#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 2.97 -3.93 1.12 3.06 -1.26 -5.03 119.36 116.29 3hij n ILE 2 Ca 0.00 -0.50 -0.28 0.00 -2.50 0.00 0.00 62.75 59.47 3hij n ILE 2 Cb 0.00 -1.08 -0.17 0.00 0.54 0.00 0.00 39.64 38.93 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 -1.03 2.37 0.00 9.51 -1.08 -1.26 -5.00 116.67 120.18 3hij s ASP 3 Ca 0.70 -0.38 0.27 0.00 -0.52 0.00 0.00 52.55 52.61 3hij s ASP 3 Cb -0.47 -0.93 0.80 0.00 -1.46 0.00 0.00 42.92 40.86 3hij s ASP 3 CO 0.52 -0.11 1.60 0.49 0.52 0.00 0.00 175.17 178.19 3hij n PHE 4 N 4.90 0.00 -4.31 -5.34 3.72 -1.26 -4.78 117.46 110.38 3hij n PHE 4 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 3hij n PHE 4 Cb 0.50 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 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 1.31 -1.01 0.11 1.37 0.00 -1.26 -3.90 105.19 101.82 3hij n GLY 5 Ca 0.13 -1.20 0.11 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.17 0.66 -3.55 2.61 -2.24 -1.26 -4.69 114.28 105.65 3hij n THR 6 Ca 0.00 -0.56 -0.29 0.00 -2.27 0.00 0.00 64.05 60.93 3hij n THR 6 Cb 0.00 -0.36 -0.13 0.00 -2.10 0.00 0.00 70.33 67.73 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 -3.34 0.28 0.04 2.28 1.01 -1.26 -1.22 121.20 119.00 3hij s ILE 7 Ca -0.01 -1.43 -0.22 0.00 0.00 0.00 0.00 60.65 59.00 3hij s ILE 7 Cb 0.09 -1.22 -0.06 0.00 0.01 0.00 0.00 42.46 41.28 3hij s ILE 7 CO 0.79 -0.85 0.64 0.00 0.00 0.00 0.00 174.94 175.52 3hij s ALA 8 N 1.42 3.49 -0.17 9.38 0.00 -0.21 -0.11 121.76 135.55 3hij s ALA 8 Ca 0.14 0.12 -0.05 0.00 0.00 0.00 0.00 51.96 52.17 3hij s ALA 8 Cb -0.20 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.11 3hij s ALA 8 CO -0.15 0.22 -0.01 0.99 0.00 0.00 0.00 175.76 176.81 3hij s THR 9 N -0.51 4.01 -1.07 0.00 2.01 0.37 -0.28 115.64 120.16 3hij s THR 9 Ca 0.32 -0.31 -0.22 0.00 0.31 0.00 0.00 61.69 61.79 3hij s THR 9 Cb -0.20 -2.78 0.02 0.00 0.01 0.00 0.00 72.50 69.56 3hij s THR 9 CO 0.20 0.47 1.65 0.00 -0.69 0.00 0.00 174.62 176.25 3hij s ALA 10 N 0.58 2.56 0.33 7.40 0.00 -0.27 0.42 121.76 132.77 3hij s ALA 10 Ca -0.01 -2.25 -0.29 0.00 0.00 0.00 0.00 51.96 49.41 3hij s ALA 10 Cb -0.14 -4.57 -0.10 0.00 0.00 0.00 0.00 23.12 18.30 3hij s ALA 10 CO 0.02 -3.93 1.37 1.41 0.00 0.00 0.00 175.76 174.63 3hij s MET 11 N 5.34 4.29 0.81 0.00 1.75 -0.12 -4.60 119.30 126.77 3hij s MET 11 Ca 0.54 2.30 -0.12 0.00 -1.25 0.00 0.00 55.69 57.17 3hij s MET 11 Cb -0.00 -3.06 0.08 0.00 2.84 0.00 0.00 34.83 34.69 3hij s MET 11 CO -0.02 -0.30 1.14 0.14 -0.65 0.00 0.00 175.02 175.33 3hij s VAL 12 N -0.93 2.63 -0.42 10.11 -7.23 -1.26 -3.15 120.40 120.15 3hij s VAL 12 Ca 0.52 0.23 -0.12 0.00 -1.81 0.00 0.00 61.98 60.79 3hij s VAL 12 Cb -0.41 -2.56 0.05 0.00 0.56 0.00 0.00 36.38 34.02 3hij s VAL 12 CO 0.53 -0.24 0.29 -0.89 -0.31 0.00 0.00 175.10 174.48 3hij s THR 13 N -2.57 4.77 0.24 5.32 2.01 -1.26 -4.87 115.64 119.28 3hij s THR 13 Ca 0.66 -1.04 -0.31 0.00 0.31 0.00 0.00 61.69 61.31 3hij s THR 13 Cb -0.22 -3.79 -0.11 0.00 0.01 0.00 0.00 72.50 68.39 3hij s THR 13 CO 0.53 -0.42 1.63 -2.84 -0.69 0.00 0.00 174.62 172.83 3hij s PRO 14 N 1.56 4.14 0.09 4.92 0.02 -1.26 -4.94 135.00 139.54 3hij s PRO 14 Ca 0.03 2.55 0.09 0.00 0.02 0.00 0.00 61.00 63.69 3hij s PRO 14 Cb -0.22 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.20 3hij s PRO 14 CO 0.06 -0.67 -0.22 -0.06 -0.33 0.00 0.00 177.00 175.79 3hij s PHE 15 N 0.61 2.45 0.18 6.54 2.99 -0.69 -0.75 117.98 129.30 3hij s PHE 15 Ca 0.69 -0.32 -0.01 0.00 0.00 0.00 0.00 56.93 57.29 3hij s PHE 15 Cb -0.48 -1.35 0.04 0.00 0.00 0.00 0.00 43.02 41.23 3hij s PHE 15 CO 0.39 0.31 0.24 -0.40 -0.00 0.00 0.00 175.22 175.76 3hij n ASP 16 N 1.13 0.20 0.31 1.36 5.68 0.16 -3.64 116.55 121.76 3hij n ASP 16 Ca -0.17 -1.20 0.18 0.00 -0.50 0.00 0.00 54.79 53.11 3hij n ASP 16 Cb 0.53 -0.17 0.98 0.00 -1.14 0.00 0.00 41.12 41.32 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 -0.68 0.22 -0.40 2.12 6.09 -2.00 0.46 117.51 123.32 3hij h ILE 17 Ca -0.08 -0.20 0.00 0.00 -1.37 0.00 0.00 64.86 63.21 3hij h ILE 17 Cb 0.26 1.16 0.00 0.00 0.47 0.00 0.00 36.82 38.71 3hij h ILE 17 CO 0.07 0.03 0.00 0.59 -3.07 0.00 0.00 178.15 175.77 3hij n ASN 18 N -3.34 2.75 0.00 2.19 5.03 -1.26 -4.94 115.26 115.70 3hij n ASN 18 Ca -0.02 -1.93 0.00 0.00 0.87 0.00 0.00 54.58 53.50 3hij n ASN 18 Cb 0.15 -0.26 0.00 0.00 -1.02 0.00 0.00 39.78 38.64 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 1.35 1.16 3.83 7.41 0.00 0.15 -5.04 105.19 114.05 3hij n GLY 19 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.10 6.52 0.20 1.61 0.02 -1.26 -4.69 114.94 114.24 3hij s ASN 20 Ca 0.00 1.67 -0.33 0.00 -1.02 0.00 0.00 52.86 53.18 3hij s ASN 20 Cb 0.00 -2.52 -0.14 0.00 0.02 0.00 0.00 41.25 38.61 3hij s ASN 20 CO 0.00 -0.65 1.47 -0.38 0.02 0.00 0.00 177.10 177.55 3hij n ILE 21 N -1.41 0.51 -3.40 0.60 5.41 -1.26 0.40 119.36 120.20 3hij n ILE 21 Ca 0.07 -0.13 -0.44 0.00 1.00 0.00 0.00 62.75 63.25 3hij n ILE 21 Cb 0.54 -1.44 -0.07 0.00 -0.71 0.00 0.00 39.64 37.96 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 0.54 6.05 0.13 4.38 -1.08 0.07 -4.64 116.67 122.12 3hij s ASP 22 Ca 0.74 -1.62 -0.13 0.00 -0.52 0.00 0.00 52.55 51.02 3hij s ASP 22 Cb -0.69 -2.15 -0.04 0.00 -1.46 0.00 0.00 42.92 38.58 3hij s ASP 22 CO 0.45 -0.73 1.48 -0.26 0.52 0.00 0.00 175.17 176.63 3hij h PHE 23 N 8.73 0.96 -0.52 -5.34 -1.00 -1.92 -0.82 116.94 117.02 3hij h PHE 23 Ca -0.27 -0.25 0.02 0.00 2.81 0.00 0.00 57.97 60.27 3hij h PHE 23 Cb 1.10 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 40.41 3hij h PHE 23 CO 0.67 1.02 0.31 0.00 -1.61 0.00 0.00 178.31 178.71 3hij h ALA 24 N 0.79 0.67 -0.05 2.45 0.00 -1.99 -1.93 119.26 119.18 3hij h ALA 24 Ca 0.08 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3hij h ALA 24 Cb 0.80 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3hij h ALA 24 CO 0.07 0.02 -0.46 0.87 0.00 0.00 0.00 179.25 179.75 3hij h LYS 25 N 0.62 0.13 -0.20 0.00 1.79 -1.90 -1.43 116.57 115.58 3hij h LYS 25 Ca 0.21 -0.07 0.01 0.00 -2.18 0.00 0.00 60.65 58.63 3hij h LYS 25 Cb 0.02 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 3hij h LYS 25 CO -0.09 0.57 0.10 1.15 -1.08 0.00 0.00 179.45 180.09 3hij h THR 26 N 0.11 0.99 -0.14 -0.16 2.02 -0.77 0.15 112.91 115.11 3hij h THR 26 Ca 0.01 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 67.16 3hij h THR 26 Cb 0.86 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.99 3hij h THR 26 CO 0.07 0.04 -0.14 0.74 0.37 0.00 0.00 175.52 176.60 3hij h THR 27 N 0.21 0.62 -0.60 3.16 2.02 -1.17 0.15 112.91 117.30 3hij h THR 27 Ca 0.08 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 3hij h THR 27 Cb 0.02 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 3hij h THR 27 CO -0.06 0.00 0.33 0.50 0.37 0.00 0.00 175.52 176.66 3hij h LYS 28 N -0.16 0.83 -0.21 6.66 3.64 -1.01 -1.61 116.57 124.71 3hij h LYS 28 Ca 0.10 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3hij h LYS 28 Cb 0.30 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3hij h LYS 28 CO -0.24 0.63 0.07 1.25 -2.27 0.00 0.00 179.45 178.89 3hij h LEU 29 N 0.81 0.30 -0.26 5.20 5.85 -0.37 -1.07 115.31 125.77 3hij h LEU 29 Ca 0.21 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.78 3hij h LEU 29 Cb 0.04 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 3hij h LEU 29 CO -0.03 0.42 -0.00 0.58 -0.34 0.00 0.00 178.44 179.06 3hij h VAL 30 N 0.17 0.81 -0.68 1.05 2.07 -0.44 0.46 116.25 119.68 3hij h VAL 30 Ca 0.07 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 3hij h VAL 30 Cb 0.22 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 3hij h VAL 30 CO -0.00 0.01 0.29 0.78 0.02 0.00 0.00 177.57 178.67 3hij h ASN 31 N 0.08 0.91 -0.32 0.57 2.35 -1.17 -1.31 115.58 116.68 3hij h ASN 31 Ca 0.12 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3hij h ASN 31 Cb 0.16 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3hij h ASN 31 CO -0.21 0.80 0.13 0.22 -1.65 0.00 0.00 177.43 176.72 3hij h TYR 32 N 0.98 0.50 -0.40 1.19 3.20 -0.66 -2.21 116.97 119.57 3hij h TYR 32 Ca 0.23 -0.04 0.02 0.00 3.14 0.00 0.00 58.73 62.08 3hij h TYR 32 Cb 0.17 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 3hij h TYR 32 CO 0.01 0.47 0.23 -0.07 -1.64 0.00 0.00 178.16 177.17 3hij h LEU 33 N 0.37 0.36 -1.56 2.82 3.38 -0.40 -2.07 115.31 118.21 3hij h LEU 33 Ca 0.11 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3hij h LEU 33 Cb 0.19 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3hij h LEU 33 CO -0.01 0.26 -0.11 0.40 0.09 0.00 0.00 178.44 179.07 3hij h ILE 34 N 0.46 1.14 -0.01 1.22 2.04 -1.02 0.15 117.51 121.50 3hij h ILE 34 Ca 0.16 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.41 3hij h ILE 34 Cb 0.02 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 3hij h ILE 34 CO -0.08 0.19 -0.04 0.47 0.00 0.00 0.00 178.15 178.69 3hij n ASP 35 N -4.33 0.95 -2.00 1.72 8.00 -0.85 -4.08 116.55 115.95 3hij n ASP 35 Ca -0.01 -1.20 -0.10 0.00 0.71 0.00 0.00 54.79 54.19 3hij n ASP 35 Cb 0.23 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.39 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 -0.34 3.12 0.00 -2.24 3.02 0.01 -4.97 115.26 113.86 3hij n ASN 36 Ca 0.19 -3.11 0.00 0.00 -0.03 0.00 0.00 54.58 51.63 3hij n ASN 36 Cb 0.28 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 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 -0.63 0.61 3.69 7.41 0.00 -1.18 -2.96 105.19 112.13 3hij n GLY 37 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.30 4.77 -2.21 2.61 2.01 -1.01 -4.64 115.64 114.87 3hij s THR 38 Ca 0.00 2.03 0.21 0.00 0.31 0.00 0.00 61.69 64.24 3hij s THR 38 Cb 0.00 -4.30 0.06 0.00 0.01 0.00 0.00 72.50 68.26 3hij s THR 38 CO 0.00 0.03 1.09 0.35 -0.69 0.00 0.00 174.62 175.40 3hij n THR 39 N 4.44 0.00 -3.60 -0.82 -2.24 0.84 -4.59 114.28 108.32 3hij n THR 39 Ca 0.08 -0.36 -0.09 0.00 -2.27 0.00 0.00 64.05 61.41 3hij n THR 39 Cb 0.49 1.32 -0.05 0.00 -2.10 0.00 0.00 70.33 69.99 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 -2.17 -1.96 -0.14 6.98 0.00 -1.19 -4.01 121.76 119.27 3hij s ALA 40 Ca 0.20 1.67 0.02 0.00 0.00 0.00 0.00 51.96 53.84 3hij s ALA 40 Cb 0.17 -0.94 0.02 0.00 0.00 0.00 0.00 23.12 22.37 3hij s ALA 40 CO 0.44 -0.28 -0.18 0.42 0.00 0.00 0.00 175.76 176.16 3hij s ILE 41 N -0.81 1.77 -0.31 0.00 1.01 -0.37 -0.47 121.20 122.02 3hij s ILE 41 Ca 0.00 -0.79 -0.19 0.00 0.00 0.00 0.00 60.65 59.68 3hij s ILE 41 Cb -0.02 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.84 3hij s ILE 41 CO -0.01 0.49 0.55 -0.69 0.00 0.00 0.00 174.94 175.28 3hij s VAL 42 N 1.09 5.00 -0.13 2.92 1.01 0.17 -0.48 120.40 129.98 3hij s VAL 42 Ca -0.02 0.64 -0.03 0.00 0.00 0.00 0.00 61.98 62.57 3hij s VAL 42 Cb -0.14 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 3hij s VAL 42 CO -0.05 -0.12 -0.03 0.54 0.00 0.00 0.00 175.10 175.44 3hij s VAL 43 N 2.45 4.01 -0.99 2.92 0.11 0.15 -0.94 120.40 128.11 3hij s VAL 43 Ca 0.21 -0.33 -0.03 0.00 -2.93 0.00 0.00 61.98 58.90 3hij s VAL 43 Cb -0.15 -2.72 0.00 0.00 -1.53 0.00 0.00 36.38 31.98 3hij s VAL 43 CO 0.12 0.53 0.38 0.61 -3.33 0.00 0.00 175.10 173.41 3hij n GLY 44 N 3.00 -0.08 0.00 6.54 0.00 -1.26 -0.84 105.19 112.55 3hij n GLY 44 Ca -0.18 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.24 0.05 0.28 -0.02 0.00 -1.26 -4.05 105.19 98.95 3hij n GLY 45 Ca -0.07 -1.79 -0.05 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.28 1.20 0.00 2.61 2.02 -1.96 -0.16 112.91 116.35 3hij h THR 46 Ca 0.00 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.72 3hij h THR 46 Cb 0.00 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 66.62 3hij h THR 46 CO 0.00 0.21 -0.12 0.74 0.37 0.00 0.00 175.52 176.71 3hij h THR 47 N 0.96 0.54 -0.16 3.16 2.02 -1.87 -1.59 112.91 115.97 3hij h THR 47 Ca 0.25 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.86 3hij h THR 47 Cb -0.04 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3hij h THR 47 CO -0.05 0.12 0.00 0.61 0.37 0.00 0.00 175.52 176.57 3hij n GLY 48 N -0.60 0.39 3.89 2.16 0.00 -0.10 -4.29 105.19 106.63 3hij n GLY 48 Ca -0.02 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 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 0.04 -4.94 -0.26 1.61 1.02 -0.60 -4.32 120.64 113.19 3hij n GLU 49 Ca 0.06 0.56 0.22 0.00 -0.02 0.00 0.00 57.16 57.99 3hij n GLU 49 Cb 0.24 -5.28 0.55 0.00 -0.02 0.00 0.00 31.44 26.93 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 -1.96 0.34 -0.29 1.62 4.64 -1.66 -2.04 113.55 114.20 3hij h SER 50 Ca -0.59 0.05 0.01 0.00 -0.47 0.00 0.00 61.79 60.78 3hij h SER 50 Cb 1.37 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 3hij h SER 50 CO 0.65 0.11 0.19 -0.65 -0.87 0.00 0.00 176.83 176.26 3hij h PRO 51 N 0.33 0.36 -0.25 4.77 0.11 -1.89 -2.87 132.00 132.56 3hij h PRO 51 Ca 0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.60 3hij h PRO 51 Cb 1.41 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3hij h PRO 51 CO -0.18 0.24 0.00 0.25 -0.21 0.00 0.00 178.00 178.10 3hij n THR 52 N -4.49 0.34 -3.09 -1.15 -2.24 -0.79 -4.90 114.28 97.95 3hij n THR 52 Ca 0.02 -0.67 -0.38 0.00 -2.27 0.00 0.00 64.05 60.74 3hij n THR 52 Cb 0.08 1.14 -0.06 0.00 -2.10 0.00 0.00 70.33 69.39 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 -1.56 4.52 0.87 3.22 1.43 -1.09 -5.08 118.68 121.00 3hij s LEU 53 Ca 0.33 1.48 -0.12 0.00 -1.03 0.00 0.00 54.13 54.79 3hij s LEU 53 Cb 0.20 -3.24 0.12 0.00 0.03 0.00 0.00 46.19 43.30 3hij s LEU 53 CO 0.29 0.19 1.14 0.42 0.23 0.00 0.00 176.35 178.62 3hij s THR 54 N -1.22 2.14 0.18 5.49 -4.23 -1.26 -4.84 115.64 111.90 3hij s THR 54 Ca 0.35 0.05 -0.13 0.00 -1.18 0.00 0.00 61.69 60.78 3hij s THR 54 Cb -0.21 -2.86 0.08 0.00 1.34 0.00 0.00 72.50 70.85 3hij s THR 54 CO 0.23 -0.06 1.83 -1.28 -0.54 0.00 0.00 174.62 174.80 3hij h SER 55 N -1.34 0.57 -0.55 3.99 0.87 -1.97 -0.62 113.55 114.50 3hij h SER 55 Ca -0.49 -0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.01 3hij h SER 55 Cb 1.32 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 63.13 3hij h SER 55 CO 0.63 0.41 0.14 -0.33 -0.53 0.00 0.00 176.83 177.14 3hij h GLU 56 N 0.69 0.88 -0.45 2.24 3.07 -2.00 -2.05 114.58 116.97 3hij h GLU 56 Ca 0.21 -0.21 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 3hij h GLU 56 Cb -0.02 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.75 3hij h GLU 56 CO -0.08 0.83 0.15 0.93 -1.40 0.00 0.00 179.01 179.44 3hij h GLU 57 N 0.79 0.65 -0.09 2.33 5.08 -1.83 -1.08 114.58 120.42 3hij h GLU 57 Ca 0.17 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3hij h GLU 57 Cb 0.33 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 3hij h GLU 57 CO 0.00 0.56 0.01 0.87 -1.00 0.00 0.00 179.01 179.45 3hij h LYS 58 N 0.64 0.15 -0.47 2.33 1.57 -0.46 0.61 116.57 120.93 3hij h LYS 58 Ca 0.15 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3hij h LYS 58 Cb 0.18 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3hij h LYS 58 CO -0.01 0.39 0.26 0.28 -0.57 0.00 0.00 179.45 179.80 3hij h VAL 59 N -0.11 1.16 -0.91 0.50 2.07 -1.31 0.14 116.25 117.79 3hij h VAL 59 Ca 0.03 -0.41 0.07 0.00 0.82 0.00 0.00 66.70 67.21 3hij h VAL 59 Cb 0.32 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 3hij h VAL 59 CO 0.00 0.17 0.57 0.00 0.02 0.00 0.00 177.57 178.33 3hij h ALA 60 N 1.11 1.28 -0.36 1.67 0.00 -1.04 0.12 119.26 122.04 3hij h ALA 60 Ca 0.17 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 3hij h ALA 60 Cb 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3hij h ALA 60 CO -0.03 0.30 -0.26 1.25 0.00 0.00 0.00 179.25 180.51 3hij h LEU 61 N 1.01 0.85 0.01 0.00 5.85 -0.34 -0.60 115.31 122.08 3hij h LEU 61 Ca 0.41 -0.44 0.03 0.00 0.84 0.00 0.00 57.88 58.72 3hij h LEU 61 Cb 0.23 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3hij h LEU 61 CO -0.19 1.11 -0.25 1.88 -0.34 0.00 0.00 178.44 180.64 3hij h TYR 62 N 0.60 -0.67 -0.49 1.25 0.05 -0.33 0.30 116.97 117.68 3hij h TYR 62 Ca 0.07 0.02 0.08 0.00 0.05 0.00 0.00 58.73 58.95 3hij h TYR 62 Cb 0.83 0.30 -0.06 0.00 1.01 0.00 0.00 36.73 38.80 3hij h TYR 62 CO 0.06 -0.34 0.12 -0.09 -1.05 0.00 0.00 178.16 176.86 3hij h ARG 63 N -0.39 0.25 -0.33 4.88 2.43 -0.57 -0.57 114.38 120.09 3hij h ARG 63 Ca 0.06 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3hij h ARG 63 Cb 0.47 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3hij h ARG 63 CO -0.21 0.17 0.07 1.25 -1.51 0.00 0.00 179.97 179.74 3hij h HIS 64 N 0.26 0.56 -0.62 2.20 2.76 -0.85 -1.76 115.15 117.70 3hij h HIS 64 Ca 0.24 -0.07 -0.06 0.00 -2.20 0.00 0.00 60.37 58.28 3hij h HIS 64 Cb 0.31 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 29.09 3hij h HIS 64 CO -0.21 0.58 0.16 0.28 -1.30 0.00 0.00 177.93 177.44 3hij h VAL 65 N 0.37 1.25 -0.52 5.26 2.07 -0.62 -0.45 116.25 123.62 3hij h VAL 65 Ca 0.10 -0.91 0.08 0.00 0.82 0.00 0.00 66.70 66.79 3hij h VAL 65 Cb 0.31 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 3hij h VAL 65 CO 0.00 0.34 0.16 0.58 0.02 0.00 0.00 177.57 178.68 3hij h VAL 66 N 0.90 0.79 -0.39 2.57 2.07 -0.94 0.12 116.25 121.38 3hij h VAL 66 Ca 0.20 -0.11 -0.16 0.00 0.82 0.00 0.00 66.70 67.44 3hij h VAL 66 Cb 0.35 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3hij h VAL 66 CO 0.00 0.06 -0.39 0.77 0.02 0.00 0.00 177.57 178.03 3hij h SER 67 N 0.33 1.01 -0.26 0.57 4.64 -0.76 -0.88 113.55 118.20 3hij h SER 67 Ca 0.25 -0.47 -0.07 0.00 -0.47 0.00 0.00 61.79 61.04 3hij h SER 67 Cb 0.30 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3hij h SER 67 CO -0.28 1.27 -0.11 0.58 -0.87 0.00 0.00 176.83 177.42 3hij h VAL 68 N 0.77 1.29 -0.60 0.95 2.07 -0.70 -3.06 116.25 116.97 3hij h VAL 68 Ca 0.06 -1.18 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 3hij h VAL 68 Cb 0.99 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 3hij h VAL 68 CO 0.10 0.37 0.19 0.58 0.02 0.00 0.00 177.57 178.82 3hij h VAL 69 N 0.27 1.23 -6.35 2.57 2.07 -0.68 -3.47 116.25 111.90 3hij h VAL 69 Ca 0.06 -0.79 -0.47 0.00 0.82 0.00 0.00 66.70 66.32 3hij h VAL 69 Cb 0.61 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3hij h VAL 69 CO 0.04 0.30 -0.84 -0.67 0.02 0.00 0.00 177.57 176.42 3hij n ASP 70 N -4.28 -1.84 -0.13 0.57 4.64 -0.34 -1.63 116.55 113.54 3hij n ASP 70 Ca 0.05 -0.90 -0.02 0.00 -1.38 0.00 0.00 54.79 52.54 3hij n ASP 70 Cb 0.21 -3.53 -0.01 0.00 -1.04 0.00 0.00 41.12 36.75 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 -4.42 -1.05 0.06 -0.67 4.76 -1.26 -4.89 118.16 110.69 3hij n LYS 71 Ca -0.19 0.36 -0.07 0.00 -2.87 0.00 0.00 58.31 55.54 3hij n LYS 71 Cb 0.63 -4.20 0.08 0.00 -1.84 0.00 0.00 35.03 29.70 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 0.39 0.34 -4.38 1.97 3.08 -1.69 -3.45 114.38 110.65 3hij h ARG 72 Ca -0.03 -0.24 -0.16 0.00 0.07 0.00 0.00 59.98 59.62 3hij h ARG 72 Cb 0.57 0.04 -0.15 0.00 0.08 0.00 0.00 29.97 30.51 3hij h ARG 72 CO 0.05 0.86 -0.69 0.14 -1.07 0.00 0.00 179.97 179.26 3hij s VAL 73 N -3.76 0.38 0.41 2.04 -7.23 -1.26 -5.05 120.40 105.93 3hij s VAL 73 Ca -0.05 -1.82 -0.25 0.00 -1.81 0.00 0.00 61.98 58.04 3hij s VAL 73 Cb 0.11 -1.54 -0.08 0.00 0.56 0.00 0.00 36.38 35.44 3hij s VAL 73 CO 0.82 -0.94 1.25 -2.84 -0.31 0.00 0.00 175.10 173.07 3hij s PRO 74 N -3.81 3.94 -0.26 4.82 0.02 -1.26 -4.85 135.00 133.61 3hij s PRO 74 Ca 0.08 2.02 -0.07 0.00 0.02 0.00 0.00 61.00 63.05 3hij s PRO 74 Cb 0.06 -2.68 -0.02 0.00 0.02 0.00 0.00 34.50 31.89 3hij s PRO 74 CO -0.08 -0.47 0.06 0.08 -0.33 0.00 0.00 177.00 176.26 3hij s VAL 75 N -1.34 4.12 -0.28 3.83 1.01 -1.26 -1.23 120.40 125.25 3hij s VAL 75 Ca 0.58 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 62.18 3hij s VAL 75 Cb -0.35 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.07 3hij s VAL 75 CO 0.44 0.29 0.06 -0.63 0.00 0.00 0.00 175.10 175.26 3hij s ILE 76 N 1.57 3.82 -0.09 2.22 1.01 0.37 -0.20 121.20 129.90 3hij s ILE 76 Ca 0.06 -0.71 -0.20 0.00 0.00 0.00 0.00 60.65 59.80 3hij s ILE 76 Cb -0.15 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 3hij s ILE 76 CO 0.02 0.12 0.56 0.00 0.00 0.00 0.00 174.94 175.65 3hij s ALA 77 N 1.48 3.43 -1.26 9.38 0.00 -0.39 0.33 121.76 134.72 3hij s ALA 77 Ca 0.03 -0.06 -0.18 0.00 0.00 0.00 0.00 51.96 51.75 3hij s ALA 77 Cb -0.17 -2.76 0.01 0.00 0.00 0.00 0.00 23.12 20.20 3hij s ALA 77 CO 0.01 -0.02 1.96 0.41 0.00 0.00 0.00 175.76 178.13 3hij n GLY 78 N 3.13 2.99 0.07 0.00 0.00 -0.02 -1.28 105.19 110.07 3hij n GLY 78 Ca -0.05 -1.37 0.12 0.00 0.00 0.00 0.00 46.02 44.72 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 6.10 0.36 -2.84 2.61 -2.24 -1.02 -4.76 114.28 112.49 3hij n THR 79 Ca 0.50 -0.26 -0.39 0.00 -2.27 0.00 0.00 64.05 61.63 3hij n THR 79 Cb 0.43 -0.17 -0.06 0.00 -2.10 0.00 0.00 70.33 68.43 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 -3.60 2.96 0.00 3.38 0.00 -1.17 -4.59 107.32 104.30 3hij s GLY 80 Ca 0.07 0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.30 3hij s GLY 80 CO 0.70 1.01 0.00 -1.14 0.00 0.00 0.00 173.10 173.67 3hij n SER 81 N 1.24 1.12 -0.98 1.64 3.41 -1.26 -4.31 113.62 114.47 3hij n SER 81 Ca -0.02 -0.13 0.06 0.00 -0.26 0.00 0.00 58.87 58.52 3hij n SER 81 Cb 0.48 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.64 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 -0.24 2.83 -3.96 4.04 2.04 -1.26 -4.48 115.26 114.23 3hij n ASN 82 Ca 0.00 -2.20 -0.30 0.00 -0.44 0.00 0.00 54.58 51.64 3hij n ASN 82 Cb 0.00 -0.40 -0.16 0.00 -2.53 0.00 0.00 39.78 36.69 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 -0.80 3.63 0.05 0.53 3.84 -1.26 -4.95 114.94 115.99 3hij s ASN 83 Ca 0.30 -1.04 -0.22 0.00 0.21 0.00 0.00 52.86 52.10 3hij s ASN 83 Cb 0.18 -1.19 -0.14 0.00 -0.55 0.00 0.00 41.25 39.55 3hij s ASN 83 CO 0.16 -0.20 1.53 0.74 -2.79 0.00 0.00 177.10 176.54 3hij h THR 84 N 6.55 1.21 -0.69 -5.21 2.02 -1.95 0.02 112.91 114.85 3hij h THR 84 Ca -0.22 -0.64 -0.04 0.00 0.77 0.00 0.00 66.41 66.28 3hij h THR 84 Cb 1.08 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 68.92 3hij h THR 84 CO 0.43 0.18 0.26 0.45 0.37 0.00 0.00 175.52 177.22 3hij h HIS 85 N -0.08 1.08 -0.97 3.16 3.86 -1.97 0.48 115.15 120.71 3hij h HIS 85 Ca 0.03 -0.09 0.02 0.00 -1.16 0.00 0.00 60.37 59.17 3hij h HIS 85 Cb 0.27 -0.32 -0.05 0.00 1.06 0.00 0.00 27.41 28.37 3hij h HIS 85 CO 0.01 0.84 0.64 0.00 0.86 0.00 0.00 177.93 180.28 3hij h ALA 86 N 1.12 1.33 -0.50 2.45 0.00 -1.95 -1.73 119.26 119.98 3hij h ALA 86 Ca 0.23 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3hij h ALA 86 Cb 0.24 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3hij h ALA 86 CO -0.02 0.61 -0.06 0.77 0.00 0.00 0.00 179.25 180.55 3hij h SER 87 N 1.29 0.86 -0.20 0.00 0.02 -0.34 -0.67 113.55 114.51 3hij h SER 87 Ca 0.36 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3hij h SER 87 Cb -0.10 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.20 3hij h SER 87 CO -0.09 0.96 0.11 0.40 -1.14 0.00 0.00 176.83 177.07 3hij h ILE 88 N 0.80 1.10 -0.96 3.27 2.04 -0.68 -0.40 117.51 122.68 3hij h ILE 88 Ca 0.14 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.76 3hij h ILE 88 Cb 0.56 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 3hij h ILE 88 CO 0.03 0.09 0.63 0.44 0.00 0.00 0.00 178.15 179.35 3hij h ASP 89 N 0.22 1.08 0.19 1.72 3.32 -0.85 -1.11 116.42 121.00 3hij h ASP 89 Ca 0.07 -0.02 -0.23 0.00 0.02 0.00 0.00 57.03 56.86 3hij h ASP 89 Cb 0.05 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 39.34 3hij h ASP 89 CO -0.01 0.78 -0.94 0.25 -1.72 0.00 0.00 179.24 177.59 3hij h LEU 90 N 1.28 0.67 -0.56 1.55 5.85 -1.04 -2.01 115.31 121.05 3hij h LEU 90 Ca 0.36 -0.52 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 3hij h LEU 90 Cb -0.11 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.69 3hij h LEU 90 CO -0.09 1.32 0.19 0.74 -0.34 0.00 0.00 178.44 180.26 3hij h THR 91 N 0.31 1.23 -0.41 1.05 2.02 -0.83 0.28 112.91 116.56 3hij h THR 91 Ca -0.09 -0.76 -0.00 0.00 0.77 0.00 0.00 66.41 66.33 3hij h THR 91 Cb 1.57 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.64 3hij h THR 91 CO 0.17 0.29 0.25 0.11 0.37 0.00 0.00 175.52 176.71 3hij h LYS 92 N 0.77 0.55 -0.63 6.66 1.79 -1.05 0.17 116.57 124.83 3hij h LYS 92 Ca 0.18 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.56 3hij h LYS 92 Cb 0.25 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.75 3hij h LYS 92 CO -0.01 0.40 0.22 0.87 -1.08 0.00 0.00 179.45 179.85 3hij h LYS 93 N 0.54 0.97 -0.80 3.15 1.57 -1.05 -1.44 116.57 119.52 3hij h LYS 93 Ca 0.15 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3hij h LYS 93 Cb -0.01 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.12 3hij h LYS 93 CO -0.03 0.84 0.37 0.00 -0.57 0.00 0.00 179.45 180.07 3hij h ALA 94 N 1.08 1.14 -0.54 3.86 0.00 -0.16 -2.11 119.26 122.54 3hij h ALA 94 Ca 0.21 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3hij h ALA 94 Cb 0.26 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3hij h ALA 94 CO -0.01 0.64 0.31 1.15 0.00 0.00 0.00 179.25 181.34 3hij h THR 95 N 1.15 1.02 0.00 0.00 2.02 -0.40 -2.15 112.91 114.54 3hij h THR 95 Ca 0.27 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 67.21 3hij h THR 95 Cb 0.13 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 3hij h THR 95 CO -0.03 0.11 -0.17 -0.33 0.37 0.00 0.00 175.52 175.47 3hij h GLU 96 N 0.60 0.00 -0.10 6.66 4.39 -0.91 -1.52 114.58 123.69 3hij h GLU 96 Ca 0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 3hij h GLU 96 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 3hij h GLU 96 CO -0.12 0.17 0.00 1.33 -1.16 0.00 0.00 179.01 179.23 3hij n VAL 97 N -3.93 0.13 -0.99 3.13 0.24 -0.82 -4.92 118.33 111.17 3hij n VAL 97 Ca -0.02 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 3hij n VAL 97 Cb 0.26 0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.83 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 1.05 0.80 3.68 7.63 0.00 -0.57 -4.82 105.19 112.97 3hij n GLY 98 Ca 0.16 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 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 2.52 -0.27 1.61 -7.23 -1.17 -4.99 120.40 108.88 3hij s VAL 99 Ca 0.00 0.17 0.22 0.00 -1.81 0.00 0.00 61.98 60.56 3hij s VAL 99 Cb 0.00 -2.51 -0.18 0.00 0.56 0.00 0.00 36.38 34.24 3hij s VAL 99 CO 0.00 -0.22 0.79 0.47 -0.31 0.00 0.00 175.10 175.83 3hij n ASP 100 N -4.07 0.44 -3.67 4.85 9.92 0.71 -4.89 116.55 119.83 3hij n ASP 100 Ca 0.07 0.01 -0.06 0.00 -0.53 0.00 0.00 54.79 54.28 3hij n ASP 100 Cb 0.54 1.22 -0.02 0.00 -0.64 0.00 0.00 41.12 42.23 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 -3.38 -1.64 0.13 2.24 0.00 -0.96 -4.17 121.76 113.97 3hij s ALA 101 Ca -0.02 0.33 0.07 0.00 0.00 0.00 0.00 51.96 52.34 3hij s ALA 101 Cb 0.13 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 3hij s ALA 101 CO 0.85 -0.93 -0.17 0.14 0.00 0.00 0.00 175.76 175.65 3hij s VAL 102 N -3.36 1.59 -0.07 0.00 -7.23 -0.67 -1.26 120.40 109.40 3hij s VAL 102 Ca 0.09 -1.71 0.04 0.00 -1.81 0.00 0.00 61.98 58.59 3hij s VAL 102 Cb -0.02 -1.62 -0.01 0.00 0.56 0.00 0.00 36.38 35.29 3hij s VAL 102 CO -0.01 -0.27 -0.21 -0.32 -0.31 0.00 0.00 175.10 173.98 3hij s MET 103 N -2.44 2.69 -0.17 4.82 0.00 -0.41 -0.25 119.30 123.54 3hij s MET 103 Ca 0.10 -0.82 0.00 0.00 0.00 0.00 0.00 55.69 54.97 3hij s MET 103 Cb -0.07 -2.29 0.04 0.00 0.00 0.00 0.00 34.83 32.51 3hij s MET 103 CO 0.05 0.40 -0.09 -0.51 0.00 0.00 0.00 175.02 174.87 3hij s LEU 104 N -0.19 1.84 0.42 4.11 1.43 0.43 -2.43 118.68 124.29 3hij s LEU 104 Ca -0.02 -0.69 -0.22 0.00 -1.03 0.00 0.00 54.13 52.17 3hij s LEU 104 Cb -0.14 -1.06 -0.11 0.00 0.03 0.00 0.00 46.19 44.91 3hij s LEU 104 CO 0.03 -0.15 0.95 0.54 0.23 0.00 0.00 176.35 177.96 3hij s VAL 105 N 1.53 4.37 0.09 -1.59 0.11 -1.26 -1.31 120.40 122.33 3hij s VAL 105 Ca 0.01 1.53 -0.34 0.00 -2.93 0.00 0.00 61.98 60.24 3hij s VAL 105 Cb -0.15 -3.65 -0.14 0.00 -1.53 0.00 0.00 36.38 30.92 3hij s VAL 105 CO -0.08 -0.27 1.63 0.00 -3.33 0.00 0.00 175.10 173.05 3hij n ALA 106 N -0.51 1.03 -1.67 1.54 0.00 -0.22 -4.72 120.51 115.96 3hij n ALA 106 Ca 0.06 0.41 -0.51 0.00 0.00 0.00 0.00 53.44 53.41 3hij n ALA 106 Cb 0.54 -2.36 -0.05 0.00 0.00 0.00 0.00 19.45 17.57 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 4.13 1.77 -2.47 0.00 -0.02 -1.26 -4.81 135.00 132.34 3hij n PRO 107 Ca 0.19 0.65 -0.25 0.00 -2.02 0.00 0.00 63.50 62.06 3hij n PRO 107 Cb 0.28 -2.41 0.04 0.00 -0.02 0.00 0.00 33.50 31.39 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 2.81 3.14 0.00 6.00 1.13 -1.26 -4.42 117.35 124.74 3hij s TYR 108 Ca 0.90 0.47 0.00 0.00 -1.41 0.00 0.00 57.07 57.04 3hij s TYR 108 Cb -0.82 -2.77 0.00 0.00 -1.10 0.00 0.00 41.96 37.27 3hij s TYR 108 CO 0.52 -0.88 0.00 0.98 -2.51 0.00 0.00 175.55 173.66 3hij n TYR 109 N -2.55 0.00 1.59 -3.49 9.36 -1.26 -4.40 117.16 116.41 3hij n TYR 109 Ca 0.05 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.41 3hij n TYR 109 Cb 0.58 0.00 0.60 0.00 -0.63 0.00 0.00 39.34 39.89 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 0.96 1.17 -3.66 2.98 0.23 -1.26 -4.98 115.26 110.70 3hij n ASN 110 Ca 0.00 -1.42 -0.30 0.00 -0.53 0.00 0.00 54.58 52.33 3hij n ASN 110 Cb 0.00 -0.01 0.04 0.00 -2.08 0.00 0.00 39.78 37.73 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 -0.07 -1.48 -1.13 -3.83 5.02 -1.26 -4.94 118.16 110.46 3hij n LYS 111 Ca 0.20 0.49 -0.30 0.00 -2.02 0.00 0.00 58.31 56.67 3hij n LYS 111 Cb 0.30 -4.28 0.13 0.00 -0.02 0.00 0.00 35.03 31.16 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 -5.90 1.48 0.85 1.97 0.04 -1.26 -5.04 135.00 127.14 3hij s PRO 112 Ca 0.44 1.03 -0.13 0.00 0.04 0.00 0.00 61.00 62.38 3hij s PRO 112 Cb -0.15 -1.82 0.12 0.00 0.04 0.00 0.00 34.50 32.69 3hij s PRO 112 CO 0.85 -2.15 1.22 -1.54 0.04 0.00 0.00 177.00 175.42 3hij s SER 113 N -3.28 4.06 0.21 6.66 1.04 -1.26 -4.83 113.70 116.30 3hij s SER 113 Ca 0.63 0.58 -0.09 0.00 0.48 0.00 0.00 55.95 57.55 3hij s SER 113 Cb -0.19 -0.93 0.24 0.00 0.10 0.00 0.00 66.02 65.24 3hij s SER 113 CO 0.57 -2.16 1.82 1.56 0.98 0.00 0.00 173.24 176.01 3hij h GLN 114 N -1.22 0.74 -0.16 4.02 1.08 -1.96 -0.61 115.11 117.00 3hij h GLN 114 Ca -0.45 -0.04 -0.15 0.00 -1.45 0.00 0.00 58.65 56.55 3hij h GLN 114 Cb 1.30 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.55 3hij h GLN 114 CO 0.56 0.49 -0.53 1.49 -0.95 0.00 0.00 178.83 179.88 3hij h GLU 115 N 0.76 0.47 -0.86 1.46 4.57 -1.99 0.66 114.58 119.66 3hij h GLU 115 Ca 0.30 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 3hij h GLU 115 Cb 0.14 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.72 3hij h GLU 115 CO -0.16 0.89 0.46 0.78 -1.18 0.00 0.00 179.01 179.79 3hij h GLY 116 N 1.15 1.29 1.21 1.92 0.00 -1.76 -1.43 103.07 105.45 3hij h GLY 116 Ca 0.01 -0.60 -0.19 0.00 0.00 0.00 0.00 47.33 46.55 3hij h GLY 116 CO 0.10 0.57 -0.59 -0.33 0.00 0.00 0.00 176.54 176.29 3hij h MET 117 N 1.20 0.82 -0.49 4.80 2.86 -0.76 0.66 114.93 124.02 3hij h MET 117 Ca 0.30 -0.54 0.09 0.00 -2.06 0.00 0.00 59.70 57.49 3hij h MET 117 Cb 0.05 0.07 -0.08 0.00 0.06 0.00 0.00 31.60 31.70 3hij h MET 117 CO -0.05 1.17 0.01 -0.92 1.06 0.00 0.00 176.91 178.18 3hij h TYR 118 N 0.62 -0.01 -0.11 -0.22 3.20 -0.67 0.16 116.97 119.93 3hij h TYR 118 Ca 0.00 0.04 -0.17 0.00 3.14 0.00 0.00 58.73 61.73 3hij h TYR 118 Cb 1.19 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.54 3hij h TYR 118 CO 0.07 -0.10 -0.66 1.96 -1.64 0.00 0.00 178.16 177.79 3hij h GLN 119 N 0.13 0.45 0.51 1.82 1.08 -0.96 -0.23 115.11 117.90 3hij h GLN 119 Ca 0.25 -0.33 -0.02 0.00 -1.45 0.00 0.00 58.65 57.09 3hij h GLN 119 Cb 0.37 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 3hij h GLN 119 CO -0.40 0.95 -0.24 1.25 -0.95 0.00 0.00 178.83 179.44 3hij h HIS 120 N 0.32 -0.63 -0.62 2.96 -0.00 -0.37 -0.32 115.15 116.49 3hij h HIS 120 Ca -0.02 -0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.25 3hij h HIS 120 Cb 1.22 0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 28.81 3hij h HIS 120 CO 0.04 -0.35 0.06 0.74 -0.00 0.00 0.00 177.93 178.42 3hij h PHE 121 N -0.78 1.12 -0.44 5.26 0.04 -0.65 -2.61 116.94 118.89 3hij h PHE 121 Ca -0.07 -0.17 0.02 0.00 2.80 0.00 0.00 57.97 60.55 3hij h PHE 121 Cb 0.57 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 38.38 3hij h PHE 121 CO -0.02 0.97 0.26 -0.22 -0.60 0.00 0.00 178.31 178.69 3hij h LYS 122 N 0.97 0.50 -0.11 1.51 3.64 -0.96 -0.21 116.57 121.91 3hij h LYS 122 Ca 0.19 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.40 3hij h LYS 122 Cb 0.48 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3hij h LYS 122 CO 0.02 0.33 -0.52 0.00 -2.27 0.00 0.00 179.45 177.01 3hij h ALA 123 N 1.20 0.92 -0.06 5.00 0.00 -0.92 -2.01 119.26 123.40 3hij h ALA 123 Ca 0.18 -0.49 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 3hij h ALA 123 Cb 0.02 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.73 3hij h ALA 123 CO -0.09 0.67 -0.57 0.82 0.00 0.00 0.00 179.25 180.09 3hij h ILE 124 N 0.23 1.39 -0.20 0.00 2.04 -1.28 -3.02 117.51 116.66 3hij h ILE 124 Ca 0.01 -1.95 -0.00 0.00 1.00 0.00 0.00 64.86 63.92 3hij h ILE 124 Cb 0.99 2.37 -0.01 0.00 -0.74 0.00 0.00 36.82 39.43 3hij h ILE 124 CO 0.08 0.58 0.12 0.00 0.00 0.00 0.00 178.15 178.93 3hij h ALA 125 N 0.41 1.84 0.00 1.87 0.00 -0.94 -0.03 119.26 122.40 3hij h ALA 125 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hij h ALA 125 Cb 1.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3hij h ALA 125 CO 0.11 0.15 0.00 0.93 0.00 0.00 0.00 179.25 180.44 3hij h GLU 126 N 0.27 0.00 -0.00 0.00 5.08 -1.35 -3.06 114.58 115.52 3hij h GLU 126 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3hij h GLU 126 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3hij h GLU 126 CO -0.01 0.00 -0.04 -1.13 -1.00 0.00 0.00 179.01 176.83 3hij n SER 127 N -2.49 0.06 -3.90 1.42 3.41 -0.02 -4.85 113.62 107.24 3hij n SER 127 Ca 0.03 0.21 -0.11 0.00 -0.26 0.00 0.00 58.87 58.75 3hij n SER 127 Cb 0.31 -0.37 -0.10 0.00 -0.26 0.00 0.00 64.21 63.79 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 -2.85 0.09 -1.27 6.66 -1.32 -1.16 -4.75 115.64 111.03 3hij s THR 128 Ca 0.19 -0.71 0.28 0.00 -1.21 0.00 0.00 61.69 60.23 3hij s THR 128 Cb 0.19 -0.36 0.30 0.00 -1.51 0.00 0.00 72.50 71.13 3hij s THR 128 CO 0.52 -0.39 1.82 -0.81 -2.21 0.00 0.00 174.62 173.54 3hij n PRO 129 N 1.61 0.29 -1.73 7.08 -0.04 -1.26 -4.91 135.00 136.04 3hij n PRO 129 Ca -0.22 -0.08 -0.33 0.00 -0.04 0.00 0.00 63.50 62.82 3hij n PRO 129 Cb 0.56 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.57 3hij n PRO 129 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hij s LEU 130 N -2.77 3.38 0.37 1.53 1.43 -1.26 -4.93 118.68 116.42 3hij s LEU 130 Ca 0.20 2.02 -0.27 0.00 -1.03 0.00 0.00 54.13 55.05 3hij s LEU 130 Cb 0.19 -4.55 -0.11 0.00 0.03 0.00 0.00 46.19 41.74 3hij s LEU 130 CO 0.54 -1.68 1.29 -2.65 0.23 0.00 0.00 176.35 174.08 3hij n PRO 131 N -2.46 2.09 -5.23 1.29 -0.02 -1.26 -4.85 135.00 124.56 3hij n PRO 131 Ca 0.10 0.74 -0.32 0.00 -2.02 0.00 0.00 63.50 62.00 3hij n PRO 131 Cb 0.52 -2.36 -0.17 0.00 -0.02 0.00 0.00 33.50 31.47 3hij n PRO 131 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hij s VAL 132 N -1.13 2.08 -0.20 -1.45 1.01 0.30 -1.67 120.40 119.35 3hij s VAL 132 Ca 0.57 -1.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 3hij s VAL 132 Cb -0.54 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 3hij s VAL 132 CO 0.61 0.56 -0.06 -0.32 0.00 0.00 0.00 175.10 175.90 3hij s MET 133 N 0.09 3.40 0.68 2.72 1.75 0.65 -1.42 119.30 127.18 3hij s MET 133 Ca -0.11 -0.62 -0.14 0.00 -1.25 0.00 0.00 55.69 53.56 3hij s MET 133 Cb -0.16 -2.95 0.01 0.00 2.84 0.00 0.00 34.83 34.58 3hij s MET 133 CO 0.06 -0.10 1.11 -0.51 -0.65 0.00 0.00 175.02 174.93 3hij s LEU 134 N 1.22 3.31 -0.19 4.11 1.43 -0.28 -0.43 118.68 127.85 3hij s LEU 134 Ca 0.03 1.97 -0.05 0.00 -1.03 0.00 0.00 54.13 55.04 3hij s LEU 134 Cb -0.14 -4.54 0.07 0.00 0.03 0.00 0.00 46.19 41.60 3hij s LEU 134 CO -0.02 -1.73 0.09 -0.47 0.23 0.00 0.00 176.35 174.46 3hij s TYR 135 N -2.46 0.30 -0.21 0.29 5.04 -0.43 -4.26 117.35 115.62 3hij s TYR 135 Ca 0.66 -0.46 -0.16 0.00 -2.44 0.00 0.00 57.07 54.66 3hij s TYR 135 Cb -0.20 -0.76 -0.04 0.00 0.35 0.00 0.00 41.96 41.31 3hij s TYR 135 CO 0.45 -0.57 0.41 1.21 -1.34 0.00 0.00 175.55 175.70 3hij s ASN 136 N 2.10 6.43 -0.46 4.32 2.47 -1.26 -1.06 114.94 127.49 3hij s ASN 136 Ca 0.03 0.50 0.07 0.00 0.42 0.00 0.00 52.86 53.88 3hij s ASN 136 Cb -0.16 -2.24 0.26 0.00 -1.45 0.00 0.00 41.25 37.66 3hij s ASN 136 CO -0.13 -0.10 0.82 0.55 -3.72 0.00 0.00 177.10 174.51 3hij n VAL 137 N 4.47 -0.18 0.03 -5.21 3.14 -1.26 0.32 118.33 119.64 3hij n VAL 137 Ca -0.08 -2.23 0.21 0.00 -2.96 0.00 0.00 64.34 59.28 3hij n VAL 137 Cb 0.51 0.59 0.73 0.00 -1.06 0.00 0.00 33.84 34.61 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 3.85 0.00 0.00 1.45 0.13 -1.81 0.29 132.00 135.91 3hij h PRO 138 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 3hij h PRO 138 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3hij h PRO 138 CO 0.35 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.53 3hij n GLY 139 N -1.57 -0.97 0.00 1.56 0.00 -1.26 -0.83 105.19 102.12 3hij n GLY 139 Ca 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.09 2.57 0.00 1.61 1.74 -0.21 -4.85 116.66 116.43 3hij n ARG 140 Ca 0.18 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.36 3hij n ARG 140 Cb 0.13 -0.94 -0.04 0.00 -1.02 0.00 0.00 32.46 30.59 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 -1.98 1.62 0.00 0.55 7.64 0.86 -4.71 113.62 117.61 3hij n SER 141 Ca 0.00 -1.31 0.00 0.00 1.01 0.00 0.00 58.87 58.57 3hij n SER 141 Cb 0.44 0.66 0.00 0.00 -1.01 0.00 0.00 64.21 64.30 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 -0.53 0.00 -1.37 0.44 2.08 -0.01 -4.27 119.36 115.71 3hij n ILE 142 Ca 0.07 0.00 -0.33 0.00 0.56 0.00 0.00 62.75 63.06 3hij n ILE 142 Cb 0.40 0.00 0.09 0.00 -0.75 0.00 0.00 39.64 39.38 3hij n ILE 142 CO 0.00 0.00 0.00 0.68 0.56 0.00 0.00 176.55 177.79 3hij s VAL 143 N 0.00 2.80 0.08 1.39 -7.23 -1.26 -4.71 120.40 111.46 3hij s VAL 143 Ca 0.00 0.33 0.09 0.00 -1.81 0.00 0.00 61.98 60.59 3hij s VAL 143 Cb 0.00 -2.77 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 3hij s VAL 143 CO 0.00 -0.27 -0.24 0.00 -0.31 0.00 0.00 175.10 174.28 3hij s GLN 144 N -4.33 1.44 -0.40 4.82 -2.07 -1.26 -3.68 119.66 114.18 3hij s GLN 144 Ca 0.68 -1.13 -0.29 0.00 -1.82 0.00 0.00 55.36 52.80 3hij s GLN 144 Cb -0.22 -1.69 0.01 0.00 -1.09 0.00 0.00 33.01 30.02 3hij s GLN 144 CO 0.49 0.42 1.28 0.42 -1.32 0.00 0.00 175.29 176.57 3hij s ILE 145 N -0.94 4.09 0.74 3.63 1.01 -1.26 -4.93 121.20 123.53 3hij s ILE 145 Ca 0.10 1.15 -0.14 0.00 0.00 0.00 0.00 60.65 61.76 3hij s ILE 145 Cb -0.10 -4.33 0.04 0.00 0.01 0.00 0.00 42.46 38.08 3hij s ILE 145 CO 0.03 -0.76 1.17 -0.94 0.00 0.00 0.00 174.94 174.45 3hij s SER 146 N 3.07 4.24 0.22 3.58 1.04 -1.26 -4.70 113.70 119.89 3hij s SER 146 Ca 0.55 2.24 -0.17 0.00 0.48 0.00 0.00 55.95 59.05 3hij s SER 146 Cb -0.12 -2.58 0.23 0.00 0.10 0.00 0.00 66.02 63.65 3hij s SER 146 CO 0.29 -2.23 1.58 0.58 0.98 0.00 0.00 173.24 174.45 3hij h VAL 147 N -0.46 0.13 -0.38 5.02 2.07 -1.95 0.64 116.25 121.33 3hij h VAL 147 Ca -0.47 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 3hij h VAL 147 Cb 1.28 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3hij h VAL 147 CO 0.50 0.00 0.02 0.44 0.02 0.00 0.00 177.57 178.54 3hij h ASP 148 N -0.07 0.56 -0.37 0.57 3.32 -1.99 0.26 116.42 118.70 3hij h ASP 148 Ca 0.31 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 57.16 3hij h ASP 148 Cb 0.58 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3hij h ASP 148 CO -0.81 0.62 -0.15 0.74 -1.72 0.00 0.00 179.24 177.92 3hij h THR 149 N 0.57 1.28 -0.14 0.35 2.02 -1.37 -0.26 112.91 115.36 3hij h THR 149 Ca 0.12 -1.26 0.03 0.00 0.77 0.00 0.00 66.41 66.08 3hij h THR 149 Cb 0.34 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 68.02 3hij h THR 149 CO 0.01 0.42 -0.08 0.58 0.37 0.00 0.00 175.52 176.82 3hij h VAL 150 N 0.56 0.75 -0.20 3.16 2.07 -0.06 0.28 116.25 122.79 3hij h VAL 150 Ca 0.09 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.66 3hij h VAL 150 Cb 0.69 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 3hij h VAL 150 CO 0.05 0.00 -0.10 0.58 0.02 0.00 0.00 177.57 178.11 3hij h VAL 151 N -0.08 0.67 -0.76 2.57 2.07 -0.42 0.18 116.25 120.49 3hij h VAL 151 Ca 0.08 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.67 3hij h VAL 151 Cb 0.20 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 3hij h VAL 151 CO -0.19 0.00 0.44 0.03 0.02 0.00 0.00 177.57 177.87 3hij h ARG 152 N -0.08 0.77 -0.13 1.57 3.08 -0.73 -2.19 114.38 116.67 3hij h ARG 152 Ca 0.11 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 3hij h ARG 152 Cb 0.25 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3hij h ARG 152 CO -0.26 0.51 -0.46 -0.07 -1.07 0.00 0.00 179.97 178.62 3hij h LEU 153 N 0.79 0.34 -2.37 3.04 3.38 0.00 -2.75 115.31 117.75 3hij h LEU 153 Ca 0.34 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3hij h LEU 153 Cb 0.22 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3hij h LEU 153 CO -0.20 0.75 0.00 0.77 0.09 0.00 0.00 178.44 179.86 3hij h SER 154 N 0.26 0.00 1.05 -0.43 4.64 -0.03 -0.43 113.55 118.61 3hij h SER 154 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3hij h SER 154 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 3hij h SER 154 CO 0.08 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.42 3hij n GLU 155 N -2.98 0.04 -2.50 4.77 1.02 -1.03 -4.71 120.64 115.24 3hij n GLU 155 Ca -0.02 0.04 -0.41 0.00 -0.02 0.00 0.00 57.16 56.75 3hij n GLU 155 Cb 0.14 -1.54 -0.04 0.00 -0.02 0.00 0.00 31.44 29.98 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 -3.01 4.01 0.23 -3.67 1.01 -0.17 -4.94 121.20 114.65 3hij s ILE 156 Ca 0.13 1.60 -0.07 0.00 0.00 0.00 0.00 60.65 62.32 3hij s ILE 156 Cb 0.18 -4.02 0.20 0.00 0.01 0.00 0.00 42.46 38.82 3hij s ILE 156 CO 0.53 0.22 1.71 -0.08 0.00 0.00 0.00 174.94 177.32 3hij h GLU 157 N 5.78 0.34 -0.34 2.79 4.81 -1.87 -2.20 114.58 123.90 3hij h GLU 157 Ca -0.43 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3hij h GLU 157 Cb 1.21 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3hij h GLU 157 CO 0.75 0.22 0.00 0.27 -0.73 0.00 0.00 179.01 179.53 3hij n ASN 158 N -5.07 2.69 -4.44 1.04 6.94 -1.26 -4.70 115.26 110.45 3hij n ASN 158 Ca 0.12 -1.90 -0.44 0.00 -0.02 0.00 0.00 54.58 52.35 3hij n ASN 158 Cb 0.38 -0.22 -0.07 0.00 -2.36 0.00 0.00 39.78 37.51 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 -1.56 4.98 -0.01 1.53 1.01 -0.83 0.11 121.20 126.44 3hij s ILE 159 Ca 0.36 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.43 3hij s ILE 159 Cb 0.20 -4.22 -0.00 0.00 0.01 0.00 0.00 42.46 38.45 3hij s ILE 159 CO 0.28 -0.69 0.01 1.33 0.00 0.00 0.00 174.94 175.86 3hij n VAL 160 N 5.51 0.00 -3.89 2.92 0.24 -0.51 -4.62 118.33 117.98 3hij n VAL 160 Ca -0.08 -0.35 -0.09 0.00 -2.04 0.00 0.00 64.34 61.78 3hij n VAL 160 Cb 0.45 0.85 -0.04 0.00 -1.47 0.00 0.00 33.84 33.64 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 -1.31 -0.66 0.00 2.33 0.00 -1.16 -1.44 121.76 119.53 3hij s ALA 161 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.40 3hij s ALA 161 Cb 0.00 0.95 0.00 0.00 0.00 0.00 0.00 23.12 24.07 3hij s ALA 161 CO 0.01 -0.87 0.00 1.51 0.00 0.00 0.00 175.76 176.40 3hij n ILE 162 N -0.38 0.00 -3.15 0.00 3.06 -0.64 -1.12 119.36 117.13 3hij n ILE 162 Ca -0.05 0.00 0.06 0.00 -2.50 0.00 0.00 62.75 60.26 3hij n ILE 162 Cb 0.61 0.00 -0.01 0.00 0.54 0.00 0.00 39.64 40.79 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 1.08 -0.17 -0.31 9.51 -1.08 -0.22 -0.67 116.67 124.82 3hij s ASP 164 Ca 0.00 0.05 0.10 0.00 -0.52 0.00 0.00 52.55 52.18 3hij s ASP 164 Cb 0.00 1.12 0.69 0.00 -1.46 0.00 0.00 42.92 43.27 3hij s ASP 164 CO 0.00 -0.03 1.73 0.00 0.52 0.00 0.00 175.17 177.38 3hij n ALA 165 N 5.19 4.39 0.40 3.66 0.00 0.15 -0.01 120.51 134.29 3hij n ALA 165 Ca 0.04 -2.47 0.11 0.00 0.00 0.00 0.00 53.44 51.12 3hij n ALA 165 Cb 0.57 -1.13 0.45 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.36 -1.18 2.19 0.00 0.00 -1.23 -4.61 105.19 99.99 3hij n GLY 166 Ca 0.38 0.06 -0.02 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.09 0.54 2.82 -0.02 0.00 -1.26 -4.98 105.19 102.18 3hij n GLY 167 Ca 0.02 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.40 3.81 0.45 1.61 -1.08 -1.26 -4.99 116.67 112.81 3hij s ASP 168 Ca 0.00 -1.39 0.30 0.00 -0.52 0.00 0.00 52.55 50.94 3hij s ASP 168 Cb 0.00 -0.96 1.25 0.00 -1.46 0.00 0.00 42.92 41.75 3hij s ASP 168 CO 0.00 -0.34 1.89 -0.37 0.52 0.00 0.00 175.17 176.87 3hij h VAL 169 N 6.55 0.00 -0.10 1.11 -1.51 -1.97 -2.80 116.25 117.54 3hij h VAL 169 Ca -0.14 -0.39 -0.22 0.00 -1.23 0.00 0.00 66.70 64.72 3hij h VAL 169 Cb 1.05 1.29 0.01 0.00 -2.13 0.00 0.00 31.29 31.51 3hij h VAL 169 CO 0.43 0.00 -0.81 -0.07 -1.23 0.00 0.00 177.57 175.89 3hij h LEU 170 N 0.00 0.76 -0.40 4.19 3.38 -1.98 0.19 115.31 121.45 3hij h LEU 170 Ca 0.00 -0.52 -0.08 0.00 0.09 0.00 0.00 57.88 57.37 3hij h LEU 170 Cb 0.44 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3hij h LEU 170 CO 0.00 1.30 -0.07 0.71 0.09 0.00 0.00 178.44 180.47 3hij h THR 171 N 0.41 1.27 -0.51 0.22 1.35 -1.97 -1.27 112.91 112.41 3hij h THR 171 Ca -0.06 -1.14 0.10 0.00 -0.55 0.00 0.00 66.41 64.77 3hij h THR 171 Cb 1.43 1.19 -0.09 0.00 -1.73 0.00 0.00 68.15 68.95 3hij h THR 171 CO 0.16 0.38 -0.05 0.24 -0.25 0.00 0.00 175.52 176.00 3hij h MET 172 N 0.57 0.06 -0.80 4.72 2.86 -1.45 0.45 114.93 121.34 3hij h MET 172 Ca 0.10 -0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.90 3hij h MET 172 Cb 0.58 -0.01 -0.10 0.00 0.06 0.00 0.00 31.60 32.12 3hij h MET 172 CO 0.03 0.04 0.33 1.15 1.06 0.00 0.00 176.91 179.53 3hij h THR 173 N 0.06 0.63 -0.07 2.22 2.02 -0.41 0.93 112.91 118.30 3hij h THR 173 Ca 0.25 -0.16 -0.18 0.00 0.77 0.00 0.00 66.41 67.09 3hij h THR 173 Cb 0.39 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3hij h THR 173 CO -0.47 0.08 -0.73 -0.08 0.37 0.00 0.00 175.52 174.70 3hij h GLU 174 N 0.46 0.36 -0.29 6.66 4.81 -0.18 -1.24 114.58 125.16 3hij h GLU 174 Ca 0.45 -0.30 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 3hij h GLU 174 Cb 0.71 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 3hij h GLU 174 CO -0.42 0.94 0.05 0.82 -0.73 0.00 0.00 179.01 179.66 3hij h ILE 175 N 0.24 1.23 -0.37 2.32 2.04 -0.25 -1.66 117.51 121.07 3hij h ILE 175 Ca -0.03 -0.80 0.05 0.00 1.00 0.00 0.00 64.86 65.09 3hij h ILE 175 Cb 1.30 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 38.52 3hij h ILE 175 CO 0.12 0.26 0.09 0.40 0.00 0.00 0.00 178.15 179.02 3hij h ILE 176 N 0.31 0.84 -0.05 -0.67 2.04 -0.60 -1.92 117.51 117.45 3hij h ILE 176 Ca 0.09 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 3hij h ILE 176 Cb 0.34 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 3hij h ILE 176 CO 0.01 0.04 0.01 -0.08 0.00 0.00 0.00 178.15 178.13 3hij h GLU 177 N 0.22 0.08 0.00 2.37 4.81 -1.05 -3.23 114.58 117.78 3hij h GLU 177 Ca 0.17 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3hij h GLU 177 Cb 0.19 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.56 3hij h GLU 177 CO -0.21 0.26 0.00 0.87 -0.73 0.00 0.00 179.01 179.20 3hij h LYS 178 N -0.12 0.00 -6.37 1.92 1.57 -1.21 -3.45 116.57 108.91 3hij h LYS 178 Ca 0.02 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.32 3hij h LYS 178 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3hij h LYS 178 CO -0.00 0.00 -0.29 0.95 -0.57 0.00 0.00 179.45 179.54 3hij s THR 179 N -3.16 5.17 1.09 -0.16 -4.23 -0.73 -5.00 115.64 108.62 3hij s THR 179 Ca 0.09 -0.67 -0.12 0.00 -1.18 0.00 0.00 61.69 59.81 3hij s THR 179 Cb 0.10 -3.85 0.23 0.00 1.34 0.00 0.00 72.50 70.32 3hij s THR 179 CO 0.59 -0.45 0.98 0.00 -0.54 0.00 0.00 174.62 175.21 3hij n ALA 180 N -1.57 -2.33 0.31 3.99 0.00 -1.26 -4.89 120.51 114.76 3hij n ALA 180 Ca -0.06 -0.98 0.16 0.00 0.00 0.00 0.00 53.44 52.56 3hij n ALA 180 Cb 0.56 -2.03 0.65 0.00 0.00 0.00 0.00 19.45 18.63 3hij n ALA 180 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3hij h ASP 181 N -2.39 0.00 -0.45 0.00 3.45 -1.96 -2.62 116.42 112.46 3hij h ASP 181 Ca -0.55 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.91 3hij h ASP 181 Cb 1.31 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.08 3hij h ASP 181 CO 0.45 0.00 0.00 -0.90 -1.57 0.00 0.00 179.24 177.22 3hij n ASP 182 N -2.89 3.61 -4.58 6.45 5.68 -1.26 -4.78 116.55 118.78 3hij n ASP 182 Ca 0.01 -2.36 -0.38 0.00 -0.50 0.00 0.00 54.79 51.56 3hij n ASP 182 Cb 0.28 -0.50 -0.11 0.00 -1.14 0.00 0.00 41.12 39.65 3hij n ASP 182 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 3hij s PHE 183 N -1.81 3.21 -0.14 2.11 5.36 -0.99 -4.88 117.98 120.84 3hij s PHE 183 Ca 0.36 0.07 -0.13 0.00 -0.96 0.00 0.00 56.93 56.28 3hij s PHE 183 Cb 0.24 -2.38 -0.05 0.00 -0.34 0.00 0.00 43.02 40.50 3hij s PHE 183 CO 0.17 -0.18 0.28 0.00 -1.46 0.00 0.00 175.22 174.02 3hij s ALA 184 N 1.75 3.64 -0.20 11.12 0.00 -0.52 -4.93 121.76 132.62 3hij s ALA 184 Ca 0.07 -0.47 -0.05 0.00 0.00 0.00 0.00 51.96 51.51 3hij s ALA 184 Cb -0.16 -2.33 -0.02 0.00 0.00 0.00 0.00 23.12 20.61 3hij s ALA 184 CO 0.11 0.20 -0.00 0.08 0.00 0.00 0.00 175.76 176.14 3hij s VAL 185 N 0.12 3.93 0.01 0.00 1.01 -1.26 -1.62 120.40 122.58 3hij s VAL 185 Ca 0.16 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.86 3hij s VAL 185 Cb -0.13 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 3hij s VAL 185 CO 0.04 0.43 -0.08 -0.31 0.00 0.00 0.00 175.10 175.18 3hij s TYR 186 N 1.03 2.86 0.49 5.22 2.02 0.16 0.07 117.35 129.19 3hij s TYR 186 Ca 0.02 -0.06 -0.21 0.00 -0.37 0.00 0.00 57.07 56.45 3hij s TYR 186 Cb -0.14 -1.59 -0.07 0.00 -0.40 0.00 0.00 41.96 39.75 3hij s TYR 186 CO 0.02 0.36 1.11 0.45 -1.57 0.00 0.00 175.55 175.92 3hij s SER 187 N -1.43 6.10 -0.08 2.29 0.15 0.06 -1.05 113.70 119.75 3hij s SER 187 Ca 0.17 2.14 0.16 0.00 0.70 0.00 0.00 55.95 59.12 3hij s SER 187 Cb -0.11 -2.58 0.54 0.00 -1.71 0.00 0.00 66.02 62.16 3hij s SER 187 CO 0.07 -0.96 1.46 0.61 1.20 0.00 0.00 173.24 175.63 3hij n GLY 188 N 0.16 2.99 2.89 9.45 0.00 0.99 -1.64 105.19 120.02 3hij n GLY 188 Ca 0.09 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.15 2.87 0.23 1.61 1.01 -1.26 -4.66 116.67 115.32 3hij s ASP 189 Ca 0.40 -0.68 -0.06 0.00 0.71 0.00 0.00 52.55 52.92 3hij s ASP 189 Cb 0.26 -0.92 0.41 0.00 1.01 0.00 0.00 42.92 43.68 3hij s ASP 189 CO 0.20 -0.19 1.71 0.44 0.21 0.00 0.00 175.17 177.54 3hij h ASP 190 N 8.11 0.12 0.42 0.27 3.32 -1.91 -1.14 116.42 125.61 3hij h ASP 190 Ca -0.24 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 3hij h ASP 190 Cb 1.11 0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.79 3hij h ASP 190 CO 0.40 0.04 -0.13 1.23 -1.72 0.00 0.00 179.24 179.05 3hij h GLY 191 N 0.34 0.00 -0.68 2.75 0.00 -1.93 0.26 103.07 103.82 3hij h GLY 191 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 3hij h GLY 191 CO -0.43 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.15 3hij n LEU 192 N -3.63 1.51 -0.30 3.11 4.77 -0.44 -4.48 117.00 117.53 3hij n LEU 192 Ca -0.02 -0.63 -0.10 0.00 -0.03 0.00 0.00 56.01 55.24 3hij n LEU 192 Cb 0.26 -0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.18 3hij n LEU 192 CO 0.31 0.31 0.51 0.74 -1.33 0.00 0.00 177.39 177.93 3hij h THR 193 N 2.01 0.02 -0.13 -5.08 2.02 -0.82 0.10 112.91 111.03 3hij h THR 193 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3hij h THR 193 Cb 0.44 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.86 3hij h THR 193 CO 0.00 0.00 -0.01 0.25 0.37 0.00 0.00 175.52 176.13 3hij h LEU 194 N -0.15 0.23 -0.96 2.58 5.85 -1.83 -0.88 115.31 120.15 3hij h LEU 194 Ca 0.16 -0.33 -0.11 0.00 0.84 0.00 0.00 57.88 58.45 3hij h LEU 194 Cb 0.51 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3hij h LEU 194 CO -0.81 0.50 -0.46 1.55 -0.34 0.00 0.00 178.44 178.89 3hij h PRO 195 N -0.05 0.13 -0.36 5.25 0.13 -1.79 0.92 132.00 136.23 3hij h PRO 195 Ca 0.04 -0.07 -0.10 0.00 -0.87 0.00 0.00 66.00 65.00 3hij h PRO 195 Cb 0.39 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 3hij h PRO 195 CO 0.01 0.57 -0.16 0.00 -0.23 0.00 0.00 178.00 178.18 3hij h ALA 196 N 1.43 0.51 -0.43 -0.56 0.00 -0.70 -2.72 119.26 116.78 3hij h ALA 196 Ca 0.01 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 3hij h ALA 196 Cb 0.86 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3hij h ALA 196 CO 0.07 0.43 -0.14 0.52 0.00 0.00 0.00 179.25 180.13 3hij h MET 197 N 0.54 0.79 -1.03 0.00 2.86 -0.75 0.12 114.93 117.47 3hij h MET 197 Ca 0.08 -0.28 0.27 0.00 -2.06 0.00 0.00 59.70 57.71 3hij h MET 197 Cb 0.70 -0.06 -0.12 0.00 0.06 0.00 0.00 31.60 32.19 3hij h MET 197 CO 0.05 0.89 0.63 0.00 1.06 0.00 0.00 176.91 179.54 3hij h ALA 198 N 1.13 2.01 -0.10 6.32 0.00 -0.67 -0.30 119.26 127.66 3hij h ALA 198 Ca 0.11 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hij h ALA 198 Cb 0.63 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3hij h ALA 198 CO 0.04 -0.48 0.00 1.33 0.00 0.00 0.00 179.25 180.14 3hij n VAL 199 N -4.79 0.12 0.00 0.00 0.24 -0.73 -4.90 118.33 108.26 3hij n VAL 199 Ca 0.27 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 3hij n VAL 199 Cb 0.85 0.71 0.00 0.00 -1.47 0.00 0.00 33.84 33.92 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 1.23 1.26 3.76 7.63 0.00 -0.12 -4.86 105.19 114.10 3hij n GLY 200 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 3.00 0.33 4.61 0.00 0.35 -4.81 121.76 123.24 3hij s ALA 201 Ca 0.00 1.27 0.11 0.00 0.00 0.00 0.00 51.96 53.34 3hij s ALA 201 Cb 0.00 -3.52 0.57 0.00 0.00 0.00 0.00 23.12 20.17 3hij s ALA 201 CO 0.00 -1.11 1.74 -0.22 0.00 0.00 0.00 175.76 176.17 3hij h LYS 202 N 1.94 0.02 0.00 0.00 3.64 -0.69 -3.39 116.57 118.09 3hij h LYS 202 Ca -0.50 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3hij h LYS 202 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 3hij h LYS 202 CO 0.59 0.48 0.00 0.41 -2.27 0.00 0.00 179.45 178.66 3hij n GLY 203 N -0.19 -0.58 2.98 5.01 0.00 -1.25 -4.51 105.19 106.64 3hij n GLY 203 Ca -0.02 -0.55 -0.20 0.00 0.00 0.00 0.00 46.02 45.26 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 0.70 -0.39 -0.61 1.10 -0.36 -0.76 121.20 116.88 3hij s ILE 204 Ca 0.00 -0.31 -0.19 0.00 -0.51 0.00 0.00 60.65 59.64 3hij s ILE 204 Cb 0.00 -0.63 0.01 0.00 0.15 0.00 0.00 42.46 42.00 3hij s ILE 204 CO 0.00 0.22 0.53 -0.69 -2.11 0.00 0.00 174.94 172.89 3hij s VAL 205 N 0.21 4.98 0.17 4.00 1.01 -0.65 -1.05 120.40 129.06 3hij s VAL 205 Ca -0.03 0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.14 3hij s VAL 205 Cb -0.08 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 3hij s VAL 205 CO 0.00 -0.38 -0.09 -0.55 0.00 0.00 0.00 175.10 174.09 3hij s SER 206 N 1.84 4.32 -0.13 3.32 0.15 0.61 -4.47 113.70 119.34 3hij s SER 206 Ca 0.18 -0.53 -0.02 0.00 0.70 0.00 0.00 55.95 56.28 3hij s SER 206 Cb -0.15 -0.76 -0.07 0.00 -1.71 0.00 0.00 66.02 63.32 3hij s SER 206 CO 0.15 0.11 -0.13 0.52 1.20 0.00 0.00 173.24 175.09 3hij n VAL 207 N 0.13 0.72 0.32 4.45 0.31 -1.26 -1.11 118.33 121.89 3hij n VAL 207 Ca -0.11 -0.24 0.20 0.00 -0.01 0.00 0.00 64.34 64.18 3hij n VAL 207 Cb 0.55 -1.23 1.10 0.00 -0.91 0.00 0.00 33.84 33.35 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 -0.19 1.12 0.00 3.52 0.00 -1.97 -2.15 119.26 119.60 3hij h ALA 208 Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3hij h ALA 208 Cb 1.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3hij h ALA 208 CO -0.11 0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.02 3hij n SER 209 N -3.27 0.31 0.24 0.00 3.41 -1.26 -0.48 113.62 112.57 3hij n SER 209 Ca -0.03 0.62 0.11 0.00 -0.26 0.00 0.00 58.87 59.31 3hij n SER 209 Cb 0.10 -0.67 0.58 0.00 -0.26 0.00 0.00 64.21 63.96 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 0.00 0.00 7.33 3.86 -1.72 -2.96 115.15 121.66 3hij h HIS 210 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3hij h HIS 210 Cb 0.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.58 3hij h HIS 210 CO 0.00 0.19 -0.74 1.33 0.86 0.00 0.00 177.93 179.57 3hij n VAL 211 N -3.56 0.00 -2.48 2.45 0.24 0.37 -4.83 118.33 110.52 3hij n VAL 211 Ca -0.01 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.25 3hij n VAL 211 Cb 0.34 0.29 0.05 0.00 -1.47 0.00 0.00 33.84 33.05 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 -1.15 1.35 -0.26 1.34 -5.35 0.22 -4.88 119.36 110.64 3hij n ILE 212 Ca 0.00 -2.81 -0.02 0.00 -0.27 0.00 0.00 62.75 59.65 3hij n ILE 212 Cb 0.03 0.59 0.18 0.00 -1.74 0.00 0.00 39.64 38.69 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 2.03 1.16 1.00 3.28 0.00 -1.65 -1.29 103.07 107.60 3hij h GLY 213 Ca -0.04 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 3hij h GLY 213 CO 0.27 0.48 0.39 3.43 0.00 0.00 0.00 176.54 181.10 3hij h ASN 214 N 1.10 0.84 -0.31 0.19 2.35 -1.84 -1.25 115.58 116.66 3hij h ASN 214 Ca 0.28 -0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.87 3hij h ASN 214 Cb -0.02 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 3hij h ASN 214 CO -0.05 0.68 -0.06 -0.33 -1.65 0.00 0.00 177.43 176.02 3hij h GLU 215 N 0.93 0.70 0.04 0.81 3.07 -1.80 -1.18 114.58 117.15 3hij h GLU 215 Ca 0.24 -0.20 -0.00 0.00 -0.50 0.00 0.00 59.36 58.90 3hij h GLU 215 Cb 0.01 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 27.85 3hij h GLU 215 CO -0.04 0.75 -0.02 0.52 -1.40 0.00 0.00 179.01 178.82 3hij h MET 216 N 0.64 -0.06 -0.65 2.33 2.86 -0.86 0.19 114.93 119.39 3hij h MET 216 Ca 0.12 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.84 3hij h MET 216 Cb 0.49 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.10 3hij h MET 216 CO 0.03 -0.01 0.33 1.96 1.06 0.00 0.00 176.91 180.28 3hij h GLN 217 N -0.09 0.58 -0.50 1.72 1.08 -0.92 0.24 115.11 117.23 3hij h GLN 217 Ca -0.01 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 3hij h GLN 217 Cb 0.07 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 3hij h GLN 217 CO 0.01 0.39 0.29 0.93 -0.95 0.00 0.00 178.83 179.49 3hij h GLU 218 N 0.60 0.68 -0.33 1.46 5.08 -0.76 -0.44 114.58 120.87 3hij h GLU 218 Ca 0.31 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.65 3hij h GLU 218 Cb 0.26 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 3hij h GLU 218 CO -0.22 0.51 0.03 1.98 -1.00 0.00 0.00 179.01 180.31 3hij h MET 219 N 0.66 0.13 -0.20 2.33 4.05 -0.28 0.32 114.93 121.94 3hij h MET 219 Ca 0.18 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.58 3hij h MET 219 Cb 0.02 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 3hij h MET 219 CO -0.03 0.09 0.08 0.82 0.23 0.00 0.00 176.91 178.09 3hij h ILE 220 N 0.13 1.17 -0.54 1.77 2.04 -0.65 -0.07 117.51 121.36 3hij h ILE 220 Ca 0.16 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 3hij h ILE 220 Cb 0.20 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 3hij h ILE 220 CO -0.24 0.16 0.32 0.00 0.00 0.00 0.00 178.15 178.40 3hij h ALA 221 N 0.92 0.69 -0.43 1.87 0.00 -0.92 -0.19 119.26 121.20 3hij h ALA 221 Ca 0.07 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3hij h ALA 221 Cb 0.19 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3hij h ALA 221 CO -0.00 0.17 0.20 0.00 0.00 0.00 0.00 179.25 179.62 3hij h ALA 222 N 1.16 0.53 0.38 0.00 0.00 -0.17 -1.96 119.26 119.20 3hij h ALA 222 Ca 0.19 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3hij h ALA 222 Cb -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3hij h ALA 222 CO -0.04 -0.17 -0.25 0.35 0.00 0.00 0.00 179.25 179.15 3hij h PHE 223 N 0.40 -0.66 -0.02 0.00 3.57 -0.63 0.20 116.94 119.81 3hij h PHE 223 Ca 0.19 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.69 3hij h PHE 223 Cb 0.12 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 3hij h PHE 223 CO -0.11 -0.38 0.03 1.96 -2.23 0.00 0.00 178.31 177.57 3hij h GLN 224 N -0.61 0.00 -0.01 1.11 4.20 -0.88 0.12 115.11 119.04 3hij h GLN 224 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3hij h GLN 224 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 3hij h GLN 224 CO 0.03 0.00 -0.15 0.00 -0.67 0.00 0.00 178.83 178.04 3hij n ALA 225 N -2.24 2.86 -1.03 3.87 0.00 -0.75 -4.93 120.51 118.29 3hij n ALA 225 Ca -0.02 -0.44 -0.01 0.00 0.00 0.00 0.00 53.44 52.97 3hij n ALA 225 Cb 0.11 -1.13 -0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 1.27 0.49 3.28 0.00 0.00 0.43 -4.96 105.19 105.70 3hij n GLY 226 Ca 0.15 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 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 3.21 -0.10 1.61 1.02 0.64 -4.83 120.64 119.33 3hij n GLU 227 Ca -0.01 -3.28 -0.13 0.00 -0.02 0.00 0.00 57.16 53.72 3hij n GLU 227 Cb 0.05 -3.29 -0.04 0.00 -0.02 0.00 0.00 31.44 28.15 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 6.91 0.91 -0.38 -0.32 0.04 -1.90 -0.91 116.94 121.30 3hij h PHE 228 Ca 0.44 -0.27 -0.09 0.00 2.80 0.00 0.00 57.97 60.86 3hij h PHE 228 Cb 0.79 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.73 3hij h PHE 228 CO 1.34 1.03 -0.12 -0.22 -0.60 0.00 0.00 178.31 179.74 3hij h LYS 229 N 0.53 0.67 -0.22 1.51 1.63 -1.96 -1.05 116.57 117.68 3hij h LYS 229 Ca 0.05 -0.22 -0.03 0.00 -0.85 0.00 0.00 60.65 59.61 3hij h LYS 229 Cb 0.86 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.43 3hij h LYS 229 CO 0.07 0.77 0.03 -0.22 -3.45 0.00 0.00 179.45 176.66 3hij h LYS 230 N 0.61 0.36 -1.00 1.90 1.63 -1.89 -2.24 116.57 115.94 3hij h LYS 230 Ca 0.11 -0.10 0.08 0.00 -0.85 0.00 0.00 60.65 59.89 3hij h LYS 230 Cb 0.57 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 32.08 3hij h LYS 230 CO 0.04 0.52 0.64 0.00 -3.45 0.00 0.00 179.45 177.19 3hij h ALA 231 N 0.83 1.43 -0.22 5.00 0.00 -0.79 -2.61 119.26 122.90 3hij h ALA 231 Ca 0.06 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 3hij h ALA 231 Cb 0.33 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hij h ALA 231 CO 0.01 0.36 -0.46 1.96 0.00 0.00 0.00 179.25 181.12 3hij h GLN 232 N 1.11 0.71 -0.38 0.00 4.20 -1.04 0.35 115.11 120.06 3hij h GLN 232 Ca 0.45 -0.46 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3hij h GLN 232 Cb 0.28 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3hij h GLN 232 CO -0.21 1.09 0.25 -0.22 -0.67 0.00 0.00 178.83 179.07 3hij h LYS 233 N 0.43 0.51 -0.19 1.46 3.64 -1.28 -0.03 116.57 121.10 3hij h LYS 233 Ca 0.01 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.19 3hij h LYS 233 Cb 1.07 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.77 3hij h LYS 233 CO 0.10 0.34 -0.57 -0.07 -2.27 0.00 0.00 179.45 176.98 3hij h LEU 234 N 0.52 0.66 -0.63 5.20 3.38 -1.14 -2.44 115.31 120.87 3hij h LEU 234 Ca 0.14 -0.36 0.11 0.00 0.09 0.00 0.00 57.88 57.86 3hij h LEU 234 Cb -0.06 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.42 3hij h LEU 234 CO -0.03 1.09 0.19 -0.74 0.09 0.00 0.00 178.44 179.03 3hij h HIS 235 N 0.45 0.31 -0.97 1.13 2.76 -0.12 0.39 115.15 119.10 3hij h HIS 235 Ca 0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 3hij h HIS 235 Cb 1.12 -0.04 -0.05 0.00 1.55 0.00 0.00 27.41 29.99 3hij h HIS 235 CO 0.05 0.02 0.61 1.96 -1.30 0.00 0.00 177.93 179.27 3hij h GLN 236 N 0.33 1.30 -0.08 5.26 4.20 -0.75 0.13 115.11 125.50 3hij h GLN 236 Ca 0.33 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 3hij h GLN 236 Cb 0.47 -0.28 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 3hij h GLN 236 CO -0.37 0.89 0.02 1.25 -0.67 0.00 0.00 178.83 179.95 3hij h LEU 237 N 1.33 0.13 -0.62 1.46 5.85 -0.84 -2.29 115.31 120.33 3hij h LEU 237 Ca 0.35 -0.21 0.11 0.00 0.84 0.00 0.00 57.88 58.97 3hij h LEU 237 Cb -0.10 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 40.81 3hij h LEU 237 CO -0.07 0.31 0.16 0.25 -0.34 0.00 0.00 178.44 178.75 3hij h LEU 238 N -0.06 0.07 -0.28 2.25 5.85 0.30 -0.58 115.31 122.85 3hij h LEU 238 Ca 0.03 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 3hij h LEU 238 Cb 0.23 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3hij h LEU 238 CO -0.00 0.04 0.00 0.58 -0.34 0.00 0.00 178.44 178.72 3hij h VAL 239 N 0.30 1.25 -0.07 1.05 2.07 -0.64 0.12 116.25 120.33 3hij h VAL 239 Ca 0.33 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 3hij h VAL 239 Cb 0.48 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 3hij h VAL 239 CO -0.39 0.29 0.03 -0.09 0.02 0.00 0.00 177.57 177.43 3hij h ARG 240 N 0.29 0.09 -0.44 1.57 2.43 -1.15 -0.42 114.38 116.75 3hij h ARG 240 Ca 0.08 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3hij h ARG 240 Cb 0.42 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 3hij h ARG 240 CO 0.01 0.18 0.26 0.28 -1.51 0.00 0.00 179.97 179.20 3hij h VAL 241 N -0.01 1.14 -0.33 0.20 2.07 -1.03 -2.57 116.25 115.71 3hij h VAL 241 Ca 0.02 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.24 3hij h VAL 241 Cb 0.12 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3hij h VAL 241 CO -0.00 0.15 0.14 0.74 0.02 0.00 0.00 177.57 178.61 3hij h THR 242 N 0.59 0.95 -0.49 2.57 2.02 -0.44 -2.35 112.91 115.75 3hij h THR 242 Ca 0.16 -0.10 0.04 0.00 0.77 0.00 0.00 66.41 67.27 3hij h THR 242 Cb 0.00 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 3hij h THR 242 CO -0.03 0.05 0.26 0.44 0.37 0.00 0.00 175.52 176.62 3hij h ASP 243 N 0.30 0.39 0.09 4.18 3.32 -0.97 -0.66 116.42 123.06 3hij h ASP 243 Ca 0.14 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 3hij h ASP 243 Cb 0.09 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 3hij h ASP 243 CO -0.12 0.27 -0.04 0.77 -1.72 0.00 0.00 179.24 178.40 3hij h SER 244 N 0.52 0.00 0.60 6.45 4.64 -1.02 -1.75 113.55 122.99 3hij h SER 244 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3hij h SER 244 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3hij h SER 244 CO -0.13 0.04 -0.06 0.18 -0.87 0.00 0.00 176.83 175.98 3hij n LEU 245 N -3.88 0.15 -0.08 5.97 4.32 -0.28 -3.29 117.00 119.90 3hij n LEU 245 Ca -0.03 0.24 0.09 0.00 -0.02 0.00 0.00 56.01 56.29 3hij n LEU 245 Cb 0.12 -0.30 0.13 0.00 -1.62 0.00 0.00 43.42 41.75 3hij n LEU 245 CO 0.29 0.03 0.55 0.49 -1.22 0.00 0.00 177.39 177.53 3hij n PHE 246 N -1.26 0.00 1.15 -1.77 3.72 -0.67 -4.47 117.46 114.15 3hij n PHE 246 Ca 0.12 -0.93 0.14 0.00 -0.05 0.00 0.00 57.45 56.73 3hij n PHE 246 Cb 0.28 -0.14 0.66 0.00 -0.94 0.00 0.00 39.48 39.34 3hij n PHE 246 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3hij n MET 247 N -1.32 0.18 -4.00 -1.08 2.81 -1.16 -4.77 117.12 107.77 3hij n MET 247 Ca 0.14 0.01 -0.08 0.00 -1.81 0.00 0.00 57.70 55.96 3hij n MET 247 Cb 0.61 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.54 3hij n MET 247 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hij s ALA 248 N -2.82 0.23 0.02 3.04 0.00 -1.26 -5.11 121.76 115.87 3hij s ALA 248 Ca 0.20 -0.99 -0.36 0.00 0.00 0.00 0.00 51.96 50.81 3hij s ALA 248 Cb 0.19 0.47 -0.15 0.00 0.00 0.00 0.00 23.12 23.63 3hij s ALA 248 CO 0.49 -0.46 1.58 -2.30 0.00 0.00 0.00 175.76 175.07 3hij n PRO 249 N -0.00 1.66 -2.35 0.00 -0.02 -1.26 -4.68 135.00 128.34 3hij n PRO 249 Ca -0.13 0.60 -0.38 0.00 -2.02 0.00 0.00 63.50 61.57 3hij n PRO 249 Cb 0.62 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 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 1.75 6.61 -0.23 2.55 0.15 -1.26 -2.32 113.70 120.94 3hij s SER 250 Ca 0.86 2.28 0.15 0.00 0.70 0.00 0.00 55.95 59.94 3hij s SER 250 Cb -0.84 -2.61 0.74 0.00 -1.71 0.00 0.00 66.02 61.60 3hij s SER 250 CO 0.48 -0.61 1.66 -0.81 1.20 0.00 0.00 173.24 175.16 3hij n PRO 251 N 0.11 4.27 -0.23 5.44 -0.04 -1.26 -4.94 135.00 138.35 3hij n PRO 251 Ca 0.04 -3.08 -0.01 0.00 -0.04 0.00 0.00 63.50 60.42 3hij n PRO 251 Cb 0.47 -2.15 0.11 0.00 -0.04 0.00 0.00 33.50 31.89 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 3.29 0.90 -0.56 0.52 2.02 -1.77 -0.90 112.91 116.39 3hij h THR 252 Ca 0.01 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 3hij h THR 252 Cb 1.85 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.48 3hij h THR 252 CO 0.43 0.11 0.35 -0.65 0.37 0.00 0.00 175.52 176.12 3hij h PRO 253 N 0.60 0.76 -0.46 6.66 0.11 -1.79 -0.12 132.00 137.74 3hij h PRO 253 Ca 0.31 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 66.22 3hij h PRO 253 Cb 0.27 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 3hij h PRO 253 CO -0.23 0.54 -0.24 -0.24 -0.21 0.00 0.00 178.00 177.62 3hij h VAL 254 N 0.76 1.27 -0.99 3.15 3.04 -1.71 0.13 116.25 121.89 3hij h VAL 254 Ca 0.20 -1.40 0.08 0.00 -1.01 0.00 0.00 66.70 64.57 3hij h VAL 254 Cb -0.03 1.16 -0.07 0.00 -2.01 0.00 0.00 31.29 30.34 3hij h VAL 254 CO -0.04 0.48 0.64 0.11 -1.01 0.00 0.00 177.57 177.75 3hij h LYS 255 N 0.83 1.07 -0.15 4.17 1.57 -1.02 -0.80 116.57 122.25 3hij h LYS 255 Ca 0.10 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.67 3hij h LYS 255 Cb 0.81 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 3hij h LYS 255 CO 0.07 0.71 -0.54 1.15 -0.57 0.00 0.00 179.45 180.27 3hij h THR 256 N 1.11 1.34 -0.52 -0.16 2.02 -0.39 -2.53 112.91 113.77 3hij h THR 256 Ca 0.45 -1.80 -0.12 0.00 0.77 0.00 0.00 66.41 65.71 3hij h THR 256 Cb 0.27 1.81 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 3hij h THR 256 CO -0.20 0.55 -0.13 0.00 0.37 0.00 0.00 175.52 176.12 3hij h ALA 257 N 1.07 0.79 -0.32 6.16 0.00 -0.37 -0.89 119.26 125.70 3hij h ALA 257 Ca 0.01 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.57 3hij h ALA 257 Cb 1.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3hij h ALA 257 CO 0.10 0.67 0.20 -0.07 0.00 0.00 0.00 179.25 180.14 3hij h LEU 258 N 0.88 0.33 -0.67 0.00 3.38 -1.09 -1.47 115.31 116.66 3hij h LEU 258 Ca 0.13 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.17 3hij h LEU 258 Cb 0.69 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 3hij h LEU 258 CO 0.05 0.24 0.36 -0.61 0.09 0.00 0.00 178.44 178.56 3hij h GLN 259 N 0.40 0.63 -0.20 1.13 -0.00 -1.13 0.84 115.11 116.77 3hij h GLN 259 Ca 0.12 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 58.71 3hij h GLN 259 Cb -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 27.48 27.31 3hij h GLN 259 CO -0.05 0.42 0.03 0.52 0.00 0.00 0.00 178.83 179.74 3hij h MET 260 N 0.65 0.29 -0.67 1.69 2.86 -0.65 -1.65 114.93 117.44 3hij h MET 260 Ca 0.31 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.89 3hij h MET 260 Cb 0.24 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 3hij h MET 260 CO -0.21 0.29 0.02 1.33 1.06 0.00 0.00 176.91 179.41 3hij n VAL 261 N -4.39 2.32 -0.57 -2.22 0.24 -0.60 -4.92 118.33 108.18 3hij n VAL 261 Ca 0.00 -1.18 0.00 0.00 -2.04 0.00 0.00 64.34 61.12 3hij n VAL 261 Cb 0.16 -0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.20 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 0.45 0.69 2.82 7.63 0.00 -0.62 -5.03 105.19 111.14 3hij n GLY 262 Ca 0.24 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 3hij n GLY 262 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hij s LEU 263 N 0.00 3.57 -0.23 0.99 0.20 0.23 -4.98 118.68 118.46 3hij s LEU 263 Ca 0.00 -2.94 -0.27 0.00 0.69 0.00 0.00 54.13 51.61 3hij s LEU 263 Cb 0.00 -1.34 0.00 0.00 -0.43 0.00 0.00 46.19 44.43 3hij s LEU 263 CO 0.00 -0.23 0.94 -0.62 -0.29 0.00 0.00 176.35 176.15 3hij s ASP 264 N -0.13 6.99 -0.16 3.68 -1.08 -1.26 -2.48 116.67 122.23 3hij s ASP 264 Ca 0.19 1.24 0.18 0.00 -0.52 0.00 0.00 52.55 53.63 3hij s ASP 264 Cb -0.22 -2.49 0.41 0.00 -1.46 0.00 0.00 42.92 39.16 3hij s ASP 264 CO -0.02 -0.58 1.28 1.33 0.52 0.00 0.00 175.17 177.70 3hij n VAL 265 N 5.23 2.10 -4.37 1.11 0.24 -1.26 -4.96 118.33 116.42 3hij n VAL 265 Ca 0.09 -2.13 0.00 0.00 -2.04 0.00 0.00 64.34 60.26 3hij n VAL 265 Cb 0.47 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.59 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 -1.00 -0.62 0.00 7.63 0.00 -1.24 -1.71 105.19 108.25 3hij n GLY 266 Ca 0.19 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.09 0.00 -4.30 1.61 2.88 -1.26 -4.80 113.62 106.66 3hij n SER 267 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 3hij n SER 267 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 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 3.02 1.07 0.04 2.46 -7.23 -1.26 -4.55 120.40 113.95 3hij s VAL 268 Ca 0.00 -2.04 -0.07 0.00 -1.81 0.00 0.00 61.98 58.05 3hij s VAL 268 Cb 0.00 -2.18 -0.05 0.00 0.56 0.00 0.00 36.38 34.71 3hij s VAL 268 CO 0.00 -0.46 0.31 -0.13 -0.31 0.00 0.00 175.10 174.51 3hij s ARG 269 N -3.83 3.63 0.23 4.82 0.52 -1.26 -4.84 118.95 118.22 3hij s ARG 269 Ca 0.25 -0.01 -0.32 0.00 -0.52 0.00 0.00 55.73 55.13 3hij s ARG 269 Cb 0.05 -3.04 -0.13 0.00 0.52 0.00 0.00 34.95 32.34 3hij s ARG 269 CO 0.06 0.61 1.44 1.28 0.02 0.00 0.00 175.30 178.71 3hij n LEU 270 N 0.99 3.11 -0.68 2.53 4.77 -1.26 -1.26 117.00 125.20 3hij n LEU 270 Ca -0.10 1.13 0.08 0.00 -0.03 0.00 0.00 56.01 57.10 3hij n LEU 270 Cb 0.53 -1.43 0.26 0.00 -2.33 0.00 0.00 43.42 40.45 3hij n LEU 270 CO 0.42 -0.45 0.70 -0.81 -1.33 0.00 0.00 177.39 175.92 3hij n PRO 271 N 2.24 1.87 -2.59 3.23 -0.04 -1.26 -4.95 135.00 133.49 3hij n PRO 271 Ca 0.12 -1.33 -0.32 0.00 -0.04 0.00 0.00 63.50 61.93 3hij n PRO 271 Cb 0.31 -1.35 -0.04 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.26 3.75 0.14 1.53 1.43 -0.39 -5.09 118.68 118.78 3hij s LEU 272 Ca 0.29 1.52 0.06 0.00 -1.03 0.00 0.00 54.13 54.98 3hij s LEU 272 Cb 0.16 -4.43 -0.04 0.00 0.03 0.00 0.00 46.19 41.91 3hij s LEU 272 CO 0.22 -0.49 -0.13 -0.76 0.23 0.00 0.00 176.35 175.42 3hij s LEU 273 N -3.78 2.46 0.67 1.79 1.43 -1.26 -4.46 118.68 115.53 3hij s LEU 273 Ca 0.58 -0.89 -0.17 0.00 -1.03 0.00 0.00 54.13 52.63 3hij s LEU 273 Cb -0.10 -0.51 0.00 0.00 0.03 0.00 0.00 46.19 45.62 3hij s LEU 273 CO 0.26 -0.20 1.25 -2.84 0.23 0.00 0.00 176.35 175.06 3hij s PRO 274 N -3.07 2.45 0.39 1.29 0.02 -1.26 -4.88 135.00 129.94 3hij s PRO 274 Ca 0.12 1.93 -0.26 0.00 0.02 0.00 0.00 61.00 62.82 3hij s PRO 274 Cb -0.02 -1.85 -0.11 0.00 0.02 0.00 0.00 34.50 32.53 3hij s PRO 274 CO 0.03 -1.64 1.14 1.28 -0.33 0.00 0.00 177.00 177.47 3hij n LEU 275 N -2.16 3.10 -4.75 -5.54 4.32 -1.26 -5.00 117.00 105.71 3hij n LEU 275 Ca 0.15 1.11 -0.30 0.00 -0.02 0.00 0.00 56.01 56.94 3hij n LEU 275 Cb 0.49 -1.41 0.12 0.00 -1.62 0.00 0.00 43.42 40.99 3hij n LEU 275 CO 0.47 -1.05 0.68 0.42 -1.22 0.00 0.00 177.39 176.69 3hij s THR 276 N -1.19 2.94 0.26 -5.08 -4.23 -1.26 -4.80 115.64 102.27 3hij s THR 276 Ca 0.61 0.30 -0.02 0.00 -1.18 0.00 0.00 61.69 61.40 3hij s THR 276 Cb -0.56 -2.84 0.24 0.00 1.34 0.00 0.00 72.50 70.68 3hij s THR 276 CO 0.58 -0.40 1.72 -0.08 -0.54 0.00 0.00 174.62 175.91 3hij h GLU 277 N -1.34 0.42 -0.57 3.99 4.57 -1.99 0.60 114.58 120.25 3hij h GLU 277 Ca -0.47 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 57.62 3hij h GLU 277 Cb 1.27 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.74 3hij h GLU 277 CO 0.55 0.28 0.13 0.93 -1.18 0.00 0.00 179.01 179.71 3hij h GLU 278 N 0.43 0.93 -0.74 1.92 3.07 -1.99 -0.80 114.58 117.40 3hij h GLU 278 Ca 0.46 -0.23 -0.05 0.00 -0.50 0.00 0.00 59.36 59.04 3hij h GLU 278 Cb 0.74 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.50 3hij h GLU 278 CO -0.44 0.87 0.27 0.93 -1.40 0.00 0.00 179.01 179.23 3hij h GLU 279 N 0.83 1.12 -0.54 2.33 5.08 -1.61 -1.81 114.58 119.98 3hij h GLU 279 Ca 0.18 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3hij h GLU 279 Cb 0.37 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3hij h GLU 279 CO 0.00 0.92 0.17 -0.09 -1.00 0.00 0.00 179.01 179.02 3hij h ARG 280 N 1.08 0.83 -0.49 2.33 2.43 -0.11 -0.05 114.38 120.41 3hij h ARG 280 Ca 0.24 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 3hij h ARG 280 Cb 0.24 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 3hij h ARG 280 CO -0.02 0.76 0.19 0.28 -1.51 0.00 0.00 179.97 179.67 3hij h VAL 281 N 0.74 1.21 -0.37 0.20 2.07 -0.99 0.22 116.25 119.34 3hij h VAL 281 Ca 0.17 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 3hij h VAL 281 Cb 0.27 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3hij h VAL 281 CO -0.01 0.25 0.07 0.74 0.02 0.00 0.00 177.57 178.64 3hij h THR 282 N 0.65 1.23 -0.52 2.57 2.02 -1.02 -2.04 112.91 115.80 3hij h THR 282 Ca 0.16 -0.82 -0.05 0.00 0.77 0.00 0.00 66.41 66.48 3hij h THR 282 Cb 0.20 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 3hij h THR 282 CO -0.01 0.28 0.14 0.25 0.37 0.00 0.00 175.52 176.54 3hij h LEU 283 N 0.46 0.77 -1.05 2.58 5.85 -0.65 -2.94 115.31 120.33 3hij h LEU 283 Ca 0.11 -0.22 0.12 0.00 0.84 0.00 0.00 57.88 58.73 3hij h LEU 283 Cb 0.34 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.09 3hij h LEU 283 CO 0.00 0.79 0.62 -0.61 -0.34 0.00 0.00 178.44 178.91 3hij h GLN 284 N 0.71 0.94 -0.52 1.25 5.75 -0.41 -0.73 115.11 122.11 3hij h GLN 284 Ca 0.16 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.55 3hij h GLN 284 Cb 0.31 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 3hij h GLN 284 CO -0.00 0.62 0.11 0.77 -2.65 0.00 0.00 178.83 177.68 3hij h SER 285 N 0.97 0.80 -0.73 -0.69 0.02 -1.20 -0.33 113.55 112.39 3hij h SER 285 Ca 0.48 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 3hij h SER 285 Cb 0.49 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 3hij h SER 285 CO -0.25 0.84 0.40 0.58 -1.14 0.00 0.00 176.83 177.26 3hij h VAL 286 N 0.73 1.22 -0.88 2.27 2.07 -1.22 -2.46 116.25 117.98 3hij h VAL 286 Ca 0.16 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 3hij h VAL 286 Cb 0.37 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 3hij h VAL 286 CO 0.01 0.25 0.46 0.24 0.02 0.00 0.00 177.57 178.54 3hij h MET 287 N 1.01 1.25 0.00 1.57 2.07 -0.77 -1.62 114.93 118.45 3hij h MET 287 Ca 0.26 -0.17 0.00 0.00 -2.07 0.00 0.00 59.70 57.72 3hij h MET 287 Cb 0.04 -0.24 0.00 0.00 -1.87 0.00 0.00 31.60 29.53 3hij h MET 287 CO -0.04 0.94 0.00 1.96 1.07 0.00 0.00 176.91 180.83 3hij h GLN 288 N 1.25 0.00 -0.00 1.72 4.20 -0.87 -2.54 115.11 118.87 3hij h GLN 288 Ca 0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.02 3hij h GLN 288 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3hij h GLN 288 CO -0.04 0.00 -0.04 -1.13 -0.67 0.00 0.00 178.83 176.94 3hij n SER 289 N -3.07 0.15 -4.67 1.46 3.41 -0.61 -4.80 113.62 105.48 3hij n SER 289 Ca -0.00 -0.29 -0.43 0.00 -0.26 0.00 0.00 58.87 57.89 3hij n SER 289 Cb 0.25 -0.21 -0.02 0.00 -0.26 0.00 0.00 64.21 63.97 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 -2.54 4.12 0.17 -1.33 1.01 -0.96 -4.97 121.20 116.71 3hij s ILE 290 Ca 0.29 1.40 -0.33 0.00 0.00 0.00 0.00 60.65 62.00 3hij s ILE 290 Cb 0.20 -3.90 -0.14 0.00 0.01 0.00 0.00 42.46 38.63 3hij s ILE 290 CO 0.47 -0.07 1.57 -2.65 0.00 0.00 0.00 174.94 174.25 3hij n PRO 291 N 6.10 2.18 0.00 2.79 -0.02 -1.26 -5.09 135.00 139.69 3hij n PRO 291 Ca 0.13 0.78 0.10 0.00 -2.02 0.00 0.00 63.50 62.50 3hij n PRO 291 Cb 0.45 -2.55 0.08 0.00 -0.02 0.00 0.00 33.50 31.47 3hij n PRO 291 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02