0.60 0.00 0.00 178.31 179.40 3hij h LYS 229 N 0.45 0.85 -0.59 1.51 3.64 -1.97 0.21 116.57 120.67 3hij h LYS 229 Ca 0.12 -0.12 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 3hij h LYS 229 Cb 0.16 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3hij h LYS 229 CO -0.01 0.68 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.61 3hij h LYS 230 N 0.80 1.05 -0.65 1.90 3.64 -1.91 -2.22 116.57 119.18 3hij h LYS 230 Ca 0.20 -0.34 -0.09 0.00 -1.27 0.00 0.00 60.65 59.16 3hij h LYS 230 Cb 0.11 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3hij h LYS 230 CO -0.03 1.04 0.07 0.00 -2.27 0.00 0.00 179.45 178.26 3hij h ALA 231 N 1.01 0.90 -0.59 5.00 0.00 -0.69 -2.84 119.26 122.05 3hij h ALA 231 Ca 0.17 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3hij h ALA 231 Cb 0.58 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3hij h ALA 231 CO 0.03 0.67 0.03 1.96 0.00 0.00 0.00 179.25 181.94 3hij h GLN 232 N 1.01 0.99 -0.49 0.00 4.20 -0.38 0.02 115.11 120.46 3hij h GLN 232 Ca 0.19 -0.28 -0.09 0.00 0.06 0.00 0.00 58.65 58.53 3hij h GLN 232 Cb 0.48 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 3hij h GLN 232 CO 0.02 0.95 -0.06 -0.22 -0.67 0.00 0.00 178.83 178.86 3hij h LYS 233 N 0.92 0.86 -0.04 1.46 3.64 -1.25 -0.20 116.57 121.95 3hij h LYS 233 Ca 0.17 -0.27 -0.17 0.00 -1.27 0.00 0.00 60.65 59.11 3hij h LYS 233 Cb 0.49 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 3hij h LYS 233 CO 0.02 0.90 -0.74 -0.07 -2.27 0.00 0.00 179.45 177.29 3hij h LEU 234 N 0.79 0.32 -0.79 5.20 3.38 -1.34 -2.73 115.31 120.14 3hij h LEU 234 Ca 0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3hij h LEU 234 Cb 0.55 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 3hij h LEU 234 CO 0.03 0.94 0.45 -0.74 0.09 0.00 0.00 178.44 179.22 3hij h HIS 235 N 0.18 1.06 -0.96 1.13 2.76 -0.58 -0.59 115.15 118.15 3hij h HIS 235 Ca -0.03 -0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.15 3hij h HIS 235 Cb 1.30 -0.34 -0.05 0.00 1.55 0.00 0.00 27.41 29.87 3hij h HIS 235 CO 0.03 0.73 0.63 1.96 -1.30 0.00 0.00 177.93 179.99 3hij h GLN 236 N 1.09 1.22 -0.38 5.26 4.20 -0.78 0.32 115.11 126.04 3hij h GLN 236 Ca 0.28 -0.07 -0.12 0.00 0.06 0.00 0.00 58.65 58.79 3hij h GLN 236 Cb 0.00 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.50 3hij h GLN 236 CO -0.05 0.81 -0.23 1.25 -0.67 0.00 0.00 178.83 179.94 3hij h LEU 237 N 1.26 0.86 -0.28 1.46 5.85 -1.19 -1.71 115.31 121.55 3hij h LEU 237 Ca 0.37 -0.42 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 3hij h LEU 237 Cb -0.07 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 3hij h LEU 237 CO -0.10 1.10 0.16 0.25 -0.34 0.00 0.00 178.44 179.51 3hij h LEU 238 N 0.62 0.35 -0.48 2.25 5.85 -0.31 0.73 115.31 124.33 3hij h LEU 238 Ca 0.08 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3hij h LEU 238 Cb 0.80 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 3hij h LEU 238 CO 0.07 0.33 0.19 0.58 -0.34 0.00 0.00 178.44 179.27 3hij h VAL 239 N 0.35 1.21 -0.21 1.05 2.07 -0.94 0.14 116.25 119.91 3hij h VAL 239 Ca 0.10 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 3hij h VAL 239 Cb 0.05 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3hij h VAL 239 CO -0.02 0.24 0.05 -0.09 0.02 0.00 0.00 177.57 177.78 3hij h ARG 240 N 0.64 0.34 -0.26 1.57 2.43 -0.88 -1.01 114.38 117.20 3hij h ARG 240 Ca 0.16 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3hij h ARG 240 Cb 0.19 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3hij h ARG 240 CO -0.01 0.45 0.01 0.28 -1.51 0.00 0.00 179.97 179.19 3hij h VAL 241 N 0.16 1.25 -0.57 0.20 2.07 -0.72 -2.54 116.25 116.10 3hij h VAL 241 Ca 0.07 -0.89 0.10 0.00 0.82 0.00 0.00 66.70 66.80 3hij h VAL 241 Cb 0.27 1.32 -0.08 0.00 -1.52 0.00 0.00 31.29 31.28 3hij h VAL 241 CO 0.00 0.28 0.12 0.74 0.02 0.00 0.00 177.57 178.73 3hij h THR 242 N 0.24 0.66 -0.74 2.57 2.02 -0.59 -1.08 112.91 115.99 3hij h THR 242 Ca 0.08 -0.09 0.08 0.00 0.77 0.00 0.00 66.41 67.25 3hij h THR 242 Cb 0.40 0.39 -0.07 0.00 -1.74 0.00 0.00 68.15 67.14 3hij h THR 242 CO 0.01 0.05 0.41 0.44 0.37 0.00 0.00 175.52 176.79 3hij h ASP 243 N 0.25 0.57 0.77 4.18 3.32 -1.01 -0.46 116.42 124.04 3hij h ASP 243 Ca 0.30 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.34 3hij h ASP 243 Cb 0.43 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3hij h ASP 243 CO -0.38 0.34 -0.27 0.77 -1.72 0.00 0.00 179.24 177.98 3hij h SER 244 N 0.70 0.00 0.57 6.45 4.64 -0.81 -2.49 113.55 122.60 3hij h SER 244 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3hij h SER 244 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3hij h SER 244 CO -0.23 0.27 0.00 0.18 -0.87 0.00 0.00 176.83 176.17 3hij n LEU 245 N -3.52 0.00 -0.55 5.97 4.77 -0.20 -3.14 117.00 120.33 3hij n LEU 245 Ca -0.00 0.31 0.06 0.00 -0.03 0.00 0.00 56.01 56.35 3hij n LEU 245 Cb 0.42 -0.31 0.14 0.00 -2.33 0.00 0.00 43.42 41.34 3hij n LEU 245 CO 0.34 -0.03 0.37 0.49 -1.33 0.00 0.00 177.39 177.23 3hij n PHE 246 N -1.31 0.00 0.27 -1.77 3.72 -0.94 -4.37 117.46 113.05 3hij n PHE 246 Ca 0.12 -1.06 0.15 0.00 -0.05 0.00 0.00 57.45 56.62 3hij n PHE 246 Cb 0.23 -0.19 0.73 0.00 -0.94 0.00 0.00 39.48 39.31 3hij n PHE 246 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hij h MET 247 N 0.59 0.00 -4.26 -1.08 -0.00 -1.51 -3.44 114.93 105.22 3hij h MET 247 Ca -0.03 0.00 -0.16 0.00 -0.00 0.00 0.00 59.70 59.51 3hij h MET 247 Cb 1.17 0.00 -0.14 0.00 -0.00 0.00 0.00 31.60 32.63 3hij h MET 247 CO 0.01 0.08 -0.53 0.00 -0.00 0.00 0.00 176.91 176.47 3hij s ALA 248 N -3.87 0.61 0.17 -3.00 0.00 -1.26 -5.11 121.76 109.30 3hij s ALA 248 Ca -0.01 -1.31 -0.33 0.00 0.00 0.00 0.00 51.96 50.31 3hij s ALA 248 Cb 0.11 0.93 -0.14 0.00 0.00 0.00 0.00 23.12 24.03 3hij s ALA 248 CO 0.55 -0.56 1.59 -2.30 0.00 0.00 0.00 175.76 175.05 3hij n PRO 249 N -0.16 2.25 -2.63 0.00 -0.02 -1.26 -4.66 135.00 128.52 3hij n PRO 249 Ca -0.05 0.81 -0.38 0.00 -2.02 0.00 0.00 63.50 61.86 3hij n PRO 249 Cb 0.64 -2.59 -0.05 0.00 -0.02 0.00 0.00 33.50 31.48 3hij n PRO 249 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3hij s SER 250 N 0.91 7.13 -0.19 2.55 0.15 -1.26 -2.58 113.70 120.41 3hij s SER 250 Ca 0.77 2.00 0.16 0.00 0.70 0.00 0.00 55.95 59.59 3hij s SER 250 Cb -0.65 -2.59 0.75 0.00 -1.71 0.00 0.00 66.02 61.82 3hij s SER 250 CO 0.38 -0.23 1.67 -0.81 1.20 0.00 0.00 173.24 175.45 3hij n PRO 251 N 0.51 4.30 -0.28 5.44 -0.04 -1.26 -4.94 135.00 138.73 3hij n PRO 251 Ca 0.02 -3.03 0.02 0.00 -0.04 0.00 0.00 63.50 60.47 3hij n PRO 251 Cb 0.49 -2.09 0.16 0.00 -0.04 0.00 0.00 33.50 32.01 3hij n PRO 251 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3hij h THR 252 N 3.74 0.92 -0.38 0.52 2.02 -1.82 0.05 112.91 117.97 3hij h THR 252 Ca 0.00 -0.27 -0.07 0.00 0.77 0.00 0.00 66.41 66.84 3hij h THR 252 Cb 1.74 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 3hij h THR 252 CO 0.38 0.14 -0.03 -0.65 0.37 0.00 0.00 175.52 175.73 3hij h PRO 253 N 0.79 0.69 -0.63 6.66 0.11 -1.77 -0.17 132.00 137.68 3hij h PRO 253 Ca 0.38 -0.24 -0.07 0.00 0.11 0.00 0.00 66.00 66.18 3hij h PRO 253 Cb 0.32 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 3hij h PRO 253 CO -0.23 0.81 0.10 -0.24 -0.21 0.00 0.00 178.00 178.23 3hij h VAL 254 N 0.51 1.26 -0.78 3.15 3.04 -1.64 0.30 116.25 122.10 3hij h VAL 254 Ca 0.10 -1.02 0.10 0.00 -1.01 0.00 0.00 66.70 64.88 3hij h VAL 254 Cb 0.52 0.69 -0.05 0.00 -2.01 0.00 0.00 31.29 30.44 3hij h VAL 254 CO 0.03 0.38 0.51 0.11 -1.01 0.00 0.00 177.57 177.58 3hij h LYS 255 N 0.96 0.65 -0.12 4.17 1.57 -0.94 -0.09 116.57 122.77 3hij h LYS 255 Ca 0.19 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.70 3hij h LYS 255 Cb 0.43 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.61 3hij h LYS 255 CO 0.01 0.43 -0.83 1.15 -0.57 0.00 0.00 179.45 179.64 3hij h THR 256 N 0.67 1.28 -0.66 -0.16 2.02 0.08 -2.75 112.91 113.38 3hij h THR 256 Ca 0.36 -2.03 -0.06 0.00 0.77 0.00 0.00 66.41 65.46 3hij h THR 256 Cb 0.51 2.07 -0.03 0.00 -1.74 0.00 0.00 68.15 68.96 3hij h THR 256 CO -0.14 0.64 0.19 0.00 0.37 0.00 0.00 175.52 176.58 3hij h ALA 257 N 0.51 1.08 -0.19 6.16 0.00 -0.08 -0.89 119.26 125.86 3hij h ALA 257 Ca -0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hij h ALA 257 Cb 1.47 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3hij h ALA 257 CO 0.17 0.62 0.11 -0.07 0.00 0.00 0.00 179.25 180.08 3hij h LEU 258 N 0.99 0.23 -0.63 0.00 3.38 -1.05 -2.01 115.31 116.22 3hij h LEU 258 Ca 0.21 -0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.22 3hij h LEU 258 Cb 0.31 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 3hij h LEU 258 CO -0.00 0.22 0.24 -0.61 0.09 0.00 0.00 178.44 178.37 3hij h GLN 259 N 0.21 0.41 0.00 1.13 4.15 -1.06 -1.39 115.11 118.57 3hij h GLN 259 Ca 0.07 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 3hij h GLN 259 Cb 0.04 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.64 3hij h GLN 259 CO -0.01 0.27 -0.01 0.52 -1.93 0.00 0.00 178.83 177.67 3hij h MET 260 N 0.42 0.00 -0.63 1.69 2.86 -0.48 -2.22 114.93 116.56 3hij h MET 260 Ca 0.32 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.84 3hij h MET 260 Cb 0.41 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.99 3hij h MET 260 CO -0.32 0.01 0.14 1.33 1.06 0.00 0.00 176.91 179.14 3hij n VAL 261 N -3.78 2.83 -0.30 -2.22 0.24 -0.62 -4.95 118.33 109.53 3hij n VAL 261 Ca -0.03 -1.61 0.00 0.00 -2.04 0.00 0.00 64.34 60.66 3hij n VAL 261 Cb 0.09 -0.32 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 3hij n VAL 261 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hij n GLY 262 N 0.07 0.69 2.85 7.63 0.00 -0.84 -5.03 105.19 110.56 3hij n GLY 262 Ca 0.35 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.09 3hij n GLY 262 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hij n LEU 263 N 0.00 2.73 -4.65 0.99 0.00 -0.64 -5.00 117.00 110.44 3hij n LEU 263 Ca 0.00 -5.14 -0.42 0.00 0.00 0.00 0.00 56.01 50.44 3hij n LEU 263 Cb 0.00 -0.64 -0.03 0.00 0.00 0.00 0.00 43.42 42.75 3hij n LEU 263 CO 0.00 1.77 1.38 -0.62 0.00 0.00 0.00 177.39 179.92 3hij s ASP 264 N -1.35 6.56 -0.08 1.96 -1.08 -1.26 -3.19 116.67 118.23 3hij s ASP 264 Ca 0.26 2.07 0.11 0.00 -0.52 0.00 0.00 52.55 54.47 3hij s ASP 264 Cb -0.03 -2.53 0.21 0.00 -1.46 0.00 0.00 42.92 39.11 3hij s ASP 264 CO -0.17 -1.04 1.13 1.33 0.52 0.00 0.00 175.17 176.94 3hij n VAL 265 N 5.78 1.53 -2.09 1.11 0.24 -1.26 -4.98 118.33 118.67 3hij n VAL 265 Ca 0.18 -1.66 0.00 0.00 -2.04 0.00 0.00 64.34 60.82 3hij n VAL 265 Cb 0.43 0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 3hij n VAL 265 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hij n GLY 266 N -0.83 -1.61 0.00 7.63 0.00 -1.24 -0.20 105.19 108.94 3hij n GLY 266 Ca 0.10 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3hij n GLY 266 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hij n SER 267 N 0.03 0.75 -4.49 1.61 2.88 -1.26 -4.81 113.62 108.33 3hij n SER 267 Ca 0.00 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.31 3hij n SER 267 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 3hij n SER 267 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3hij s VAL 268 N 1.77 1.64 0.01 2.46 -7.23 -1.26 -4.55 120.40 113.25 3hij s VAL 268 Ca 0.00 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.11 3hij s VAL 268 Cb 0.00 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 3hij s VAL 268 CO 0.00 -0.12 0.08 -0.13 -0.31 0.00 0.00 175.10 174.61 3hij s ARG 269 N -3.76 3.01 0.30 4.82 0.52 -1.26 -4.89 118.95 117.69 3hij s ARG 269 Ca 0.33 -0.53 -0.29 0.00 -0.52 0.00 0.00 55.73 54.72 3hij s ARG 269 Cb 0.07 -2.82 -0.13 0.00 0.52 0.00 0.00 34.95 32.59 3hij s ARG 269 CO 0.15 0.63 1.37 1.28 0.02 0.00 0.00 175.30 178.75 3hij n LEU 270 N 1.06 3.47 -0.62 2.53 4.77 -1.26 -1.09 117.00 125.86 3hij n LEU 270 Ca -0.12 1.18 0.07 0.00 -0.03 0.00 0.00 56.01 57.11 3hij n LEU 270 Cb 0.52 -1.47 0.23 0.00 -2.33 0.00 0.00 43.42 40.37 3hij n LEU 270 CO 0.39 -0.42 0.68 -0.81 -1.33 0.00 0.00 177.39 175.91 3hij n PRO 271 N 1.29 1.79 -2.92 3.23 -0.04 -1.26 -4.94 135.00 132.14 3hij n PRO 271 Ca 0.08 -1.21 -0.33 0.00 -0.04 0.00 0.00 63.50 62.00 3hij n PRO 271 Cb 0.34 -1.32 -0.07 0.00 -0.04 0.00 0.00 33.50 32.42 3hij n PRO 271 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hij s LEU 272 N -1.20 3.98 0.15 1.53 1.43 -0.25 -5.09 118.68 119.23 3hij s LEU 272 Ca 0.27 1.55 0.08 0.00 -1.03 0.00 0.00 54.13 54.99 3hij s LEU 272 Cb 0.14 -4.38 -0.04 0.00 0.03 0.00 0.00 46.19 41.94 3hij s LEU 272 CO 0.20 -0.31 -0.17 -0.76 0.23 0.00 0.00 176.35 175.53 3hij s LEU 273 N -3.13 2.42 0.76 1.79 1.43 -1.26 -4.40 118.68 116.29 3hij s LEU 273 Ca 0.59 -0.84 -0.15 0.00 -1.03 0.00 0.00 54.13 52.70 3hij s LEU 273 Cb -0.09 -0.76 0.02 0.00 0.03 0.00 0.00 46.19 45.39 3hij s LEU 273 CO 0.15 -0.06 0.93 -2.65 0.23 0.00 0.00 176.35 174.95 3hij n PRO 274 N 0.40 0.34 -1.87 1.29 -0.02 -1.26 -4.90 135.00 128.98 3hij n PRO 274 Ca -0.14 0.17 -0.38 0.00 -2.02 0.00 0.00 63.50 61.13 3hij n PRO 274 Cb 0.57 -2.20 0.03 0.00 -0.02 0.00 0.00 33.50 31.88 3hij n PRO 274 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hij s LEU 275 N -3.22 3.92 0.76 2.45 1.02 -1.26 -4.99 118.68 117.36 3hij s LEU 275 Ca 0.71 2.71 -0.13 0.00 0.02 0.00 0.00 54.13 57.44 3hij s LEU 275 Cb -0.32 -4.21 0.06 0.00 0.02 0.00 0.00 46.19 41.73 3hij s LEU 275 CO 0.53 -1.39 1.16 0.42 0.02 0.00 0.00 176.35 177.08 3hij s THR 276 N -1.33 2.58 0.21 5.49 -4.23 -1.26 -4.82 115.64 112.29 3hij s THR 276 Ca 0.68 0.25 -0.20 0.00 -1.18 0.00 0.00 61.69 61.24 3hij s THR 276 Cb -0.39 -2.68 0.18 0.00 1.34 0.00 0.00 72.50 70.95 3hij s THR 276 CO 0.47 -0.19 1.56 -0.08 -0.54 0.00 0.00 174.62 175.84 3hij h GLU 277 N -0.69 -0.06 0.00 3.99 4.57 -1.99 0.83 114.58 121.23 3hij h GLU 277 Ca -0.46 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.70 3hij h GLU 277 Cb 1.27 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.87 3hij h GLU 277 CO 0.49 -0.04 -0.13 1.49 -1.18 0.00 0.00 179.01 179.64 3hij h GLU 278 N -0.06 0.00 -0.12 1.92 4.57 -2.00 -1.47 114.58 117.42 3hij h GLU 278 Ca 0.29 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.33 3hij h GLU 278 Cb 0.57 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.17 3hij h GLU 278 CO -0.88 0.13 -0.50 0.93 -1.18 0.00 0.00 179.01 177.51 3hij h GLU 279 N 0.00 0.55 -0.62 1.92 5.08 -1.41 -2.06 114.58 118.05 3hij h GLU 279 Ca -0.00 -0.43 0.08 0.00 -1.00 0.00 0.00 59.36 58.00 3hij h GLU 279 Cb 0.23 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 3hij h GLU 279 CO 0.02 1.06 0.29 -0.09 -1.00 0.00 0.00 179.01 179.28 3hij h ARG 280 N 0.17 0.51 -0.51 2.33 2.43 -0.55 0.04 114.38 118.79 3hij h ARG 280 Ca -0.03 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 3hij h ARG 280 Cb 1.14 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 3hij h ARG 280 CO 0.10 0.33 0.01 0.28 -1.51 0.00 0.00 179.97 179.19 3hij h VAL 281 N 0.52 1.26 -0.59 0.20 2.07 -1.23 0.14 116.25 118.62 3hij h VAL 281 Ca 0.30 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.76 3hij h VAL 281 Cb 0.29 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3hij h VAL 281 CO -0.24 0.38 0.38 0.74 0.02 0.00 0.00 177.57 178.85 3hij h THR 282 N 0.76 1.16 -0.26 2.57 2.02 -0.97 -2.34 112.91 115.85 3hij h THR 282 Ca 0.15 -0.31 -0.08 0.00 0.77 0.00 0.00 66.41 66.94 3hij h THR 282 Cb 0.50 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 3hij h THR 282 CO 0.02 0.16 -0.13 0.25 0.37 0.00 0.00 175.52 176.18 3hij h LEU 283 N 0.80 0.58 -0.98 2.58 5.85 -0.29 -2.87 115.31 120.98 3hij h LEU 283 Ca 0.22 -0.41 0.08 0.00 0.84 0.00 0.00 57.88 58.60 3hij h LEU 283 Cb -0.07 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 40.73 3hij h LEU 283 CO -0.05 0.86 0.62 -0.61 -0.34 0.00 0.00 178.44 178.93 3hij h GLN 284 N 0.29 1.07 0.27 1.25 5.75 -0.72 0.11 115.11 123.12 3hij h GLN 284 Ca 0.06 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 3hij h GLN 284 Cb 0.65 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.95 3hij h GLN 284 CO 0.04 0.71 -0.19 0.77 -2.65 0.00 0.00 178.83 177.50 3hij h SER 285 N 1.10 -0.49 -0.59 -0.69 0.02 -1.21 0.21 113.55 111.89 3hij h SER 285 Ca 0.44 0.04 0.08 0.00 -0.84 0.00 0.00 61.79 61.50 3hij h SER 285 Cb 0.24 0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.88 3hij h SER 285 CO -0.20 -0.30 0.26 0.58 -1.14 0.00 0.00 176.83 176.03 3hij h VAL 286 N -0.46 0.84 -0.53 2.27 2.07 -1.24 0.44 116.25 119.64 3hij h VAL 286 Ca -0.02 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.37 3hij h VAL 286 Cb 0.40 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 3hij h VAL 286 CO 0.00 0.09 0.31 0.24 0.02 0.00 0.00 177.57 178.22 3hij h MET 287 N 0.47 0.59 0.00 1.57 2.07 -0.43 -0.73 114.93 118.47 3hij h MET 287 Ca 0.29 -0.04 -0.01 0.00 -2.07 0.00 0.00 59.70 57.87 3hij h MET 287 Cb 0.30 -0.13 -0.00 0.00 -1.87 0.00 0.00 31.60 29.89 3hij h MET 287 CO -0.25 0.39 -0.05 1.96 1.07 0.00 0.00 176.91 180.03 3hij h GLN 288 N 0.61 0.00 0.00 1.72 4.20 0.07 -2.36 115.11 119.35 3hij h GLN 288 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3hij h GLN 288 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 3hij h GLN 288 CO -0.11 0.05 0.00 -1.13 -0.67 0.00 0.00 178.83 176.97 3hij n SER 289 N -3.27 0.00 -4.69 1.46 3.41 0.08 -4.85 113.62 105.76 3hij n SER 289 Ca -0.01 0.48 -0.42 0.00 -0.26 0.00 0.00 58.87 58.66 3hij n SER 289 Cb 0.22 -0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 63.65 3hij n SER 289 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hij s ILE 290 N -2.99 3.96 0.18 -1.33 1.01 -0.89 -4.96 121.20 116.18 3hij s ILE 290 Ca 0.11 1.34 -0.33 0.00 0.00 0.00 0.00 60.65 61.77 3hij s ILE 290 Cb 0.15 -3.86 -0.14 0.00 0.01 0.00 0.00 42.46 38.62 3hij s ILE 290 CO 0.42 0.02 1.46 -2.65 0.00 0.00 0.00 174.94 174.19 3hij n PRO 291 N 4.97 1.90 0.00 2.79 -0.02 -1.26 -5.10 135.00 138.28 3hij n PRO 291 Ca 0.11 0.68 0.06 0.00 -2.02 0.00 0.00 63.50 62.33 3hij n PRO 291 Cb 0.45 -2.38 0.05 0.00 -0.02 0.00 0.00 33.50 31.60 3hij n PRO 291 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02