#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 1.94 0.28 1.61 0.01 -1.26 -5.15 113.70 111.12 1aje s SER -6 Ca 0.00 -0.66 0.11 0.00 1.31 0.00 0.00 55.95 56.71 1aje s SER -6 Cb 0.00 -0.07 -0.05 0.00 0.21 0.00 0.00 66.02 66.11 1aje s SER -6 CO 0.00 -0.05 -0.14 -0.54 0.41 0.00 0.00 173.24 172.92 1aje s LYS -5 N -1.92 1.86 0.78 12.44 1.02 -1.26 -5.09 119.74 127.56 1aje s LYS -5 Ca 0.02 -1.67 -0.17 0.00 0.02 0.00 0.00 55.97 54.16 1aje s LYS -5 Cb -0.09 -1.88 -0.13 0.00 -0.52 0.00 0.00 37.83 35.21 1aje s LYS -5 CO 0.03 0.34 -0.35 -0.89 -0.92 0.00 0.00 175.35 173.56 1aje n ILE -4 N -0.70 0.20 -0.74 2.17 -0.00 -1.26 -4.83 119.36 114.20 1aje n ILE -4 Ca -0.05 -0.48 -0.33 0.00 -0.00 0.00 0.00 62.75 61.89 1aje n ILE -4 Cb 0.60 -0.11 0.15 0.00 -0.00 0.00 0.00 39.64 40.28 1aje n ILE -4 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 1aje n ILE -3 N -2.15 0.00 -3.82 1.39 -0.00 -1.26 -5.01 119.36 108.51 1aje n ILE -3 Ca 0.04 -0.26 -0.00 0.00 -0.00 0.00 0.00 62.75 62.52 1aje n ILE -3 Cb 0.52 -0.55 0.01 0.00 -0.00 0.00 0.00 39.64 39.61 1aje n ILE -3 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 1aje s SER -2 N -1.82 -0.04 -0.58 4.38 0.15 -1.26 -5.06 113.70 109.47 1aje s SER -2 Ca 0.55 -0.35 0.05 0.00 0.70 0.00 0.00 55.95 56.90 1aje s SER -2 Cb -0.13 0.30 0.32 0.00 -1.71 0.00 0.00 66.02 64.80 1aje s SER -2 CO 0.67 -0.59 0.90 0.00 1.20 0.00 0.00 173.24 175.42 1aje n ALA -1 N -0.67 4.47 -2.28 5.45 0.00 -1.26 -3.94 120.51 122.28 1aje n ALA -1 Ca -0.03 -4.68 -0.14 0.00 0.00 0.00 0.00 53.44 48.59 1aje n ALA -1 Cb 0.60 -0.77 0.04 0.00 0.00 0.00 0.00 19.45 19.32 1aje n ALA -1 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1aje n MET 1 N 0.00 2.80 -0.40 0.00 2.81 -1.26 -5.03 117.12 116.05 1aje n MET 1 Ca 0.31 -3.85 0.00 0.00 -1.81 0.00 0.00 57.70 52.34 1aje n MET 1 Cb 0.40 -1.97 0.00 0.00 -0.71 0.00 0.00 33.22 30.95 1aje n MET 1 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1aje n GLN 2 N -0.66 1.29 0.00 0.03 1.13 -1.26 -5.09 117.38 112.82 1aje n GLN 2 Ca 0.30 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.36 1aje n GLN 2 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.26 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 -0.82 0.00 -3.96 5.09 -1.04 -1.26 -4.65 114.28 107.64 1aje n THR 3 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 1aje n THR 3 Cb 0.00 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.37 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 0.00 2.77 -0.26 12.58 1.09 0.60 -4.89 121.20 133.09 1aje s ILE 4 Ca 0.00 -1.41 -0.17 0.00 -1.10 0.00 0.00 60.65 57.98 1aje s ILE 4 Cb 0.00 -2.58 -0.03 0.00 -1.06 0.00 0.00 42.46 38.79 1aje s ILE 4 CO 0.00 -0.05 0.46 -0.54 -0.10 0.00 0.00 174.94 174.71 1aje s LYS 5 N 1.22 4.05 0.07 2.79 -0.14 -1.26 0.20 119.74 126.67 1aje s LYS 5 Ca -0.06 0.21 0.09 0.00 -1.36 0.00 0.00 55.97 54.86 1aje s LYS 5 Cb -0.19 -3.65 -0.03 0.00 -1.68 0.00 0.00 37.83 32.28 1aje s LYS 5 CO -0.02 -0.31 -0.24 0.00 -0.76 0.00 0.00 175.35 174.02 1aje s VAL 7 N -0.91 4.74 0.08 0.00 0.11 -0.82 -1.76 120.40 121.84 1aje s VAL 7 Ca 0.13 -0.04 -0.10 0.00 -2.93 0.00 0.00 61.98 59.04 1aje s VAL 7 Cb -0.10 -3.17 -0.06 0.00 -1.53 0.00 0.00 36.38 31.52 1aje s VAL 7 CO 0.04 0.40 0.40 -0.69 -3.33 0.00 0.00 175.10 171.92 1aje s VAL 8 N 0.87 5.09 0.06 2.04 1.01 -1.10 -0.26 120.40 128.12 1aje s VAL 8 Ca 0.04 0.44 0.04 0.00 0.00 0.00 0.00 61.98 62.51 1aje s VAL 8 Cb -0.14 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1aje s VAL 8 CO 0.03 0.27 -0.13 0.68 0.00 0.00 0.00 175.10 175.95 1aje s VAL 9 N -1.41 0.99 0.00 2.92 -7.23 -0.91 -4.88 120.40 109.88 1aje s VAL 9 Ca 0.34 -1.21 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 1aje s VAL 9 Cb -0.14 -0.97 0.00 0.00 0.56 0.00 0.00 36.38 35.84 1aje s VAL 9 CO 0.18 -0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.36 1aje n GLY 10 N 1.41 0.92 0.00 2.32 0.00 -1.26 -3.15 105.19 105.43 1aje n GLY 10 Ca -0.21 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.21 4.63 -1.16 1.61 9.92 -1.26 -4.76 116.55 125.31 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 0.80 0.00 0.00 -0.64 0.00 0.00 41.12 41.28 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 2.67 -4.34 0.62 0.44 0.00 -1.26 -1.92 105.19 101.39 1aje n GLY 12 Ca -0.01 -0.69 0.44 0.00 0.00 0.00 0.00 46.02 45.76 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 1.71 3.49 0.00 4.61 0.00 -1.93 -2.46 119.26 124.68 1aje h ALA 13 Ca 0.00 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.62 1aje h ALA 13 Cb 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1aje h ALA 13 CO 0.00 -1.95 -1.72 0.28 0.00 0.00 0.00 179.25 175.86 1aje n VAL 14 N -4.02 1.41 0.00 0.00 0.31 -1.26 -5.08 118.33 109.69 1aje n VAL 14 Ca 0.35 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 1aje n VAL 14 Cb 1.63 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 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 1.55 1.28 0.00 2.92 0.00 -0.93 -4.97 105.19 105.04 1aje n GLY 15 Ca -0.33 0.19 0.03 0.00 0.00 0.00 0.00 46.02 45.91 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 0.16 0.24 1.61 0.00 -0.81 -3.21 118.16 116.15 1aje n LYS 16 Ca 0.00 0.06 -0.09 0.00 -0.00 0.00 0.00 58.31 58.28 1aje n LYS 16 Cb 0.00 -1.50 -0.04 0.00 -0.00 0.00 0.00 35.03 33.49 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 -1.75 0.58 2.02 -1.92 -2.56 112.91 109.27 1aje h THR 17 Ca 0.00 -0.08 0.53 0.00 0.77 0.00 0.00 66.41 67.64 1aje h THR 17 Cb 0.01 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.33 1aje h THR 17 CO 0.00 0.00 1.23 0.00 0.37 0.00 0.00 175.52 177.12 1aje h LEU 19 N 0.00 -0.70 -1.16 0.00 5.85 -1.65 0.56 115.31 118.21 1aje h LEU 19 Ca 0.90 0.02 0.30 0.00 0.84 0.00 0.00 57.88 59.94 1aje h LEU 19 Cb 3.41 0.18 -0.12 0.00 0.37 0.00 0.00 40.66 44.50 1aje h LEU 19 CO -0.14 -0.49 0.64 0.25 -0.34 0.00 0.00 178.44 178.36 1aje h LEU 20 N -0.84 0.51 0.63 2.25 7.12 0.27 1.74 115.31 126.98 1aje h LEU 20 Ca -0.08 0.14 -0.03 0.00 0.13 0.00 0.00 57.88 58.03 1aje h LEU 20 Cb 0.63 0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.84 1aje h LEU 20 CO 0.14 -0.01 -0.33 0.40 -0.13 0.00 0.00 178.44 178.51 1aje h ILE 21 N 0.38 0.00 0.00 4.05 1.08 0.85 -1.87 117.51 122.00 1aje h ILE 21 Ca 0.68 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 65.15 1aje h ILE 21 Cb 1.62 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.37 1aje h ILE 21 CO -0.46 0.00 0.00 -0.24 -0.69 0.00 0.00 178.15 176.76 1aje n SER 22 N -4.44 0.65 0.22 1.72 2.88 0.18 0.34 113.62 115.16 1aje n SER 22 Ca -0.11 0.68 0.08 0.00 -1.33 0.00 0.00 58.87 58.18 1aje n SER 22 Cb 0.35 -0.81 0.50 0.00 -0.75 0.00 0.00 64.21 63.51 1aje n SER 22 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1aje h TYR 23 N 0.00 0.00 0.00 0.66 3.20 0.33 0.84 116.97 122.01 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 0.32 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.59 1aje h TYR 23 CO 0.00 0.26 -0.88 0.25 -1.64 0.00 0.00 178.16 176.15 1aje n THR 24 N -3.73 0.00 0.83 1.81 -2.24 -0.36 -4.64 114.28 105.95 1aje n THR 24 Ca -0.01 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.87 1aje n THR 24 Cb 0.37 -0.78 -0.09 0.00 -2.10 0.00 0.00 70.33 67.73 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 -1.94 0.01 -2.04 4.28 -2.24 1.03 -4.93 114.28 108.45 1aje n THR 25 Ca 0.00 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1aje n THR 25 Cb 0.44 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 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 -1.64 -0.69 -3.20 3.42 2.85 0.29 -4.76 115.26 111.54 1aje n ASN 26 Ca 0.03 0.35 0.01 0.00 -0.11 0.00 0.00 54.58 54.85 1aje n ASN 26 Cb 0.37 -0.85 -0.01 0.00 1.24 0.00 0.00 39.78 40.53 1aje n ASN 26 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1aje s LYS 27 N -4.08 0.64 -0.05 1.20 2.20 -1.26 -4.86 119.74 113.53 1aje s LYS 27 Ca 0.00 0.17 -0.14 0.00 -0.36 0.00 0.00 55.97 55.64 1aje s LYS 27 Cb 0.00 0.10 -0.05 0.00 -1.51 0.00 0.00 37.83 36.37 1aje s LYS 27 CO 0.00 -1.10 0.37 -0.59 -0.36 0.00 0.00 175.35 173.67 1aje s PHE 28 N 2.41 3.65 -0.37 4.03 -0.71 -1.26 -4.75 117.98 120.98 1aje s PHE 28 Ca 0.12 0.87 -0.01 0.00 -1.04 0.00 0.00 56.93 56.88 1aje s PHE 28 Cb -0.08 -2.30 0.27 0.00 -1.21 0.00 0.00 43.02 39.70 1aje s PHE 28 CO -0.19 0.53 1.97 -0.35 -1.34 0.00 0.00 175.22 175.84 1aje n PRO 29 N 2.35 1.94 0.00 1.99 -0.04 -1.26 -4.89 135.00 135.08 1aje n PRO 29 Ca -0.13 -1.85 0.00 0.00 -0.04 0.00 0.00 63.50 61.47 1aje n PRO 29 Cb 0.52 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 1aje n PRO 29 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1aje n SER 30 N 0.07 0.00 -2.87 3.54 2.88 -1.26 -3.96 113.62 112.02 1aje n SER 30 Ca 0.36 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.67 1aje n SER 30 Cb 0.65 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.09 1aje n SER 30 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1aje n GLU 31 N 0.00 2.46 0.00 -1.46 -0.58 -1.26 -5.07 120.64 114.73 1aje n GLU 31 Ca 0.00 -4.22 0.00 0.00 -0.42 0.00 0.00 57.16 52.52 1aje n GLU 31 Cb 0.00 -1.98 0.00 0.00 -0.57 0.00 0.00 31.44 28.89 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 -0.15 0.00 -4.00 -0.32 9.36 -1.25 -4.93 117.16 115.87 1aje n TYR 32 Ca 0.28 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 61.28 1aje n TYR 32 Cb 0.57 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.25 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 0.00 5.07 -1.25 2.97 -7.23 -1.26 -5.01 120.40 113.69 1aje s VAL 33 Ca 0.00 -1.02 -0.20 0.00 -1.81 0.00 0.00 61.98 58.96 1aje s VAL 33 Cb 0.00 -3.72 0.03 0.00 0.56 0.00 0.00 36.38 33.25 1aje s VAL 33 CO 0.00 -0.27 1.77 -2.16 -0.31 0.00 0.00 175.10 174.12 1aje s PRO 34 N -3.76 3.59 0.00 4.82 0.04 -1.26 -4.88 135.00 133.55 1aje s PRO 34 Ca 0.34 -1.72 0.00 0.00 0.04 0.00 0.00 61.00 59.66 1aje s PRO 34 Cb -0.09 -5.45 0.00 0.00 0.04 0.00 0.00 34.50 29.00 1aje s PRO 34 CO 0.28 -2.68 0.00 -2.37 0.04 0.00 0.00 177.00 172.27 1aje n THR 35 N 6.78 0.00 -1.40 1.26 5.66 -1.26 -5.11 114.28 120.22 1aje n THR 35 Ca 0.47 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.47 1aje n THR 35 Cb 0.46 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.24 1aje n THR 35 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 1aje n VAL 36 N 0.00 -2.72 -3.19 1.08 0.24 -1.26 -4.96 118.33 107.53 1aje n VAL 36 Ca 0.00 1.25 -0.23 0.00 -2.04 0.00 0.00 64.34 63.32 1aje n VAL 36 Cb 0.00 -1.71 -0.06 0.00 -1.47 0.00 0.00 33.84 30.60 1aje n VAL 36 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1aje n PHE 37 N -0.76 -0.93 -4.14 6.34 -0.00 -1.26 -5.12 117.46 111.59 1aje n PHE 37 Ca 0.00 -3.24 -0.08 0.00 -0.00 0.00 0.00 57.45 54.13 1aje n PHE 37 Cb 0.00 0.06 -0.03 0.00 -0.00 0.00 0.00 39.48 39.51 1aje n PHE 37 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1aje n ASP 38 N 1.87 0.17 -4.70 -2.13 9.92 -1.26 -5.16 116.55 115.26 1aje n ASP 38 Ca 0.22 -1.86 -0.29 0.00 -0.53 0.00 0.00 54.79 52.33 1aje n ASP 38 Cb 0.53 0.58 0.13 0.00 -0.64 0.00 0.00 41.12 41.71 1aje n ASP 38 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1aje s ASN 39 N -1.94 3.75 -0.05 -2.24 -0.87 -1.26 -4.96 114.94 107.36 1aje s ASN 39 Ca 0.13 0.78 0.16 0.00 -1.57 0.00 0.00 52.86 52.37 1aje s ASN 39 Cb 0.01 -1.24 0.56 0.00 -0.02 0.00 0.00 41.25 40.56 1aje s ASN 39 CO 0.09 -2.38 1.45 -1.22 -2.57 0.00 0.00 177.10 172.47 1aje n TYR 40 N -3.63 1.04 -3.73 2.20 4.01 -1.26 -4.70 117.16 111.10 1aje n TYR 40 Ca 0.09 -0.45 -0.37 0.00 -0.16 0.00 0.00 57.90 57.01 1aje n TYR 40 Cb 0.60 -0.12 -0.11 0.00 -0.31 0.00 0.00 39.34 39.40 1aje n TYR 40 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1aje s ALA 41 N -1.56 3.21 0.63 -0.72 0.00 -1.24 -2.66 121.76 119.42 1aje s ALA 41 Ca 0.41 -2.53 -0.00 0.00 0.00 0.00 0.00 51.96 49.84 1aje s ALA 41 Cb 0.24 -2.50 0.07 0.00 0.00 0.00 0.00 23.12 20.93 1aje s ALA 41 CO 0.23 -1.82 0.88 0.14 0.00 0.00 0.00 175.76 175.19 1aje s VAL 42 N 1.19 2.42 -0.18 0.00 -7.23 -1.01 -4.47 120.40 111.11 1aje s VAL 42 Ca 0.08 -0.60 -0.01 0.00 -1.81 0.00 0.00 61.98 59.64 1aje s VAL 42 Cb -0.23 -2.82 0.00 0.00 0.56 0.00 0.00 36.38 33.89 1aje s VAL 42 CO -0.03 0.00 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.74 1aje s THR 43 N -2.96 2.77 0.47 5.32 2.01 -1.26 0.77 115.64 122.77 1aje s THR 43 Ca 0.61 -0.71 0.06 0.00 0.31 0.00 0.00 61.69 61.96 1aje s THR 43 Cb -0.08 -2.21 -0.01 0.00 0.01 0.00 0.00 72.50 70.21 1aje s THR 43 CO 0.41 0.49 0.31 0.68 -0.69 0.00 0.00 174.62 175.83 1aje s VAL 44 N 1.15 2.07 -0.08 3.82 -7.23 -0.96 -4.84 120.40 114.33 1aje s VAL 44 Ca 0.01 -1.54 -0.01 0.00 -1.81 0.00 0.00 61.98 58.63 1aje s VAL 44 Cb -0.14 -2.61 0.03 0.00 0.56 0.00 0.00 36.38 34.22 1aje s VAL 44 CO -0.04 0.00 -0.02 -0.04 -0.31 0.00 0.00 175.10 174.69 1aje s MET 45 N -4.12 0.78 -0.13 4.82 -1.94 -1.26 -0.14 119.30 117.31 1aje s MET 45 Ca 0.38 0.03 -0.28 0.00 -1.71 0.00 0.00 55.69 54.11 1aje s MET 45 Cb -0.00 -1.06 -0.25 0.00 2.01 0.00 0.00 34.83 35.53 1aje s MET 45 CO 0.22 -0.28 0.77 0.82 -0.01 0.00 0.00 175.02 176.55 1aje h ILE 46 N 6.29 1.72 -0.03 2.53 5.03 -1.90 -3.43 117.51 127.71 1aje h ILE 46 Ca -0.23 -2.25 -0.16 0.00 -0.12 0.00 0.00 64.86 62.10 1aje h ILE 46 Cb 1.13 3.23 -0.18 0.00 -3.03 0.00 0.00 36.82 37.96 1aje h ILE 46 CO 0.30 0.57 -0.40 0.61 -0.68 0.00 0.00 178.15 178.55 1aje n GLY 47 N 1.55 1.31 0.00 5.37 0.00 -1.26 -4.92 105.19 107.24 1aje n GLY 47 Ca -0.10 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.68 1.26 3.15 -0.02 0.00 -1.26 -5.10 105.19 102.53 1aje n GLY 48 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.11 2.61 -0.09 1.61 0.41 -1.26 -4.72 118.70 117.16 1aje s GLU 49 Ca 0.00 -0.72 -0.21 0.00 -0.41 0.00 0.00 54.97 53.62 1aje s GLU 49 Cb 0.00 -2.04 -0.04 0.00 -1.78 0.00 0.00 34.13 30.27 1aje s GLU 49 CO 0.00 0.10 0.61 -1.25 -0.49 0.00 0.00 175.26 174.22 1aje s PRO 50 N 0.54 4.39 -0.26 0.39 0.04 -1.25 -2.62 135.00 136.23 1aje s PRO 50 Ca -0.15 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.58 1aje s PRO 50 Cb -0.17 -3.45 0.07 0.00 0.04 0.00 0.00 34.50 30.99 1aje s PRO 50 CO 0.06 0.09 -0.00 0.71 0.04 0.00 0.00 177.00 177.89 1aje s TYR 51 N 0.78 2.28 0.58 0.56 1.51 0.80 -4.12 117.35 119.74 1aje s TYR 51 Ca 0.32 -1.80 -0.18 0.00 -1.01 0.00 0.00 57.07 54.40 1aje s TYR 51 Cb -0.17 -1.70 -0.04 0.00 -0.11 0.00 0.00 41.96 39.95 1aje s TYR 51 CO 0.15 -0.79 1.13 0.99 -1.11 0.00 0.00 175.55 175.91 1aje s THR 52 N 1.43 3.16 -0.22 -0.71 2.01 -1.24 -2.27 115.64 117.80 1aje s THR 52 Ca -0.01 0.66 -0.03 0.00 0.31 0.00 0.00 61.69 62.63 1aje s THR 52 Cb -0.18 -3.22 0.07 0.00 0.01 0.00 0.00 72.50 69.17 1aje s THR 52 CO -0.10 -0.21 0.06 -1.48 -0.69 0.00 0.00 174.62 172.20 1aje s LEU 53 N -4.14 1.16 -0.58 4.42 -0.00 0.23 0.22 118.68 120.00 1aje s LEU 53 Ca 0.71 -0.96 -0.16 0.00 -0.00 0.00 0.00 54.13 53.72 1aje s LEU 53 Cb -0.23 -0.57 0.14 0.00 -0.00 0.00 0.00 46.19 45.53 1aje s LEU 53 CO 0.32 -0.34 0.57 -0.83 -0.00 0.00 0.00 176.35 176.07 1aje s GLY 54 N 1.88 2.10 0.25 -3.48 0.00 0.53 -2.41 107.32 106.19 1aje s GLY 54 Ca 0.02 -2.58 0.07 0.00 0.00 0.00 0.00 44.72 42.23 1aje s GLY 54 CO -0.13 1.28 0.21 0.48 0.00 0.00 0.00 173.10 174.93 1aje s LEU 55 N 1.64 3.85 0.01 0.66 2.34 -1.09 -1.03 118.68 125.05 1aje s LEU 55 Ca 0.06 -0.23 0.08 0.00 0.06 0.00 0.00 54.13 54.10 1aje s LEU 55 Cb -0.27 -2.38 -0.02 0.00 -0.56 0.00 0.00 46.19 42.96 1aje s LEU 55 CO 0.02 -0.04 -0.25 -0.36 -1.06 0.00 0.00 176.35 174.66 1aje s PHE 56 N -2.13 2.21 0.24 3.48 0.08 -0.72 -4.85 117.98 116.29 1aje s PHE 56 Ca 0.33 -0.41 0.01 0.00 0.12 0.00 0.00 56.93 56.98 1aje s PHE 56 Cb -0.08 -1.38 0.01 0.00 -0.57 0.00 0.00 43.02 41.00 1aje s PHE 56 CO 0.25 0.03 0.08 -0.25 -0.10 0.00 0.00 175.22 175.23 1aje n ASP 57 N 2.19 2.25 0.00 1.36 9.92 -1.26 -2.70 116.55 128.31 1aje n ASP 57 Ca -0.16 -1.94 0.00 0.00 -0.53 0.00 0.00 54.79 52.16 1aje n ASP 57 Cb 0.52 0.08 0.00 0.00 -0.64 0.00 0.00 41.12 41.08 1aje n ASP 57 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1aje n THR 58 N -0.80 0.00 -1.74 -3.53 5.66 -1.26 -4.92 114.28 107.69 1aje n THR 58 Ca -0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 1aje n THR 58 Cb 0.29 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.07 1aje n THR 58 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1aje n ALA 59 N 2.59 -2.03 -1.29 1.79 0.00 -1.26 -5.02 120.51 115.29 1aje n ALA 59 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1aje n ALA 59 Cb 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.02 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 -0.01 1.08 3.40 0.00 0.00 -1.26 -4.92 105.19 103.49 1aje n GLY 60 Ca 0.00 -1.11 -0.45 0.00 0.00 0.00 0.00 46.02 44.46 1aje n GLY 60 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1aje s GLN 61 N 1.38 3.53 0.60 1.61 0.74 -1.26 -4.85 119.66 121.41 1aje s GLN 61 Ca 0.00 -1.92 0.29 0.00 0.05 0.00 0.00 55.36 53.78 1aje s GLN 61 Cb 0.00 -4.67 1.53 0.00 1.10 0.00 0.00 33.01 30.97 1aje s GLN 61 CO 0.00 -1.59 1.93 0.93 -0.55 0.00 0.00 175.29 176.01 1aje h GLU 62 N 8.55 0.00 -2.75 1.67 5.08 -1.97 -3.44 114.58 121.73 1aje h GLU 62 Ca 0.08 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.20 1aje h GLU 62 Cb 1.04 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.24 1aje h GLU 62 CO 0.99 0.00 -0.26 -3.47 -1.00 0.00 0.00 179.01 175.27 1aje n ASP 63 N -3.60 -3.43 -4.43 1.42 2.03 -1.26 -4.81 116.55 102.47 1aje n ASP 63 Ca 0.06 0.25 -0.48 0.00 0.52 0.00 0.00 54.79 55.14 1aje n ASP 63 Cb 0.57 -3.07 -0.03 0.00 -0.72 0.00 0.00 41.12 37.87 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 -2.61 -0.20 -1.72 -0.67 9.36 -1.26 -4.78 117.16 115.28 1aje n TYR 64 Ca -0.13 0.93 -0.43 0.00 3.32 0.00 0.00 57.90 61.59 1aje n TYR 64 Cb 0.50 -2.01 -0.02 0.00 -0.63 0.00 0.00 39.34 37.19 1aje n TYR 64 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1aje n ASP 65 N 1.88 3.47 -3.93 2.98 5.75 -1.26 -4.93 116.55 120.50 1aje n ASP 65 Ca 0.17 1.15 -0.10 0.00 -0.01 0.00 0.00 54.79 55.99 1aje n ASP 65 Cb 0.26 -1.54 -0.11 0.00 -1.03 0.00 0.00 41.12 38.70 1aje n ASP 65 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1aje s ARG 66 N -0.51 0.34 0.37 0.11 3.52 -1.26 -5.03 118.95 116.49 1aje s ARG 66 Ca 0.65 -0.48 0.04 0.00 -0.13 0.00 0.00 55.73 55.82 1aje s ARG 66 Cb -0.55 0.13 0.72 0.00 -1.56 0.00 0.00 34.95 33.70 1aje s ARG 66 CO 0.49 -0.07 2.01 -0.07 -0.81 0.00 0.00 175.30 176.85 1aje h LEU 67 N 4.66 0.59 -9.95 -0.88 4.07 -1.97 -3.42 115.31 108.41 1aje h LEU 67 Ca -0.31 -0.03 -0.52 0.00 0.08 0.00 0.00 57.88 57.10 1aje h LEU 67 Cb 1.20 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.77 1aje h LEU 67 CO 0.41 0.46 -0.00 -0.13 -1.08 0.00 0.00 178.44 178.10 1aje s ARG 68 N -5.51 3.97 0.56 1.13 0.52 -1.26 -4.95 118.95 113.40 1aje s ARG 68 Ca -0.09 0.54 0.33 0.00 -0.52 0.00 0.00 55.73 55.99 1aje s ARG 68 Cb 0.17 -2.66 1.60 0.00 0.52 0.00 0.00 34.95 34.58 1aje s ARG 68 CO 0.75 0.30 2.09 -1.00 0.02 0.00 0.00 175.30 177.47 1aje h PRO 69 N 2.76 0.00 -5.87 3.54 0.13 -2.04 -3.35 132.00 127.16 1aje h PRO 69 Ca -0.48 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.00 1aje h PRO 69 Cb 1.18 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.23 1aje h PRO 69 CO 0.67 0.07 2.09 -0.51 -0.23 0.00 0.00 178.00 180.08 1aje s LEU 70 N -6.65 3.77 -0.69 1.56 1.43 -1.26 -4.88 118.68 111.96 1aje s LEU 70 Ca -0.02 -2.31 -0.24 0.00 -1.03 0.00 0.00 54.13 50.53 1aje s LEU 70 Cb 0.12 -2.58 -0.20 0.00 0.03 0.00 0.00 46.19 43.56 1aje s LEU 70 CO 0.54 -1.28 1.86 -1.20 0.23 0.00 0.00 176.35 176.50 1aje n SER 71 N 8.69 2.23 -2.51 2.29 7.64 -1.26 -4.49 113.62 126.21 1aje n SER 71 Ca 0.47 -2.63 -0.16 0.00 1.01 0.00 0.00 58.87 57.56 1aje n SER 71 Cb 0.47 -1.12 0.02 0.00 -1.01 0.00 0.00 64.21 62.57 1aje n SER 71 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1aje n TYR 72 N 9.62 2.20 0.00 1.43 4.01 -1.26 -4.84 117.16 128.32 1aje n TYR 72 Ca 0.48 -2.65 0.00 0.00 -0.16 0.00 0.00 57.90 55.57 1aje n TYR 72 Cb 0.42 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 1aje n TYR 72 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1aje n PRO 73 N -0.43 0.00 -2.85 -0.72 -0.04 -1.26 -5.00 135.00 124.70 1aje n PRO 73 Ca 0.25 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.70 1aje n PRO 73 Cb 0.80 -0.02 -0.01 0.00 -0.04 0.00 0.00 33.50 34.23 1aje n PRO 73 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1aje n GLN 74 N 0.00 -2.09 -0.44 0.54 3.00 -1.26 -4.69 117.38 112.44 1aje n GLN 74 Ca 0.00 1.74 0.06 0.00 -0.01 0.00 0.00 57.00 58.79 1aje n GLN 74 Cb 0.00 -1.91 -0.01 0.00 0.00 0.00 0.00 30.24 28.31 1aje n GLN 74 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1aje n THR 75 N 2.28 0.00 -0.58 5.09 -2.24 -1.26 -4.42 114.28 113.15 1aje n THR 75 Ca -0.10 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.69 1aje n THR 75 Cb 0.16 -0.15 0.01 0.00 -2.10 0.00 0.00 70.33 68.25 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 -4.09 1.20 -3.97 3.42 8.00 1.10 -4.83 116.55 117.38 1aje n ASP 76 Ca 0.00 -1.75 -0.25 0.00 0.71 0.00 0.00 54.79 53.51 1aje n ASP 76 Cb 0.20 -0.05 -0.05 0.00 -0.02 0.00 0.00 41.12 41.19 1aje n ASP 76 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1aje n VAL 77 N -0.38 0.00 -3.42 2.53 0.31 -0.36 -4.73 118.33 112.28 1aje n VAL 77 Ca 0.01 -1.88 -0.20 0.00 -0.01 0.00 0.00 64.34 62.27 1aje n VAL 77 Cb 0.40 0.43 -0.10 0.00 -0.91 0.00 0.00 33.84 33.66 1aje n VAL 77 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1aje s PHE 78 N -2.49 -0.24 -0.88 3.52 0.08 -0.45 -1.95 117.98 115.58 1aje s PHE 78 Ca 0.03 -0.49 -0.21 0.00 0.12 0.00 0.00 56.93 56.39 1aje s PHE 78 Cb 0.00 -0.55 0.10 0.00 -0.57 0.00 0.00 43.02 42.00 1aje s PHE 78 CO 0.02 -0.91 1.15 -0.51 -0.10 0.00 0.00 175.22 174.87 1aje s LEU 79 N 2.09 4.58 -0.47 -0.37 1.43 0.64 -1.49 118.68 125.09 1aje s LEU 79 Ca 0.11 -1.65 -0.28 0.00 -1.03 0.00 0.00 54.13 51.28 1aje s LEU 79 Cb -0.15 -2.44 0.03 0.00 0.03 0.00 0.00 46.19 43.66 1aje s LEU 79 CO -0.27 -1.25 1.06 -0.69 0.23 0.00 0.00 176.35 175.44 1aje s VAL 80 N 3.49 4.30 0.35 -1.59 1.01 -0.10 -2.14 120.40 125.72 1aje s VAL 80 Ca 0.32 1.08 -0.14 0.00 0.00 0.00 0.00 61.98 63.24 1aje s VAL 80 Cb -0.07 -4.54 -0.08 0.00 0.00 0.00 0.00 36.38 31.68 1aje s VAL 80 CO -0.04 -0.94 0.76 0.00 0.00 0.00 0.00 175.10 174.88 1aje n PHE 82 N -0.65 0.00 -2.15 0.00 1.16 0.21 -4.83 117.46 111.20 1aje n PHE 82 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.61 1aje n PHE 82 Cb 0.53 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.40 1aje n PHE 82 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 1aje n SER 83 N -0.87 -9.26 0.00 5.98 7.64 -1.26 -0.91 113.62 114.94 1aje n SER 83 Ca 0.00 1.47 0.11 0.00 1.01 0.00 0.00 58.87 61.46 1aje n SER 83 Cb 0.00 -5.24 0.03 0.00 -1.01 0.00 0.00 64.21 57.99 1aje n SER 83 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1aje n VAL 84 N 1.99 0.02 1.35 0.44 0.31 -1.26 -4.04 118.33 117.14 1aje n VAL 84 Ca 0.00 -0.03 0.08 0.00 -0.01 0.00 0.00 64.34 64.37 1aje n VAL 84 Cb 0.00 0.62 0.45 0.00 -0.91 0.00 0.00 33.84 34.00 1aje n VAL 84 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1aje n VAL 85 N -1.56 0.00 -4.36 2.52 0.24 -1.26 -0.73 118.33 113.18 1aje n VAL 85 Ca 0.04 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.15 1aje n VAL 85 Cb 0.35 -0.52 -0.10 0.00 -1.47 0.00 0.00 33.84 32.10 1aje n VAL 85 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1aje s SER 86 N -1.80 2.45 0.35 -1.34 0.01 -1.26 -4.76 113.70 107.35 1aje s SER 86 Ca 0.23 -1.10 0.19 0.00 1.31 0.00 0.00 55.95 56.57 1aje s SER 86 Cb 0.10 -0.11 0.42 0.00 0.21 0.00 0.00 66.02 66.64 1aje s SER 86 CO 0.18 -0.29 1.61 1.55 0.41 0.00 0.00 173.24 176.70 1aje h PRO 87 N 2.48 0.00 0.00 12.44 0.13 -1.86 -3.04 132.00 142.15 1aje h PRO 87 Ca -0.39 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.72 1aje h PRO 87 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1aje h PRO 87 CO 0.64 0.37 -0.06 0.43 -0.23 0.00 0.00 178.00 179.15 1aje n SER 88 N -3.31 -0.22 -0.26 1.44 7.64 -1.26 -4.84 113.62 112.82 1aje n SER 88 Ca 0.01 -1.09 -0.07 0.00 1.01 0.00 0.00 58.87 58.73 1aje n SER 88 Cb 0.60 0.06 0.05 0.00 -1.01 0.00 0.00 64.21 63.91 1aje n SER 88 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1aje h SER 89 N 0.00 1.03 0.00 6.43 4.64 -1.82 -1.23 113.55 122.60 1aje h SER 89 Ca -0.12 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1aje h SER 89 Cb 0.98 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1aje h SER 89 CO -0.06 0.96 0.31 2.22 -0.87 0.00 0.00 176.83 179.39 1aje n PHE 90 N -4.30 0.37 0.01 4.77 -1.74 -0.09 -1.35 117.46 115.15 1aje n PHE 90 Ca 0.05 0.20 -0.19 0.00 -0.56 0.00 0.00 57.45 56.95 1aje n PHE 90 Cb 0.22 -0.60 -0.14 0.00 1.52 0.00 0.00 39.48 40.48 1aje n PHE 90 CO 0.00 0.00 0.00 1.49 -0.56 0.00 0.00 176.76 177.69 1aje h GLU 91 N 0.00 0.23 0.00 3.97 4.57 -1.49 -3.28 114.58 118.58 1aje h GLU 91 Ca 0.00 -0.39 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 1aje h GLU 91 Cb 0.61 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 1aje h GLU 91 CO 0.00 1.09 0.00 0.27 -1.18 0.00 0.00 179.01 179.19 1aje n ASN 92 N -3.41 0.39 -0.10 1.04 0.23 -0.45 0.32 115.26 113.27 1aje n ASN 92 Ca -0.28 0.68 -0.08 0.00 -0.53 0.00 0.00 54.58 54.37 1aje n ASN 92 Cb 1.05 -0.73 0.09 0.00 -2.08 0.00 0.00 39.78 38.11 1aje n ASN 92 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 1aje h VAL 93 N 0.00 1.27 0.32 3.53 2.07 -1.61 -1.67 116.25 120.16 1aje h VAL 93 Ca 0.00 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 1aje h VAL 93 Cb 0.01 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1aje h VAL 93 CO 0.00 0.43 -0.16 0.11 0.02 0.00 0.00 177.57 177.98 1aje h LYS 94 N 0.72 -0.42 -0.00 1.57 6.56 -0.30 0.15 116.57 124.86 1aje h LYS 94 Ca 0.11 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.73 1aje h LYS 94 Cb 0.69 0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 32.44 1aje h LYS 94 CO 0.05 -0.10 0.00 1.05 -2.06 0.00 0.00 179.45 178.39 1aje h GLU 95 N -0.79 0.00 0.00 3.15 4.11 -1.43 -3.10 114.58 116.52 1aje h GLU 95 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1aje h GLU 95 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1aje h GLU 95 CO 0.07 0.00 -0.66 1.63 0.07 0.00 0.00 179.01 180.12 1aje n LYS 96 N -4.29 1.16 0.01 1.06 5.02 -0.64 -4.63 118.16 115.86 1aje n LYS 96 Ca -0.03 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.19 1aje n LYS 96 Cb 0.09 -0.83 0.12 0.00 -0.02 0.00 0.00 35.03 34.38 1aje n LYS 96 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 1aje h TRP 97 N 0.00 0.60 -0.12 2.13 4.06 -0.83 -1.40 115.95 120.40 1aje h TRP 97 Ca 0.00 -0.18 -0.01 0.00 2.06 0.00 0.00 58.89 60.76 1aje h TRP 97 Cb 0.66 -0.13 -0.00 0.00 -1.00 0.00 0.00 29.16 28.69 1aje h TRP 97 CO 0.00 0.85 0.03 0.28 -3.56 0.00 0.00 178.44 176.04 1aje h VAL 98 N 0.41 1.19 0.00 1.49 2.07 -1.21 0.17 116.25 120.36 1aje h VAL 98 Ca 0.03 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1aje h VAL 98 Cb 0.92 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1aje h VAL 98 CO 0.08 0.17 0.00 -0.81 0.02 0.00 0.00 177.57 177.03 1aje n PRO 99 N -4.87 0.00 0.02 1.57 -0.04 -1.16 -0.40 135.00 130.11 1aje n PRO 99 Ca -0.06 0.35 -0.18 0.00 -0.04 0.00 0.00 63.50 63.58 1aje n PRO 99 Cb 0.15 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.97 1aje n PRO 99 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1aje h GLU 100 N 0.00 0.21 0.00 0.54 4.57 0.18 -3.39 114.58 116.70 1aje h GLU 100 Ca 0.00 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 1aje h GLU 100 Cb 0.14 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1aje h GLU 100 CO 0.00 1.04 0.00 0.44 -1.18 0.00 0.00 179.01 179.31 1aje n ILE 101 N -3.39 0.00 -2.16 2.32 -5.35 0.38 -4.84 119.36 106.32 1aje n ILE 101 Ca -0.25 0.46 -0.02 0.00 -0.27 0.00 0.00 62.75 62.67 1aje n ILE 101 Cb 1.05 -0.95 -0.03 0.00 -1.74 0.00 0.00 39.64 37.97 1aje n ILE 101 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 1aje n THR 102 N -0.85 0.00 -3.31 7.28 5.66 -0.92 -4.98 114.28 117.15 1aje n THR 102 Ca 0.00 -0.32 -0.17 0.00 -3.05 0.00 0.00 64.05 60.51 1aje n THR 102 Cb 0.00 0.61 0.07 0.00 -1.55 0.00 0.00 70.33 69.46 1aje n THR 102 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 1aje n HIS 103 N 0.16 -2.12 -1.89 1.09 -0.00 0.46 -4.02 115.22 108.89 1aje n HIS 103 Ca -0.12 0.83 -0.00 0.00 0.46 0.00 0.00 57.72 58.89 1aje n HIS 103 Cb 0.82 -4.58 0.00 0.00 -0.12 0.00 0.00 29.99 26.12 1aje n HIS 103 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1aje n HIS 104 N -4.08 -0.75 -3.52 1.57 -0.00 -1.19 -4.89 115.22 102.35 1aje n HIS 104 Ca -0.14 0.29 -0.27 0.00 0.46 0.00 0.00 57.72 58.05 1aje n HIS 104 Cb 0.61 -2.16 -0.11 0.00 -0.12 0.00 0.00 29.99 28.21 1aje n HIS 104 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1aje n PRO 106 N 2.77 3.19 -0.00 0.00 -0.04 -1.26 -4.60 135.00 135.06 1aje n PRO 106 Ca 0.25 -2.32 0.18 0.00 -0.04 0.00 0.00 63.50 61.58 1aje n PRO 106 Cb 0.44 -2.38 0.66 0.00 -0.04 0.00 0.00 33.50 32.17 1aje n PRO 106 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1aje h LYS 107 N 3.86 0.06 0.00 0.54 1.57 -1.97 -3.43 116.57 117.20 1aje h LYS 107 Ca 0.53 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 1aje h LYS 107 Cb 0.70 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1aje h LYS 107 CO 1.08 0.04 0.00 2.41 -0.57 0.00 0.00 179.45 182.42 1aje n THR 108 N -4.40 0.00 -2.63 -0.16 -1.04 -1.26 -5.04 114.28 99.74 1aje n THR 108 Ca 0.09 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.67 1aje n THR 108 Cb 0.55 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.06 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 -2.00 3.96 -0.14 -2.82 0.04 -0.61 -4.65 135.00 128.78 1aje s PRO 109 Ca 0.00 -2.00 -0.02 0.00 0.04 0.00 0.00 61.00 59.02 1aje s PRO 109 Cb 0.00 -5.45 0.05 0.00 0.04 0.00 0.00 34.50 29.13 1aje s PRO 109 CO 0.00 -2.18 0.02 0.12 0.04 0.00 0.00 177.00 175.00 1aje s PHE 110 N 3.92 0.86 -0.19 0.56 2.19 -1.26 -1.34 117.98 122.71 1aje s PHE 110 Ca 0.52 -0.54 -0.00 0.00 0.33 0.00 0.00 56.93 57.23 1aje s PHE 110 Cb 0.03 -0.93 0.05 0.00 -1.31 0.00 0.00 43.02 40.86 1aje s PHE 110 CO 0.05 -0.49 -0.04 -0.51 1.83 0.00 0.00 175.22 176.06 1aje s LEU 111 N 1.91 1.90 -0.55 6.12 1.43 -0.56 0.32 118.68 129.26 1aje s LEU 111 Ca 0.02 -0.87 -0.18 0.00 -1.03 0.00 0.00 54.13 52.07 1aje s LEU 111 Cb -0.15 -0.97 0.09 0.00 0.03 0.00 0.00 46.19 45.19 1aje s LEU 111 CO -0.07 -0.22 0.61 -0.22 0.23 0.00 0.00 176.35 176.68 1aje s LEU 112 N 1.57 5.47 0.05 1.79 2.96 -0.52 -0.93 118.68 129.08 1aje s LEU 112 Ca -0.02 -1.36 -0.00 0.00 -0.22 0.00 0.00 54.13 52.52 1aje s LEU 112 Cb -0.17 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 1aje s LEU 112 CO -0.07 -0.95 -0.04 0.68 -1.32 0.00 0.00 176.35 174.65 1aje s VAL 113 N 2.33 0.29 0.00 1.68 -7.23 -0.96 -2.57 120.40 113.94 1aje s VAL 113 Ca 0.10 -1.75 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 1aje s VAL 113 Cb -0.24 -1.43 0.00 0.00 0.56 0.00 0.00 36.38 35.27 1aje s VAL 113 CO 0.07 -0.93 0.00 0.61 -0.31 0.00 0.00 175.10 174.54 1aje n GLY 114 N 0.23 -3.02 1.17 2.32 0.00 -0.76 0.65 105.19 105.77 1aje n GLY 114 Ca -0.15 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1aje n GLY 114 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1aje n THR 115 N 0.00 0.00 -3.50 2.61 5.66 -1.26 -3.62 114.28 114.17 1aje n THR 115 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 1aje n THR 115 Cb 0.00 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 1aje n THR 115 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1aje n GLN 116 N -1.92 2.66 -0.12 1.09 7.27 -1.26 -0.98 117.38 124.12 1aje n GLN 116 Ca 0.00 -4.59 0.08 0.00 0.07 0.00 0.00 57.00 52.56 1aje n GLN 116 Cb 0.00 -2.32 0.28 0.00 2.41 0.00 0.00 30.24 30.61 1aje n GLN 116 CO 0.00 0.00 0.00 0.44 0.07 0.00 0.00 177.06 177.57 1aje n ILE 117 N 1.37 0.33 1.50 1.69 -5.35 -1.26 -3.99 119.36 113.64 1aje n ILE 117 Ca 0.26 -0.40 0.09 0.00 -0.27 0.00 0.00 62.75 62.43 1aje n ILE 117 Cb 0.38 0.31 0.54 0.00 -1.74 0.00 0.00 39.64 39.13 1aje n ILE 117 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1aje n ASP 118 N 0.42 0.00 0.00 7.28 5.75 -1.26 -2.31 116.55 126.42 1aje n ASP 118 Ca 0.14 -0.93 0.00 0.00 -0.01 0.00 0.00 54.79 54.00 1aje n ASP 118 Cb 0.32 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 1aje n ASP 118 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1aje n LEU 119 N -0.88 0.00 -0.01 -2.12 7.99 -1.26 -4.60 117.00 116.12 1aje n LEU 119 Ca 0.14 -0.15 0.23 0.00 -0.01 0.00 0.00 56.01 56.22 1aje n LEU 119 Cb 0.06 0.00 0.72 0.00 -0.11 0.00 0.00 43.42 44.09 1aje n LEU 119 CO 0.10 0.00 1.21 -0.09 -1.51 0.00 0.00 177.39 177.10 1aje h ARG 120 N 0.00 0.00 -0.02 3.23 1.12 -1.64 1.71 114.38 118.78 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 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 1aje h ARG 120 CO 0.00 0.00 -0.10 -3.47 -3.11 0.00 0.00 179.97 173.29 1aje n ASP 121 N -3.87 2.66 -4.79 -3.80 -0.08 -1.26 -4.50 116.55 100.92 1aje n ASP 121 Ca 0.12 -1.83 -0.22 0.00 -1.51 0.00 0.00 54.79 51.35 1aje n ASP 121 Cb 0.77 0.11 -0.05 0.00 2.34 0.00 0.00 41.12 44.29 1aje n ASP 121 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1aje s ASP 122 N -1.98 5.10 0.12 1.67 1.11 0.58 -4.99 116.67 118.28 1aje s ASP 122 Ca 0.24 -0.52 0.20 0.00 0.18 0.00 0.00 52.55 52.65 1aje s ASP 122 Cb 0.18 -1.01 0.83 0.00 1.07 0.00 0.00 42.92 44.00 1aje s ASP 122 CO 0.34 -0.20 1.63 -0.81 1.18 0.00 0.00 175.17 177.30 1aje n PRO 123 N -1.20 0.10 0.19 8.23 -0.04 -1.26 -2.94 135.00 138.08 1aje n PRO 123 Ca -0.04 0.30 0.07 0.00 -0.04 0.00 0.00 63.50 63.78 1aje n PRO 123 Cb 0.59 -1.68 0.57 0.00 -0.04 0.00 0.00 33.50 32.95 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 0.13 0.81 3.54 0.87 -1.94 -0.64 113.55 116.31 1aje h SER 124 Ca 0.00 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1aje h SER 124 Cb 0.35 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1aje h SER 124 CO 0.00 0.10 -0.39 0.41 -0.53 0.00 0.00 176.83 176.42 1aje n THR 125 N -4.51 0.17 -0.03 2.23 -1.04 -1.15 -4.25 114.28 105.69 1aje n THR 125 Ca -0.01 -0.11 -0.13 0.00 -2.04 0.00 0.00 64.05 61.76 1aje n THR 125 Cb 0.09 -0.10 -0.11 0.00 -1.82 0.00 0.00 70.33 68.39 1aje n THR 125 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1aje h ILE 126 N 0.00 1.44 -0.98 12.58 1.08 -1.26 -3.29 117.51 127.08 1aje h ILE 126 Ca 0.00 -1.73 0.13 0.00 -0.39 0.00 0.00 64.86 62.88 1aje h ILE 126 Cb 0.60 2.56 -0.08 0.00 -3.07 0.00 0.00 36.82 36.82 1aje h ILE 126 CO 0.00 0.42 0.62 -0.33 -0.69 0.00 0.00 178.15 178.17 1aje h GLU 127 N -0.82 0.88 -1.01 2.37 4.39 -1.73 2.24 114.58 120.90 1aje h GLU 127 Ca -0.00 -0.05 0.24 0.00 0.34 0.00 0.00 59.36 59.89 1aje h GLU 127 Cb 0.72 -0.20 -0.11 0.00 -0.10 0.00 0.00 28.75 29.06 1aje h GLU 127 CO 0.01 0.58 0.62 -0.22 -1.16 0.00 0.00 179.01 178.84 1aje h LYS 128 N 0.91 0.53 0.00 2.33 1.63 -1.75 -3.38 116.57 116.84 1aje h LYS 128 Ca 0.50 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.27 1aje h LYS 128 Cb 0.59 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 1aje h LYS 128 CO -0.27 0.35 0.00 1.28 -3.45 0.00 0.00 179.45 177.36 1aje n LEU 129 N -4.78 0.23 -1.95 5.20 4.32 0.10 -4.99 117.00 115.14 1aje n LEU 129 Ca 0.26 0.31 -0.12 0.00 -0.02 0.00 0.00 56.01 56.44 1aje n LEU 129 Cb 0.76 0.13 -0.03 0.00 -1.62 0.00 0.00 43.42 42.66 1aje n LEU 129 CO 0.20 -0.74 -0.13 0.00 -1.22 0.00 0.00 177.39 175.50 1aje n ALA 130 N -3.33 -0.51 0.16 -1.18 0.00 0.74 -4.72 120.51 111.67 1aje n ALA 130 Ca 0.00 0.14 0.01 0.00 0.00 0.00 0.00 53.44 53.59 1aje n ALA 130 Cb 0.00 -1.37 0.24 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.27 0.00 1.79 -1.88 -2.10 116.57 114.11 1aje h LYS 131 Ca -0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 1aje h LYS 131 Cb 1.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 1aje h LYS 131 CO 0.34 0.52 0.00 0.09 -1.08 0.00 0.00 179.45 179.32 1aje n ASN 132 N -3.75 3.55 -3.52 0.86 3.02 -1.26 -4.92 115.26 109.24 1aje n ASN 132 Ca -0.01 -2.73 -0.25 0.00 -0.03 0.00 0.00 54.58 51.56 1aje n ASN 132 Cb 0.56 -0.45 -0.01 0.00 -0.61 0.00 0.00 39.78 39.27 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 -0.27 -3.02 0.00 3.52 4.76 -0.79 -4.40 118.16 117.97 1aje n LYS 133 Ca 0.18 0.38 0.00 0.00 -2.87 0.00 0.00 58.31 56.00 1aje n LYS 133 Cb 0.75 -5.06 0.00 0.00 -1.84 0.00 0.00 35.03 28.88 1aje n LYS 133 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1aje n GLN 134 N -3.72 0.00 -1.69 1.97 1.13 -1.26 -5.03 117.38 108.77 1aje n GLN 134 Ca 0.01 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.06 1aje n GLN 134 Cb 0.52 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.86 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 -0.77 -1.70 -1.09 4.76 -1.26 -4.82 118.16 113.28 1aje n LYS 135 Ca 0.00 0.99 -0.24 0.00 -2.87 0.00 0.00 58.31 56.20 1aje n LYS 135 Cb 0.00 -1.72 0.16 0.00 -1.84 0.00 0.00 35.03 31.63 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 0.26 -0.92 -1.61 1.97 -0.04 -1.26 -3.88 135.00 129.53 1aje n PRO 136 Ca -0.06 -1.82 -0.52 0.00 -0.04 0.00 0.00 63.50 61.06 1aje n PRO 136 Cb 0.09 -1.06 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 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 -3.40 0.36 -2.36 0.52 -0.00 0.09 -4.82 119.36 109.75 1aje n ILE 137 Ca 0.14 -0.15 -0.26 0.00 -0.00 0.00 0.00 62.75 62.48 1aje n ILE 137 Cb 0.49 -1.60 0.14 0.00 -0.00 0.00 0.00 39.64 38.66 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 5.13 2.07 -0.72 1.39 2.01 -1.26 -4.81 115.64 119.45 1aje s THR 138 Ca 1.01 -0.39 0.20 0.00 0.31 0.00 0.00 61.69 62.82 1aje s THR 138 Cb -0.86 -2.69 0.20 0.00 0.01 0.00 0.00 72.50 69.16 1aje s THR 138 CO 0.55 0.00 1.63 -0.81 -0.69 0.00 0.00 174.62 175.30 1aje n PRO 139 N -3.17 0.11 0.00 4.92 -0.04 -1.26 -1.83 135.00 133.73 1aje n PRO 139 Ca 0.15 0.33 0.11 0.00 -0.04 0.00 0.00 63.50 64.05 1aje n PRO 139 Cb 0.60 -1.71 0.05 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.92 1.59 0.00 0.54 1.02 -1.26 -4.05 120.64 116.57 1aje n GLU 140 Ca 0.03 -1.31 0.00 0.00 -0.02 0.00 0.00 57.16 55.86 1aje n GLU 140 Cb 0.22 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 1aje n GLU 140 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1aje n THR 141 N 0.44 0.00 0.27 2.62 -1.04 -0.76 -4.04 114.28 111.77 1aje n THR 141 Ca 0.11 0.46 -0.14 0.00 -2.04 0.00 0.00 64.05 62.44 1aje n THR 141 Cb 0.51 -1.46 -0.07 0.00 -1.82 0.00 0.00 70.33 67.49 1aje n THR 141 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1aje h ALA 142 N -2.00 -1.12 -0.57 2.41 0.00 -1.77 -0.73 119.26 115.48 1aje h ALA 142 Ca 0.00 -0.17 0.16 0.00 0.00 0.00 0.00 54.91 54.91 1aje h ALA 142 Cb 0.00 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1aje h ALA 142 CO 0.00 -1.11 0.57 0.93 0.00 0.00 0.00 179.25 179.64 1aje h GLU 143 N -0.83 0.00 -0.32 0.00 5.08 -1.78 0.36 114.58 117.09 1aje h GLU 143 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1aje h GLU 143 Cb 0.69 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1aje h GLU 143 CO 0.02 0.00 0.20 -0.22 -1.00 0.00 0.00 179.01 178.01 1aje h LYS 144 N 0.00 0.43 0.00 2.33 3.11 -1.28 -1.85 116.57 119.31 1aje h LYS 144 Ca 0.27 -0.03 -0.22 0.00 -2.81 0.00 0.00 60.65 57.85 1aje h LYS 144 Cb 1.41 -0.09 -0.04 0.00 -1.00 0.00 0.00 32.23 32.51 1aje h LYS 144 CO -0.00 0.32 -1.62 1.47 -2.81 0.00 0.00 179.45 176.81 1aje n LEU 145 N -4.84 0.77 0.30 5.20 -0.00 0.90 -3.28 117.00 116.06 1aje n LEU 145 Ca -0.01 0.35 0.17 0.00 -0.00 0.00 0.00 56.01 56.52 1aje n LEU 145 Cb 0.04 0.14 0.95 0.00 -0.00 0.00 0.00 43.42 44.55 1aje n LEU 145 CO 0.35 0.26 1.09 0.00 -0.00 0.00 0.00 177.39 179.09 1aje h ALA 146 N 1.25 1.23 0.00 1.47 0.00 -0.50 1.96 119.26 124.68 1aje h ALA 146 Ca -0.23 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1aje h ALA 146 Cb 1.78 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.56 1aje h ALA 146 CO 0.05 0.04 -0.16 -0.09 0.00 0.00 0.00 179.25 179.10 1aje h ARG 147 N 0.00 0.00 0.00 0.00 9.65 -1.39 1.61 114.38 124.24 1aje h ARG 147 Ca -0.00 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.74 1aje h ARG 147 Cb 0.14 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.70 1aje h ARG 147 CO 0.00 0.16 -0.80 0.22 2.80 0.00 0.00 179.97 182.35 1aje h ASP 148 N 0.00 0.00 0.00 -3.80 1.82 0.30 -3.37 116.42 111.37 1aje h ASP 148 Ca -0.00 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.51 1aje h ASP 148 Cb 1.09 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.08 1aje h ASP 148 CO 0.02 0.61 -1.47 0.18 -1.61 0.00 0.00 179.24 176.97 1aje n LEU 149 N -3.17 0.64 -3.33 2.28 4.77 0.30 -5.03 117.00 113.46 1aje n LEU 149 Ca -0.01 -0.01 -0.16 0.00 -0.03 0.00 0.00 56.01 55.80 1aje n LEU 149 Cb 0.80 0.07 0.08 0.00 -2.33 0.00 0.00 43.42 42.03 1aje n LEU 149 CO 0.42 0.27 0.07 0.29 -1.33 0.00 0.00 177.39 177.11 1aje n LYS 150 N -2.36 -4.33 0.00 3.23 4.01 0.55 -4.88 118.16 114.38 1aje n LYS 150 Ca -0.12 0.86 0.00 0.00 -0.51 0.00 0.00 58.31 58.54 1aje n LYS 150 Cb 0.71 -5.84 0.00 0.00 -0.51 0.00 0.00 35.03 29.39 1aje n LYS 150 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1aje n ALA 151 N -3.65 0.00 0.13 7.82 0.00 -1.25 -4.87 120.51 118.68 1aje n ALA 151 Ca -0.17 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.05 1aje n ALA 151 Cb 0.64 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.94 1aje n ALA 151 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1aje h VAL 152 N -1.47 1.37 -1.89 0.00 3.04 0.48 -3.47 116.25 114.30 1aje h VAL 152 Ca 0.00 -2.82 -0.02 0.00 -1.01 0.00 0.00 66.70 62.84 1aje h VAL 152 Cb 0.00 2.99 -0.20 0.00 -2.01 0.00 0.00 31.29 32.06 1aje h VAL 152 CO 0.00 0.84 0.27 -0.75 -1.01 0.00 0.00 177.57 176.92 1aje s LYS 153 N -2.65 0.92 -0.07 4.17 2.47 -1.10 -5.02 119.74 118.47 1aje s LYS 153 Ca -0.07 0.31 0.03 0.00 -1.56 0.00 0.00 55.97 54.68 1aje s LYS 153 Cb 0.05 0.44 0.01 0.00 -1.46 0.00 0.00 37.83 36.87 1aje s LYS 153 CO 0.92 -0.27 -0.15 -0.47 0.16 0.00 0.00 175.35 175.54 1aje s TYR 154 N -0.99 1.75 0.33 4.03 5.04 -1.25 -1.44 117.35 124.82 1aje s TYR 154 Ca -0.08 -0.68 -0.04 0.00 -2.44 0.00 0.00 57.07 53.84 1aje s TYR 154 Cb -0.01 -1.24 0.01 0.00 0.35 0.00 0.00 41.96 41.08 1aje s TYR 154 CO 0.07 -0.32 0.50 1.33 -1.34 0.00 0.00 175.55 175.79 1aje n VAL 155 N 3.74 0.00 -4.32 3.14 0.24 -1.06 -4.99 118.33 115.08 1aje n VAL 155 Ca -0.22 -1.54 -0.19 0.00 -2.04 0.00 0.00 64.34 60.35 1aje n VAL 155 Cb 0.52 1.00 -0.11 0.00 -1.47 0.00 0.00 33.84 33.78 1aje n VAL 155 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1aje s GLU 156 N -2.64 1.24 0.00 7.34 2.02 -1.26 -1.83 118.70 123.58 1aje s GLU 156 Ca 0.25 -1.46 0.00 0.00 0.02 0.00 0.00 54.97 53.78 1aje s GLU 156 Cb -0.01 -1.13 0.00 0.00 0.10 0.00 0.00 34.13 33.08 1aje s GLU 156 CO 0.18 0.21 0.00 0.00 0.02 0.00 0.00 175.26 175.67 1aje s SER 158 N 0.00 6.11 0.33 0.00 0.15 -1.25 -4.24 113.70 114.80 1aje s SER 158 Ca 0.00 2.37 0.13 0.00 0.70 0.00 0.00 55.95 59.15 1aje s SER 158 Cb 0.00 -2.61 1.05 0.00 -1.71 0.00 0.00 66.02 62.75 1aje s SER 158 CO 0.00 -0.96 1.49 0.00 1.20 0.00 0.00 173.24 174.97 1aje n ALA 159 N -0.48 0.77 0.02 5.45 0.00 -0.15 -0.07 120.51 126.06 1aje n ALA 159 Ca 0.07 0.99 0.09 0.00 0.00 0.00 0.00 53.44 54.59 1aje n ALA 159 Cb 0.47 -0.87 -0.11 0.00 0.00 0.00 0.00 19.45 18.94 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 -5.25 0.33 0.24 0.00 -0.00 -1.26 -4.50 117.00 106.56 1aje n LEU 160 Ca 0.30 0.13 -0.12 0.00 -0.00 0.00 0.00 56.01 56.33 1aje n LEU 160 Cb 1.02 0.02 -0.06 0.00 -0.00 0.00 0.00 43.42 44.40 1aje n LEU 160 CO -0.02 -0.01 0.52 0.74 -0.00 0.00 0.00 177.39 178.61 1aje h THR 161 N 0.00 0.00 -0.47 1.47 2.02 -0.82 -3.48 112.91 111.64 1aje h THR 161 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1aje h THR 161 Cb 1.13 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1aje h THR 161 CO 0.01 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.90 1aje n GLN 162 N -4.30 0.00 0.02 6.66 1.13 -1.13 -4.94 117.38 114.81 1aje n GLN 162 Ca -0.09 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.10 1aje n GLN 162 Cb 0.31 -2.59 0.41 0.00 0.11 0.00 0.00 30.24 28.48 1aje n GLN 162 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1aje n LYS 163 N -0.70 0.06 0.00 -1.09 2.85 -1.26 -4.44 118.16 113.58 1aje n LYS 163 Ca 0.00 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 1aje n LYS 163 Cb 0.44 -1.55 0.00 0.00 -0.65 0.00 0.00 35.03 33.26 1aje n LYS 163 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1aje n GLY 164 N 1.46 0.85 0.25 2.58 0.00 -1.24 -4.94 105.19 104.15 1aje n GLY 164 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 1aje n GLY 164 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1aje h LEU 165 N 0.00 0.52 -0.41 0.99 5.85 -1.81 1.90 115.31 122.34 1aje h LEU 165 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1aje h LEU 165 Cb 0.36 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1aje h LEU 165 CO 0.00 0.34 0.00 1.17 -0.34 0.00 0.00 178.44 179.61 1aje n LYS 166 N -4.80 0.08 -0.09 1.25 3.00 -1.26 0.13 118.16 116.48 1aje n LYS 166 Ca 0.08 0.39 -0.23 0.00 -0.00 0.00 0.00 58.31 58.55 1aje n LYS 166 Cb 0.16 -1.68 -0.12 0.00 0.00 0.00 0.00 35.03 33.39 1aje n LYS 166 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1aje n ASN 167 N -1.84 1.98 0.23 3.14 5.15 0.33 -2.04 115.26 122.20 1aje n ASN 167 Ca 0.02 0.24 -0.15 0.00 -0.60 0.00 0.00 54.58 54.09 1aje n ASN 167 Cb 0.15 -0.80 -0.08 0.00 -0.53 0.00 0.00 39.78 38.51 1aje n ASN 167 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1aje h VAL 168 N -0.54 0.61 -1.00 3.44 2.07 0.30 0.89 116.25 122.02 1aje h VAL 168 Ca -0.50 -0.19 0.21 0.00 0.82 0.00 0.00 66.70 67.03 1aje h VAL 168 Cb 1.68 0.70 -0.11 0.00 -1.52 0.00 0.00 31.29 32.04 1aje h VAL 168 CO -0.16 0.04 0.60 -0.26 0.02 0.00 0.00 177.57 177.81 1aje h PHE 169 N -0.65 1.05 -0.23 1.57 0.04 0.97 2.67 116.94 122.35 1aje h PHE 169 Ca -0.06 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.65 1aje h PHE 169 Cb 0.48 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1aje h PHE 169 CO -0.02 0.18 -0.27 -0.44 -0.60 0.00 0.00 178.31 177.16 1aje h ASP 170 N 0.71 0.45 0.26 2.17 5.19 -0.62 -2.25 116.42 122.32 1aje h ASP 170 Ca 0.60 -0.16 -0.01 0.00 -0.62 0.00 0.00 57.03 56.84 1aje h ASP 170 Cb 0.99 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.38 1aje h ASP 170 CO -0.41 0.71 -0.12 -0.33 -3.12 0.00 0.00 179.24 175.97 1aje h GLU 171 N 0.39 -0.33 -0.97 3.56 4.39 1.10 0.39 114.58 123.10 1aje h GLU 171 Ca 0.06 0.02 0.29 0.00 0.34 0.00 0.00 59.36 60.07 1aje h GLU 171 Cb 0.68 0.08 -0.18 0.00 -0.10 0.00 0.00 28.75 29.24 1aje h GLU 171 CO 0.05 -0.22 0.15 0.00 -1.16 0.00 0.00 179.01 177.83 1aje h ALA 172 N -1.42 1.35 -0.31 3.43 0.00 0.34 3.20 119.26 125.86 1aje h ALA 172 Ca -0.04 0.31 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 1aje h ALA 172 Cb 0.26 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1aje h ALA 172 CO 0.06 -0.62 -0.30 0.82 0.00 0.00 0.00 179.25 179.21 1aje h ILE 173 N 0.04 1.29 0.00 0.00 5.03 -1.45 0.11 117.51 122.54 1aje h ILE 173 Ca 0.63 -1.47 0.00 0.00 -0.12 0.00 0.00 64.86 63.90 1aje h ILE 173 Cb 1.38 1.53 0.00 0.00 -3.03 0.00 0.00 36.82 36.70 1aje h ILE 173 CO -0.85 0.48 0.00 0.25 -0.68 0.00 0.00 178.15 177.35 1aje h LEU 174 N 0.51 0.00 0.00 1.44 7.12 0.70 1.02 115.31 126.11 1aje h LEU 174 Ca 0.05 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.06 1aje h LEU 174 Cb 0.88 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.01 1aje h LEU 174 CO 0.08 0.00 -1.01 0.00 -0.13 0.00 0.00 178.44 177.38 1aje n ALA 175 N -1.80 3.77 0.15 1.25 0.00 0.94 -2.13 120.51 122.69 1aje n ALA 175 Ca 0.01 -0.46 0.02 0.00 0.00 0.00 0.00 53.44 53.01 1aje n ALA 175 Cb 0.17 -0.92 -0.01 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.72 2.43 -0.09 0.00 0.00 0.46 -1.58 120.51 120.02 1aje n ALA 176 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1aje n ALA 176 Cb 0.40 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.88 0.06 -0.48 0.00 -0.00 0.33 -4.99 117.00 111.03 1aje n LEU 177 Ca 0.01 -0.23 0.00 0.00 -0.00 0.00 0.00 56.01 55.79 1aje n LEU 177 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.48 1aje n LEU 177 CO 0.06 0.01 0.00 -1.84 -0.00 0.00 0.00 177.39 175.62 1aje n GLU 178 N -0.34 -0.17 -2.50 1.47 -0.00 -0.91 -4.78 120.64 113.41 1aje n GLU 178 Ca 0.00 0.16 -0.42 0.00 -0.00 0.00 0.00 57.16 56.90 1aje n GLU 178 Cb 0.02 -0.13 -0.03 0.00 -0.00 0.00 0.00 31.44 31.31 1aje n GLU 178 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1aje s PRO 179 N 0.00 4.46 0.54 3.44 0.04 -1.26 -5.02 135.00 137.19 1aje s PRO 179 Ca 0.00 1.66 -0.19 0.00 0.04 0.00 0.00 61.00 62.52 1aje s PRO 179 Cb 0.00 -3.40 -0.06 0.00 0.04 0.00 0.00 34.50 31.08 1aje s PRO 179 CO 0.00 -0.22 1.07 -1.25 0.04 0.00 0.00 177.00 176.64 1aje s PRO 180 N 1.18 3.50 -0.02 0.56 0.04 -1.26 -4.33 135.00 134.67 1aje s PRO 180 Ca 0.57 1.40 -0.01 0.00 0.04 0.00 0.00 61.00 62.99 1aje s PRO 180 Cb -0.27 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1aje s PRO 180 CO 0.28 -0.69 0.02 0.39 0.04 0.00 0.00 177.00 177.05 1aje n GLU 181 N -1.38 -0.07 -1.14 4.56 1.02 -1.26 -4.64 120.64 117.73 1aje n GLU 181 Ca 0.10 0.06 -0.32 0.00 -0.02 0.00 0.00 57.16 56.97 1aje n GLU 181 Cb 0.52 -0.08 -0.04 0.00 -0.02 0.00 0.00 31.44 31.82 1aje n GLU 181 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1aje n PRO 182 N 0.05 3.14 -4.27 3.49 -0.04 -1.26 -4.88 135.00 131.23 1aje n PRO 182 Ca -0.00 -1.89 -0.30 0.00 -0.04 0.00 0.00 63.50 61.26 1aje n PRO 182 Cb 0.03 -2.63 -0.10 0.00 -0.04 0.00 0.00 33.50 30.76 1aje n PRO 182 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1aje s LYS 183 N 2.35 2.18 -0.10 0.54 -0.14 -1.26 -5.12 119.74 118.19 1aje s LYS 183 Ca 0.62 -0.99 -0.12 0.00 -1.36 0.00 0.00 55.97 54.12 1aje s LYS 183 Cb 0.17 -2.33 -0.05 0.00 -1.68 0.00 0.00 37.83 33.95 1aje s LYS 183 CO -0.05 0.52 0.28 0.15 -0.76 0.00 0.00 175.35 175.49 1aje s LYS 184 N -2.10 3.93 -0.43 1.68 -0.14 -1.26 -4.99 119.74 116.43 1aje s LYS 184 Ca 0.21 0.12 0.04 0.00 -1.36 0.00 0.00 55.97 54.98 1aje s LYS 184 Cb -0.11 -3.30 0.49 0.00 -1.68 0.00 0.00 37.83 33.22 1aje s LYS 184 CO 0.13 0.52 1.60 0.43 -0.76 0.00 0.00 175.35 177.27 1aje n SER 185 N 2.62 5.13 -4.47 2.83 7.64 -1.26 -4.91 113.62 121.20 1aje n SER 185 Ca -0.15 -3.77 -0.44 0.00 1.01 0.00 0.00 58.87 55.53 1aje n SER 185 Cb 0.53 -0.67 -0.01 0.00 -1.01 0.00 0.00 64.21 63.05 1aje n SER 185 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1aje s ARG 186 N -3.57 3.90 0.00 1.43 3.52 -1.26 -5.37 118.95 117.60 1aje s ARG 186 Ca 0.55 -2.21 0.00 0.00 -0.13 0.00 0.00 55.73 53.94 1aje s ARG 186 Cb 0.45 -5.06 0.00 0.00 -1.56 0.00 0.00 34.95 28.78 1aje s ARG 186 CO 0.02 -1.82 0.00 -2.13 -0.81 0.00 0.00 175.30 170.55