#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aje s SER -6 N 0.00 -0.02 -0.59 1.61 1.04 -1.26 -5.11 113.70 109.36 1aje s SER -6 Ca 0.00 -0.52 0.04 0.00 0.48 0.00 0.00 55.95 55.95 1aje s SER -6 Cb 0.00 0.39 0.16 0.00 0.10 0.00 0.00 66.02 66.67 1aje s SER -6 CO 0.00 -0.78 0.39 -0.54 0.98 0.00 0.00 173.24 173.29 1aje s LYS -5 N -3.84 2.01 0.12 4.02 -0.14 -1.26 -5.09 119.74 115.57 1aje s LYS -5 Ca 0.04 -2.86 -0.03 0.00 -1.36 0.00 0.00 55.97 51.77 1aje s LYS -5 Cb 0.04 -3.02 -0.05 0.00 -1.68 0.00 0.00 37.83 33.11 1aje s LYS -5 CO -0.11 -1.24 0.33 -1.50 -0.76 0.00 0.00 175.35 172.06 1aje s ILE -4 N -0.77 5.24 1.13 2.17 1.10 -1.26 -5.07 121.20 123.74 1aje s ILE -4 Ca 0.23 -0.15 -0.18 0.00 -0.51 0.00 0.00 60.65 60.04 1aje s ILE -4 Cb -0.11 -3.64 0.14 0.00 0.15 0.00 0.00 42.46 39.00 1aje s ILE -4 CO -0.11 0.04 0.15 -0.38 -2.11 0.00 0.00 174.94 172.53 1aje n ILE -3 N 0.05 0.00 0.00 2.00 -0.00 -1.26 -5.01 119.36 115.14 1aje n ILE -3 Ca -0.03 -0.26 0.00 0.00 -0.00 0.00 0.00 62.75 62.46 1aje n ILE -3 Cb 0.52 -0.63 0.00 0.00 -0.00 0.00 0.00 39.64 39.53 1aje n ILE -3 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 1aje n SER -2 N -2.04 0.00 -3.44 4.38 2.88 -1.26 -4.99 113.62 109.16 1aje n SER -2 Ca 0.02 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.22 1aje n SER -2 Cb 0.58 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.00 1aje n SER -2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1aje n ALA -1 N -0.04 3.82 -1.18 -1.46 0.00 -1.24 -4.29 120.51 116.11 1aje n ALA -1 Ca 0.00 -2.74 -0.03 0.00 0.00 0.00 0.00 53.44 50.67 1aje n ALA -1 Cb 0.00 -3.37 0.25 0.00 0.00 0.00 0.00 19.45 16.33 1aje n ALA -1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aje n MET 1 N 5.88 2.78 -0.03 0.00 3.85 -1.26 -4.55 117.12 123.79 1aje n MET 1 Ca 0.47 -3.05 -0.05 0.00 -1.00 0.00 0.00 57.70 54.07 1aje n MET 1 Cb 0.29 -1.99 -0.03 0.00 -1.05 0.00 0.00 33.22 30.44 1aje n MET 1 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1aje n GLN 2 N -0.66 0.14 -2.46 3.17 1.13 -1.26 -5.11 117.38 112.34 1aje n GLN 2 Ca 0.35 0.04 -0.02 0.00 -1.94 0.00 0.00 57.00 55.44 1aje n GLN 2 Cb 1.18 -0.99 -0.01 0.00 0.11 0.00 0.00 30.24 30.53 1aje n GLN 2 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1aje n THR 3 N -2.87 -9.49 -3.99 5.09 -1.04 -1.26 -4.93 114.28 95.78 1aje n THR 3 Ca -0.11 2.14 -0.31 0.00 -2.04 0.00 0.00 64.05 63.73 1aje n THR 3 Cb 0.60 -5.00 -0.15 0.00 -1.82 0.00 0.00 70.33 63.97 1aje n THR 3 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1aje s ILE 4 N -0.44 2.41 0.65 12.58 1.09 0.55 -4.90 121.20 133.14 1aje s ILE 4 Ca -0.09 -2.54 -0.12 0.00 -1.10 0.00 0.00 60.65 56.81 1aje s ILE 4 Cb 0.01 -2.75 -0.02 0.00 -1.06 0.00 0.00 42.46 38.64 1aje s ILE 4 CO 0.23 -0.65 1.05 -0.75 -0.10 0.00 0.00 174.94 174.72 1aje s LYS 5 N 0.66 3.24 0.00 2.79 2.47 -1.26 0.11 119.74 127.76 1aje s LYS 5 Ca 0.12 0.93 -0.00 0.00 -1.56 0.00 0.00 55.97 55.46 1aje s LYS 5 Cb -0.21 -2.03 -0.00 0.00 -1.46 0.00 0.00 37.83 34.13 1aje s LYS 5 CO -0.06 -0.86 -0.00 0.00 0.16 0.00 0.00 175.35 174.59 1aje s VAL 7 N -0.22 3.80 -0.03 0.00 1.01 1.00 0.25 120.40 126.21 1aje s VAL 7 Ca -0.02 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.52 1aje s VAL 7 Cb -0.02 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 1aje s VAL 7 CO -0.00 0.41 0.25 -0.69 0.00 0.00 0.00 175.10 175.07 1aje s VAL 8 N 1.27 5.32 0.21 2.92 1.01 -0.97 -0.12 120.40 130.04 1aje s VAL 8 Ca 0.04 0.30 0.08 0.00 0.00 0.00 0.00 61.98 62.40 1aje s VAL 8 Cb -0.15 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 1aje s VAL 8 CO 0.01 0.48 -0.16 0.68 0.00 0.00 0.00 175.10 176.11 1aje s VAL 9 N -1.17 1.83 0.00 2.92 -7.23 -0.72 -4.03 120.40 111.99 1aje s VAL 9 Ca 0.23 -2.18 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 1aje s VAL 9 Cb -0.13 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.77 1aje s VAL 9 CO 0.12 -0.53 0.00 0.61 -0.31 0.00 0.00 175.10 174.99 1aje n GLY 10 N -0.29 -0.96 0.01 2.32 0.00 -1.26 -2.97 105.19 102.03 1aje n GLY 10 Ca -0.09 -1.66 0.01 0.00 0.00 0.00 0.00 46.02 44.29 1aje n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1aje n ASP 11 N -1.11 4.22 -0.60 1.61 9.92 -1.26 -4.93 116.55 124.40 1aje n ASP 11 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1aje n ASP 11 Cb 0.00 1.01 0.00 0.00 -0.64 0.00 0.00 41.12 41.49 1aje n ASP 11 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1aje n GLY 12 N 2.43 -3.75 0.45 0.44 0.00 -1.26 -3.04 105.19 100.46 1aje n GLY 12 Ca -0.02 -0.89 0.38 0.00 0.00 0.00 0.00 46.02 45.49 1aje n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aje h ALA 13 N 0.82 2.71 0.00 4.61 0.00 -1.91 -2.85 119.26 122.64 1aje h ALA 13 Ca 0.00 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1aje h ALA 13 Cb 0.00 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1aje h ALA 13 CO 0.00 -1.40 -1.39 0.28 0.00 0.00 0.00 179.25 176.74 1aje n VAL 14 N -4.80 0.39 0.00 0.00 0.31 -1.26 -5.03 118.33 107.94 1aje n VAL 14 Ca 0.39 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 1aje n VAL 14 Cb 1.49 -0.75 0.00 0.00 -0.91 0.00 0.00 33.84 33.67 1aje n VAL 14 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1aje n GLY 15 N 3.13 2.95 0.00 2.92 0.00 -1.08 -4.93 105.19 108.18 1aje n GLY 15 Ca -0.12 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1aje n GLY 15 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1aje n LYS 16 N 0.00 0.00 -0.08 1.61 0.00 -1.24 -3.69 118.16 114.76 1aje n LYS 16 Ca 0.00 0.12 -0.05 0.00 -0.00 0.00 0.00 58.31 58.38 1aje n LYS 16 Cb 0.00 -1.55 -0.04 0.00 -0.00 0.00 0.00 35.03 33.44 1aje n LYS 16 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1aje h THR 17 N 0.00 0.00 -1.15 0.58 2.02 -1.91 0.24 112.91 112.68 1aje h THR 17 Ca 0.00 0.00 0.33 0.00 0.77 0.00 0.00 66.41 67.51 1aje h THR 17 Cb 0.09 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.46 1aje h THR 17 CO 0.00 0.00 0.96 0.00 0.37 0.00 0.00 175.52 176.85 1aje h LEU 19 N 0.00 -0.04 -0.92 0.00 7.12 -0.80 -2.62 115.31 118.06 1aje h LEU 19 Ca 0.55 0.00 0.32 0.00 0.13 0.00 0.00 57.88 58.88 1aje h LEU 19 Cb 2.46 0.01 -0.17 0.00 -0.53 0.00 0.00 40.66 42.43 1aje h LEU 19 CO -0.01 -0.03 0.26 0.18 -0.13 0.00 0.00 178.44 178.72 1aje n LEU 20 N -2.13 0.11 0.03 2.25 4.32 0.06 0.13 117.00 121.77 1aje n LEU 20 Ca -0.01 1.55 -0.07 0.00 -0.02 0.00 0.00 56.01 57.46 1aje n LEU 20 Cb 0.02 -0.66 -0.04 0.00 -1.62 0.00 0.00 43.42 41.11 1aje n LEU 20 CO 0.01 -1.65 0.50 0.40 -1.22 0.00 0.00 177.39 175.44 1aje h ILE 21 N 0.00 0.00 0.00 -0.08 1.08 -1.05 -1.37 117.51 116.09 1aje h ILE 21 Ca 0.67 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 65.07 1aje h ILE 21 Cb 1.62 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.36 1aje h ILE 21 CO -0.79 0.00 -0.34 0.28 -0.69 0.00 0.00 178.15 176.61 1aje h SER 22 N -0.31 0.00 -0.27 1.72 0.02 -0.83 1.70 113.55 115.58 1aje h SER 22 Ca 0.00 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.03 1aje h SER 22 Cb 0.32 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1aje h SER 22 CO -0.15 0.34 0.36 0.22 -1.14 0.00 0.00 176.83 176.46 1aje h TYR 23 N 0.00 0.00 0.00 3.45 3.20 0.72 1.43 116.97 125.77 1aje h TYR 23 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1aje h TYR 23 Cb 0.73 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.00 1aje h TYR 23 CO 0.00 0.00 -0.83 0.25 -1.64 0.00 0.00 178.16 175.94 1aje n THR 24 N -3.57 0.00 0.96 1.81 -2.24 -0.66 -4.73 114.28 105.85 1aje n THR 24 Ca 0.04 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.92 1aje n THR 24 Cb 0.50 -0.52 -0.05 0.00 -2.10 0.00 0.00 70.33 68.15 1aje n THR 24 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1aje n THR 25 N -2.17 0.00 -1.63 4.28 -2.24 0.57 -4.93 114.28 108.16 1aje n THR 25 Ca 0.00 -0.17 -0.04 0.00 -2.27 0.00 0.00 64.05 61.57 1aje n THR 25 Cb 0.41 1.15 -0.01 0.00 -2.10 0.00 0.00 70.33 69.78 1aje n THR 25 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1aje n ASN 26 N -0.61 -1.31 -3.26 3.42 5.15 0.49 -4.78 115.26 114.36 1aje n ASN 26 Ca 0.07 0.21 -0.05 0.00 -0.60 0.00 0.00 54.58 54.21 1aje n ASN 26 Cb 0.40 -1.43 -0.04 0.00 -0.53 0.00 0.00 39.78 38.18 1aje n ASN 26 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1aje s LYS 27 N -3.33 0.48 0.19 1.20 2.20 -1.26 -4.78 119.74 114.43 1aje s LYS 27 Ca 0.00 0.21 -0.06 0.00 -0.36 0.00 0.00 55.97 55.76 1aje s LYS 27 Cb 0.00 -0.15 -0.06 0.00 -1.51 0.00 0.00 37.83 36.11 1aje s LYS 27 CO 0.00 -1.05 0.44 -0.59 -0.36 0.00 0.00 175.35 173.79 1aje s PHE 28 N 2.57 3.46 -0.39 4.03 -0.71 -1.26 -4.65 117.98 121.03 1aje s PHE 28 Ca 0.10 0.65 -0.04 0.00 -1.04 0.00 0.00 56.93 56.60 1aje s PHE 28 Cb -0.12 -2.08 0.04 0.00 -1.21 0.00 0.00 43.02 39.65 1aje s PHE 28 CO -0.28 0.36 2.79 -0.35 -1.34 0.00 0.00 175.22 176.40 1aje n PRO 29 N -0.12 2.30 0.00 1.99 -0.04 -1.26 -4.91 135.00 132.96 1aje n PRO 29 Ca -0.02 -2.12 0.00 0.00 -0.04 0.00 0.00 63.50 61.32 1aje n PRO 29 Cb 0.52 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 1aje n PRO 29 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1aje n SER 30 N 1.00 0.00 -2.39 3.54 3.41 -1.26 -3.27 113.62 114.64 1aje n SER 30 Ca 0.46 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.77 1aje n SER 30 Cb 0.59 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.57 1aje n SER 30 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1aje n GLU 31 N 0.00 3.23 -1.15 4.33 -0.58 -1.26 -5.01 120.64 120.20 1aje n GLU 31 Ca 0.00 -4.00 0.00 0.00 -0.42 0.00 0.00 57.16 52.74 1aje n GLU 31 Cb 0.00 -2.27 0.00 0.00 -0.57 0.00 0.00 31.44 28.60 1aje n GLU 31 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 1aje n TYR 32 N -0.64 0.00 -4.10 -0.32 9.36 -1.20 -4.95 117.16 115.30 1aje n TYR 32 Ca 0.48 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 61.43 1aje n TYR 32 Cb 0.68 -0.38 -0.06 0.00 -0.63 0.00 0.00 39.34 38.94 1aje n TYR 32 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 1aje s VAL 33 N -0.43 4.32 -0.81 2.97 -7.23 -1.26 -4.97 120.40 112.99 1aje s VAL 33 Ca 0.00 -1.11 -0.25 0.00 -1.81 0.00 0.00 61.98 58.81 1aje s VAL 33 Cb 0.00 -3.18 -0.03 0.00 0.56 0.00 0.00 36.38 33.73 1aje s VAL 33 CO 0.00 -0.07 1.84 -2.16 -0.31 0.00 0.00 175.10 174.40 1aje s PRO 34 N -2.95 2.70 -0.14 4.82 0.04 -1.26 -4.74 135.00 133.47 1aje s PRO 34 Ca 0.30 -0.07 0.05 0.00 0.04 0.00 0.00 61.00 61.32 1aje s PRO 34 Cb -0.10 -4.83 -0.23 0.00 0.04 0.00 0.00 34.50 29.38 1aje s PRO 34 CO 0.22 -3.01 0.26 2.41 0.04 0.00 0.00 177.00 176.92 1aje n THR 35 N 7.51 1.60 -3.61 1.26 -1.04 -1.26 -5.06 114.28 113.67 1aje n THR 35 Ca 0.31 -0.72 0.04 0.00 -2.04 0.00 0.00 64.05 61.65 1aje n THR 35 Cb 0.49 -1.23 0.00 0.00 -1.82 0.00 0.00 70.33 67.78 1aje n THR 35 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1aje s VAL 36 N -2.55 0.00 -0.33 12.58 0.11 -1.26 -5.13 120.40 123.83 1aje s VAL 36 Ca -0.18 -0.02 -0.00 0.00 -2.93 0.00 0.00 61.98 58.85 1aje s VAL 36 Cb 0.07 -2.12 0.13 0.00 -1.53 0.00 0.00 36.38 32.94 1aje s VAL 36 CO 0.76 0.00 0.24 0.12 -3.33 0.00 0.00 175.10 172.89 1aje s PHE 37 N -2.04 0.20 0.02 1.54 5.36 -1.26 -5.12 117.98 116.68 1aje s PHE 37 Ca 0.17 -1.02 -0.28 0.00 -0.96 0.00 0.00 56.93 54.84 1aje s PHE 37 Cb 0.07 -0.72 0.10 0.00 -0.34 0.00 0.00 43.02 42.12 1aje s PHE 37 CO -0.06 -0.88 1.24 0.34 -1.46 0.00 0.00 175.22 174.40 1aje s ASP 38 N 1.63 -0.01 0.72 6.13 -1.08 -1.26 -5.14 116.67 117.65 1aje s ASP 38 Ca 0.14 -0.27 -0.16 0.00 -0.52 0.00 0.00 52.55 51.74 1aje s ASP 38 Cb -0.18 0.21 -0.04 0.00 -1.46 0.00 0.00 42.92 41.45 1aje s ASP 38 CO -0.15 -0.42 0.53 0.59 0.52 0.00 0.00 175.17 176.24 1aje n ASN 39 N -0.93 -1.18 -3.15 -0.34 4.13 -1.26 -5.00 115.26 107.54 1aje n ASN 39 Ca -0.01 0.60 0.04 0.00 1.68 0.00 0.00 54.58 56.89 1aje n ASN 39 Cb 0.60 -1.22 -0.00 0.00 -1.54 0.00 0.00 39.78 37.62 1aje n ASN 39 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1aje s TYR 40 N -1.90 -1.44 -0.22 3.10 6.14 -1.26 -5.07 117.35 116.69 1aje s TYR 40 Ca 0.66 0.94 0.02 0.00 0.64 0.00 0.00 57.07 59.32 1aje s TYR 40 Cb -0.35 0.28 0.05 0.00 0.42 0.00 0.00 41.96 42.36 1aje s TYR 40 CO 0.58 -0.83 -0.10 0.00 0.64 0.00 0.00 175.55 175.83 1aje s ALA 41 N 2.87 2.20 0.61 3.97 0.00 -1.24 -2.42 121.76 127.75 1aje s ALA 41 Ca 0.15 -1.42 -0.00 0.00 0.00 0.00 0.00 51.96 50.69 1aje s ALA 41 Cb -0.09 -1.40 0.06 0.00 0.00 0.00 0.00 23.12 21.69 1aje s ALA 41 CO -0.24 -0.98 0.86 0.14 0.00 0.00 0.00 175.76 175.55 1aje s VAL 42 N 1.29 2.48 -0.15 0.00 -7.23 -0.70 -4.56 120.40 111.54 1aje s VAL 42 Ca -0.04 -0.59 -0.03 0.00 -1.81 0.00 0.00 61.98 59.51 1aje s VAL 42 Cb -0.18 -2.88 -0.02 0.00 0.56 0.00 0.00 36.38 33.86 1aje s VAL 42 CO -0.07 0.00 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.76 1aje s THR 43 N -2.92 3.61 0.50 5.32 2.01 -1.26 0.38 115.64 123.27 1aje s THR 43 Ca 0.60 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 62.17 1aje s THR 43 Cb -0.09 -2.57 -0.01 0.00 0.01 0.00 0.00 72.50 69.84 1aje s THR 43 CO 0.41 0.50 0.08 0.68 -0.69 0.00 0.00 174.62 175.59 1aje s VAL 44 N 0.45 1.39 -0.14 3.82 -7.23 -1.03 -4.89 120.40 112.77 1aje s VAL 44 Ca -0.05 -1.90 -0.01 0.00 -1.81 0.00 0.00 61.98 58.21 1aje s VAL 44 Cb -0.15 -2.29 0.03 0.00 0.56 0.00 0.00 36.38 34.54 1aje s VAL 44 CO 0.03 0.00 -0.06 -0.04 -0.31 0.00 0.00 175.10 174.73 1aje s MET 45 N -3.93 1.43 -0.06 4.82 -1.94 -1.26 -0.94 119.30 117.43 1aje s MET 45 Ca 0.15 -0.38 -0.12 0.00 -1.71 0.00 0.00 55.69 53.63 1aje s MET 45 Cb 0.02 -1.80 -0.08 0.00 2.01 0.00 0.00 34.83 34.98 1aje s MET 45 CO 0.09 -0.36 0.50 0.82 -0.01 0.00 0.00 175.02 176.05 1aje h ILE 46 N 6.29 0.18 -0.02 2.53 5.03 -1.86 -3.43 117.51 126.23 1aje h ILE 46 Ca -0.26 -0.84 -0.16 0.00 -0.12 0.00 0.00 64.86 63.48 1aje h ILE 46 Cb 1.12 0.31 -0.23 0.00 -3.03 0.00 0.00 36.82 34.99 1aje h ILE 46 CO 0.40 0.05 -0.59 0.61 -0.68 0.00 0.00 178.15 177.94 1aje n GLY 47 N 0.84 0.86 0.00 5.37 0.00 -1.26 -4.93 105.19 106.07 1aje n GLY 47 Ca -0.05 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1aje n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aje n GLY 48 N 0.02 0.62 3.09 -0.02 0.00 -1.26 -5.12 105.19 102.52 1aje n GLY 48 Ca -0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 1aje n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aje s GLU 49 N 0.00 1.67 -0.15 1.61 8.01 -1.26 -4.90 118.70 123.67 1aje s GLU 49 Ca 0.00 -0.53 -0.20 0.00 0.01 0.00 0.00 54.97 54.25 1aje s GLU 49 Cb 0.00 -1.44 -0.03 0.00 -4.31 0.00 0.00 34.13 28.35 1aje s GLU 49 CO 0.00 0.18 0.57 -1.25 0.01 0.00 0.00 175.26 174.77 1aje s PRO 50 N 0.18 4.28 -0.21 0.39 0.04 -1.25 -2.53 135.00 135.90 1aje s PRO 50 Ca -0.06 0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.54 1aje s PRO 50 Cb -0.12 -3.51 0.05 0.00 0.04 0.00 0.00 34.50 30.96 1aje s PRO 50 CO 0.02 -0.05 -0.05 0.71 0.04 0.00 0.00 177.00 177.67 1aje s TYR 51 N 1.29 2.08 0.35 0.56 2.02 -0.11 -3.63 117.35 119.91 1aje s TYR 51 Ca 0.28 -1.47 -0.27 0.00 -0.37 0.00 0.00 57.07 55.24 1aje s TYR 51 Cb -0.16 -1.46 -0.09 0.00 -0.40 0.00 0.00 41.96 39.85 1aje s TYR 51 CO 0.11 -0.71 1.11 0.99 -1.57 0.00 0.00 175.55 175.48 1aje s THR 52 N 1.50 3.45 -0.14 -0.71 2.01 -1.25 -2.46 115.64 118.05 1aje s THR 52 Ca -0.03 1.29 0.02 0.00 0.31 0.00 0.00 61.69 63.27 1aje s THR 52 Cb -0.17 -3.75 0.01 0.00 0.01 0.00 0.00 72.50 68.60 1aje s THR 52 CO -0.07 0.17 -0.19 -1.48 -0.69 0.00 0.00 174.62 172.37 1aje s LEU 53 N -2.10 1.93 -0.44 4.42 0.05 0.16 0.21 118.68 122.91 1aje s LEU 53 Ca 0.52 -0.54 -0.10 0.00 0.05 0.00 0.00 54.13 54.06 1aje s LEU 53 Cb -0.29 -1.30 0.09 0.00 -2.05 0.00 0.00 46.19 42.64 1aje s LEU 53 CO 0.36 0.03 0.30 -0.83 -0.55 0.00 0.00 176.35 175.66 1aje s GLY 54 N 1.01 1.99 0.14 -3.48 0.00 0.31 -1.71 107.32 105.57 1aje s GLY 54 Ca -0.04 -2.23 -0.28 0.00 0.00 0.00 0.00 44.72 42.17 1aje s GLY 54 CO -0.04 1.01 0.86 -2.27 0.00 0.00 0.00 173.10 172.66 1aje s LEU 55 N 1.44 4.54 -0.07 0.66 2.96 -1.01 0.21 118.68 127.41 1aje s LEU 55 Ca 0.04 1.71 0.03 0.00 -0.22 0.00 0.00 54.13 55.68 1aje s LEU 55 Cb -0.24 -3.43 0.01 0.00 0.50 0.00 0.00 46.19 43.03 1aje s LEU 55 CO 0.02 0.07 -0.15 0.12 -1.32 0.00 0.00 176.35 175.09 1aje s PHE 56 N -0.54 1.68 0.04 5.38 2.19 0.14 -4.47 117.98 122.40 1aje s PHE 56 Ca 0.41 -0.62 -0.17 0.00 0.33 0.00 0.00 56.93 56.88 1aje s PHE 56 Cb -0.23 -1.19 -0.06 0.00 -1.31 0.00 0.00 43.02 40.22 1aje s PHE 56 CO 0.28 -0.29 0.49 -0.51 1.83 0.00 0.00 175.22 177.02 1aje s ASP 57 N 0.52 6.93 0.67 6.13 1.11 -1.26 -2.29 116.67 128.48 1aje s ASP 57 Ca -0.14 1.11 -0.03 0.00 0.18 0.00 0.00 52.55 53.68 1aje s ASP 57 Cb -0.16 -2.30 0.08 0.00 1.07 0.00 0.00 42.92 41.61 1aje s ASP 57 CO 0.05 0.29 0.94 0.42 1.18 0.00 0.00 175.17 178.04 1aje s THR 58 N -1.12 2.36 0.00 -1.27 -4.23 -1.26 -4.96 115.64 105.16 1aje s THR 58 Ca 0.27 -0.49 0.00 0.00 -1.18 0.00 0.00 61.69 60.29 1aje s THR 58 Cb -0.18 -2.86 0.00 0.00 1.34 0.00 0.00 72.50 70.80 1aje s THR 58 CO 0.16 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.24 1aje n ALA 59 N -2.74 0.00 -2.21 3.99 0.00 -1.26 -5.11 120.51 113.19 1aje n ALA 59 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1aje n ALA 59 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1aje n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aje n GLY 60 N 5.00 0.74 0.00 0.00 0.00 -1.26 -4.87 105.19 104.80 1aje n GLY 60 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1aje n GLY 60 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1aje n GLN 61 N 0.00 0.03 0.00 1.61 7.27 -1.26 -4.47 117.38 120.56 1aje n GLN 61 Ca 0.00 0.16 0.00 0.00 0.07 0.00 0.00 57.00 57.23 1aje n GLN 61 Cb 0.00 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.15 1aje n GLN 61 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1aje n GLU 62 N -1.47 0.00 -1.36 3.69 1.02 -1.26 -4.54 120.64 116.72 1aje n GLU 62 Ca 0.05 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.07 1aje n GLU 62 Cb 0.22 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.59 1aje n GLU 62 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1aje n ASP 63 N -1.61 -3.27 -3.98 1.62 2.03 -1.26 -4.72 116.55 105.35 1aje n ASP 63 Ca 0.00 0.31 -0.43 0.00 0.52 0.00 0.00 54.79 55.18 1aje n ASP 63 Cb 0.00 -3.08 -0.13 0.00 -0.72 0.00 0.00 41.12 37.19 1aje n ASP 63 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1aje n TYR 64 N -1.82 0.71 -3.08 -0.67 4.19 -1.26 -2.53 117.16 112.70 1aje n TYR 64 Ca -0.12 0.47 -0.27 0.00 3.31 0.00 0.00 57.90 61.29 1aje n TYR 64 Cb 0.41 -2.12 0.02 0.00 0.49 0.00 0.00 39.34 38.14 1aje n TYR 64 CO 0.00 0.00 0.00 -3.47 0.91 0.00 0.00 176.86 174.30 1aje n ASP 65 N 8.48 -4.01 -1.56 2.98 2.03 -1.26 -4.39 116.55 118.82 1aje n ASP 65 Ca 0.56 -0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.57 1aje n ASP 65 Cb 0.00 -1.21 0.00 0.00 -0.72 0.00 0.00 41.12 39.19 1aje n ASP 65 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1aje n ARG 66 N -0.69 -4.38 0.27 -0.67 1.74 -1.05 -4.63 116.66 107.24 1aje n ARG 66 Ca -0.12 3.19 0.12 0.00 -0.77 0.00 0.00 57.85 60.27 1aje n ARG 66 Cb 0.53 -3.53 0.77 0.00 -1.02 0.00 0.00 32.46 29.21 1aje n ARG 66 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1aje h LEU 67 N 2.32 0.00-10.19 0.55 3.38 -1.79 -3.43 115.31 106.15 1aje h LEU 67 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1aje h LEU 67 Cb 0.00 0.00 0.16 0.00 0.09 0.00 0.00 40.66 40.91 1aje h LEU 67 CO 0.00 0.00 0.38 -0.13 0.09 0.00 0.00 178.44 178.78 1aje s ARG 68 N -4.86 2.02 0.67 1.13 1.81 -1.26 -4.99 118.95 113.47 1aje s ARG 68 Ca -0.05 1.73 -0.12 0.00 -1.72 0.00 0.00 55.73 55.58 1aje s ARG 68 Cb 0.16 -1.82 -0.00 0.00 -0.45 0.00 0.00 34.95 32.84 1aje s ARG 68 CO 0.61 -1.92 1.06 -1.25 -0.68 0.00 0.00 175.30 173.12 1aje s PRO 69 N -4.01 3.06 0.44 3.54 0.04 -1.26 -4.95 135.00 131.86 1aje s PRO 69 Ca 0.73 0.98 0.19 0.00 0.04 0.00 0.00 61.00 62.95 1aje s PRO 69 Cb -0.28 -2.00 1.03 0.00 0.04 0.00 0.00 34.50 33.28 1aje s PRO 69 CO 0.47 -1.01 1.93 -0.07 0.04 0.00 0.00 177.00 178.36 1aje h LEU 70 N -0.48 0.00 0.00 -3.56 3.38 -1.94 -3.46 115.31 109.25 1aje h LEU 70 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1aje h LEU 70 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1aje h LEU 70 CO 0.57 0.25 0.00 -1.54 0.09 0.00 0.00 178.44 177.81 1aje n SER 71 N -3.87 0.00 -3.12 -0.43 3.41 -1.26 -5.12 113.62 103.23 1aje n SER 71 Ca -0.02 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.40 1aje n SER 71 Cb 0.34 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.24 1aje n SER 71 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1aje n TYR 72 N 0.00 -1.45 -1.21 7.33 4.02 -1.26 -5.14 117.16 119.45 1aje n TYR 72 Ca 0.00 -2.92 -0.29 0.00 -0.01 0.00 0.00 57.90 54.68 1aje n TYR 72 Cb 0.00 0.37 0.18 0.00 -0.02 0.00 0.00 39.34 39.87 1aje n TYR 72 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1aje s PRO 73 N -0.27 0.37 -0.41 -0.72 0.04 -1.26 -4.94 135.00 127.81 1aje s PRO 73 Ca 0.33 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.81 1aje s PRO 73 Cb 0.13 -1.74 0.37 0.00 0.04 0.00 0.00 34.50 33.30 1aje s PRO 73 CO -0.15 -2.75 1.88 1.04 0.04 0.00 0.00 177.00 177.05 1aje n GLN 74 N -4.18 2.06 -0.53 4.56 6.02 -1.26 -4.92 117.38 119.13 1aje n GLN 74 Ca 0.05 -2.21 0.00 0.00 -0.01 0.00 0.00 57.00 54.83 1aje n GLN 74 Cb 0.58 -1.87 0.00 0.00 1.02 0.00 0.00 30.24 29.97 1aje n GLN 74 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1aje n THR 75 N -0.36 0.00 -2.28 5.09 -2.24 -1.26 -4.98 114.28 108.26 1aje n THR 75 Ca 0.43 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 62.17 1aje n THR 75 Cb 0.88 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 1aje n THR 75 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1aje n ASP 76 N -0.79 -5.33 -2.95 3.42 9.92 0.12 -4.88 116.55 116.06 1aje n ASP 76 Ca 0.00 0.25 -0.12 0.00 -0.53 0.00 0.00 54.79 54.39 1aje n ASP 76 Cb 0.00 -3.46 0.10 0.00 -0.64 0.00 0.00 41.12 37.12 1aje n ASP 76 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1aje n VAL 77 N -0.55 0.00 -3.95 2.53 0.24 0.19 -4.46 118.33 112.32 1aje n VAL 77 Ca 0.06 -0.19 -0.31 0.00 -2.04 0.00 0.00 64.34 61.86 1aje n VAL 77 Cb 0.30 -1.04 -0.15 0.00 -1.47 0.00 0.00 33.84 31.47 1aje n VAL 77 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1aje s PHE 78 N -1.80 2.83 -0.74 6.34 0.08 -0.40 -0.00 117.98 124.30 1aje s PHE 78 Ca 0.29 -2.20 -0.19 0.00 0.12 0.00 0.00 56.93 54.95 1aje s PHE 78 Cb -0.03 -2.04 0.12 0.00 -0.57 0.00 0.00 43.02 40.51 1aje s PHE 78 CO 0.23 -0.86 0.87 -0.51 -0.10 0.00 0.00 175.22 174.85 1aje s LEU 79 N 1.24 5.37 -0.36 -0.37 2.01 0.83 -0.81 118.68 126.59 1aje s LEU 79 Ca 0.01 -1.75 -0.27 0.00 0.01 0.00 0.00 54.13 52.12 1aje s LEU 79 Cb -0.19 -2.33 0.02 0.00 0.01 0.00 0.00 46.19 43.70 1aje s LEU 79 CO -0.09 -1.06 1.01 -0.69 1.01 0.00 0.00 176.35 176.52 1aje s VAL 80 N 2.49 4.51 -0.18 -1.59 1.01 -0.82 -1.76 120.40 124.05 1aje s VAL 80 Ca 0.20 1.40 -0.29 0.00 0.00 0.00 0.00 61.98 63.29 1aje s VAL 80 Cb -0.15 -4.40 -0.01 0.00 0.00 0.00 0.00 36.38 31.82 1aje s VAL 80 CO -0.00 -0.57 1.31 0.00 0.00 0.00 0.00 175.10 175.84 1aje s PHE 82 N 3.75 3.42 -0.27 0.00 2.19 0.25 -4.63 117.98 122.69 1aje s PHE 82 Ca 0.57 1.10 0.01 0.00 0.33 0.00 0.00 56.93 58.94 1aje s PHE 82 Cb -0.22 -2.46 0.06 0.00 -1.31 0.00 0.00 43.02 39.09 1aje s PHE 82 CO 0.18 0.03 -0.08 0.45 1.83 0.00 0.00 175.22 177.63 1aje s SER 83 N -2.68 4.57 0.00 6.13 0.15 -1.26 0.16 113.70 120.77 1aje s SER 83 Ca 0.52 -1.34 0.15 0.00 0.70 0.00 0.00 55.95 55.99 1aje s SER 83 Cb -0.10 -1.60 0.17 0.00 -1.71 0.00 0.00 66.02 62.77 1aje s SER 83 CO 0.24 -0.21 1.04 0.52 1.20 0.00 0.00 173.24 176.03 1aje n VAL 84 N 4.50 0.14 0.92 4.45 0.31 -1.24 -2.52 118.33 124.89 1aje n VAL 84 Ca -0.14 -0.57 0.12 0.00 -0.01 0.00 0.00 64.34 63.74 1aje n VAL 84 Cb 0.43 1.21 0.21 0.00 -0.91 0.00 0.00 33.84 34.77 1aje n VAL 84 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1aje n VAL 85 N 0.88 0.05 -4.45 2.52 0.31 -1.26 -2.72 118.33 113.66 1aje n VAL 85 Ca 0.10 -0.05 -0.22 0.00 -0.01 0.00 0.00 64.34 64.16 1aje n VAL 85 Cb 0.40 0.23 -0.10 0.00 -0.91 0.00 0.00 33.84 33.46 1aje n VAL 85 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1aje s SER 86 N -3.21 2.92 -0.32 4.52 0.01 -1.26 -4.45 113.70 111.91 1aje s SER 86 Ca 0.10 -1.19 -0.29 0.00 1.31 0.00 0.00 55.95 55.88 1aje s SER 86 Cb 0.17 -0.20 -0.01 0.00 0.21 0.00 0.00 66.02 66.19 1aje s SER 86 CO 0.72 -0.31 1.50 -2.16 0.41 0.00 0.00 173.24 173.39 1aje s PRO 87 N -3.70 3.68 -1.27 12.44 0.04 -1.26 -3.50 135.00 141.42 1aje s PRO 87 Ca 0.30 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1aje s PRO 87 Cb 0.03 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1aje s PRO 87 CO 0.13 -1.43 0.00 0.45 0.04 0.00 0.00 177.00 176.18 1aje n SER 88 N 8.66 -4.05 -0.08 6.66 2.88 -1.26 -4.82 113.62 121.60 1aje n SER 88 Ca 0.18 0.22 -0.14 0.00 -1.33 0.00 0.00 58.87 57.80 1aje n SER 88 Cb 0.47 -3.53 -0.03 0.00 -0.75 0.00 0.00 64.21 60.38 1aje n SER 88 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1aje h SER 89 N 0.00 0.96 0.00 -3.46 0.02 -1.74 -2.15 113.55 107.18 1aje h SER 89 Ca -0.31 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 60.15 1aje h SER 89 Cb 1.13 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1aje h SER 89 CO 0.40 1.28 0.45 2.19 -1.14 0.00 0.00 176.83 180.01 1aje h PHE 90 N 0.68 0.00 0.07 3.45 -0.00 -1.76 0.44 116.94 119.82 1aje h PHE 90 Ca 0.03 0.00 -0.25 0.00 -0.00 0.00 0.00 57.97 57.74 1aje h PHE 90 Cb 1.10 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.03 1aje h PHE 90 CO 0.07 0.00 -1.20 0.93 -0.00 0.00 0.00 178.31 178.11 1aje h GLU 91 N 0.00 0.16 0.00 6.09 4.39 -1.71 -3.09 114.58 120.42 1aje h GLU 91 Ca 0.00 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1aje h GLU 91 Cb 0.90 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1aje h GLU 91 CO 0.00 1.10 0.00 -2.95 -1.16 0.00 0.00 179.01 176.00 1aje h ASN 92 N 0.04 0.00 0.45 1.42 7.08 -0.99 0.21 115.58 123.80 1aje h ASN 92 Ca -0.11 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.09 1aje h ASN 92 Cb 1.90 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 38.14 1aje h ASN 92 CO 0.17 0.00 -0.11 0.58 -2.08 0.00 0.00 177.43 175.99 1aje h VAL 93 N 0.00 0.46 0.00 6.14 2.07 -1.45 -2.74 116.25 120.73 1aje h VAL 93 Ca 0.00 -0.54 -0.16 0.00 0.82 0.00 0.00 66.70 66.83 1aje h VAL 93 Cb 0.41 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1aje h VAL 93 CO 0.00 0.10 -0.88 0.11 0.02 0.00 0.00 177.57 176.92 1aje h LYS 94 N 0.00 0.00 -0.14 1.57 6.56 -1.07 -2.37 116.57 121.13 1aje h LYS 94 Ca -0.00 0.00 0.04 0.00 -1.06 0.00 0.00 60.65 59.63 1aje h LYS 94 Cb 0.36 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.02 1aje h LYS 94 CO 0.01 0.93 0.30 0.93 -2.06 0.00 0.00 179.45 179.56 1aje h GLU 95 N -1.00 0.00 0.00 3.15 4.39 -1.39 -3.03 114.58 116.70 1aje h GLU 95 Ca -0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1aje h GLU 95 Cb 1.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1aje h GLU 95 CO -0.14 0.00 -0.47 1.17 -1.16 0.00 0.00 179.01 178.40 1aje n LYS 96 N -3.31 1.47 -0.01 2.33 4.81 -1.05 -4.66 118.16 117.75 1aje n LYS 96 Ca 0.01 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.28 1aje n LYS 96 Cb 0.39 -0.74 -0.11 0.00 0.02 0.00 0.00 35.03 34.59 1aje n LYS 96 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 1aje h TRP 97 N 0.00 0.48 -0.48 5.64 4.06 -1.51 -2.33 115.95 121.82 1aje h TRP 97 Ca 0.00 -0.26 -0.12 0.00 2.06 0.00 0.00 58.89 60.57 1aje h TRP 97 Cb 0.47 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.57 1aje h TRP 97 CO 0.00 1.08 -0.16 0.28 -3.56 0.00 0.00 178.44 176.08 1aje h VAL 98 N -0.25 1.27 0.00 1.49 2.07 -1.46 0.13 116.25 119.49 1aje h VAL 98 Ca -0.06 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.15 1aje h VAL 98 Cb 1.21 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1aje h VAL 98 CO 0.09 0.45 0.00 1.55 0.02 0.00 0.00 177.57 179.69 1aje h PRO 99 N 0.81 0.00 0.00 1.57 0.13 -1.67 0.08 132.00 132.92 1aje h PRO 99 Ca 0.12 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.03 1aje h PRO 99 Cb 0.73 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.82 1aje h PRO 99 CO 0.06 0.00 -1.62 0.39 -0.23 0.00 0.00 178.00 176.60 1aje n GLU 100 N -2.80 0.63 -0.03 0.86 1.02 -0.69 -3.82 120.64 115.81 1aje n GLU 100 Ca -0.01 0.20 -0.04 0.00 -0.02 0.00 0.00 57.16 57.30 1aje n GLU 100 Cb 0.18 -1.76 -0.01 0.00 -0.02 0.00 0.00 31.44 29.82 1aje n GLU 100 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1aje n ILE 101 N -2.89 0.85 0.05 -3.67 -5.35 -0.05 -4.37 119.36 103.92 1aje n ILE 101 Ca -0.14 0.28 -0.20 0.00 -0.27 0.00 0.00 62.75 62.41 1aje n ILE 101 Cb 0.92 -1.84 -0.15 0.00 -1.74 0.00 0.00 39.64 36.83 1aje n ILE 101 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1aje h THR 102 N -0.45 1.44 -0.05 7.28 1.35 -0.98 1.56 112.91 123.06 1aje h THR 102 Ca 0.00 -2.53 0.02 0.00 -0.55 0.00 0.00 66.41 63.35 1aje h THR 102 Cb 0.45 3.13 -0.00 0.00 -1.73 0.00 0.00 68.15 70.00 1aje h THR 102 CO 0.00 0.72 0.08 0.45 -0.25 0.00 0.00 175.52 176.52 1aje h HIS 103 N -0.35 0.00 0.00 4.73 3.86 -1.54 -3.22 115.15 118.63 1aje h HIS 103 Ca -0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 1aje h HIS 103 Cb 1.68 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.15 1aje h HIS 103 CO 0.19 0.00 -0.01 0.72 0.86 0.00 0.00 177.93 179.68 1aje n HIS 104 N -3.57 0.02 0.17 2.45 8.25 -1.13 -5.02 115.22 116.39 1aje n HIS 104 Ca -0.02 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1aje n HIS 104 Cb 0.17 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.04 1aje n HIS 104 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1aje n PRO 106 N -3.37 0.01 0.02 0.00 -0.04 0.90 -4.47 135.00 128.05 1aje n PRO 106 Ca 0.00 -0.92 0.11 0.00 -0.04 0.00 0.00 63.50 62.65 1aje n PRO 106 Cb 0.00 -2.41 -0.07 0.00 -0.04 0.00 0.00 33.50 30.98 1aje n PRO 106 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1aje n LYS 107 N 7.48 0.44 0.00 0.54 5.02 -1.26 -3.17 118.16 127.20 1aje n LYS 107 Ca 0.41 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 1aje n LYS 107 Cb 0.40 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1aje n LYS 107 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1aje n THR 108 N -2.11 0.00 -1.93 -0.18 -1.04 -1.26 -4.70 114.28 103.05 1aje n THR 108 Ca -0.00 0.11 -0.39 0.00 -2.04 0.00 0.00 64.05 61.72 1aje n THR 108 Cb 0.49 -0.56 -0.03 0.00 -1.82 0.00 0.00 70.33 68.41 1aje n THR 108 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1aje s PRO 109 N -0.22 2.74 -0.24 -2.82 0.04 -1.26 -4.63 135.00 128.60 1aje s PRO 109 Ca 0.00 1.03 -0.01 0.00 0.04 0.00 0.00 61.00 62.05 1aje s PRO 109 Cb 0.00 -4.37 0.07 0.00 0.04 0.00 0.00 34.50 30.24 1aje s PRO 109 CO 0.00 -2.58 0.03 0.12 0.04 0.00 0.00 177.00 174.61 1aje s PHE 110 N 9.04 1.64 -0.21 0.56 2.19 -1.26 -1.27 117.98 128.67 1aje s PHE 110 Ca 0.77 -1.38 0.01 0.00 0.33 0.00 0.00 56.93 56.66 1aje s PHE 110 Cb -0.17 -1.40 0.03 0.00 -1.31 0.00 0.00 43.02 40.17 1aje s PHE 110 CO 0.26 -0.74 -0.15 -0.51 1.83 0.00 0.00 175.22 175.91 1aje s LEU 111 N 1.65 2.60 -0.62 6.12 1.43 0.01 0.31 118.68 130.19 1aje s LEU 111 Ca 0.01 -0.84 -0.24 0.00 -1.03 0.00 0.00 54.13 52.02 1aje s LEU 111 Cb -0.18 -1.53 0.05 0.00 0.03 0.00 0.00 46.19 44.56 1aje s LEU 111 CO -0.12 -0.06 1.02 -0.22 0.23 0.00 0.00 176.35 177.20 1aje s LEU 112 N 1.26 4.00 -0.18 1.79 2.96 0.50 -1.95 118.68 127.06 1aje s LEU 112 Ca 0.01 -0.56 -0.01 0.00 -0.22 0.00 0.00 54.13 53.35 1aje s LEU 112 Cb -0.15 -2.67 -0.00 0.00 0.50 0.00 0.00 46.19 43.87 1aje s LEU 112 CO -0.10 -1.42 -0.11 -0.69 -1.32 0.00 0.00 176.35 172.71 1aje s VAL 113 N 4.35 2.93 0.36 1.68 1.01 -1.08 -0.33 120.40 129.32 1aje s VAL 113 Ca 0.29 -0.67 -0.28 0.00 0.00 0.00 0.00 61.98 61.32 1aje s VAL 113 Cb -0.13 -2.27 -0.11 0.00 0.00 0.00 0.00 36.38 33.87 1aje s VAL 113 CO 0.16 0.49 1.51 -0.83 0.00 0.00 0.00 175.10 176.43 1aje s GLY 114 N 1.03 2.78 0.27 4.51 0.00 0.17 0.85 107.32 116.93 1aje s GLY 114 Ca -0.01 1.59 0.08 0.00 0.00 0.00 0.00 44.72 46.38 1aje s GLY 114 CO -0.02 2.33 0.15 -1.08 0.00 0.00 0.00 173.10 174.48 1aje s THR 115 N -0.91 3.94 -0.62 0.90 -1.32 0.43 -3.84 115.64 114.21 1aje s THR 115 Ca 0.55 -1.57 -0.14 0.00 -1.21 0.00 0.00 61.69 59.32 1aje s THR 115 Cb -0.47 -3.18 0.02 0.00 -1.51 0.00 0.00 72.50 67.35 1aje s THR 115 CO 0.61 -0.32 0.37 0.00 -2.21 0.00 0.00 174.62 173.06 1aje n GLN 116 N -1.12 -0.66 0.03 7.08 3.00 -1.26 -3.72 117.38 120.73 1aje n GLN 116 Ca -0.06 -0.01 0.13 0.00 -0.01 0.00 0.00 57.00 57.05 1aje n GLN 116 Cb 0.59 -1.05 0.36 0.00 0.00 0.00 0.00 30.24 30.14 1aje n GLN 116 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1aje n ILE 117 N -2.80 0.20 0.14 5.09 5.41 -1.26 -2.54 119.36 123.60 1aje n ILE 117 Ca -0.10 -0.12 0.03 0.00 1.00 0.00 0.00 62.75 63.56 1aje n ILE 117 Cb 0.34 -0.21 0.03 0.00 -0.71 0.00 0.00 39.64 39.10 1aje n ILE 117 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1aje h ASP 118 N 0.00 0.00 0.34 4.38 1.82 -1.87 -3.04 116.42 118.06 1aje h ASP 118 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1aje h ASP 118 Cb 0.60 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.61 1aje h ASP 118 CO 0.00 0.46 -1.14 0.18 -1.61 0.00 0.00 179.24 177.13 1aje n LEU 119 N -3.21 0.59 0.31 2.28 7.99 -1.21 -3.57 117.00 120.17 1aje n LEU 119 Ca 0.02 -0.06 0.19 0.00 -0.01 0.00 0.00 56.01 56.15 1aje n LEU 119 Cb 0.72 -0.07 1.05 0.00 -0.11 0.00 0.00 43.42 45.01 1aje n LEU 119 CO 0.40 0.06 1.16 -0.09 -1.51 0.00 0.00 177.39 177.40 1aje h ARG 120 N 0.00 0.00 0.00 3.23 1.12 -1.37 0.86 114.38 118.23 1aje h ARG 120 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1aje h ARG 120 Cb 0.74 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.70 1aje h ARG 120 CO 0.00 0.00 -0.89 -3.47 -3.11 0.00 0.00 179.97 172.50 1aje n ASP 121 N -3.45 0.70 -4.77 -3.80 2.03 -1.23 -4.77 116.55 101.26 1aje n ASP 121 Ca -0.03 -0.51 -0.24 0.00 0.52 0.00 0.00 54.79 54.54 1aje n ASP 121 Cb 0.11 0.74 -0.05 0.00 -0.72 0.00 0.00 41.12 41.19 1aje n ASP 121 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1aje s ASP 122 N -3.32 5.28 0.00 1.67 1.11 0.30 -4.97 116.67 116.74 1aje s ASP 122 Ca 0.07 -0.30 0.10 0.00 0.18 0.00 0.00 52.55 52.60 1aje s ASP 122 Cb 0.16 -1.28 0.50 0.00 1.07 0.00 0.00 42.92 43.37 1aje s ASP 122 CO 0.80 0.01 1.25 -0.81 1.18 0.00 0.00 175.17 177.59 1aje n PRO 123 N -0.82 0.11 -0.32 8.23 -0.04 -1.26 -3.63 135.00 137.26 1aje n PRO 123 Ca -0.08 0.23 0.08 0.00 -0.04 0.00 0.00 63.50 63.68 1aje n PRO 123 Cb 0.57 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.71 1aje n PRO 123 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1aje h SER 124 N 0.00 -0.65 1.16 3.54 0.87 -1.94 0.55 113.55 117.07 1aje h SER 124 Ca 0.00 0.26 -0.16 0.00 -1.23 0.00 0.00 61.79 60.66 1aje h SER 124 Cb 0.12 0.51 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 1aje h SER 124 CO 0.00 -0.30 -0.87 0.00 -0.53 0.00 0.00 176.83 175.13 1aje h THR 125 N 0.02 1.11 0.01 2.23 1.03 -1.74 -3.35 112.91 112.22 1aje h THR 125 Ca 0.48 -2.64 0.03 0.00 -0.01 0.00 0.00 66.41 64.27 1aje h THR 125 Cb 0.85 2.52 -0.05 0.00 -1.07 0.00 0.00 68.15 70.40 1aje h THR 125 CO -0.89 0.64 -0.36 0.40 -0.01 0.00 0.00 175.52 175.29 1aje h ILE 126 N 0.00 0.24 -0.95 0.00 1.08 -0.10 -0.15 117.51 117.63 1aje h ILE 126 Ca -0.05 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.52 1aje h ILE 126 Cb 1.59 0.24 -0.07 0.00 -3.07 0.00 0.00 36.82 35.51 1aje h ILE 126 CO 0.09 0.00 0.61 -0.08 -0.69 0.00 0.00 178.15 178.08 1aje h GLU 127 N -0.52 0.97 -1.12 2.37 4.22 -1.64 1.35 114.58 120.21 1aje h GLU 127 Ca 0.05 -0.06 0.32 0.00 0.08 0.00 0.00 59.36 59.76 1aje h GLU 127 Cb 0.60 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1aje h GLU 127 CO -0.28 0.64 0.81 -0.22 -2.18 0.00 0.00 179.01 177.78 1aje h LYS 128 N 1.00 0.01 0.00 1.92 1.63 -1.17 -3.39 116.57 116.57 1aje h LYS 128 Ca 0.44 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.24 1aje h LYS 128 Cb 0.35 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1aje h LYS 128 CO -0.19 0.01 0.00 1.28 -3.45 0.00 0.00 179.45 177.09 1aje n LEU 129 N -4.21 0.00 -1.70 5.20 4.77 0.15 -5.03 117.00 116.18 1aje n LEU 129 Ca 0.24 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 56.04 1aje n LEU 129 Cb 1.18 0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 42.23 1aje n LEU 129 CO 0.40 -0.11 -0.20 0.00 -1.33 0.00 0.00 177.39 176.15 1aje n ALA 130 N -1.34 -0.40 0.58 -1.18 0.00 0.42 -4.81 120.51 113.78 1aje n ALA 130 Ca 0.00 0.22 0.13 0.00 0.00 0.00 0.00 53.44 53.79 1aje n ALA 130 Cb 0.00 -1.89 0.35 0.00 0.00 0.00 0.00 19.45 17.90 1aje n ALA 130 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1aje h LYS 131 N 0.00 0.00 -0.32 0.00 6.56 -1.91 -2.93 116.57 117.97 1aje h LYS 131 Ca -0.39 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.20 1aje h LYS 131 Cb 1.24 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.90 1aje h LYS 131 CO 0.52 0.00 0.00 0.09 -2.06 0.00 0.00 179.45 178.00 1aje n ASN 132 N -2.33 2.86 -3.41 0.86 3.02 -1.26 -4.93 115.26 110.07 1aje n ASN 132 Ca 0.05 -1.99 -0.25 0.00 -0.03 0.00 0.00 54.58 52.37 1aje n ASN 132 Cb 0.44 -0.21 0.01 0.00 -0.61 0.00 0.00 39.78 39.41 1aje n ASN 132 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1aje n LYS 133 N 0.46 -4.23 0.00 3.52 5.02 -1.11 -4.46 118.16 117.36 1aje n LYS 133 Ca 0.11 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 1aje n LYS 133 Cb 0.41 -5.39 0.00 0.00 -0.02 0.00 0.00 35.03 30.03 1aje n LYS 133 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1aje n GLN 134 N -4.02 0.00 -1.61 1.97 1.13 -1.26 -5.07 117.38 108.52 1aje n GLN 134 Ca -0.03 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 55.03 1aje n GLN 134 Cb 0.56 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.90 1aje n GLN 134 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1aje n LYS 135 N 0.00 -0.36 -1.84 -1.09 4.76 -1.26 -4.78 118.16 113.59 1aje n LYS 135 Ca 0.00 0.73 -0.21 0.00 -2.87 0.00 0.00 58.31 55.96 1aje n LYS 135 Cb 0.00 -1.39 0.13 0.00 -1.84 0.00 0.00 35.03 31.94 1aje n LYS 135 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1aje n PRO 136 N 0.10 -0.54 -1.67 1.97 -0.04 -1.26 -4.04 135.00 129.51 1aje n PRO 136 Ca -0.02 -1.91 -0.44 0.00 -0.04 0.00 0.00 63.50 61.10 1aje n PRO 136 Cb 0.02 -0.83 -0.03 0.00 -0.04 0.00 0.00 33.50 32.61 1aje n PRO 136 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1aje n ILE 137 N -3.05 0.61 -1.53 0.52 -0.00 -1.10 -4.91 119.36 109.90 1aje n ILE 137 Ca 0.13 -0.11 -0.29 0.00 -0.00 0.00 0.00 62.75 62.48 1aje n ILE 137 Cb 0.47 -2.15 0.17 0.00 -0.00 0.00 0.00 39.64 38.13 1aje n ILE 137 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 1aje s THR 138 N 3.85 1.90 -1.22 1.39 2.01 -1.26 -4.87 115.64 117.44 1aje s THR 138 Ca 0.88 0.00 0.19 0.00 0.31 0.00 0.00 61.69 63.07 1aje s THR 138 Cb -0.51 -2.75 0.25 0.00 0.01 0.00 0.00 72.50 69.50 1aje s THR 138 CO 0.43 0.00 1.60 -0.81 -0.69 0.00 0.00 174.62 175.15 1aje n PRO 139 N -4.01 0.14 -0.00 4.92 -0.04 -1.26 -2.49 135.00 132.26 1aje n PRO 139 Ca 0.10 0.14 0.06 0.00 -0.04 0.00 0.00 63.50 63.76 1aje n PRO 139 Cb 0.59 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.48 1aje n PRO 139 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1aje n GLU 140 N -1.39 1.71 0.23 0.54 1.02 -1.26 -4.31 120.64 117.18 1aje n GLU 140 Ca 0.07 -0.06 -0.11 0.00 -0.02 0.00 0.00 57.16 57.04 1aje n GLU 140 Cb 0.19 -1.16 -0.05 0.00 -0.02 0.00 0.00 31.44 30.39 1aje n GLU 140 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1aje h THR 141 N 0.00 0.11 -0.15 2.62 2.02 -1.83 -1.98 112.91 113.70 1aje h THR 141 Ca 0.00 -0.55 0.04 0.00 0.77 0.00 0.00 66.41 66.67 1aje h THR 141 Cb 0.41 0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 1aje h THR 141 CO 0.00 0.02 -0.11 0.00 0.37 0.00 0.00 175.52 175.80 1aje h ALA 142 N -1.05 0.00 -0.36 6.16 0.00 -1.81 0.22 119.26 122.42 1aje h ALA 142 Ca -0.06 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1aje h ALA 142 Cb 0.53 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1aje h ALA 142 CO 0.11 -0.56 0.29 0.93 0.00 0.00 0.00 179.25 180.01 1aje h GLU 143 N -0.12 0.00 -0.17 0.00 4.39 -1.75 0.54 114.58 117.46 1aje h GLU 143 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1aje h GLU 143 Cb 0.26 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1aje h GLU 143 CO -0.23 0.00 0.11 -0.22 -1.16 0.00 0.00 179.01 177.51 1aje h LYS 144 N 0.00 0.23 0.00 2.33 3.64 0.25 -1.01 116.57 122.00 1aje h LYS 144 Ca 0.17 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 59.32 1aje h LYS 144 Cb 0.74 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 1aje h LYS 144 CO -0.00 0.16 -1.15 1.37 -2.27 0.00 0.00 179.45 177.56 1aje h LEU 145 N 0.22 0.00 -1.41 5.20 8.10 -0.96 -3.00 115.31 123.47 1aje h LEU 145 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.05 1aje h LEU 145 Cb -0.02 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.20 1aje h LEU 145 CO -0.01 0.91 0.00 0.00 -4.11 0.00 0.00 178.44 175.23 1aje h ALA 146 N 1.09 1.00 0.00 0.17 0.00 -0.81 1.27 119.26 121.98 1aje h ALA 146 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1aje h ALA 146 Cb 1.77 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 1aje h ALA 146 CO 0.10 0.00 -0.61 -0.09 0.00 0.00 0.00 179.25 178.65 1aje h ARG 147 N 0.00 0.00 0.00 0.00 9.65 -1.07 0.38 114.38 123.33 1aje h ARG 147 Ca 0.00 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.81 1aje h ARG 147 Cb 0.27 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.84 1aje h ARG 147 CO 0.00 0.57 -0.33 -0.44 2.80 0.00 0.00 179.97 182.57 1aje h ASP 148 N 0.00 0.00 0.00 -3.80 3.32 0.17 -3.38 116.42 112.73 1aje h ASP 148 Ca -0.01 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 1aje h ASP 148 Cb 1.45 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.98 1aje h ASP 148 CO 0.07 0.31 -1.49 0.18 -1.72 0.00 0.00 179.24 176.60 1aje n LEU 149 N -3.17 2.98 -2.35 1.55 4.77 -0.41 -5.03 117.00 115.34 1aje n LEU 149 Ca 0.03 -0.05 -0.09 0.00 -0.03 0.00 0.00 56.01 55.87 1aje n LEU 149 Cb 0.66 -0.30 0.05 0.00 -2.33 0.00 0.00 43.42 41.50 1aje n LEU 149 CO 0.38 0.64 0.05 0.29 -1.33 0.00 0.00 177.39 177.43 1aje n LYS 150 N -2.75 -3.04 0.00 3.23 4.76 0.13 -5.01 118.16 115.48 1aje n LYS 150 Ca -0.15 0.46 0.00 0.00 -2.87 0.00 0.00 58.31 55.75 1aje n LYS 150 Cb 0.66 -4.22 0.00 0.00 -1.84 0.00 0.00 35.03 29.63 1aje n LYS 150 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1aje n ALA 151 N -2.64 0.00 0.02 7.82 0.00 -1.26 -4.91 120.51 119.54 1aje n ALA 151 Ca -0.13 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.13 1aje n ALA 151 Cb 0.59 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.89 1aje n ALA 151 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1aje h VAL 152 N -0.73 0.77 -1.59 0.00 2.07 0.47 -3.47 116.25 113.76 1aje h VAL 152 Ca 0.00 -2.49 0.09 0.00 0.82 0.00 0.00 66.70 65.12 1aje h VAL 152 Cb 0.00 2.55 -0.26 0.00 -1.52 0.00 0.00 31.29 32.06 1aje h VAL 152 CO 0.00 0.80 0.38 -0.75 0.02 0.00 0.00 177.57 178.02 1aje s LYS 153 N -2.58 0.45 -0.01 1.57 2.36 -1.02 -5.00 119.74 115.51 1aje s LYS 153 Ca -0.16 0.68 0.03 0.00 -2.55 0.00 0.00 55.97 53.97 1aje s LYS 153 Cb 0.07 0.14 -0.03 0.00 -1.05 0.00 0.00 37.83 36.96 1aje s LYS 153 CO 0.80 -0.08 -0.09 -0.47 1.55 0.00 0.00 175.35 177.06 1aje s TYR 154 N 0.97 2.84 0.27 4.03 5.04 -1.26 -0.37 117.35 128.87 1aje s TYR 154 Ca -0.05 -0.06 -0.18 0.00 -2.44 0.00 0.00 57.07 54.34 1aje s TYR 154 Cb -0.04 -1.62 0.01 0.00 0.35 0.00 0.00 41.96 40.66 1aje s TYR 154 CO -0.12 0.33 0.63 0.14 -1.34 0.00 0.00 175.55 175.19 1aje s VAL 155 N -0.92 0.00 -0.08 3.14 -7.23 0.55 -4.97 120.40 110.89 1aje s VAL 155 Ca 0.15 -1.16 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 1aje s VAL 155 Cb -0.11 -2.08 0.02 0.00 0.56 0.00 0.00 36.38 34.77 1aje s VAL 155 CO 0.05 0.00 -0.07 -1.61 -0.31 0.00 0.00 175.10 173.17 1aje s GLU 156 N -3.95 1.22 -0.30 4.82 2.02 -1.26 0.45 118.70 121.71 1aje s GLU 156 Ca 0.15 -0.19 -0.17 0.00 0.02 0.00 0.00 54.97 54.79 1aje s GLU 156 Cb -0.04 -1.23 0.18 0.00 0.10 0.00 0.00 34.13 33.14 1aje s GLU 156 CO 0.08 -0.15 1.15 0.00 0.02 0.00 0.00 175.26 176.36 1aje n SER 158 N 5.00 1.08 0.00 0.00 7.64 -1.26 -4.65 113.62 121.43 1aje n SER 158 Ca -0.08 -1.70 0.00 0.00 1.01 0.00 0.00 58.87 58.10 1aje n SER 158 Cb 0.54 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1aje n SER 158 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aje n ALA 159 N 2.89 0.00 -0.01 -0.43 0.00 -1.26 -3.51 120.51 118.19 1aje n ALA 159 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.50 1aje n ALA 159 Cb 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.52 1aje n ALA 159 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1aje n LEU 160 N 0.00 0.58 0.30 0.00 -0.00 -1.26 -4.45 117.00 112.17 1aje n LEU 160 Ca 0.00 0.26 -0.15 0.00 -0.00 0.00 0.00 56.01 56.12 1aje n LEU 160 Cb 0.00 0.19 -0.08 0.00 -0.00 0.00 0.00 43.42 43.53 1aje n LEU 160 CO 0.00 0.26 0.52 0.74 -0.00 0.00 0.00 177.39 178.92 1aje h THR 161 N 0.00 0.00 -0.70 1.47 2.02 -1.88 -3.48 112.91 110.33 1aje h THR 161 Ca -0.26 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1aje h THR 161 Cb 1.77 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1aje h THR 161 CO 0.04 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.93 1aje n GLN 162 N -4.83 0.00 0.10 6.66 1.13 -1.26 -5.00 117.38 114.18 1aje n GLN 162 Ca -0.11 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 54.77 1aje n GLN 162 Cb 0.38 -1.37 -0.12 0.00 0.11 0.00 0.00 30.24 29.24 1aje n GLN 162 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1aje h LYS 163 N 0.00 0.43 0.00 -1.09 1.57 -1.92 -3.45 116.57 112.11 1aje h LYS 163 Ca 0.00 -0.63 0.00 0.00 -1.87 0.00 0.00 60.65 58.15 1aje h LYS 163 Cb 0.55 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1aje h LYS 163 CO 0.00 1.27 0.00 0.41 -0.57 0.00 0.00 179.45 180.56 1aje n GLY 164 N 1.40 0.55 0.03 3.86 0.00 -1.25 -4.91 105.19 104.87 1aje n GLY 164 Ca -0.11 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.96 1aje n GLY 164 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1aje n LEU 165 N 0.00 0.12 0.09 0.99 -0.00 -1.26 0.14 117.00 117.08 1aje n LEU 165 Ca 0.00 0.54 0.12 0.00 -0.00 0.00 0.00 56.01 56.67 1aje n LEU 165 Cb 0.05 -0.54 0.06 0.00 -0.00 0.00 0.00 43.42 42.98 1aje n LEU 165 CO 0.00 -0.47 0.16 0.50 -0.00 0.00 0.00 177.39 177.58 1aje h LYS 166 N 0.00 0.00 0.14 1.47 3.64 -1.91 -2.70 116.57 117.21 1aje h LYS 166 Ca 0.00 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.11 1aje h LYS 166 Cb 0.12 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1aje h LYS 166 CO 0.00 0.00 -1.32 -2.95 -2.27 0.00 0.00 179.45 172.91 1aje h ASN 167 N 0.00 0.46 -0.62 4.20 7.08 0.85 -2.85 115.58 124.71 1aje h ASN 167 Ca 0.00 -0.89 0.12 0.00 -3.08 0.00 0.00 56.30 52.45 1aje h ASN 167 Cb 0.91 -0.15 -0.09 0.00 -2.08 0.00 0.00 38.32 36.90 1aje h ASN 167 CO 0.00 1.59 0.10 1.62 -2.08 0.00 0.00 177.43 178.67 1aje h VAL 168 N -0.24 0.59 -0.45 6.14 3.04 -0.21 0.77 116.25 125.89 1aje h VAL 168 Ca -0.27 -0.08 0.08 0.00 -1.01 0.00 0.00 66.70 65.43 1aje h VAL 168 Cb 1.80 0.35 -0.07 0.00 -2.01 0.00 0.00 31.29 31.36 1aje h VAL 168 CO 0.11 0.04 0.00 -0.26 -1.01 0.00 0.00 177.57 176.45 1aje h PHE 169 N 0.22 -0.02 -0.33 3.17 0.04 -1.48 2.43 116.94 120.97 1aje h PHE 169 Ca 0.33 0.03 0.02 0.00 2.80 0.00 0.00 57.97 61.15 1aje h PHE 169 Cb 0.51 0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.72 1aje h PHE 169 CO -0.28 -0.09 0.22 -0.44 -0.60 0.00 0.00 178.31 177.12 1aje h ASP 170 N 0.12 0.32 0.11 2.17 5.19 0.47 -2.30 116.42 122.49 1aje h ASP 170 Ca 0.22 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.62 1aje h ASP 170 Cb 0.33 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.76 1aje h ASP 170 CO -0.37 0.23 -0.05 -0.33 -3.12 0.00 0.00 179.24 175.60 1aje h GLU 171 N 0.38 -0.14 -0.60 3.56 3.07 0.71 0.21 114.58 121.77 1aje h GLU 171 Ca 0.13 0.01 0.16 0.00 -0.50 0.00 0.00 59.36 59.16 1aje h GLU 171 Cb 0.05 0.03 -0.11 0.00 -0.84 0.00 0.00 28.75 27.88 1aje h GLU 171 CO -0.03 -0.09 -0.01 0.00 -1.40 0.00 0.00 179.01 177.48 1aje n ALA 172 N -2.17 0.29 -0.01 3.43 0.00 0.72 0.30 120.51 123.07 1aje n ALA 172 Ca -0.02 0.65 -0.13 0.00 0.00 0.00 0.00 53.44 53.94 1aje n ALA 172 Cb 0.06 -0.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.95 1aje n ALA 172 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1aje h ILE 173 N 0.00 1.34 -0.00 0.00 5.03 -1.43 0.24 117.51 122.70 1aje h ILE 173 Ca 0.36 -1.01 0.00 0.00 -0.12 0.00 0.00 64.86 64.09 1aje h ILE 173 Cb 0.72 2.03 -0.00 0.00 -3.03 0.00 0.00 36.82 36.53 1aje h ILE 173 CO -0.57 0.26 0.00 0.25 -0.68 0.00 0.00 178.15 177.41 1aje h LEU 174 N -0.43 0.00 0.00 1.44 7.12 0.80 1.52 115.31 125.76 1aje h LEU 174 Ca -0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1aje h LEU 174 Cb 0.43 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.56 1aje h LEU 174 CO 0.00 0.00 -0.51 0.00 -0.13 0.00 0.00 178.44 177.80 1aje n ALA 175 N -2.13 2.93 -0.28 1.25 0.00 0.75 -2.95 120.51 120.08 1aje n ALA 175 Ca -0.03 -0.24 0.03 0.00 0.00 0.00 0.00 53.44 53.21 1aje n ALA 175 Cb 0.08 -1.21 0.06 0.00 0.00 0.00 0.00 19.45 18.38 1aje n ALA 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aje n ALA 176 N -1.75 2.12 0.00 0.00 0.00 0.45 -4.26 120.51 117.07 1aje n ALA 176 Ca 0.04 -1.40 0.00 0.00 0.00 0.00 0.00 53.44 52.08 1aje n ALA 176 Cb 0.42 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1aje n ALA 176 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1aje n LEU 177 N -0.55 0.00 -0.95 0.00 -0.00 0.25 -4.96 117.00 110.80 1aje n LEU 177 Ca 0.06 -0.21 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 1aje n LEU 177 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.80 1aje n LEU 177 CO 0.02 0.00 -0.00 -1.84 -0.00 0.00 0.00 177.39 175.57 1aje n GLU 178 N -0.65 -0.40 -1.76 1.47 0.28 -1.15 -4.84 120.64 113.58 1aje n GLU 178 Ca 0.00 0.38 -0.33 0.00 -0.16 0.00 0.00 57.16 57.05 1aje n GLU 178 Cb 0.00 -0.25 0.04 0.00 1.43 0.00 0.00 31.44 32.66 1aje n GLU 178 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1aje s PRO 179 N -0.00 2.86 1.17 3.44 0.04 -1.26 -5.03 135.00 136.22 1aje s PRO 179 Ca 0.00 1.31 -0.20 0.00 0.04 0.00 0.00 61.00 62.16 1aje s PRO 179 Cb 0.00 -1.96 0.29 0.00 0.04 0.00 0.00 34.50 32.87 1aje s PRO 179 CO 0.00 -1.19 0.94 -0.35 0.04 0.00 0.00 177.00 176.44 1aje n PRO 180 N -2.46 -3.38 0.26 0.56 -0.04 -1.26 -4.92 135.00 123.75 1aje n PRO 180 Ca 0.10 -1.51 0.17 0.00 -0.04 0.00 0.00 63.50 62.21 1aje n PRO 180 Cb 0.52 -1.54 0.67 0.00 -0.04 0.00 0.00 33.50 33.12 1aje n PRO 180 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1aje h GLU 181 N 0.00 0.00 -3.09 0.54 -0.00 -1.99 -3.34 114.58 106.70 1aje h GLU 181 Ca -0.37 0.00 -0.73 0.00 -0.00 0.00 0.00 59.36 58.27 1aje h GLU 181 Cb 1.15 0.00 -0.09 0.00 -0.00 0.00 0.00 28.75 29.81 1aje h GLU 181 CO 0.24 0.00 2.71 -0.35 -0.00 0.00 0.00 179.01 181.61 1aje n PRO 182 N -2.94 3.96 -3.71 1.06 -0.04 -1.26 -4.84 135.00 127.22 1aje n PRO 182 Ca 0.01 -3.11 -0.15 0.00 -0.04 0.00 0.00 63.50 60.21 1aje n PRO 182 Cb 0.28 -2.82 -0.15 0.00 -0.04 0.00 0.00 33.50 30.77 1aje n PRO 182 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1aje s LYS 183 N 0.45 0.06 -0.53 0.54 2.47 -1.26 -4.95 119.74 116.53 1aje s LYS 183 Ca 0.53 0.46 -0.03 0.00 -1.56 0.00 0.00 55.97 55.37 1aje s LYS 183 Cb 0.16 -0.23 0.00 0.00 -1.46 0.00 0.00 37.83 36.30 1aje s LYS 183 CO -0.06 -0.23 0.53 1.17 0.16 0.00 0.00 175.35 176.91 1aje n LYS 184 N 4.74 -1.21 -0.52 4.03 3.00 -1.26 -4.81 118.16 122.14 1aje n LYS 184 Ca -0.16 1.38 0.07 0.00 -0.00 0.00 0.00 58.31 59.60 1aje n LYS 184 Cb 0.51 -4.82 -0.02 0.00 0.00 0.00 0.00 35.03 30.70 1aje n LYS 184 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1aje n SER 185 N -1.33 -5.97 -3.61 3.14 2.88 -1.26 -4.55 113.62 102.92 1aje n SER 185 Ca 0.02 0.55 -0.27 0.00 -1.33 0.00 0.00 58.87 57.84 1aje n SER 185 Cb 0.47 -1.56 -0.10 0.00 -0.75 0.00 0.00 64.21 62.27 1aje n SER 185 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1aje n ARG 186 N -2.55 2.05 0.00 -1.46 1.74 -1.26 -4.82 116.66 110.36 1aje n ARG 186 Ca 0.00 -4.46 0.01 0.00 -0.77 0.00 0.00 57.85 52.63 1aje n ARG 186 Cb 0.24 -2.19 0.03 0.00 -1.02 0.00 0.00 32.46 29.51 1aje n ARG 186 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00