#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 2.29 -3.90 1.12 3.06 -1.26 -5.02 119.36 115.65 3hij n ILE 2 Ca 0.00 -0.50 -0.30 0.00 -2.50 0.00 0.00 62.75 59.45 3hij n ILE 2 Cb 0.00 -1.86 -0.16 0.00 0.54 0.00 0.00 39.64 38.17 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 -0.28 3.68 0.00 9.51 2.15 -1.26 -4.97 116.67 125.49 3hij s ASP 3 Ca 0.56 -1.12 0.29 0.00 0.43 0.00 0.00 52.55 52.72 3hij s ASP 3 Cb -0.48 -1.07 1.36 0.00 -0.30 0.00 0.00 42.92 42.43 3hij s ASP 3 CO 0.61 -0.25 1.92 0.49 -0.17 0.00 0.00 175.17 177.78 3hij n PHE 4 N 4.74 0.00 -4.44 -5.34 3.72 -1.26 -4.79 117.46 110.09 3hij n PHE 4 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 3hij n PHE 4 Cb 0.45 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 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 1.15 -1.02 0.09 1.37 0.00 -1.26 -3.64 105.19 101.87 3hij n GLY 5 Ca 0.19 -1.17 0.08 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.46 0.65 -3.74 2.61 -2.24 -1.26 -4.69 114.28 105.15 3hij n THR 6 Ca 0.00 -0.58 -0.30 0.00 -2.27 0.00 0.00 64.05 60.90 3hij n THR 6 Cb 0.00 -0.36 -0.14 0.00 -2.10 0.00 0.00 70.33 67.72 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 -3.27 1.08 0.03 2.28 1.01 -1.26 -0.81 121.20 120.26 3hij s ILE 7 Ca -0.03 -1.74 -0.20 0.00 0.00 0.00 0.00 60.65 58.68 3hij s ILE 7 Cb 0.10 -1.80 -0.06 0.00 0.01 0.00 0.00 42.46 40.71 3hij s ILE 7 CO 0.82 -0.73 0.59 0.00 0.00 0.00 0.00 174.94 175.62 3hij s ALA 8 N 1.26 3.53 -0.16 9.38 0.00 -0.28 0.70 121.76 136.19 3hij s ALA 8 Ca 0.12 0.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.10 3hij s ALA 8 Cb -0.19 -2.70 -0.01 0.00 0.00 0.00 0.00 23.12 20.21 3hij s ALA 8 CO -0.17 0.27 -0.09 0.99 0.00 0.00 0.00 175.76 176.75 3hij s THR 9 N -0.59 3.25 -0.92 0.00 2.01 0.64 -0.23 115.64 119.80 3hij s THR 9 Ca 0.30 -0.57 -0.22 0.00 0.31 0.00 0.00 61.69 61.51 3hij s THR 9 Cb -0.19 -2.41 0.07 0.00 0.01 0.00 0.00 72.50 69.98 3hij s THR 9 CO 0.18 0.49 1.28 0.00 -0.69 0.00 0.00 174.62 175.88 3hij s ALA 10 N 0.70 2.95 0.30 7.40 0.00 -0.32 -0.46 121.76 132.33 3hij s ALA 10 Ca -0.05 -2.24 -0.29 0.00 0.00 0.00 0.00 51.96 49.38 3hij s ALA 10 Cb -0.15 -4.28 -0.10 0.00 0.00 0.00 0.00 23.12 18.58 3hij s ALA 10 CO 0.02 -3.30 1.42 0.00 0.00 0.00 0.00 175.76 173.90 3hij s MET 11 N 4.32 4.25 0.82 0.00 0.23 -0.35 -4.63 119.30 123.94 3hij s MET 11 Ca 0.38 2.35 -0.12 0.00 -1.03 0.00 0.00 55.69 57.27 3hij s MET 11 Cb -0.04 -3.07 0.09 0.00 -1.53 0.00 0.00 34.83 30.28 3hij s MET 11 CO -0.04 -0.39 1.16 0.14 -2.03 0.00 0.00 175.02 173.85 3hij s VAL 12 N -0.50 2.42 -0.40 5.16 -7.23 -1.26 -3.32 120.40 115.27 3hij s VAL 12 Ca 0.56 0.16 -0.15 0.00 -1.81 0.00 0.00 61.98 60.74 3hij s VAL 12 Cb -0.43 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 34.06 3hij s VAL 12 CO 0.50 -0.16 0.30 -0.89 -0.31 0.00 0.00 175.10 174.54 3hij s THR 13 N -2.46 5.25 0.26 5.32 2.01 -1.26 -4.88 115.64 119.87 3hij s THR 13 Ca 0.68 -0.53 -0.30 0.00 0.31 0.00 0.00 61.69 61.85 3hij s THR 13 Cb -0.24 -3.89 -0.10 0.00 0.01 0.00 0.00 72.50 68.28 3hij s THR 13 CO 0.53 -0.25 1.46 -2.84 -0.69 0.00 0.00 174.62 172.83 3hij s PRO 14 N 1.73 4.24 0.15 4.92 0.02 -1.26 -4.94 135.00 139.85 3hij s PRO 14 Ca 0.06 2.35 0.09 0.00 0.02 0.00 0.00 61.00 63.52 3hij s PRO 14 Cb -0.18 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.20 3hij s PRO 14 CO 0.10 -0.45 -0.17 -0.06 -0.33 0.00 0.00 177.00 176.09 3hij s PHE 15 N -0.02 2.52 0.00 6.54 2.99 -0.22 -0.97 117.98 128.82 3hij s PHE 15 Ca 0.60 -0.27 0.00 0.00 0.00 0.00 0.00 56.93 57.26 3hij s PHE 15 Cb -0.43 -1.29 0.00 0.00 0.00 0.00 0.00 43.02 41.30 3hij s PHE 15 CO 0.44 0.44 0.00 -0.40 -0.00 0.00 0.00 175.22 175.70 3hij n ASP 16 N 0.51 0.00 0.26 1.36 5.68 0.21 -3.72 116.55 120.85 3hij n ASP 16 Ca -0.14 -0.83 0.15 0.00 -0.50 0.00 0.00 54.79 53.48 3hij n ASP 16 Cb 0.54 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 41.13 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 -0.52 0.12 -0.01 2.12 2.10 -2.00 -1.59 117.51 117.72 3hij h ILE 17 Ca 0.00 -0.67 0.00 0.00 1.08 0.00 0.00 64.86 65.27 3hij h ILE 17 Cb 0.00 1.59 0.00 0.00 -1.09 0.00 0.00 36.82 37.32 3hij h ILE 17 CO 0.00 0.05 -0.02 0.59 -1.08 0.00 0.00 178.15 177.69 3hij n ASN 18 N -3.16 1.45 0.00 2.19 5.03 -1.26 -4.93 115.26 114.58 3hij n ASN 18 Ca 0.01 -1.45 0.00 0.00 0.87 0.00 0.00 54.58 54.01 3hij n ASN 18 Cb 0.34 0.01 0.00 0.00 -1.02 0.00 0.00 39.78 39.11 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 1.19 0.86 3.87 7.41 0.00 -0.60 -5.05 105.19 112.87 3hij n GLY 19 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.97 6.37 0.17 1.61 0.02 -1.26 -4.65 114.94 114.22 3hij s ASN 20 Ca 0.00 1.30 -0.32 0.00 -1.02 0.00 0.00 52.86 52.82 3hij s ASN 20 Cb 0.00 -2.41 -0.11 0.00 0.02 0.00 0.00 41.25 38.76 3hij s ASN 20 CO 0.00 -0.67 1.71 -0.63 0.02 0.00 0.00 177.10 177.52 3hij s ILE 21 N -2.84 2.36 -0.55 0.60 1.01 -1.26 0.66 121.20 121.18 3hij s ILE 21 Ca 0.54 0.16 -0.17 0.00 0.00 0.00 0.00 60.65 61.18 3hij s ILE 21 Cb -0.10 -3.10 0.11 0.00 0.01 0.00 0.00 42.46 39.37 3hij s ILE 21 CO 0.44 0.01 0.57 -0.62 0.00 0.00 0.00 174.94 175.33 3hij s ASP 22 N 1.61 6.19 0.27 3.58 -1.08 -0.14 -4.68 116.67 122.42 3hij s ASP 22 Ca 0.75 -1.59 0.06 0.00 -0.52 0.00 0.00 52.55 51.25 3hij s ASP 22 Cb -0.47 -2.24 0.37 0.00 -1.46 0.00 0.00 42.92 39.12 3hij s ASP 22 CO 0.33 -0.93 1.64 -0.26 0.52 0.00 0.00 175.17 176.47 3hij h PHE 23 N 8.98 0.27 -0.27 -5.34 -1.00 -1.91 -0.73 116.94 116.94 3hij h PHE 23 Ca -0.30 -0.09 -0.07 0.00 2.81 0.00 0.00 57.97 60.33 3hij h PHE 23 Cb 1.10 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 40.59 3hij h PHE 23 CO 0.76 0.68 -0.09 0.00 -1.61 0.00 0.00 178.31 178.05 3hij h ALA 24 N 1.30 0.37 -0.19 2.45 0.00 -1.99 -1.46 119.26 119.75 3hij h ALA 24 Ca 0.01 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 3hij h ALA 24 Cb 0.95 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3hij h ALA 24 CO 0.08 0.21 -0.18 0.87 0.00 0.00 0.00 179.25 180.22 3hij h LYS 25 N 0.28 0.32 -0.03 0.00 1.79 -1.93 -2.35 116.57 114.66 3hij h LYS 25 Ca 0.07 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3hij h LYS 25 Cb 0.57 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.19 3hij h LYS 25 CO 0.03 0.50 0.02 1.15 -1.08 0.00 0.00 179.45 180.07 3hij h THR 26 N 0.30 1.01 -0.48 -0.16 2.02 -0.88 0.10 112.91 114.83 3hij h THR 26 Ca 0.05 -0.03 0.09 0.00 0.77 0.00 0.00 66.41 67.30 3hij h THR 26 Cb 0.49 0.98 -0.10 0.00 -1.74 0.00 0.00 68.15 67.78 3hij h THR 26 CO 0.03 0.01 -0.28 0.74 0.37 0.00 0.00 175.52 176.40 3hij h THR 27 N 0.03 0.27 -0.52 3.16 2.02 -1.16 0.19 112.91 116.91 3hij h THR 27 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.19 3hij h THR 27 Cb 0.00 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.66 3hij h THR 27 CO -0.00 0.00 0.34 0.50 0.37 0.00 0.00 175.52 176.73 3hij h LYS 28 N -0.17 0.69 -0.65 6.66 3.64 -1.22 -1.77 116.57 123.74 3hij h LYS 28 Ca 0.21 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 3hij h LYS 28 Cb 0.51 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 3hij h LYS 28 CO -0.58 0.46 0.37 1.25 -2.27 0.00 0.00 179.45 178.68 3hij h LEU 29 N 0.70 0.80 -0.55 5.20 5.85 -0.43 -1.06 115.31 125.83 3hij h LEU 29 Ca 0.19 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 3hij h LEU 29 Cb -0.07 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 3hij h LEU 29 CO -0.04 0.65 0.19 0.58 -0.34 0.00 0.00 178.44 179.49 3hij h VAL 30 N 0.88 1.23 -0.27 1.05 2.07 -0.21 -0.01 116.25 120.98 3hij h VAL 30 Ca 0.23 -0.75 -0.17 0.00 0.82 0.00 0.00 66.70 66.84 3hij h VAL 30 Cb 0.02 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3hij h VAL 30 CO -0.04 0.28 -0.49 0.78 0.02 0.00 0.00 177.57 178.12 3hij h ASN 31 N 0.75 0.83 -0.03 0.57 2.35 -1.19 -2.02 115.58 116.84 3hij h ASN 31 Ca 0.18 -0.42 0.01 0.00 -0.55 0.00 0.00 56.30 55.52 3hij h ASN 31 Cb 0.24 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 3hij h ASN 31 CO -0.01 1.17 -0.02 0.22 -1.65 0.00 0.00 177.43 177.14 3hij h TYR 32 N 0.59 -0.05 -0.34 1.19 3.20 -0.96 -2.25 116.97 118.35 3hij h TYR 32 Ca 0.03 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.95 3hij h TYR 32 Cb 1.06 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 39.32 3hij h TYR 32 CO 0.06 -0.04 0.08 -0.07 -1.64 0.00 0.00 178.16 176.55 3hij h LEU 33 N -0.03 0.05 -1.41 2.82 3.38 -0.88 -1.81 115.31 117.43 3hij h LEU 33 Ca 0.02 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hij h LEU 33 Cb 0.06 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3hij h LEU 33 CO -0.05 0.06 0.35 0.40 0.09 0.00 0.00 178.44 179.29 3hij h ILE 34 N 0.21 1.15 -0.00 1.22 2.04 -1.31 -1.50 117.51 119.32 3hij h ILE 34 Ca 0.16 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3hij h ILE 34 Cb 0.17 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3hij h ILE 34 CO -0.20 0.16 -0.02 0.47 0.00 0.00 0.00 178.15 178.56 3hij n ASP 35 N -4.43 0.52 -2.28 1.72 8.00 -0.85 -3.98 116.55 115.25 3hij n ASP 35 Ca 0.05 -1.02 -0.18 0.00 0.71 0.00 0.00 54.79 54.35 3hij n ASP 35 Cb 0.06 -0.03 0.03 0.00 -0.02 0.00 0.00 41.12 41.16 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 -0.67 4.00 0.00 -2.24 3.02 -0.61 -4.99 115.26 113.77 3hij n ASN 36 Ca 0.20 -3.30 0.00 0.00 -0.03 0.00 0.00 54.58 51.45 3hij n ASN 36 Cb 0.22 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 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 -0.64 0.79 3.69 7.41 0.00 -1.20 -3.15 105.19 112.08 3hij n GLY 37 Ca 0.34 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.23 3.72 -1.26 2.61 2.01 -0.93 -4.60 115.64 114.96 3hij s THR 38 Ca 0.00 1.12 0.16 0.00 0.31 0.00 0.00 61.69 63.29 3hij s THR 38 Cb 0.00 -3.72 -0.06 0.00 0.01 0.00 0.00 72.50 68.73 3hij s THR 38 CO 0.00 0.01 0.80 0.35 -0.69 0.00 0.00 174.62 175.09 3hij n THR 39 N 4.57 0.00 -3.55 -0.82 -2.24 0.22 -4.59 114.28 107.87 3hij n THR 39 Ca 0.13 -0.27 -0.16 0.00 -2.27 0.00 0.00 64.05 61.48 3hij n THR 39 Cb 0.44 1.13 -0.06 0.00 -2.10 0.00 0.00 70.33 69.74 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 -2.11 -1.80 -0.16 6.98 0.00 -1.19 -4.11 121.76 119.36 3hij s ALA 40 Ca 0.11 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.59 3hij s ALA 40 Cb 0.13 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.88 3hij s ALA 40 CO 0.49 -0.35 -0.16 0.42 0.00 0.00 0.00 175.76 176.16 3hij s ILE 41 N -0.82 2.57 -0.26 0.00 1.01 -0.13 -0.26 121.20 123.31 3hij s ILE 41 Ca -0.07 -0.79 -0.18 0.00 0.00 0.00 0.00 60.65 59.60 3hij s ILE 41 Cb -0.01 -2.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 3hij s ILE 41 CO 0.07 0.51 0.54 -0.69 0.00 0.00 0.00 174.94 175.37 3hij s VAL 42 N 0.97 5.05 -0.13 2.92 1.01 0.40 -0.62 120.40 130.01 3hij s VAL 42 Ca -0.02 0.94 -0.02 0.00 0.00 0.00 0.00 61.98 62.88 3hij s VAL 42 Cb -0.15 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 3hij s VAL 42 CO -0.03 0.08 -0.07 -0.69 0.00 0.00 0.00 175.10 174.39 3hij s VAL 43 N 2.32 3.65 -1.29 2.92 1.01 0.14 -1.21 120.40 127.94 3hij s VAL 43 Ca 0.22 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 3hij s VAL 43 Cb -0.16 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.67 3hij s VAL 43 CO 0.09 0.53 0.15 0.61 0.00 0.00 0.00 175.10 176.48 3hij n GLY 44 N 3.18 -0.26 0.00 4.51 0.00 -1.26 -0.78 105.19 110.58 3hij n GLY 44 Ca -0.18 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.12 -0.89 0.23 -0.02 0.00 -1.26 -4.24 105.19 97.89 3hij n GLY 45 Ca -0.15 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.42 0.47 0.00 2.61 2.02 -1.96 -0.01 112.91 115.62 3hij h THR 46 Ca 0.00 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 3hij h THR 46 Cb 0.00 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 3hij h THR 46 CO 0.00 0.01 -0.13 0.74 0.37 0.00 0.00 175.52 176.52 3hij h THR 47 N 0.08 0.39 -0.18 3.16 2.02 -1.87 -0.97 112.91 115.54 3hij h THR 47 Ca 0.31 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.76 3hij h THR 47 Cb 0.49 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 3hij h THR 47 CO -0.54 0.12 0.00 0.61 0.37 0.00 0.00 175.52 176.08 3hij n GLY 48 N -0.21 0.14 3.82 2.16 0.00 -0.05 -4.24 105.19 106.80 3hij n GLY 48 Ca -0.01 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 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 0.06 -5.15 -0.27 1.61 1.02 -0.37 -4.17 120.64 113.37 3hij n GLU 49 Ca 0.06 0.60 0.21 0.00 -0.02 0.00 0.00 57.16 58.01 3hij n GLU 49 Cb 0.20 -5.30 0.52 0.00 -0.02 0.00 0.00 31.44 26.84 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 -1.98 0.40 0.06 1.62 4.64 -1.63 -2.17 113.55 114.50 3hij h SER 50 Ca -0.60 0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 60.74 3hij h SER 50 Cb 1.37 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 3hij h SER 50 CO 0.62 0.14 -0.10 -0.65 -0.87 0.00 0.00 176.83 175.96 3hij h PRO 51 N 0.39 0.10 -0.25 4.77 0.11 -1.89 -2.88 132.00 132.35 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 1.31 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3hij h PRO 51 CO -0.20 0.21 0.00 0.25 -0.21 0.00 0.00 178.00 178.05 3hij n THR 52 N -4.36 0.31 -3.55 -1.15 -2.24 -0.82 -4.92 114.28 97.54 3hij n THR 52 Ca -0.02 -0.60 -0.37 0.00 -2.27 0.00 0.00 64.05 60.79 3hij n THR 52 Cb 0.21 0.98 -0.06 0.00 -2.10 0.00 0.00 70.33 69.36 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 -1.65 4.45 0.84 3.22 1.43 -1.09 -5.08 118.68 120.81 3hij s LEU 53 Ca 0.35 0.88 -0.12 0.00 -1.03 0.00 0.00 54.13 54.22 3hij s LEU 53 Cb 0.21 -2.59 0.10 0.00 0.03 0.00 0.00 46.19 43.94 3hij s LEU 53 CO 0.31 0.31 1.12 0.42 0.23 0.00 0.00 176.35 178.73 3hij s THR 54 N -1.12 2.61 0.24 5.49 -4.23 -1.26 -4.85 115.64 112.51 3hij s THR 54 Ca 0.24 0.20 -0.06 0.00 -1.18 0.00 0.00 61.69 60.88 3hij s THR 54 Cb -0.16 -2.96 0.24 0.00 1.34 0.00 0.00 72.50 70.96 3hij s THR 54 CO 0.13 -0.26 1.92 -1.28 -0.54 0.00 0.00 174.62 174.59 3hij h SER 55 N -1.24 1.10 -0.41 3.99 0.87 -1.97 -0.80 113.55 115.08 3hij h SER 55 Ca -0.48 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.02 3hij h SER 55 Cb 1.30 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.97 3hij h SER 55 CO 0.61 0.79 0.14 -0.33 -0.53 0.00 0.00 176.83 177.51 3hij h GLU 56 N 1.29 0.63 -0.49 2.24 3.07 -2.00 -1.85 114.58 117.47 3hij h GLU 56 Ca 0.36 -0.13 0.03 0.00 -0.50 0.00 0.00 59.36 59.12 3hij h GLU 56 Cb -0.12 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 27.65 3hij h GLU 56 CO -0.09 0.61 0.27 0.93 -1.40 0.00 0.00 179.01 179.34 3hij h GLU 57 N 0.52 0.52 -0.38 2.33 5.08 -1.83 -1.38 114.58 119.44 3hij h GLU 57 Ca 0.14 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3hij h GLU 57 Cb 0.23 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3hij h GLU 57 CO -0.01 0.34 0.25 0.87 -1.00 0.00 0.00 179.01 179.46 3hij h LYS 58 N 0.53 0.49 -0.50 2.33 1.57 -0.75 0.41 116.57 120.65 3hij h LYS 58 Ca 0.21 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 3hij h LYS 58 Cb 0.07 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3hij h LYS 58 CO -0.12 0.32 0.08 0.28 -0.57 0.00 0.00 179.45 179.44 3hij h VAL 59 N 0.51 1.25 -0.58 0.50 2.07 -1.21 0.34 116.25 119.12 3hij h VAL 59 Ca 0.14 -0.93 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 3hij h VAL 59 Cb -0.04 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3hij h VAL 59 CO -0.04 0.33 0.20 0.00 0.02 0.00 0.00 177.57 178.08 3hij h ALA 60 N 0.97 0.76 0.00 1.67 0.00 -0.98 0.12 119.26 121.80 3hij h ALA 60 Ca 0.15 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hij h ALA 60 Cb 0.40 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hij h ALA 60 CO 0.01 0.41 -0.00 1.25 0.00 0.00 0.00 179.25 180.91 3hij h LEU 61 N 0.81 -0.00 -0.38 0.00 5.85 0.19 -0.42 115.31 121.36 3hij h LEU 61 Ca 0.19 -0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.93 3hij h LEU 61 Cb 0.26 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.22 3hij h LEU 61 CO -0.01 0.06 -0.10 1.88 -0.34 0.00 0.00 178.44 179.93 3hij h TYR 62 N -0.07 -0.21 -0.77 1.25 0.05 0.06 -1.65 116.97 115.64 3hij h TYR 62 Ca -0.00 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.78 3hij h TYR 62 Cb 0.06 0.15 -0.04 0.00 1.01 0.00 0.00 36.73 37.92 3hij h TYR 62 CO -0.06 -0.17 0.36 -0.09 -1.05 0.00 0.00 178.16 177.16 3hij h ARG 63 N -0.00 1.12 -0.30 4.88 2.43 -0.61 -0.93 114.38 120.96 3hij h ARG 63 Ca 0.18 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 3hij h ARG 63 Cb 0.28 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3hij h ARG 63 CO -0.39 0.87 -0.06 1.25 -1.51 0.00 0.00 179.97 180.13 3hij h HIS 64 N 1.09 0.64 -0.47 2.20 2.76 -0.62 -1.96 115.15 118.80 3hij h HIS 64 Ca 0.26 -0.14 -0.04 0.00 -2.20 0.00 0.00 60.37 58.26 3hij h HIS 64 Cb 0.13 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 3hij h HIS 64 CO 0.01 0.76 0.12 0.28 -1.30 0.00 0.00 177.93 177.80 3hij h VAL 65 N 0.35 1.23 -0.55 5.26 2.07 -1.14 -0.16 116.25 123.30 3hij h VAL 65 Ca 0.08 -0.81 0.11 0.00 0.82 0.00 0.00 66.70 66.90 3hij h VAL 65 Cb 0.54 0.87 -0.11 0.00 -1.52 0.00 0.00 31.29 31.08 3hij h VAL 65 CO 0.03 0.29 -0.17 0.58 0.02 0.00 0.00 177.57 178.31 3hij h VAL 66 N 0.62 0.39 0.24 2.57 2.07 -1.09 0.15 116.25 121.20 3hij h VAL 66 Ca 0.15 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 3hij h VAL 66 Cb 0.31 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3hij h VAL 66 CO 0.00 0.00 -0.11 0.28 0.02 0.00 0.00 177.57 177.76 3hij h SER 67 N -0.04 -0.27 -0.25 0.57 0.02 -0.57 -2.12 113.55 110.89 3hij h SER 67 Ca 0.26 -0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 3hij h SER 67 Cb 0.44 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 3hij h SER 67 CO -0.59 -0.10 0.11 0.58 -1.14 0.00 0.00 176.83 175.69 3hij h VAL 68 N -0.42 0.97 -0.85 2.27 2.07 -0.91 -2.99 116.25 116.38 3hij h VAL 68 Ca -0.03 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.41 3hij h VAL 68 Cb 0.32 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 3hij h VAL 68 CO 0.05 0.04 0.57 0.58 0.02 0.00 0.00 177.57 178.83 3hij h VAL 69 N 0.24 1.22 -6.02 2.57 2.07 -0.68 -3.46 116.25 112.18 3hij h VAL 69 Ca 0.11 -0.40 -0.42 0.00 0.82 0.00 0.00 66.70 66.81 3hij h VAL 69 Cb 0.05 -0.04 0.07 0.00 -1.52 0.00 0.00 31.29 29.85 3hij h VAL 69 CO -0.09 0.21 -0.76 -0.67 0.02 0.00 0.00 177.57 176.29 3hij n ASP 70 N -4.41 -3.87 0.00 0.57 4.64 -0.80 -1.59 116.55 111.09 3hij n ASP 70 Ca 0.10 -0.70 0.00 0.00 -1.38 0.00 0.00 54.79 52.81 3hij n ASP 70 Cb 0.03 -4.45 0.00 0.00 -1.04 0.00 0.00 41.12 35.65 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 -4.58 -1.34 -0.00 -0.67 4.76 -1.26 -4.90 118.16 110.16 3hij n LYS 71 Ca -0.11 0.34 -0.04 0.00 -2.87 0.00 0.00 58.31 55.63 3hij n LYS 71 Cb 0.60 -4.51 0.18 0.00 -1.84 0.00 0.00 35.03 29.46 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 0.27 0.54 -4.01 1.97 3.08 -1.67 -3.45 114.38 111.11 3hij h ARG 72 Ca 0.00 -0.21 -0.11 0.00 0.07 0.00 0.00 59.98 59.73 3hij h ARG 72 Cb 0.67 -0.03 -0.14 0.00 0.08 0.00 0.00 29.97 30.55 3hij h ARG 72 CO 0.00 0.74 -0.45 0.14 -1.07 0.00 0.00 179.97 179.33 3hij s VAL 73 N -4.51 0.12 0.37 2.04 -7.23 -1.26 -5.07 120.40 104.86 3hij s VAL 73 Ca -0.07 -1.48 -0.27 0.00 -1.81 0.00 0.00 61.98 58.35 3hij s VAL 73 Cb 0.14 -1.66 -0.09 0.00 0.56 0.00 0.00 36.38 35.32 3hij s VAL 73 CO 0.80 -0.55 1.27 -2.84 -0.31 0.00 0.00 175.10 173.47 3hij s PRO 74 N -3.94 4.16 -0.24 4.82 0.02 -1.26 -4.85 135.00 133.71 3hij s PRO 74 Ca 0.13 2.11 -0.07 0.00 0.02 0.00 0.00 61.00 63.19 3hij s PRO 74 Cb 0.05 -2.88 -0.03 0.00 0.02 0.00 0.00 34.50 31.66 3hij s PRO 74 CO -0.05 -0.31 0.06 0.08 -0.33 0.00 0.00 177.00 176.44 3hij s VAL 75 N -1.23 4.22 -0.18 3.83 1.01 -1.26 -0.95 120.40 125.83 3hij s VAL 75 Ca 0.53 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 62.29 3hij s VAL 75 Cb -0.37 -2.97 -0.00 0.00 0.00 0.00 0.00 36.38 33.04 3hij s VAL 75 CO 0.48 0.35 -0.11 -0.63 0.00 0.00 0.00 175.10 175.20 3hij s ILE 76 N 1.54 2.98 -0.20 2.22 1.01 0.21 -0.44 121.20 128.52 3hij s ILE 76 Ca 0.06 -0.65 -0.09 0.00 0.00 0.00 0.00 60.65 59.97 3hij s ILE 76 Cb -0.15 -2.30 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 3hij s ILE 76 CO 0.03 0.48 0.12 0.00 0.00 0.00 0.00 174.94 175.57 3hij s ALA 77 N 1.07 3.62 -1.34 9.38 0.00 -0.10 0.28 121.76 134.68 3hij s ALA 77 Ca 0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 51.96 51.10 3hij s ALA 77 Cb -0.15 -2.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 3hij s ALA 77 CO -0.02 0.12 2.36 0.41 0.00 0.00 0.00 175.76 178.63 3hij n GLY 78 N 3.62 3.94 0.07 0.00 0.00 0.04 -0.37 105.19 112.49 3hij n GLY 78 Ca -0.16 -1.44 0.13 0.00 0.00 0.00 0.00 46.02 44.55 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 4.76 0.41 -2.69 2.61 -2.24 -1.13 -4.75 114.28 111.25 3hij n THR 79 Ca 0.58 -0.21 -0.37 0.00 -2.27 0.00 0.00 64.05 61.78 3hij n THR 79 Cb 0.32 -0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 68.02 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 -3.43 2.77 0.00 3.38 0.00 -1.15 -4.59 107.32 104.31 3hij s GLY 80 Ca 0.11 0.59 0.00 0.00 0.00 0.00 0.00 44.72 45.42 3hij s GLY 80 CO 0.60 1.03 0.00 -1.14 0.00 0.00 0.00 173.10 173.59 3hij n SER 81 N 0.33 0.76 -0.99 1.64 3.41 -1.26 -4.44 113.62 113.06 3hij n SER 81 Ca 0.03 -0.09 0.06 0.00 -0.26 0.00 0.00 58.87 58.61 3hij n SER 81 Cb 0.50 0.00 0.21 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 -0.20 2.86 -3.97 4.04 2.04 -1.26 -4.47 115.26 114.31 3hij n ASN 82 Ca 0.00 -2.21 -0.31 0.00 -0.44 0.00 0.00 54.58 51.62 3hij n ASN 82 Cb 0.00 -0.41 -0.16 0.00 -2.53 0.00 0.00 39.78 36.68 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 -0.79 3.82 0.10 0.53 3.84 -1.26 -4.92 114.94 116.27 3hij s ASN 83 Ca 0.30 -1.14 -0.22 0.00 0.21 0.00 0.00 52.86 52.01 3hij s ASN 83 Cb 0.19 -1.24 -0.12 0.00 -0.55 0.00 0.00 41.25 39.52 3hij s ASN 83 CO 0.16 -0.21 1.73 0.74 -2.79 0.00 0.00 177.10 176.73 3hij h THR 84 N 6.62 0.96 -0.45 -5.21 2.02 -1.96 -0.74 112.91 114.16 3hij h THR 84 Ca -0.20 -0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.05 3hij h THR 84 Cb 1.07 0.95 -0.06 0.00 -1.74 0.00 0.00 68.15 68.37 3hij h THR 84 CO 0.43 0.00 0.09 -0.74 0.37 0.00 0.00 175.52 175.68 3hij h HIS 85 N 0.01 0.15 -0.46 3.16 -0.00 -1.98 0.96 115.15 116.99 3hij h HIS 85 Ca 0.02 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.34 3hij h HIS 85 Cb 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.42 3hij h HIS 85 CO -0.11 0.01 -0.03 0.00 -0.00 0.00 0.00 177.93 177.80 3hij h ALA 86 N 1.34 1.09 -0.37 5.26 0.00 -1.97 -1.88 119.26 122.74 3hij h ALA 86 Ca 0.22 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3hij h ALA 86 Cb 0.28 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3hij h ALA 86 CO -0.29 0.57 -0.13 0.77 0.00 0.00 0.00 179.25 180.18 3hij h SER 87 N 0.72 0.64 -0.48 0.00 0.02 -0.32 -0.81 113.55 113.31 3hij h SER 87 Ca 0.14 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.83 3hij h SER 87 Cb 0.48 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 3hij h SER 87 CO 0.02 0.79 0.02 0.40 -1.14 0.00 0.00 176.83 176.92 3hij h ILE 88 N 0.59 1.26 -0.41 3.27 2.04 -0.44 -0.99 117.51 122.83 3hij h ILE 88 Ca 0.10 -1.03 -0.02 0.00 1.00 0.00 0.00 64.86 64.91 3hij h ILE 88 Cb 0.56 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3hij h ILE 88 CO 0.04 0.36 0.18 -0.78 0.00 0.00 0.00 178.15 177.94 3hij h ASP 89 N 0.70 0.56 0.40 1.72 3.58 -1.02 -0.71 116.42 121.65 3hij h ASP 89 Ca 0.14 -0.15 -0.19 0.00 0.42 0.00 0.00 57.03 57.24 3hij h ASP 89 Cb 0.48 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 3hij h ASP 89 CO 0.02 0.56 -0.82 0.25 -2.88 0.00 0.00 179.24 176.37 3hij h LEU 90 N 0.52 0.39 -0.71 2.28 5.85 -1.08 -2.00 115.31 120.57 3hij h LEU 90 Ca 0.14 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 3hij h LEU 90 Cb 0.17 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3hij h LEU 90 CO -0.01 1.06 0.24 0.74 -0.34 0.00 0.00 178.44 180.12 3hij h THR 91 N 0.20 1.25 -0.55 1.05 2.02 -0.95 0.19 112.91 116.13 3hij h THR 91 Ca -0.04 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.28 3hij h THR 91 Cb 1.42 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.28 3hij h THR 91 CO 0.13 0.33 0.33 0.11 0.37 0.00 0.00 175.52 176.80 3hij h LYS 92 N 1.03 0.74 -0.57 6.66 1.79 -1.02 -0.43 116.57 124.76 3hij h LYS 92 Ca 0.23 -0.07 -0.07 0.00 -2.18 0.00 0.00 60.65 58.57 3hij h LYS 92 Cb 0.27 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 3hij h LYS 92 CO -0.01 0.53 0.10 0.87 -1.08 0.00 0.00 179.45 179.86 3hij h LYS 93 N 0.74 0.95 -0.18 3.15 1.57 -0.71 -2.14 116.57 119.94 3hij h LYS 93 Ca 0.20 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3hij h LYS 93 Cb -0.02 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3hij h LYS 93 CO -0.04 0.90 0.09 0.00 -0.57 0.00 0.00 179.45 179.84 3hij h ALA 94 N 1.01 0.23 -0.75 3.86 0.00 -0.93 -2.64 119.26 120.05 3hij h ALA 94 Ca 0.18 -0.07 0.15 0.00 0.00 0.00 0.00 54.91 55.16 3hij h ALA 94 Cb 0.41 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.03 3hij h ALA 94 CO 0.01 -0.21 0.28 1.15 0.00 0.00 0.00 179.25 180.47 3hij h THR 95 N 0.18 0.63 0.00 0.00 2.02 -0.91 -2.00 112.91 112.83 3hij h THR 95 Ca 0.06 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 3hij h THR 95 Cb 0.10 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 3hij h THR 95 CO -0.01 0.07 -0.23 -0.33 0.37 0.00 0.00 175.52 175.40 3hij h GLU 96 N 0.41 0.00 -0.33 6.66 5.08 -1.18 -2.44 114.58 122.78 3hij h GLU 96 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 3hij h GLU 96 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3hij h GLU 96 CO -0.42 0.23 0.00 1.33 -1.00 0.00 0.00 179.01 179.15 3hij n VAL 97 N -4.03 0.43 -0.55 3.13 0.24 -0.77 -4.95 118.33 111.84 3hij n VAL 97 Ca -0.02 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 3hij n VAL 97 Cb 0.30 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 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 1.17 0.72 3.72 7.63 0.00 -0.92 -4.67 105.19 112.84 3hij n GLY 98 Ca 0.15 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 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 2.62 -0.48 1.61 -7.23 -1.18 -4.96 120.40 108.78 3hij s VAL 99 Ca 0.00 0.21 0.23 0.00 -1.81 0.00 0.00 61.98 60.62 3hij s VAL 99 Cb 0.00 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 3hij s VAL 99 CO 0.00 -0.25 1.11 0.47 -0.31 0.00 0.00 175.10 176.12 3hij n ASP 100 N -3.74 0.69 -3.67 4.85 9.92 0.41 -4.86 116.55 120.14 3hij n ASP 100 Ca 0.11 0.07 -0.06 0.00 -0.53 0.00 0.00 54.79 54.38 3hij n ASP 100 Cb 0.52 0.53 -0.02 0.00 -0.64 0.00 0.00 41.12 41.51 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 -1.62 0.06 2.24 0.00 -0.97 -4.16 121.76 114.06 3hij s ALA 101 Ca 0.03 0.31 0.06 0.00 0.00 0.00 0.00 51.96 52.36 3hij s ALA 101 Cb 0.13 0.65 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 3hij s ALA 101 CO 0.78 -0.92 -0.17 0.14 0.00 0.00 0.00 175.76 175.58 3hij s VAL 102 N -3.40 1.34 -0.15 0.00 -7.23 -0.53 -0.93 120.40 109.51 3hij s VAL 102 Ca 0.09 -1.25 -0.04 0.00 -1.81 0.00 0.00 61.98 58.97 3hij s VAL 102 Cb -0.02 -1.23 -0.03 0.00 0.56 0.00 0.00 36.38 35.66 3hij s VAL 102 CO -0.01 -0.04 -0.03 -0.32 -0.31 0.00 0.00 175.10 174.38 3hij s MET 103 N -1.50 3.67 -0.27 4.82 1.75 0.50 -0.05 119.30 128.22 3hij s MET 103 Ca 0.03 -0.50 0.03 0.00 -1.25 0.00 0.00 55.69 54.00 3hij s MET 103 Cb -0.09 -2.93 0.06 0.00 2.84 0.00 0.00 34.83 34.71 3hij s MET 103 CO 0.02 0.27 -0.10 -0.51 -0.65 0.00 0.00 175.02 174.05 3hij s LEU 104 N 0.30 3.55 0.55 4.11 1.43 -0.09 -2.85 118.68 125.68 3hij s LEU 104 Ca -0.03 -1.46 -0.19 0.00 -1.03 0.00 0.00 54.13 51.42 3hij s LEU 104 Cb -0.14 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.47 3hij s LEU 104 CO 0.03 -0.21 1.11 0.54 0.23 0.00 0.00 176.35 178.06 3hij s VAL 105 N 1.09 3.26 0.20 -1.59 0.11 -1.26 -1.46 120.40 120.75 3hij s VAL 105 Ca -0.07 0.76 -0.32 0.00 -2.93 0.00 0.00 61.98 59.41 3hij s VAL 105 Cb -0.20 -3.29 -0.12 0.00 -1.53 0.00 0.00 36.38 31.24 3hij s VAL 105 CO -0.05 -0.20 1.73 0.00 -3.33 0.00 0.00 175.10 173.25 3hij s ALA 106 N -1.88 3.92 -0.01 1.54 0.00 -0.41 -4.74 121.76 120.19 3hij s ALA 106 Ca 0.71 1.57 -0.36 0.00 0.00 0.00 0.00 51.96 53.89 3hij s ALA 106 Cb -0.22 -3.70 -0.14 0.00 0.00 0.00 0.00 23.12 19.06 3hij s ALA 106 CO 0.28 -0.94 1.66 -2.30 0.00 0.00 0.00 175.76 174.46 3hij n PRO 107 N 4.13 1.80 -2.44 0.00 -0.02 -1.26 -4.83 135.00 132.37 3hij n PRO 107 Ca 0.16 0.65 -0.25 0.00 -2.02 0.00 0.00 63.50 62.05 3hij n PRO 107 Cb 0.35 -2.41 0.04 0.00 -0.02 0.00 0.00 33.50 31.47 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 2.30 3.04 0.00 6.00 1.13 -1.26 -4.47 117.35 124.09 3hij s TYR 108 Ca 0.88 0.38 0.00 0.00 -1.41 0.00 0.00 57.07 56.92 3hij s TYR 108 Cb -0.80 -2.87 0.00 0.00 -1.10 0.00 0.00 41.96 37.19 3hij s TYR 108 CO 0.49 -1.00 0.00 0.98 -2.51 0.00 0.00 175.55 173.51 3hij n TYR 109 N -2.60 0.00 1.30 -3.49 9.36 -1.26 -4.42 117.16 116.05 3hij n TYR 109 Ca 0.06 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.42 3hij n TYR 109 Cb 0.59 0.00 0.48 0.00 -0.63 0.00 0.00 39.34 39.78 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 1.02 0.76 -3.58 2.98 0.23 -1.26 -4.98 115.26 110.43 3hij n ASN 110 Ca 0.00 -0.72 -0.25 0.00 -0.53 0.00 0.00 54.58 53.08 3hij n ASN 110 Cb 0.00 0.04 0.05 0.00 -2.08 0.00 0.00 39.78 37.79 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 -0.81 -2.36 -0.74 -3.83 5.02 -1.26 -4.95 118.16 109.23 3hij n LYS 111 Ca 0.13 0.60 -0.31 0.00 -2.02 0.00 0.00 58.31 56.71 3hij n LYS 111 Cb 0.32 -4.80 0.17 0.00 -0.02 0.00 0.00 35.03 30.70 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 -5.59 0.87 0.88 1.97 0.04 -1.26 -5.04 135.00 126.87 3hij s PRO 112 Ca 0.35 1.40 -0.12 0.00 0.04 0.00 0.00 61.00 62.68 3hij s PRO 112 Cb -0.10 -1.72 0.17 0.00 0.04 0.00 0.00 34.50 32.89 3hij s PRO 112 CO 0.82 -2.69 1.22 -1.54 0.04 0.00 0.00 177.00 174.85 3hij s SER 113 N -2.73 3.57 0.19 6.66 1.04 -1.26 -4.84 113.70 116.32 3hij s SER 113 Ca 0.66 0.15 -0.12 0.00 0.48 0.00 0.00 55.95 57.12 3hij s SER 113 Cb -0.22 -0.33 0.15 0.00 0.10 0.00 0.00 66.02 65.72 3hij s SER 113 CO 0.59 -2.42 1.80 1.56 0.98 0.00 0.00 173.24 175.74 3hij h GLN 114 N -1.29 0.56 -0.33 4.02 1.08 -1.96 -0.33 115.11 116.86 3hij h GLN 114 Ca -0.43 -0.03 -0.13 0.00 -1.45 0.00 0.00 58.65 56.61 3hij h GLN 114 Cb 1.25 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.54 3hij h GLN 114 CO 0.41 0.37 -0.33 1.49 -0.95 0.00 0.00 178.83 179.82 3hij h GLU 115 N 0.57 0.72 -0.42 1.46 4.57 -1.99 0.79 114.58 120.30 3hij h GLU 115 Ca 0.24 -0.34 0.02 0.00 -1.18 0.00 0.00 59.36 58.09 3hij h GLU 115 Cb 0.11 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 3hij h GLU 115 CO -0.15 0.95 0.24 0.78 -1.18 0.00 0.00 179.01 179.66 3hij h GLY 116 N 0.96 0.58 1.02 1.92 0.00 -1.86 -0.24 103.07 105.46 3hij h GLY 116 Ca 0.06 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 3hij h GLY 116 CO 0.07 0.16 0.05 -0.33 0.00 0.00 0.00 176.54 176.49 3hij h MET 117 N 0.49 0.94 -0.20 4.80 2.86 -0.75 -0.27 114.93 122.79 3hij h MET 117 Ca 0.17 -0.27 0.04 0.00 -2.06 0.00 0.00 59.70 57.57 3hij h MET 117 Cb 0.01 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.54 3hij h MET 117 CO -0.08 0.92 -0.05 -0.92 1.06 0.00 0.00 176.91 177.85 3hij h TYR 118 N 0.82 -0.10 -0.49 -0.22 3.20 -0.45 0.33 116.97 120.06 3hij h TYR 118 Ca 0.16 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 3hij h TYR 118 Cb 0.47 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 3hij h TYR 118 CO 0.03 -0.08 0.05 1.96 -1.64 0.00 0.00 178.16 178.48 3hij h GLN 119 N 0.01 0.77 0.65 1.82 1.08 -0.83 -0.55 115.11 118.07 3hij h GLN 119 Ca 0.10 -0.18 -0.03 0.00 -1.45 0.00 0.00 58.65 57.08 3hij h GLN 119 Cb 0.15 -0.10 0.01 0.00 -0.05 0.00 0.00 27.48 27.48 3hij h GLN 119 CO -0.21 0.75 -0.31 1.25 -0.95 0.00 0.00 178.83 179.36 3hij h HIS 120 N 0.73 -0.81 -0.80 2.96 -0.00 -0.21 -0.25 115.15 116.77 3hij h HIS 120 Ca 0.15 -0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.46 3hij h HIS 120 Cb 0.38 0.27 -0.04 0.00 -0.00 0.00 0.00 27.41 28.02 3hij h HIS 120 CO 0.02 -0.47 0.33 0.74 -0.00 0.00 0.00 177.93 178.55 3hij h PHE 121 N -1.08 1.21 -0.30 5.26 0.04 -0.90 -1.32 116.94 119.86 3hij h PHE 121 Ca -0.09 -0.09 0.02 0.00 2.80 0.00 0.00 57.97 60.62 3hij h PHE 121 Cb 0.71 -0.36 -0.03 0.00 2.20 0.00 0.00 35.95 38.47 3hij h PHE 121 CO -0.00 0.91 0.14 -0.22 -0.60 0.00 0.00 178.31 178.53 3hij h LYS 122 N 1.16 0.28 -0.08 1.51 3.64 -1.03 0.20 116.57 122.25 3hij h LYS 122 Ca 0.27 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.50 3hij h LYS 122 Cb 0.21 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3hij h LYS 122 CO -0.02 0.19 -0.54 0.00 -2.27 0.00 0.00 179.45 176.81 3hij h ALA 123 N 1.16 0.95 -0.19 5.00 0.00 -0.66 0.43 119.26 125.95 3hij h ALA 123 Ca 0.13 -0.50 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 3hij h ALA 123 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3hij h ALA 123 CO -0.10 0.68 -0.40 0.82 0.00 0.00 0.00 179.25 180.25 3hij h ILE 124 N 0.18 1.33 -0.87 0.00 2.04 -0.91 -3.12 117.51 116.17 3hij h ILE 124 Ca 0.00 -1.64 -0.02 0.00 1.00 0.00 0.00 64.86 64.20 3hij h ILE 124 Cb 1.00 1.90 -0.04 0.00 -0.74 0.00 0.00 36.82 38.94 3hij h ILE 124 CO 0.08 0.51 0.46 0.00 0.00 0.00 0.00 178.15 179.20 3hij h ALA 125 N 0.59 1.18 0.00 1.87 0.00 -0.24 -1.60 119.26 121.05 3hij h ALA 125 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hij h ALA 125 Cb 1.01 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3hij h ALA 125 CO 0.09 0.65 0.00 0.93 0.00 0.00 0.00 179.25 180.92 3hij h GLU 126 N 1.22 0.00 -0.01 0.00 5.08 -0.92 -2.90 114.58 117.05 3hij h GLU 126 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3hij h GLU 126 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3hij h GLU 126 CO -0.05 0.00 -0.29 -1.13 -1.00 0.00 0.00 179.01 176.54 3hij n SER 127 N -2.66 1.32 -4.06 1.42 3.41 -0.60 -4.85 113.62 107.60 3hij n SER 127 Ca -0.01 -1.09 -0.14 0.00 -0.26 0.00 0.00 58.87 57.37 3hij n SER 127 Cb 0.13 0.21 -0.12 0.00 -0.26 0.00 0.00 64.21 64.17 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 -2.46 0.56 -0.67 6.66 -1.32 -1.10 -4.80 115.64 112.52 3hij s THR 128 Ca 0.24 -1.01 0.25 0.00 -1.21 0.00 0.00 61.69 59.96 3hij s THR 128 Cb 0.19 -0.61 0.29 0.00 -1.51 0.00 0.00 72.50 70.86 3hij s THR 128 CO 0.52 -0.32 1.73 1.55 -2.21 0.00 0.00 174.62 175.89 3hij h PRO 129 N 4.63 0.00 -7.17 7.08 0.13 -1.89 -3.48 132.00 131.31 3hij h PRO 129 Ca -0.35 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.25 3hij h PRO 129 Cb 1.20 0.00 0.15 0.00 0.13 0.00 0.00 31.00 32.48 3hij h PRO 129 CO 0.42 0.00 0.40 -0.51 -0.23 0.00 0.00 178.00 178.07 3hij s LEU 130 N -4.88 3.35 0.52 1.56 1.43 -1.26 -4.95 118.68 114.45 3hij s LEU 130 Ca 0.10 2.32 -0.23 0.00 -1.03 0.00 0.00 54.13 55.29 3hij s LEU 130 Cb 0.11 -4.59 -0.06 0.00 0.03 0.00 0.00 46.19 41.69 3hij s LEU 130 CO 0.61 -2.13 1.34 -2.84 0.23 0.00 0.00 176.35 173.57 3hij s PRO 131 N -3.88 3.32 -0.09 1.29 0.02 -1.26 -4.84 135.00 129.56 3hij s PRO 131 Ca 0.74 2.20 0.04 0.00 0.02 0.00 0.00 61.00 63.99 3hij s PRO 131 Cb -0.28 -2.35 -0.01 0.00 0.02 0.00 0.00 34.50 31.88 3hij s PRO 131 CO 0.44 -1.03 -0.21 0.08 -0.33 0.00 0.00 177.00 175.94 3hij s VAL 132 N -1.32 2.31 -0.25 3.83 1.01 0.23 -1.45 120.40 124.76 3hij s VAL 132 Ca 0.69 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 61.64 3hij s VAL 132 Cb -0.39 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 3hij s VAL 132 CO 0.47 0.56 0.10 -0.32 0.00 0.00 0.00 175.10 175.90 3hij s MET 133 N 0.19 3.75 0.77 2.72 1.75 0.92 -1.60 119.30 127.80 3hij s MET 133 Ca -0.13 -0.43 -0.12 0.00 -1.25 0.00 0.00 55.69 53.76 3hij s MET 133 Cb -0.16 -3.39 0.06 0.00 2.84 0.00 0.00 34.83 34.18 3hij s MET 133 CO 0.07 -0.14 1.12 -0.51 -0.65 0.00 0.00 175.02 174.91 3hij s LEU 134 N 1.53 3.11 -0.22 4.11 1.43 -0.17 -0.92 118.68 127.56 3hij s LEU 134 Ca 0.06 2.01 -0.04 0.00 -1.03 0.00 0.00 54.13 55.12 3hij s LEU 134 Cb -0.15 -4.55 0.07 0.00 0.03 0.00 0.00 46.19 41.60 3hij s LEU 134 CO 0.05 -2.19 0.10 -0.47 0.23 0.00 0.00 176.35 174.07 3hij s TYR 135 N -2.61 0.35 -0.22 0.29 5.04 -0.53 -4.28 117.35 115.39 3hij s TYR 135 Ca 0.65 -0.59 -0.20 0.00 -2.44 0.00 0.00 57.07 54.49 3hij s TYR 135 Cb -0.21 -0.82 -0.02 0.00 0.35 0.00 0.00 41.96 41.26 3hij s TYR 135 CO 0.52 -0.64 0.60 1.21 -1.34 0.00 0.00 175.55 175.90 3hij s ASN 136 N 2.09 6.60 -0.41 4.32 2.47 -1.26 -1.29 114.94 127.46 3hij s ASN 136 Ca 0.04 0.73 0.08 0.00 0.42 0.00 0.00 52.86 54.13 3hij s ASN 136 Cb -0.16 -2.33 0.25 0.00 -1.45 0.00 0.00 41.25 37.56 3hij s ASN 136 CO -0.19 -0.29 0.62 0.55 -3.72 0.00 0.00 177.10 174.07 3hij n VAL 137 N 4.88 -0.51 0.31 -5.21 3.14 -1.26 -0.59 118.33 119.08 3hij n VAL 137 Ca -0.02 -3.40 0.19 0.00 -2.96 0.00 0.00 64.34 58.15 3hij n VAL 137 Cb 0.50 -1.05 0.93 0.00 -1.06 0.00 0.00 33.84 33.16 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 3.96 0.00 0.00 1.45 0.13 -1.81 0.54 132.00 136.28 3hij h PRO 138 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 3hij h PRO 138 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3hij h PRO 138 CO 0.43 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.61 3hij n GLY 139 N -0.61 -1.00 0.00 1.56 0.00 -1.26 -0.61 105.19 103.27 3hij n GLY 139 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.37 2.17 0.00 1.61 1.74 -0.02 -4.81 116.66 115.98 3hij n ARG 140 Ca 0.07 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.26 3hij n ARG 140 Cb 0.18 -0.87 -0.01 0.00 -1.02 0.00 0.00 32.46 30.74 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 -1.78 1.23 0.00 0.55 7.64 -0.06 -4.73 113.62 116.47 3hij n SER 141 Ca 0.00 -1.05 0.00 0.00 1.01 0.00 0.00 58.87 58.83 3hij n SER 141 Cb 0.37 0.70 0.00 0.00 -1.01 0.00 0.00 64.21 64.27 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 -1.03 0.00 -1.54 0.44 5.41 0.22 -4.28 119.36 118.58 3hij n ILE 142 Ca 0.06 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.49 3hij n ILE 142 Cb 0.37 0.00 0.07 0.00 -0.71 0.00 0.00 39.64 39.37 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 3.12 0.11 1.39 -7.23 -1.26 -4.77 120.40 111.77 3hij s VAL 143 Ca 0.00 0.47 0.07 0.00 -1.81 0.00 0.00 61.98 60.72 3hij s VAL 143 Cb 0.00 -2.96 -0.04 0.00 0.56 0.00 0.00 36.38 33.94 3hij s VAL 143 CO 0.00 -0.37 -0.11 0.00 -0.31 0.00 0.00 175.10 174.31 3hij s GLN 144 N -4.32 2.08 -0.43 4.82 1.03 -1.26 -3.88 119.66 117.70 3hij s GLN 144 Ca 0.66 -1.06 -0.27 0.00 0.04 0.00 0.00 55.36 54.73 3hij s GLN 144 Cb -0.20 -2.27 0.02 0.00 0.03 0.00 0.00 33.01 30.59 3hij s GLN 144 CO 0.47 0.50 0.99 0.42 -2.54 0.00 0.00 175.29 175.12 3hij s ILE 145 N -1.25 4.43 0.72 3.63 1.01 -1.26 -4.93 121.20 123.54 3hij s ILE 145 Ca 0.21 1.04 -0.16 0.00 0.00 0.00 0.00 60.65 61.75 3hij s ILE 145 Cb -0.11 -4.46 0.03 0.00 0.01 0.00 0.00 42.46 37.93 3hij s ILE 145 CO 0.14 -0.79 1.24 -1.54 0.00 0.00 0.00 174.94 173.99 3hij n SER 146 N 7.24 1.57 -0.26 3.58 3.41 -1.26 -4.73 113.62 123.17 3hij n SER 146 Ca 0.08 0.72 0.06 0.00 -0.26 0.00 0.00 58.87 59.48 3hij n SER 146 Cb 0.48 -1.53 0.18 0.00 -0.26 0.00 0.00 64.21 63.09 3hij n SER 146 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3hij h VAL 147 N -0.09 0.41 -0.51 -3.33 2.07 -1.94 0.63 116.25 113.48 3hij h VAL 147 Ca -0.49 -0.06 -0.08 0.00 0.82 0.00 0.00 66.70 66.89 3hij h VAL 147 Cb 1.32 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3hij h VAL 147 CO 0.50 0.03 0.00 0.44 0.02 0.00 0.00 177.57 178.56 3hij h ASP 148 N 0.18 0.83 -0.59 0.57 3.32 -1.99 0.31 116.42 119.05 3hij h ASP 148 Ca 0.43 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 3hij h ASP 148 Cb 0.77 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 3hij h ASP 148 CO -0.59 0.90 0.24 0.74 -1.72 0.00 0.00 179.24 178.81 3hij h THR 149 N 0.80 1.23 -0.51 0.35 2.02 -1.66 -0.95 112.91 114.19 3hij h THR 149 Ca 0.15 -0.69 -0.03 0.00 0.77 0.00 0.00 66.41 66.61 3hij h THR 149 Cb 0.48 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 3hij h THR 149 CO 0.02 0.27 0.19 0.58 0.37 0.00 0.00 175.52 176.95 3hij h VAL 150 N 0.82 1.22 -0.41 3.16 2.07 -0.36 -0.75 116.25 121.99 3hij h VAL 150 Ca 0.20 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 67.04 3hij h VAL 150 Cb 0.19 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3hij h VAL 150 CO -0.02 0.26 0.25 0.58 0.02 0.00 0.00 177.57 178.66 3hij h VAL 151 N 0.68 1.05 -0.39 2.57 2.07 -0.74 0.20 116.25 121.69 3hij h VAL 151 Ca 0.17 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.53 3hij h VAL 151 Cb 0.22 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 3hij h VAL 151 CO -0.01 0.09 0.23 0.03 0.02 0.00 0.00 177.57 177.93 3hij h ARG 152 N 0.50 0.46 -0.32 1.57 3.08 -0.97 -2.46 114.38 116.23 3hij h ARG 152 Ca 0.16 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 3hij h ARG 152 Cb 0.01 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3hij h ARG 152 CO -0.07 0.30 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.04 3hij h LEU 153 N 0.47 0.47 -2.59 3.04 3.38 -0.62 -2.77 115.31 116.70 3hij h LEU 153 Ca 0.15 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hij h LEU 153 Cb 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3hij h LEU 153 CO -0.07 0.56 0.00 0.77 0.09 0.00 0.00 178.44 179.79 3hij h SER 154 N 0.48 0.00 1.23 -0.43 4.64 -0.13 -0.52 113.55 118.82 3hij h SER 154 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3hij h SER 154 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3hij h SER 154 CO 0.01 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.35 3hij n GLU 155 N -3.05 0.18 -2.65 4.77 1.02 -1.04 -4.72 120.64 115.14 3hij n GLU 155 Ca -0.02 0.19 -0.40 0.00 -0.02 0.00 0.00 57.16 56.91 3hij n GLU 155 Cb 0.12 -1.73 -0.05 0.00 -0.02 0.00 0.00 31.44 29.76 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 -3.10 3.93 0.15 -3.67 1.01 -0.20 -4.95 121.20 114.36 3hij s ILE 156 Ca 0.11 1.89 -0.17 0.00 0.00 0.00 0.00 60.65 62.47 3hij s ILE 156 Cb 0.13 -4.20 -0.00 0.00 0.01 0.00 0.00 42.46 38.40 3hij s ILE 156 CO 0.54 0.43 1.78 -0.08 0.00 0.00 0.00 174.94 177.61 3hij h GLU 157 N 4.25 0.37 -0.54 2.79 4.81 -1.86 -2.31 114.58 122.09 3hij h GLU 157 Ca -0.45 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3hij h GLU 157 Cb 1.20 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3hij h GLU 157 CO 0.68 0.24 0.00 0.27 -0.73 0.00 0.00 179.01 179.48 3hij n ASN 158 N -4.92 2.92 -4.46 1.04 6.94 -1.26 -4.71 115.26 110.80 3hij n ASN 158 Ca 0.00 -2.06 -0.43 0.00 -0.02 0.00 0.00 54.58 52.06 3hij n ASN 158 Cb 0.07 -0.37 -0.08 0.00 -2.36 0.00 0.00 39.78 37.03 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 -1.40 5.06 -0.02 1.53 1.01 -0.87 0.76 121.20 127.28 3hij s ILE 159 Ca 0.35 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.52 3hij s ILE 159 Cb 0.19 -4.11 -0.00 0.00 0.01 0.00 0.00 42.46 38.55 3hij s ILE 159 CO 0.22 -0.52 0.18 1.33 0.00 0.00 0.00 174.94 176.15 3hij n VAL 160 N 5.44 0.00 -3.61 2.92 0.24 -0.62 -4.62 118.33 118.08 3hij n VAL 160 Ca -0.08 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.34 61.64 3hij n VAL 160 Cb 0.46 1.00 -0.02 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 -0.68 -1.52 0.00 2.33 0.00 -1.21 -1.61 121.76 119.07 3hij s ALA 161 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.23 3hij s ALA 161 Cb 0.00 0.78 0.00 0.00 0.00 0.00 0.00 23.12 23.90 3hij s ALA 161 CO 0.01 -0.88 0.00 1.51 0.00 0.00 0.00 175.76 176.40 3hij n ILE 162 N -0.40 0.00 -3.15 0.00 3.06 -0.74 -1.00 119.36 117.13 3hij n ILE 162 Ca -0.10 0.00 0.05 0.00 -2.50 0.00 0.00 62.75 60.20 3hij n ILE 162 Cb 0.62 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 -0.50 -0.39 9.51 -1.08 0.64 -0.98 116.67 124.94 3hij s ASP 164 Ca 0.00 0.17 0.06 0.00 -0.52 0.00 0.00 52.55 52.26 3hij s ASP 164 Cb 0.00 1.36 0.67 0.00 -1.46 0.00 0.00 42.92 43.50 3hij s ASP 164 CO 0.00 -0.09 1.83 0.00 0.52 0.00 0.00 175.17 177.43 3hij n ALA 165 N 5.29 5.14 1.00 3.66 0.00 0.24 -0.30 120.51 135.55 3hij n ALA 165 Ca 0.02 -2.76 0.09 0.00 0.00 0.00 0.00 53.44 50.79 3hij n ALA 165 Cb 0.56 -1.31 0.51 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.85 -0.81 3.02 0.00 0.00 -1.25 -4.57 105.19 100.73 3hij n GLY 166 Ca 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 0.28 0.24 2.94 -0.02 0.00 -1.26 -4.96 105.19 102.41 3hij n GLY 167 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.13 4.21 0.06 1.61 -1.08 -1.26 -4.97 116.67 113.12 3hij s ASP 168 Ca 0.00 -1.57 0.22 0.00 -0.52 0.00 0.00 52.55 50.68 3hij s ASP 168 Cb 0.00 -1.28 0.90 0.00 -1.46 0.00 0.00 42.92 41.08 3hij s ASP 168 CO 0.00 -0.31 1.69 1.33 0.52 0.00 0.00 175.17 178.41 3hij n VAL 169 N 4.56 0.59 0.02 1.11 0.24 -1.26 -2.80 118.33 120.80 3hij n VAL 169 Ca -0.06 0.10 -0.16 0.00 -2.04 0.00 0.00 64.34 62.18 3hij n VAL 169 Cb 0.43 -0.81 -0.06 0.00 -1.47 0.00 0.00 33.84 31.93 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 0.79 -0.40 1.34 3.38 -1.99 -1.12 115.31 117.31 3hij h LEU 170 Ca 0.00 -0.57 -0.10 0.00 0.09 0.00 0.00 57.88 57.30 3hij h LEU 170 Cb 0.41 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3hij h LEU 170 CO 0.00 1.36 -0.15 0.71 0.09 0.00 0.00 178.44 180.45 3hij h THR 171 N 0.40 1.28 -0.60 0.22 1.35 -1.97 -2.19 112.91 111.40 3hij h THR 171 Ca -0.07 -1.27 0.12 0.00 -0.55 0.00 0.00 66.41 64.64 3hij h THR 171 Cb 1.50 1.26 -0.10 0.00 -1.73 0.00 0.00 68.15 69.08 3hij h THR 171 CO 0.17 0.42 0.02 0.24 -0.25 0.00 0.00 175.52 176.13 3hij h MET 172 N 0.61 0.14 -0.52 4.72 2.86 -1.56 -0.05 114.93 121.13 3hij h MET 172 Ca 0.09 -0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.82 3hij h MET 172 Cb 0.69 -0.03 -0.08 0.00 0.06 0.00 0.00 31.60 32.24 3hij h MET 172 CO 0.05 0.09 0.08 1.15 1.06 0.00 0.00 176.91 179.34 3hij h THR 173 N 0.14 0.67 -0.30 2.22 2.02 -0.98 0.24 112.91 116.91 3hij h THR 173 Ca 0.31 -0.07 -0.13 0.00 0.77 0.00 0.00 66.41 67.29 3hij h THR 173 Cb 0.50 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 3hij h THR 173 CO -0.49 0.04 -0.35 -0.08 0.37 0.00 0.00 175.52 175.00 3hij h GLU 174 N 0.20 0.68 -0.50 6.66 4.81 -0.72 -0.99 114.58 124.72 3hij h GLU 174 Ca 0.27 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3hij h GLU 174 Cb 0.38 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 3hij h GLU 174 CO -0.37 0.93 0.22 0.82 -0.73 0.00 0.00 179.01 179.87 3hij h ILE 175 N 0.57 1.20 -0.18 2.32 2.04 -0.70 -1.23 117.51 121.53 3hij h ILE 175 Ca 0.06 -0.61 0.01 0.00 1.00 0.00 0.00 64.86 65.31 3hij h ILE 175 Cb 0.87 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 3hij h ILE 175 CO 0.08 0.23 0.11 0.40 0.00 0.00 0.00 178.15 178.97 3hij h ILE 176 N 0.66 1.03 -0.19 -0.67 2.04 -0.53 -1.59 117.51 118.25 3hij h ILE 176 Ca 0.17 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.92 3hij h ILE 176 Cb 0.16 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3hij h ILE 176 CO -0.02 0.04 -0.02 -0.08 0.00 0.00 0.00 178.15 178.08 3hij h GLU 177 N 0.22 0.35 0.00 2.37 4.81 -1.07 -3.12 114.58 118.14 3hij h GLU 177 Ca 0.07 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3hij h GLU 177 Cb -0.01 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3hij h GLU 177 CO -0.03 0.57 0.00 1.63 -0.73 0.00 0.00 179.01 180.45 3hij n LYS 178 N -4.68 0.27 -3.29 1.92 5.02 -0.48 -4.80 118.16 112.12 3hij n LYS 178 Ca -0.05 0.22 -0.21 0.00 -2.02 0.00 0.00 58.31 56.26 3hij n LYS 178 Cb 0.24 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.44 3hij n LYS 178 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3hij s THR 179 N -3.10 4.10 1.13 -0.18 -4.23 -0.60 -4.99 115.64 107.76 3hij s THR 179 Ca 0.11 -0.78 -0.12 0.00 -1.18 0.00 0.00 61.69 59.71 3hij s THR 179 Cb 0.12 -3.46 0.26 0.00 1.34 0.00 0.00 72.50 70.77 3hij s THR 179 CO 0.60 -0.24 1.05 0.00 -0.54 0.00 0.00 174.62 175.48 3hij s ALA 180 N -2.33 -0.20 -0.02 3.99 0.00 -1.26 -4.90 121.76 117.04 3hij s ALA 180 Ca 0.46 -0.01 0.24 0.00 0.00 0.00 0.00 51.96 52.65 3hij s ALA 180 Cb -0.10 -3.28 0.77 0.00 0.00 0.00 0.00 23.12 20.52 3hij s ALA 180 CO 0.34 -3.70 1.76 -0.44 0.00 0.00 0.00 175.76 173.72 3hij h ASP 181 N -2.53 0.00 -0.27 0.00 3.32 -1.96 -2.97 116.42 112.02 3hij h ASP 181 Ca -0.59 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.46 3hij h ASP 181 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3hij h ASP 181 CO 0.49 0.18 0.00 -0.90 -1.72 0.00 0.00 179.24 177.29 3hij n ASP 182 N -3.25 1.56 -4.52 6.45 5.75 -1.26 -4.76 116.55 116.51 3hij n ASP 182 Ca 0.01 -2.03 -0.41 0.00 -0.01 0.00 0.00 54.79 52.35 3hij n ASP 182 Cb 0.47 -0.21 -0.09 0.00 -1.03 0.00 0.00 41.12 40.25 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 -1.64 3.21 -0.06 2.11 5.36 -1.12 -4.87 117.98 120.96 3hij s PHE 183 Ca 0.18 -0.17 -0.21 0.00 -0.96 0.00 0.00 56.93 55.77 3hij s PHE 183 Cb 0.10 -2.68 -0.04 0.00 -0.34 0.00 0.00 43.02 40.05 3hij s PHE 183 CO 0.12 -0.49 0.60 0.00 -1.46 0.00 0.00 175.22 173.98 3hij s ALA 184 N 1.97 3.42 -0.25 11.12 0.00 -0.64 -4.94 121.76 132.45 3hij s ALA 184 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 51.96 52.02 3hij s ALA 184 Cb -0.17 -2.79 -0.00 0.00 0.00 0.00 0.00 23.12 20.15 3hij s ALA 184 CO 0.12 0.01 0.01 0.08 0.00 0.00 0.00 175.76 175.98 3hij s VAL 185 N 0.44 3.63 -0.03 0.00 1.01 -1.26 -1.79 120.40 122.41 3hij s VAL 185 Ca 0.32 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 3hij s VAL 185 Cb -0.17 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 3hij s VAL 185 CO 0.15 0.29 0.09 -0.31 0.00 0.00 0.00 175.10 175.33 3hij s TYR 186 N 1.49 3.35 0.54 5.22 2.02 -0.15 0.02 117.35 129.83 3hij s TYR 186 Ca 0.04 0.26 -0.19 0.00 -0.37 0.00 0.00 57.07 56.81 3hij s TYR 186 Cb -0.15 -1.78 -0.06 0.00 -0.40 0.00 0.00 41.96 39.57 3hij s TYR 186 CO -0.01 0.58 1.10 0.45 -1.57 0.00 0.00 175.55 176.10 3hij s SER 187 N -1.61 5.87 -0.11 2.29 0.15 -0.41 -0.26 113.70 119.63 3hij s SER 187 Ca 0.22 2.07 0.14 0.00 0.70 0.00 0.00 55.95 59.08 3hij s SER 187 Cb -0.12 -2.57 0.41 0.00 -1.71 0.00 0.00 66.02 62.03 3hij s SER 187 CO 0.12 -1.11 1.33 0.61 1.20 0.00 0.00 173.24 175.38 3hij n GLY 188 N -0.06 3.61 2.98 9.45 0.00 0.59 -1.17 105.19 120.60 3hij n GLY 188 Ca 0.11 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.63 2.46 0.17 1.61 1.01 -1.26 -4.70 116.67 114.33 3hij s ASP 189 Ca 0.33 -0.41 -0.14 0.00 0.71 0.00 0.00 52.55 53.04 3hij s ASP 189 Cb 0.24 -1.04 0.09 0.00 1.01 0.00 0.00 42.92 43.22 3hij s ASP 189 CO 0.10 -0.07 1.81 0.44 0.21 0.00 0.00 175.17 177.66 3hij h ASP 190 N 8.01 0.46 -0.04 0.27 3.32 -1.92 -1.31 116.42 125.21 3hij h ASP 190 Ca -0.34 0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.72 3hij h ASP 190 Cb 1.14 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.60 3hij h ASP 190 CO 0.48 0.32 0.04 1.23 -1.72 0.00 0.00 179.24 179.59 3hij h GLY 191 N 0.57 0.00 -0.83 2.75 0.00 -1.92 -1.36 103.07 102.28 3hij h GLY 191 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 3hij h GLY 191 CO -0.10 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.48 3hij n LEU 192 N -4.01 1.82 -0.36 3.11 4.77 -0.50 -4.53 117.00 117.30 3hij n LEU 192 Ca -0.02 -0.67 -0.10 0.00 -0.03 0.00 0.00 56.01 55.19 3hij n LEU 192 Cb 0.13 -0.05 -0.09 0.00 -2.33 0.00 0.00 43.42 41.08 3hij n LEU 192 CO 0.29 0.33 0.48 0.74 -1.33 0.00 0.00 177.39 177.91 3hij h THR 193 N 2.67 0.00 0.05 -5.08 2.02 -1.16 0.26 112.91 111.67 3hij h THR 193 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3hij h THR 193 Cb 0.57 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 3hij h THR 193 CO 0.00 0.00 -0.02 0.25 0.37 0.00 0.00 175.52 176.12 3hij h LEU 194 N -0.04 -0.05 -1.08 2.58 5.85 -1.83 0.04 115.31 120.78 3hij h LEU 194 Ca 0.14 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 3hij h LEU 194 Cb 0.40 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3hij h LEU 194 CO -0.83 0.14 -0.03 1.55 -0.34 0.00 0.00 178.44 178.93 3hij h PRO 195 N -0.24 0.62 -0.35 5.25 0.13 -1.83 0.17 132.00 135.75 3hij h PRO 195 Ca -0.01 -0.16 -0.15 0.00 -0.87 0.00 0.00 66.00 64.82 3hij h PRO 195 Cb 0.22 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.26 3hij h PRO 195 CO 0.01 0.66 -0.35 0.00 -0.23 0.00 0.00 178.00 178.09 3hij h ALA 196 N 1.39 0.51 -0.17 -0.56 0.00 -0.24 -2.77 119.26 117.41 3hij h ALA 196 Ca 0.12 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 3hij h ALA 196 Cb 0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3hij h ALA 196 CO 0.02 0.58 -0.22 0.52 0.00 0.00 0.00 179.25 180.16 3hij h MET 197 N 0.64 0.30 -0.56 0.00 2.86 -0.39 -0.88 114.93 116.91 3hij h MET 197 Ca 0.05 -0.09 0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3hij h MET 197 Cb 0.94 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.54 3hij h MET 197 CO 0.09 0.51 0.37 0.00 1.06 0.00 0.00 176.91 178.93 3hij h ALA 198 N 1.51 1.69 -0.01 6.32 0.00 -0.51 -0.76 119.26 127.49 3hij h ALA 198 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hij h ALA 198 Cb 0.54 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3hij h ALA 198 CO 0.04 0.26 -0.06 1.33 0.00 0.00 0.00 179.25 180.82 3hij n VAL 199 N -4.46 0.00 0.00 0.00 0.24 -0.79 -4.93 118.33 108.39 3hij n VAL 199 Ca 0.06 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 3hij n VAL 199 Cb 0.12 0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 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 1.20 1.02 3.77 7.63 0.00 -0.29 -4.86 105.19 113.65 3hij n GLY 200 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.96 3.25 0.06 4.61 0.00 -0.40 -4.80 121.76 122.51 3hij s ALA 201 Ca 0.00 1.32 0.17 0.00 0.00 0.00 0.00 51.96 53.44 3hij s ALA 201 Cb 0.00 -3.52 0.41 0.00 0.00 0.00 0.00 23.12 20.01 3hij s ALA 201 CO 0.00 -0.96 1.61 -0.22 0.00 0.00 0.00 175.76 176.18 3hij h LYS 202 N 2.53 0.00 0.00 0.00 3.64 -0.74 -3.39 116.57 118.61 3hij h LYS 202 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3hij h LYS 202 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3hij h LYS 202 CO 0.62 0.46 0.00 0.41 -2.27 0.00 0.00 179.45 178.67 3hij n GLY 203 N 0.64 -0.58 3.20 5.01 0.00 -1.26 -4.53 105.19 107.67 3hij n GLY 203 Ca 0.01 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.50 1.48 -0.40 -0.61 1.10 0.01 -1.28 121.20 118.00 3hij s ILE 204 Ca 0.00 -0.95 -0.16 0.00 -0.51 0.00 0.00 60.65 59.03 3hij s ILE 204 Cb 0.00 -1.26 0.01 0.00 0.15 0.00 0.00 42.46 41.36 3hij s ILE 204 CO 0.00 0.29 0.38 -0.69 -2.11 0.00 0.00 174.94 172.81 3hij s VAL 205 N -0.61 5.16 0.16 4.00 1.01 -0.31 -1.12 120.40 128.69 3hij s VAL 205 Ca 0.07 -0.38 0.08 0.00 0.00 0.00 0.00 61.98 61.74 3hij s VAL 205 Cb -0.08 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 3hij s VAL 205 CO 0.00 -0.33 -0.05 -0.55 0.00 0.00 0.00 175.10 174.17 3hij s SER 206 N 1.76 4.53 -0.20 3.32 0.15 0.68 -4.50 113.70 119.43 3hij s SER 206 Ca 0.10 -0.45 -0.03 0.00 0.70 0.00 0.00 55.95 56.27 3hij s SER 206 Cb -0.18 -0.88 -0.11 0.00 -1.71 0.00 0.00 66.02 63.14 3hij s SER 206 CO 0.12 0.11 -0.21 0.52 1.20 0.00 0.00 173.24 174.99 3hij n VAL 207 N 0.12 1.11 0.33 4.45 0.31 -1.26 -1.17 118.33 122.22 3hij n VAL 207 Ca -0.11 -0.37 0.11 0.00 -0.01 0.00 0.00 64.34 63.97 3hij n VAL 207 Cb 0.55 -1.41 0.49 0.00 -0.91 0.00 0.00 33.84 32.55 3hij n VAL 207 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hij n ALA 208 N -3.40 1.48 0.36 3.52 0.00 -1.26 -2.19 120.51 119.02 3hij n ALA 208 Ca -0.36 0.11 0.05 0.00 0.00 0.00 0.00 53.44 53.23 3hij n ALA 208 Cb 0.83 -1.35 0.21 0.00 0.00 0.00 0.00 19.45 19.14 3hij n ALA 208 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hij n SER 209 N -2.18 0.00 -0.02 0.00 3.41 -1.26 -0.40 113.62 113.17 3hij n SER 209 Ca 0.01 0.43 -0.03 0.00 -0.26 0.00 0.00 58.87 59.02 3hij n SER 209 Cb 0.17 -0.46 0.21 0.00 -0.26 0.00 0.00 64.21 63.87 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 0.63 0.00 7.33 3.86 -1.78 -2.84 115.15 122.36 3hij h HIS 210 Ca 0.00 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 3hij h HIS 210 Cb 0.15 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.46 3hij h HIS 210 CO 0.00 0.69 -0.40 1.33 0.86 0.00 0.00 177.93 180.41 3hij n VAL 211 N -4.18 0.00 -2.53 2.45 0.24 -0.37 -4.77 118.33 109.17 3hij n VAL 211 Ca 0.01 -0.27 -0.06 0.00 -2.04 0.00 0.00 64.34 61.98 3hij n VAL 211 Cb 0.35 0.77 0.05 0.00 -1.47 0.00 0.00 33.84 33.53 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 -1.14 1.56 -0.24 1.34 -5.35 0.47 -4.90 119.36 111.09 3hij n ILE 212 Ca 0.00 -3.14 -0.05 0.00 -0.27 0.00 0.00 62.75 59.28 3hij n ILE 212 Cb 0.00 0.54 0.05 0.00 -1.74 0.00 0.00 39.64 38.48 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 2.30 0.94 0.77 3.28 0.00 -1.64 -0.86 103.07 107.85 3hij h GLY 213 Ca 0.00 -0.36 0.04 0.00 0.00 0.00 0.00 47.33 47.01 3hij h GLY 213 CO 0.33 0.35 0.33 3.43 0.00 0.00 0.00 176.54 180.99 3hij h ASN 214 N 0.91 0.51 -0.51 0.19 2.35 -1.85 0.25 115.58 117.42 3hij h ASN 214 Ca 0.24 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.96 3hij h ASN 214 Cb -0.09 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 3hij h ASN 214 CO -0.05 0.35 0.14 -0.33 -1.65 0.00 0.00 177.43 175.88 3hij h GLU 215 N 0.64 0.86 -0.29 0.81 3.07 -1.88 -1.23 114.58 116.57 3hij h GLU 215 Ca 0.25 -0.18 -0.16 0.00 -0.50 0.00 0.00 59.36 58.78 3hij h GLU 215 Cb 0.11 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 3hij h GLU 215 CO -0.14 0.77 -0.45 0.52 -1.40 0.00 0.00 179.01 178.31 3hij h MET 216 N 0.83 0.76 -0.36 2.33 2.86 -0.37 0.93 114.93 121.90 3hij h MET 216 Ca 0.18 -0.42 -0.01 0.00 -2.06 0.00 0.00 59.70 57.39 3hij h MET 216 Cb 0.30 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 3hij h MET 216 CO -0.00 1.05 0.20 0.37 1.06 0.00 0.00 176.91 179.59 3hij h GLN 217 N 0.61 0.51 -0.27 1.72 4.15 -0.31 -0.63 115.11 120.89 3hij h GLN 217 Ca 0.04 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.41 3hij h GLN 217 Cb 1.01 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.59 3hij h GLN 217 CO 0.10 0.42 0.16 1.49 -1.93 0.00 0.00 178.83 179.07 3hij h GLU 218 N 0.46 0.32 -0.78 1.69 4.57 -1.09 0.31 114.58 120.06 3hij h GLU 218 Ca 0.13 -0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.37 3hij h GLU 218 Cb 0.06 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.51 3hij h GLU 218 CO -0.02 0.21 0.44 1.98 -1.18 0.00 0.00 179.01 180.44 3hij h MET 219 N 0.33 0.74 -0.11 1.92 4.05 -0.46 0.15 114.93 121.55 3hij h MET 219 Ca 0.10 -0.04 -0.21 0.00 -0.28 0.00 0.00 59.70 59.27 3hij h MET 219 Cb -0.01 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 30.62 3hij h MET 219 CO -0.04 0.49 -0.78 0.82 0.23 0.00 0.00 176.91 177.63 3hij h ILE 220 N 0.76 1.32 -0.45 1.77 2.04 -0.91 0.34 117.51 122.38 3hij h ILE 220 Ca 0.37 -2.08 -0.08 0.00 1.00 0.00 0.00 64.86 64.07 3hij h ILE 220 Cb 0.31 2.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 3hij h ILE 220 CO -0.23 0.64 -0.02 0.00 0.00 0.00 0.00 178.15 178.54 3hij h ALA 221 N 0.72 0.61 -0.11 1.87 0.00 -0.50 -0.19 119.26 121.65 3hij h ALA 221 Ca -0.05 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.59 3hij h ALA 221 Cb 1.39 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3hij h ALA 221 CO 0.15 0.43 0.04 0.00 0.00 0.00 0.00 179.25 179.86 3hij h ALA 222 N 0.90 0.12 -0.31 0.00 0.00 -0.59 -0.75 119.26 118.63 3hij h ALA 222 Ca 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3hij h ALA 222 Cb 0.53 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3hij h ALA 222 CO 0.03 -0.42 0.13 0.35 0.00 0.00 0.00 179.25 179.34 3hij h PHE 223 N 0.09 0.47 -0.03 0.00 3.57 -0.78 0.27 116.94 120.53 3hij h PHE 223 Ca 0.05 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 3hij h PHE 223 Cb 0.03 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 3hij h PHE 223 CO -0.10 0.44 -0.25 1.96 -2.23 0.00 0.00 178.31 178.13 3hij h GLN 224 N 0.36 0.05 0.00 1.11 4.20 -0.86 -1.12 115.11 118.85 3hij h GLN 224 Ca 0.11 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3hij h GLN 224 Cb 0.16 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.93 3hij h GLN 224 CO -0.01 0.29 0.00 0.00 -0.67 0.00 0.00 178.83 178.44 3hij h ALA 225 N 1.71 1.00 0.00 3.87 0.00 -0.72 -3.47 119.26 121.65 3hij h ALA 225 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hij h ALA 225 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3hij h ALA 225 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 3hij n GLY 226 N 0.24 0.68 3.41 0.00 0.00 -0.42 -5.01 105.19 104.08 3hij n GLY 226 Ca 0.01 -0.47 -0.45 0.00 0.00 0.00 0.00 46.02 45.12 3hij n GLY 226 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hij s GLU 227 N -0.95 4.03 0.54 1.61 -6.30 0.02 -4.87 118.70 112.79 3hij s GLU 227 Ca 0.00 -2.71 0.33 0.00 -2.50 0.00 0.00 54.97 50.09 3hij s GLU 227 Cb 0.00 -4.81 1.38 0.00 0.00 0.00 0.00 34.13 30.70 3hij s GLU 227 CO 0.00 -1.54 2.00 0.74 0.02 0.00 0.00 175.26 176.47 3hij h PHE 228 N 7.22 0.00 -0.04 5.30 0.04 -1.91 -2.47 116.94 125.08 3hij h PHE 228 Ca 0.23 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.96 3hij h PHE 228 Cb 0.90 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.06 3hij h PHE 228 CO 0.98 0.04 -0.15 0.87 -0.60 0.00 0.00 178.31 179.46 3hij h LYS 229 N 0.00 0.18 -0.20 1.51 1.79 -1.96 0.96 116.57 118.85 3hij h LYS 229 Ca -0.00 -0.13 -0.08 0.00 -2.18 0.00 0.00 60.65 58.26 3hij h LYS 229 Cb 0.50 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 3hij h LYS 229 CO 0.01 0.76 -0.23 -0.22 -1.08 0.00 0.00 179.45 178.69 3hij h LYS 230 N -0.37 0.36 -0.35 3.15 3.64 -1.94 -2.44 116.57 118.63 3hij h LYS 230 Ca -0.01 -0.12 -0.14 0.00 -1.27 0.00 0.00 60.65 59.11 3hij h LYS 230 Cb 0.78 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 3hij h LYS 230 CO 0.03 0.58 -0.34 0.00 -2.27 0.00 0.00 179.45 177.45 3hij h ALA 231 N 1.44 0.51 -0.27 5.00 0.00 -1.33 -0.74 119.26 123.86 3hij h ALA 231 Ca 0.05 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 3hij h ALA 231 Cb 0.59 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3hij h ALA 231 CO 0.04 0.57 -0.35 1.96 0.00 0.00 0.00 179.25 181.47 3hij h GLN 232 N 0.63 0.60 -0.47 0.00 4.20 -0.76 0.15 115.11 119.46 3hij h GLN 232 Ca 0.06 -0.29 -0.12 0.00 0.06 0.00 0.00 58.65 58.36 3hij h GLN 232 Cb 0.92 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 3hij h GLN 232 CO 0.08 0.87 -0.19 -0.22 -0.67 0.00 0.00 178.83 178.70 3hij h LYS 233 N 0.51 0.96 -0.06 1.46 3.64 -1.21 -1.07 116.57 120.81 3hij h LYS 233 Ca 0.05 -0.40 -0.16 0.00 -1.27 0.00 0.00 60.65 58.86 3hij h LYS 233 Cb 0.85 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 3hij h LYS 233 CO 0.07 1.07 -0.68 -0.07 -2.27 0.00 0.00 179.45 177.57 3hij h LEU 234 N 0.81 0.31 -0.74 5.20 3.38 -0.86 -2.89 115.31 120.52 3hij h LEU 234 Ca 0.11 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 57.94 3hij h LEU 234 Cb 0.76 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 3hij h LEU 234 CO 0.06 0.90 0.43 -0.74 0.09 0.00 0.00 178.44 179.18 3hij h HIS 235 N 0.18 0.79 -0.61 1.13 2.76 -0.54 0.46 115.15 119.32 3hij h HIS 235 Ca -0.02 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.19 3hij h HIS 235 Cb 1.23 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 29.91 3hij h HIS 235 CO 0.03 0.38 0.39 1.96 -1.30 0.00 0.00 177.93 179.39 3hij h GLN 236 N 0.78 0.76 -0.45 5.26 1.08 -1.09 -0.51 115.11 120.95 3hij h GLN 236 Ca 0.33 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.50 3hij h GLN 236 Cb 0.19 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 3hij h GLN 236 CO -0.18 0.50 0.26 1.25 -0.95 0.00 0.00 178.83 179.71 3hij h LEU 237 N 0.78 0.42 -0.65 1.46 5.85 -1.19 -2.59 115.31 119.39 3hij h LEU 237 Ca 0.23 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 3hij h LEU 237 Cb -0.05 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3hij h LEU 237 CO -0.07 0.30 0.16 0.25 -0.34 0.00 0.00 178.44 178.74 3hij h LEU 238 N 0.53 0.99 -0.36 2.25 5.85 -0.20 0.44 115.31 124.80 3hij h LEU 238 Ca 0.18 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 3hij h LEU 238 Cb 0.02 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 3hij h LEU 238 CO -0.08 0.96 0.04 0.58 -0.34 0.00 0.00 178.44 179.60 3hij h VAL 239 N 0.97 1.24 -0.22 1.05 2.07 -1.05 0.20 116.25 120.51 3hij h VAL 239 Ca 0.21 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 3hij h VAL 239 Cb 0.36 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3hij h VAL 239 CO 0.00 0.30 -0.02 -0.09 0.02 0.00 0.00 177.57 177.78 3hij h ARG 240 N 0.44 0.40 -0.29 1.57 2.43 -1.17 -0.91 114.38 116.85 3hij h ARG 240 Ca 0.11 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3hij h ARG 240 Cb 0.39 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3hij h ARG 240 CO 0.01 0.61 0.11 0.28 -1.51 0.00 0.00 179.97 179.47 3hij h VAL 241 N 0.14 1.18 -0.26 0.20 2.07 -0.87 -2.40 116.25 116.32 3hij h VAL 241 Ca 0.06 -0.56 0.05 0.00 0.82 0.00 0.00 66.70 67.06 3hij h VAL 241 Cb 0.44 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 3hij h VAL 241 CO 0.02 0.19 -0.01 0.74 0.02 0.00 0.00 177.57 178.53 3hij h THR 242 N 0.32 0.80 -0.97 2.57 2.02 -0.87 -1.83 112.91 114.96 3hij h THR 242 Ca 0.10 -0.02 0.13 0.00 0.77 0.00 0.00 66.41 67.39 3hij h THR 242 Cb 0.19 0.73 -0.09 0.00 -1.74 0.00 0.00 68.15 67.25 3hij h THR 242 CO -0.01 0.01 0.59 0.44 0.37 0.00 0.00 175.52 176.92 3hij h ASP 243 N 0.07 0.83 0.83 4.18 3.32 -1.10 0.14 116.42 124.70 3hij h ASP 243 Ca 0.12 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3hij h ASP 243 Cb 0.17 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3hij h ASP 243 CO -0.22 0.41 0.00 0.77 -1.72 0.00 0.00 179.24 178.49 3hij h SER 244 N 0.89 0.00 0.66 6.45 4.64 -0.83 -2.92 113.55 122.44 3hij h SER 244 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 3hij h SER 244 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3hij h SER 244 CO -0.29 0.00 -0.26 0.18 -0.87 0.00 0.00 176.83 175.59 3hij n LEU 245 N -2.86 0.33 -0.76 5.97 4.32 0.49 -3.90 117.00 120.59 3hij n LEU 245 Ca 0.01 0.18 0.06 0.00 -0.02 0.00 0.00 56.01 56.23 3hij n LEU 245 Cb 0.26 -0.33 0.15 0.00 -1.62 0.00 0.00 43.42 41.88 3hij n LEU 245 CO 0.24 0.08 0.30 0.49 -1.22 0.00 0.00 177.39 177.28 3hij n PHE 246 N -1.40 0.00 0.76 -1.77 3.72 -1.10 -4.41 117.46 113.26 3hij n PHE 246 Ca 0.07 -1.18 0.13 0.00 -0.05 0.00 0.00 57.45 56.42 3hij n PHE 246 Cb 0.33 -0.21 0.32 0.00 -0.94 0.00 0.00 39.48 38.97 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 -0.74 0.17 -4.17 -1.08 2.81 -1.23 -4.81 117.12 108.07 3hij n MET 247 Ca 0.15 0.08 -0.10 0.00 -1.81 0.00 0.00 57.70 56.01 3hij n MET 247 Cb 0.79 -1.63 -0.10 0.00 -0.71 0.00 0.00 33.22 31.57 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 -3.08 0.96 0.09 3.04 0.00 -1.26 -5.11 121.76 116.39 3hij s ALA 248 Ca 0.10 -1.42 -0.36 0.00 0.00 0.00 0.00 51.96 50.27 3hij s ALA 248 Cb 0.15 0.46 -0.17 0.00 0.00 0.00 0.00 23.12 23.56 3hij s ALA 248 CO 0.66 -0.35 1.27 -2.30 0.00 0.00 0.00 175.76 175.04 3hij n PRO 249 N -0.08 0.97 -2.71 0.00 -0.02 -1.26 -4.71 135.00 127.19 3hij n PRO 249 Ca -0.09 0.35 -0.38 0.00 -2.02 0.00 0.00 63.50 61.36 3hij n PRO 249 Cb 0.62 -1.94 -0.06 0.00 -0.02 0.00 0.00 33.50 32.10 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 0.32 7.31 -0.24 2.55 0.15 -1.26 -2.14 113.70 120.39 3hij s SER 250 Ca 0.83 1.94 0.14 0.00 0.70 0.00 0.00 55.95 59.56 3hij s SER 250 Cb -0.98 -2.59 0.79 0.00 -1.71 0.00 0.00 66.02 61.52 3hij s SER 250 CO 0.49 -0.09 1.72 -0.81 1.20 0.00 0.00 173.24 175.75 3hij n PRO 251 N 0.72 4.57 -0.34 5.44 -0.04 -1.26 -4.94 135.00 139.15 3hij n PRO 251 Ca 0.01 -3.13 0.01 0.00 -0.04 0.00 0.00 63.50 60.35 3hij n PRO 251 Cb 0.49 -2.22 0.14 0.00 -0.04 0.00 0.00 33.50 31.87 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 3.62 1.11 -0.38 0.52 2.02 -1.75 0.63 112.91 118.67 3hij h THR 252 Ca 0.03 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 3hij h THR 252 Cb 1.97 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 3hij h THR 252 CO 0.49 0.20 -0.01 -0.65 0.37 0.00 0.00 175.52 175.92 3hij h PRO 253 N 1.12 0.68 0.00 6.66 0.11 -1.78 -1.12 132.00 137.67 3hij h PRO 253 Ca 0.39 -0.22 -0.09 0.00 0.11 0.00 0.00 66.00 66.19 3hij h PRO 253 Cb 0.09 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 3hij h PRO 253 CO -0.15 0.79 -0.43 -0.24 -0.21 0.00 0.00 178.00 177.75 3hij h VAL 254 N 0.50 1.04 -0.21 3.15 3.04 -1.64 0.28 116.25 122.40 3hij h VAL 254 Ca 0.11 -1.65 -0.10 0.00 -1.01 0.00 0.00 66.70 64.05 3hij h VAL 254 Cb 0.49 1.96 -0.01 0.00 -2.01 0.00 0.00 31.29 31.71 3hij h VAL 254 CO 0.02 0.42 -0.28 0.11 -1.01 0.00 0.00 177.57 176.83 3hij h LYS 255 N 0.00 0.42 -0.06 4.17 1.57 -0.66 -0.89 116.57 121.12 3hij h LYS 255 Ca -0.00 -0.16 -0.25 0.00 -1.87 0.00 0.00 60.65 58.36 3hij h LYS 255 Cb 0.93 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 33.23 3hij h LYS 255 CO 0.06 0.67 -0.95 1.15 -0.57 0.00 0.00 179.45 179.81 3hij h THR 256 N 0.37 1.28 -0.85 -0.16 2.02 0.08 -2.93 112.91 112.72 3hij h THR 256 Ca 0.05 -2.15 -0.01 0.00 0.77 0.00 0.00 66.41 65.07 3hij h THR 256 Cb 0.69 2.23 -0.04 0.00 -1.74 0.00 0.00 68.15 69.29 3hij h THR 256 CO 0.05 0.67 0.49 0.00 0.37 0.00 0.00 175.52 177.10 3hij h ALA 257 N 0.47 1.08 -0.73 6.16 0.00 -0.41 -0.53 119.26 125.29 3hij h ALA 257 Ca -0.10 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.78 3hij h ALA 257 Cb 1.59 -0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 3hij h ALA 257 CO 0.19 0.57 0.39 -0.07 0.00 0.00 0.00 179.25 180.33 3hij h LEU 258 N 1.17 0.53 -0.71 0.00 3.38 -1.06 -0.54 115.31 118.08 3hij h LEU 258 Ca 0.30 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.25 3hij h LEU 258 Cb -0.00 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3hij h LEU 258 CO -0.05 0.31 0.17 -0.61 0.09 0.00 0.00 178.44 178.35 3hij h GLN 259 N 0.66 1.14 0.00 1.13 -0.00 -1.05 0.13 115.11 117.11 3hij h GLN 259 Ca 0.35 -0.27 -0.02 0.00 -0.00 0.00 0.00 58.65 58.71 3hij h GLN 259 Cb 0.34 -0.15 -0.00 0.00 0.00 0.00 0.00 27.48 27.67 3hij h GLN 259 CO -0.25 1.00 -0.11 0.52 0.00 0.00 0.00 178.83 179.99 3hij h MET 260 N 1.07 0.00 -0.65 1.69 2.86 0.37 -0.25 114.93 120.03 3hij h MET 260 Ca 0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 3hij h MET 260 Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 3hij h MET 260 CO 0.00 0.11 0.00 1.33 1.06 0.00 0.00 176.91 179.41 3hij n VAL 261 N -4.09 1.83 -0.60 -2.22 0.24 -0.58 -4.92 118.33 107.99 3hij n VAL 261 Ca -0.02 -1.21 0.00 0.00 -2.04 0.00 0.00 64.34 61.07 3hij n VAL 261 Cb 0.19 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 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 1.11 0.65 2.73 7.63 0.00 -0.11 -5.01 105.19 112.19 3hij n GLY 262 Ca 0.26 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 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 3.07 -4.71 0.99 0.00 0.34 -4.98 117.00 111.71 3hij n LEU 263 Ca 0.00 -5.24 -0.42 0.00 0.00 0.00 0.00 56.01 50.35 3hij n LEU 263 Cb 0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 43.42 42.73 3hij n LEU 263 CO 0.00 1.86 1.39 -0.62 0.00 0.00 0.00 177.39 180.01 3hij s ASP 264 N -1.71 6.40 -0.11 1.96 -1.08 -1.26 -3.79 116.67 117.08 3hij s ASP 264 Ca 0.30 2.83 0.14 0.00 -0.52 0.00 0.00 52.55 55.30 3hij s ASP 264 Cb 0.02 -2.59 0.27 0.00 -1.46 0.00 0.00 42.92 39.16 3hij s ASP 264 CO -0.12 -0.97 1.14 1.33 0.52 0.00 0.00 175.17 177.06 3hij n VAL 265 N 4.15 1.45 -4.33 1.11 0.24 -1.26 -4.98 118.33 114.71 3hij n VAL 265 Ca 0.16 -1.93 0.00 0.00 -2.04 0.00 0.00 64.34 60.53 3hij n VAL 265 Cb 0.36 -0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 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 -0.96 -0.36 0.00 7.63 0.00 -1.24 -1.06 105.19 109.20 3hij n GLY 266 Ca 0.13 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.70 0.27 -4.52 1.61 2.88 -1.26 -4.83 113.62 107.08 3hij n SER 267 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 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 1.96 1.66 -0.05 2.46 -7.23 -1.26 -4.59 120.40 113.35 3hij s VAL 268 Ca 0.00 -2.04 -0.03 0.00 -1.81 0.00 0.00 61.98 58.10 3hij s VAL 268 Cb 0.00 -2.80 -0.04 0.00 0.56 0.00 0.00 36.38 34.10 3hij s VAL 268 CO 0.00 -0.07 0.11 -0.13 -0.31 0.00 0.00 175.10 174.71 3hij s ARG 269 N -3.77 3.26 0.28 4.82 0.52 -1.26 -4.89 118.95 117.91 3hij s ARG 269 Ca 0.34 -0.32 -0.30 0.00 -0.52 0.00 0.00 55.73 54.93 3hij s ARG 269 Cb 0.08 -3.01 -0.13 0.00 0.52 0.00 0.00 34.95 32.40 3hij s ARG 269 CO 0.16 0.70 1.25 1.28 0.02 0.00 0.00 175.30 178.71 3hij n LEU 270 N 1.49 2.78 -0.37 2.53 4.77 -1.26 -1.46 117.00 125.49 3hij n LEU 270 Ca -0.15 1.17 0.08 0.00 -0.03 0.00 0.00 56.01 57.08 3hij n LEU 270 Cb 0.53 -1.39 0.35 0.00 -2.33 0.00 0.00 43.42 40.58 3hij n LEU 270 CO 0.36 -0.78 0.75 -0.81 -1.33 0.00 0.00 177.39 175.58 3hij n PRO 271 N 1.22 1.48 -2.94 3.23 -0.04 -1.26 -4.94 135.00 131.75 3hij n PRO 271 Ca 0.09 -0.73 -0.31 0.00 -0.04 0.00 0.00 63.50 62.51 3hij n PRO 271 Cb 0.32 -1.31 -0.05 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.42 3.92 0.08 1.53 1.43 -0.53 -5.09 118.68 118.59 3hij s LEU 272 Ca 0.27 1.24 0.04 0.00 -1.03 0.00 0.00 54.13 54.65 3hij s LEU 272 Cb 0.14 -4.09 -0.03 0.00 0.03 0.00 0.00 46.19 42.24 3hij s LEU 272 CO 0.21 -0.33 -0.12 -0.76 0.23 0.00 0.00 176.35 175.58 3hij s LEU 273 N -3.48 2.31 0.73 1.79 1.43 -1.26 -4.46 118.68 115.75 3hij s LEU 273 Ca 0.53 -0.67 -0.16 0.00 -1.03 0.00 0.00 54.13 52.81 3hij s LEU 273 Cb -0.10 -0.42 0.01 0.00 0.03 0.00 0.00 46.19 45.72 3hij s LEU 273 CO 0.25 -0.14 0.98 -2.65 0.23 0.00 0.00 176.35 175.02 3hij n PRO 274 N 1.08 0.47 -1.69 1.29 -0.02 -1.26 -4.89 135.00 129.97 3hij n PRO 274 Ca -0.20 0.22 -0.38 0.00 -2.02 0.00 0.00 63.50 61.11 3hij n PRO 274 Cb 0.55 -2.24 0.05 0.00 -0.02 0.00 0.00 33.50 31.84 3hij n PRO 274 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3hij n LEU 275 N -1.84 4.77 -4.72 2.45 4.32 -1.26 -5.01 117.00 115.71 3hij n LEU 275 Ca 0.13 0.92 -0.30 0.00 -0.02 0.00 0.00 56.01 56.74 3hij n LEU 275 Cb 0.50 -1.50 0.14 0.00 -1.62 0.00 0.00 43.42 40.93 3hij n LEU 275 CO 0.49 -1.07 0.67 0.42 -1.22 0.00 0.00 177.39 176.67 3hij s THR 276 N -1.36 2.65 0.29 -5.08 -4.23 -1.26 -4.81 115.64 101.84 3hij s THR 276 Ca 0.73 0.21 0.03 0.00 -1.18 0.00 0.00 61.69 61.48 3hij s THR 276 Cb -0.43 -2.71 0.28 0.00 1.34 0.00 0.00 72.50 70.98 3hij s THR 276 CO 0.48 -0.28 1.78 -0.08 -0.54 0.00 0.00 174.62 175.98 3hij h GLU 277 N -1.54 0.71 -0.12 3.99 4.57 -1.99 -0.26 114.58 119.94 3hij h GLU 277 Ca -0.49 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 57.64 3hij h GLU 277 Cb 1.28 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 3hij h GLU 277 CO 0.55 0.47 0.07 1.49 -1.18 0.00 0.00 179.01 180.41 3hij h GLU 278 N 0.73 0.17 -0.38 1.92 4.81 -2.00 -1.41 114.58 118.43 3hij h GLU 278 Ca 0.53 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.67 3hij h GLU 278 Cb 0.78 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 3hij h GLU 278 CO -0.37 0.19 -0.06 0.93 -0.73 0.00 0.00 179.01 178.97 3hij h GLU 279 N 0.11 0.64 -0.28 1.92 5.08 -1.76 -2.15 114.58 118.15 3hij h GLU 279 Ca 0.04 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.14 3hij h GLU 279 Cb 0.07 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3hij h GLU 279 CO -0.01 0.71 -0.18 -0.09 -1.00 0.00 0.00 179.01 178.44 3hij h ARG 280 N 0.60 0.49 -0.04 2.33 2.43 -0.75 0.74 114.38 120.19 3hij h ARG 280 Ca 0.11 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 3hij h ARG 280 Cb 0.47 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3hij h ARG 280 CO 0.02 0.65 -0.12 0.28 -1.51 0.00 0.00 179.97 179.30 3hij h VAL 281 N 0.45 1.46 -0.92 0.20 2.07 -0.88 0.29 116.25 118.92 3hij h VAL 281 Ca 0.08 -1.54 0.04 0.00 0.82 0.00 0.00 66.70 66.10 3hij h VAL 281 Cb 0.57 2.37 -0.06 0.00 -1.52 0.00 0.00 31.29 32.66 3hij h VAL 281 CO 0.04 0.42 0.59 0.74 0.02 0.00 0.00 177.57 179.38 3hij h THR 282 N -0.40 1.13 -0.23 2.57 2.02 -1.12 -1.61 112.91 115.26 3hij h THR 282 Ca -0.00 -0.39 -0.08 0.00 0.77 0.00 0.00 66.41 66.70 3hij h THR 282 Cb 0.74 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 3hij h THR 282 CO 0.03 0.21 -0.19 0.25 0.37 0.00 0.00 175.52 176.18 3hij h LEU 283 N 1.13 0.56 -1.10 2.58 5.85 -0.80 -2.80 115.31 120.72 3hij h LEU 283 Ca 0.38 -0.46 0.04 0.00 0.84 0.00 0.00 57.88 58.68 3hij h LEU 283 Cb 0.05 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 3hij h LEU 283 CO -0.14 0.90 0.61 -0.61 -0.34 0.00 0.00 178.44 178.86 3hij h GLN 284 N 0.23 1.12 -0.64 1.25 5.75 -0.58 0.11 115.11 122.34 3hij h GLN 284 Ca 0.04 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.44 3hij h GLN 284 Cb 0.72 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 28.99 3hij h GLN 284 CO 0.05 0.74 0.28 0.77 -2.65 0.00 0.00 178.83 178.02 3hij h SER 285 N 1.15 0.84 -0.23 -0.69 0.02 -1.24 -0.11 113.55 113.29 3hij h SER 285 Ca 0.37 -0.10 -0.17 0.00 -0.84 0.00 0.00 61.79 61.05 3hij h SER 285 Cb 0.03 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.36 3hij h SER 285 CO -0.12 0.74 -0.50 0.58 -1.14 0.00 0.00 176.83 176.39 3hij h VAL 286 N 0.92 1.28 -0.05 2.27 2.07 -0.66 -2.71 116.25 119.36 3hij h VAL 286 Ca 0.22 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.04 3hij h VAL 286 Cb 0.14 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3hij h VAL 286 CO -0.02 0.55 -0.02 0.24 0.02 0.00 0.00 177.57 178.33 3hij h MET 287 N 0.64 0.07 0.00 1.57 2.07 -0.27 -2.13 114.93 116.87 3hij h MET 287 Ca 0.03 -0.01 -0.14 0.00 -2.07 0.00 0.00 59.70 57.51 3hij h MET 287 Cb 1.09 -0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 30.78 3hij h MET 287 CO 0.11 0.11 -0.66 1.96 1.07 0.00 0.00 176.91 179.49 3hij h GLN 288 N 0.08 0.00 0.00 1.72 1.08 -0.81 -2.95 115.11 114.22 3hij h GLN 288 Ca 0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3hij h GLN 288 Cb 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 3hij h GLN 288 CO 0.00 0.66 0.00 -1.13 -0.95 0.00 0.00 178.83 177.41 3hij n SER 289 N -3.43 0.00 -4.66 1.46 3.41 -0.80 -4.78 113.62 104.82 3hij n SER 289 Ca 0.00 -0.50 -0.42 0.00 -0.26 0.00 0.00 58.87 57.69 3hij n SER 289 Cb 0.74 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.55 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 -2.21 4.78 0.17 -1.33 1.01 -1.12 -4.97 121.20 117.54 3hij s ILE 290 Ca 0.31 1.79 -0.33 0.00 0.00 0.00 0.00 60.65 62.43 3hij s ILE 290 Cb 0.16 -4.21 -0.12 0.00 0.01 0.00 0.00 42.46 38.30 3hij s ILE 290 CO 0.31 -0.09 1.70 -2.65 0.00 0.00 0.00 174.94 174.21 3hij n PRO 291 N 5.90 2.56 0.00 2.79 -0.02 -1.26 -5.09 135.00 139.87 3hij n PRO 291 Ca 0.08 0.92 0.04 0.00 -2.02 0.00 0.00 63.50 62.53 3hij n PRO 291 Cb 0.47 -2.75 0.03 0.00 -0.02 0.00 0.00 33.50 31.23 3hij n PRO 291 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02