#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 5.89 -1.28 1.61 0.01 -1.26 -5.02 113.70 113.65 1aje s SER -6 Ca 0.00 -0.04 -0.12 0.00 1.31 0.00 0.00 55.95 57.10 1aje s SER -6 Cb 0.00 -1.64 0.15 0.00 0.21 0.00 0.00 66.02 64.74 1aje s SER -6 CO 0.00 0.01 1.77 0.29 0.41 0.00 0.00 173.24 175.72 1aje n LYS -5 N -0.79 3.43 -1.82 12.44 5.02 -1.26 -4.98 118.16 130.19 1aje n LYS -5 Ca -0.08 -3.51 -0.41 0.00 -2.02 0.00 0.00 58.31 52.29 1aje n LYS -5 Cb 0.56 -3.05 -0.01 0.00 -0.02 0.00 0.00 35.03 32.51 1aje n LYS -5 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1aje s ILE -4 N 1.36 2.15 1.18 -0.18 1.09 -1.26 -4.95 121.20 120.59 1aje s ILE -4 Ca 0.43 0.13 -0.17 0.00 -1.10 0.00 0.00 60.65 59.93 1aje s ILE -4 Cb 0.06 -3.08 0.23 0.00 -1.06 0.00 0.00 42.46 38.61 1aje s ILE -4 CO -0.00 0.02 0.47 -0.38 -0.10 0.00 0.00 174.94 174.96 1aje n ILE -3 N 1.82 0.00 -4.49 2.92 -0.00 -1.11 -4.96 119.36 113.53 1aje n ILE -3 Ca 0.06 -0.13 -0.24 0.00 -0.00 0.00 0.00 62.75 62.45 1aje n ILE -3 Cb 0.38 -0.70 -0.10 0.00 -0.00 0.00 0.00 39.64 39.23 1aje n ILE -3 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.55 176.11 1aje s SER -2 N -2.29 2.61 -0.33 4.38 0.01 -1.26 -4.07 113.70 112.75 1aje s SER -2 Ca 0.52 -1.50 -0.18 0.00 1.31 0.00 0.00 55.95 56.10 1aje s SER -2 Cb -0.11 0.16 -0.19 0.00 0.21 0.00 0.00 66.02 66.09 1aje s SER -2 CO 0.49 -0.73 1.62 0.00 0.41 0.00 0.00 173.24 175.03 1aje n ALA -1 N -0.80 2.07 -0.25 1.44 0.00 -1.14 -4.24 120.51 117.59 1aje n ALA -1 Ca -0.05 -2.16 0.11 0.00 0.00 0.00 0.00 53.44 51.34 1aje n ALA -1 Cb 0.66 -3.34 0.28 0.00 0.00 0.00 0.00 19.45 17.05 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 6.53 2.70 -0.09 0.00 2.00 -1.25 -4.49 117.12 122.53 1aje n MET 1 Ca 0.37 -2.50 -0.14 0.00 0.00 0.00 0.00 57.70 55.42 1aje n MET 1 Cb 0.28 -1.51 -0.07 0.00 0.00 0.00 0.00 33.22 31.92 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 1.44 0.41 -2.71 0.03 1.13 -1.26 -5.09 117.38 111.32 1aje n GLN 2 Ca 0.22 0.12 -0.04 0.00 -1.94 0.00 0.00 57.00 55.35 1aje n GLN 2 Cb 0.59 -1.27 -0.04 0.00 0.11 0.00 0.00 30.24 29.63 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 -3.26 -9.99 -4.33 5.09 -1.04 -1.26 -4.94 114.28 94.55 1aje n THR 3 Ca -0.32 2.12 -0.24 0.00 -2.04 0.00 0.00 64.05 63.58 1aje n THR 3 Cb 0.80 -5.54 -0.08 0.00 -1.82 0.00 0.00 70.33 63.69 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 -0.50 2.94 -0.02 12.58 1.09 0.41 -4.73 121.20 132.98 1aje s ILE 4 Ca -0.22 -2.01 -0.00 0.00 -1.10 0.00 0.00 60.65 57.32 1aje s ILE 4 Cb 0.01 -2.74 0.02 0.00 -1.06 0.00 0.00 42.46 38.69 1aje s ILE 4 CO 0.59 -0.30 0.04 -0.54 -0.10 0.00 0.00 174.94 174.62 1aje s LYS 5 N -3.67 -0.01 0.04 2.79 -0.14 -1.26 0.15 119.74 117.63 1aje s LYS 5 Ca 0.33 0.15 0.09 0.00 -1.36 0.00 0.00 55.97 55.18 1aje s LYS 5 Cb -0.04 -0.15 -0.03 0.00 -1.68 0.00 0.00 37.83 35.93 1aje s LYS 5 CO 0.19 -0.11 -0.25 0.00 -0.76 0.00 0.00 175.35 174.42 1aje s VAL 7 N -0.77 3.80 0.26 0.00 1.01 0.13 -2.56 120.40 122.26 1aje s VAL 7 Ca 0.11 -1.32 -0.30 0.00 0.00 0.00 0.00 61.98 60.47 1aje s VAL 7 Cb -0.10 -3.25 -0.09 0.00 0.00 0.00 0.00 36.38 32.94 1aje s VAL 7 CO 0.02 -0.32 0.99 -0.69 0.00 0.00 0.00 175.10 175.10 1aje s VAL 8 N 1.37 3.88 0.08 2.92 1.01 -0.90 0.01 120.40 128.77 1aje s VAL 8 Ca 0.00 1.88 0.06 0.00 0.00 0.00 0.00 61.98 63.93 1aje s VAL 8 Cb -0.21 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 1aje s VAL 8 CO 0.02 0.44 -0.16 0.68 0.00 0.00 0.00 175.10 176.07 1aje s VAL 9 N -1.19 1.31 0.00 2.92 -7.23 -0.34 -4.75 120.40 111.12 1aje s VAL 9 Ca 0.42 -1.40 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 1aje s VAL 9 Cb -0.28 -1.25 0.00 0.00 0.56 0.00 0.00 36.38 35.41 1aje s VAL 9 CO 0.35 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.56 1aje n GLY 10 N 1.17 -0.90 0.05 2.32 0.00 -1.26 -2.94 105.19 103.63 1aje n GLY 10 Ca -0.20 -1.65 0.01 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.60 0.63 -2.99 1.61 9.92 -1.26 -4.86 116.55 118.00 1aje n ASP 11 Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.25 1aje n ASP 11 Cb 0.00 1.41 -0.01 0.00 -0.64 0.00 0.00 41.12 41.88 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 1.66 -1.39 2.24 0.44 0.00 -1.26 -1.42 105.19 105.47 1aje n GLY 12 Ca -0.16 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1aje n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aje n ALA 13 N 1.88 -0.86 -1.84 4.61 0.00 -1.26 0.26 120.51 123.29 1aje n ALA 13 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.22 1aje n ALA 13 Cb 0.25 -0.44 -0.04 0.00 0.00 0.00 0.00 19.45 19.22 1aje n ALA 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1aje n VAL 14 N -2.20 -0.29 -3.12 0.00 0.31 -0.51 -4.86 118.33 107.66 1aje n VAL 14 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.12 1aje n VAL 14 Cb 0.43 -1.67 -0.04 0.00 -0.91 0.00 0.00 33.84 31.66 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 -0.51 4.18 0.00 2.92 0.00 0.14 -4.85 105.19 107.07 1aje n GLY 15 Ca -0.16 -2.02 0.03 0.00 0.00 0.00 0.00 46.02 43.87 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 0.19 0.84 0.15 1.61 -0.00 -1.25 -1.66 118.16 118.05 1aje n LYS 16 Ca 0.27 -0.05 -0.07 0.00 -0.00 0.00 0.00 58.31 58.46 1aje n LYS 16 Cb 0.57 -1.10 -0.03 0.00 -0.00 0.00 0.00 35.03 34.47 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 -0.94 0.58 2.02 -1.90 -1.88 112.91 110.78 1aje h THR 17 Ca 0.00 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.45 1aje h THR 17 Cb 0.27 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.64 1aje h THR 17 CO 0.00 0.00 1.11 0.00 0.37 0.00 0.00 175.52 177.00 1aje n LEU 19 N -3.31 0.13 -0.32 0.00 -0.00 -0.72 -0.38 117.00 112.40 1aje n LEU 19 Ca 0.21 0.79 0.21 0.00 -0.00 0.00 0.00 56.01 57.22 1aje n LEU 19 Cb 1.40 -0.40 0.48 0.00 -0.00 0.00 0.00 43.42 44.90 1aje n LEU 19 CO 0.24 -0.40 1.21 0.17 -0.00 0.00 0.00 177.39 178.61 1aje h LEU 20 N 0.00 0.49 0.17 -1.96 8.10 -0.56 -0.43 115.31 121.13 1aje h LEU 20 Ca 0.00 0.09 0.01 0.00 0.11 0.00 0.00 57.88 58.08 1aje h LEU 20 Cb 0.00 0.01 -0.04 0.00 -0.44 0.00 0.00 40.66 40.19 1aje h LEU 20 CO 0.00 0.11 -0.47 0.40 -4.11 0.00 0.00 178.44 174.37 1aje h ILE 21 N 0.44 0.00 -0.89 0.15 1.08 -0.13 -0.34 117.51 117.82 1aje h ILE 21 Ca 0.59 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 65.22 1aje h ILE 21 Cb 1.41 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 35.09 1aje h ILE 21 CO -0.31 0.00 0.58 0.28 -0.69 0.00 0.00 178.15 178.01 1aje h SER 22 N -0.72 0.61 -0.45 1.72 0.02 0.95 3.11 113.55 118.79 1aje h SER 22 Ca -0.02 0.04 0.13 0.00 -0.84 0.00 0.00 61.79 61.11 1aje h SER 22 Cb 0.70 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 1aje h SER 22 CO -0.22 0.29 0.42 0.22 -1.14 0.00 0.00 176.83 176.40 1aje h TYR 23 N 0.63 0.00 0.00 3.45 5.03 -0.36 3.45 116.97 129.17 1aje h TYR 23 Ca 0.46 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.70 1aje h TYR 23 Cb 0.81 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.08 1aje h TYR 23 CO -0.00 0.00 -1.24 0.25 -1.32 0.00 0.00 178.16 175.84 1aje n THR 24 N -3.93 0.24 0.63 1.81 -2.24 0.32 -4.66 114.28 106.46 1aje n THR 24 Ca 0.08 -0.12 0.07 0.00 -2.27 0.00 0.00 64.05 61.81 1aje n THR 24 Cb 0.61 -0.80 -0.09 0.00 -2.10 0.00 0.00 70.33 67.95 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 -2.35 0.00 -2.14 4.28 -2.24 0.96 -4.94 114.28 107.84 1aje n THR 25 Ca -0.07 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1aje n THR 25 Cb 0.60 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 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 -1.44 -0.81 -3.21 3.42 2.85 1.14 -4.75 115.26 112.46 1aje n ASN 26 Ca 0.02 0.41 -0.00 0.00 -0.11 0.00 0.00 54.58 54.90 1aje n ASN 26 Cb 0.26 -0.84 -0.02 0.00 1.24 0.00 0.00 39.78 40.43 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 -4.15 0.62 0.18 1.20 2.20 -1.26 -4.86 119.74 113.66 1aje s LYS 27 Ca 0.00 0.16 -0.12 0.00 -0.36 0.00 0.00 55.97 55.65 1aje s LYS 27 Cb 0.00 0.06 -0.07 0.00 -1.51 0.00 0.00 37.83 36.31 1aje s LYS 27 CO 0.00 -1.10 0.54 -0.59 -0.36 0.00 0.00 175.35 173.84 1aje s PHE 28 N 2.41 3.53 -0.54 4.03 -0.71 -1.26 -4.83 117.98 120.61 1aje s PHE 28 Ca 0.12 0.96 -0.02 0.00 -1.04 0.00 0.00 56.93 56.96 1aje s PHE 28 Cb -0.09 -2.31 0.28 0.00 -1.21 0.00 0.00 43.02 39.69 1aje s PHE 28 CO -0.20 0.37 2.17 -0.35 -1.34 0.00 0.00 175.22 175.87 1aje n PRO 29 N 0.41 2.35 0.00 1.99 -0.04 -1.26 -4.89 135.00 133.56 1aje n PRO 29 Ca -0.03 -2.57 0.00 0.00 -0.04 0.00 0.00 63.50 60.86 1aje n PRO 29 Cb 0.52 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 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 -0.10 0.00 -2.82 3.54 3.41 -1.26 -4.00 113.62 112.39 1aje n SER 30 Ca 0.48 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.88 1aje n SER 30 Cb 0.55 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.48 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 2.30 -0.07 4.33 -0.58 -1.26 -5.03 120.64 120.33 1aje n GLU 31 Ca 0.00 -4.08 0.00 0.00 -0.42 0.00 0.00 57.16 52.66 1aje n GLU 31 Cb 0.00 -1.90 0.00 0.00 -0.57 0.00 0.00 31.44 28.97 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 -0.14 0.00 -0.01 -0.32 9.36 -1.26 -4.93 117.16 119.87 1aje n TYR 32 Ca 0.27 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.50 1aje n TYR 32 Cb 0.62 -0.03 -0.03 0.00 -0.63 0.00 0.00 39.34 39.26 1aje n TYR 32 CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 1aje n VAL 33 N 1.40 0.07 -1.98 2.97 3.14 -1.26 -4.95 118.33 117.72 1aje n VAL 33 Ca 0.00 -0.12 -0.40 0.00 -2.96 0.00 0.00 64.34 60.86 1aje n VAL 33 Cb 0.00 0.06 -0.03 0.00 -1.06 0.00 0.00 33.84 32.81 1aje n VAL 33 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1aje s PRO 34 N -2.24 2.88 0.00 1.45 0.04 -1.26 -4.79 135.00 131.08 1aje s PRO 34 Ca -0.02 1.04 0.09 0.00 0.04 0.00 0.00 61.00 62.16 1aje s PRO 34 Cb 0.02 -4.32 0.56 0.00 0.04 0.00 0.00 34.50 30.80 1aje s PRO 34 CO 0.17 -2.41 1.35 0.25 0.04 0.00 0.00 177.00 176.41 1aje n THR 35 N 7.38 0.00 -1.19 1.26 -2.24 -1.26 -4.89 114.28 113.33 1aje n THR 35 Ca 0.23 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.65 1aje n THR 35 Cb 0.50 -0.15 0.08 0.00 -2.10 0.00 0.00 70.33 68.65 1aje n THR 35 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1aje n VAL 36 N -0.65 1.51 -3.72 2.28 3.14 -1.26 -5.01 118.33 114.62 1aje n VAL 36 Ca 0.07 -0.37 -0.14 0.00 -2.96 0.00 0.00 64.34 60.94 1aje n VAL 36 Cb 0.03 -0.71 -0.15 0.00 -1.06 0.00 0.00 33.84 31.96 1aje n VAL 36 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 1aje s PHE 37 N -1.98 -0.19 0.00 1.45 5.36 -1.26 -5.14 117.98 116.22 1aje s PHE 37 Ca 0.64 0.55 0.00 0.00 -0.96 0.00 0.00 56.93 57.16 1aje s PHE 37 Cb -0.33 -0.12 0.00 0.00 -0.34 0.00 0.00 43.02 42.23 1aje s PHE 37 CO 0.60 -0.20 0.00 -0.40 -1.46 0.00 0.00 175.22 173.75 1aje n ASP 38 N 4.53 0.00 0.28 6.13 5.68 -1.26 -5.01 116.55 126.90 1aje n ASP 38 Ca -0.20 -0.37 0.14 0.00 -0.50 0.00 0.00 54.79 53.86 1aje n ASP 38 Cb 0.51 0.00 0.85 0.00 -1.14 0.00 0.00 41.12 41.34 1aje n ASP 38 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1aje h ASN 39 N 0.00 0.00 -1.72 -1.12 -0.26 -2.02 -3.45 115.58 107.01 1aje h ASN 39 Ca 0.00 0.00 -0.42 0.00 -0.56 0.00 0.00 56.30 55.32 1aje h ASN 39 Cb 0.00 0.00 -0.12 0.00 -1.06 0.00 0.00 38.32 37.14 1aje h ASN 39 CO 0.00 0.00 -0.44 -1.22 -1.06 0.00 0.00 177.43 174.71 1aje n TYR 40 N -4.00 -0.36 -3.59 1.19 4.01 -1.26 -4.68 117.16 108.47 1aje n TYR 40 Ca -0.02 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.31 1aje n TYR 40 Cb 0.11 -3.66 -0.09 0.00 -0.31 0.00 0.00 39.34 35.39 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 -2.86 3.35 0.53 -0.72 0.00 -1.23 -2.67 121.76 118.16 1aje s ALA 41 Ca 0.00 -2.47 0.05 0.00 0.00 0.00 0.00 51.96 49.54 1aje s ALA 41 Cb 0.00 -2.75 0.05 0.00 0.00 0.00 0.00 23.12 20.42 1aje s ALA 41 CO 0.00 -1.85 0.73 0.14 0.00 0.00 0.00 175.76 174.78 1aje s VAL 42 N 1.35 2.62 -0.27 0.00 -7.23 -0.90 -4.46 120.40 111.51 1aje s VAL 42 Ca 0.05 -0.84 -0.14 0.00 -1.81 0.00 0.00 61.98 59.25 1aje s VAL 42 Cb -0.25 -2.79 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 1aje s VAL 42 CO -0.01 0.00 0.32 -0.89 -0.31 0.00 0.00 175.10 174.21 1aje s THR 43 N -2.65 5.22 0.24 5.32 2.01 -1.26 -0.91 115.64 123.62 1aje s THR 43 Ca 0.58 0.45 0.03 0.00 0.31 0.00 0.00 61.69 63.07 1aje s THR 43 Cb -0.09 -3.65 0.03 0.00 0.01 0.00 0.00 72.50 68.80 1aje s THR 43 CO 0.37 0.19 0.24 0.52 -0.69 0.00 0.00 174.62 175.25 1aje n VAL 44 N 5.09 0.00 -3.67 3.82 0.31 -1.02 -4.85 118.33 118.02 1aje n VAL 44 Ca -0.10 -0.91 -0.11 0.00 -0.01 0.00 0.00 64.34 63.21 1aje n VAL 44 Cb 0.51 -0.48 -0.12 0.00 -0.91 0.00 0.00 33.84 32.84 1aje n VAL 44 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 1aje s MET 45 N -3.04 0.23 -0.15 5.55 -1.94 -1.25 -2.05 119.30 116.65 1aje s MET 45 Ca 0.18 0.85 -0.07 0.00 -1.71 0.00 0.00 55.69 54.95 1aje s MET 45 Cb -0.01 0.11 -0.24 0.00 2.01 0.00 0.00 34.83 36.69 1aje s MET 45 CO 0.12 -0.26 0.27 -0.89 -0.01 0.00 0.00 175.02 174.24 1aje n ILE 46 N 5.27 1.73 -2.23 2.53 -0.00 -1.10 -4.74 119.36 120.82 1aje n ILE 46 Ca -0.09 -0.61 -0.05 0.00 -0.00 0.00 0.00 62.75 62.01 1aje n ILE 46 Cb 0.50 -1.71 -0.01 0.00 -0.00 0.00 0.00 39.64 38.42 1aje n ILE 46 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1aje n GLY 47 N 1.99 0.96 0.00 7.39 0.00 -1.26 -4.92 105.19 109.35 1aje n GLY 47 Ca -0.34 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.35 1.23 3.20 -0.02 0.00 -1.26 -5.04 105.19 102.94 1aje n GLY 48 Ca -0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.43 2.08 -0.10 1.61 8.01 -1.26 -2.77 118.70 125.83 1aje s GLU 49 Ca 0.00 -0.74 -0.16 0.00 0.01 0.00 0.00 54.97 54.08 1aje s GLU 49 Cb 0.00 -1.81 -0.05 0.00 -4.31 0.00 0.00 34.13 27.97 1aje s GLU 49 CO 0.00 0.32 0.40 -1.25 0.01 0.00 0.00 175.26 174.74 1aje s PRO 50 N -0.10 4.20 -0.18 0.39 0.04 -1.25 -2.70 135.00 135.40 1aje s PRO 50 Ca -0.02 0.32 -0.03 0.00 0.04 0.00 0.00 61.00 61.31 1aje s PRO 50 Cb -0.12 -3.38 0.06 0.00 0.04 0.00 0.00 34.50 31.10 1aje s PRO 50 CO 0.02 0.32 0.03 0.71 0.04 0.00 0.00 177.00 178.13 1aje s TYR 51 N 0.13 0.95 0.74 0.56 2.02 -0.87 -2.88 117.35 118.00 1aje s TYR 51 Ca 0.22 -0.74 -0.14 0.00 -0.37 0.00 0.00 57.07 56.04 1aje s TYR 51 Cb -0.15 -0.99 0.04 0.00 -0.40 0.00 0.00 41.96 40.47 1aje s TYR 51 CO 0.09 -0.57 1.18 0.99 -1.57 0.00 0.00 175.55 175.68 1aje s THR 52 N 1.88 2.45 -0.15 -0.71 2.01 -1.24 -2.43 115.64 117.46 1aje s THR 52 Ca 0.00 0.21 -0.07 0.00 0.31 0.00 0.00 61.69 62.14 1aje s THR 52 Cb -0.16 -2.72 0.06 0.00 0.01 0.00 0.00 72.50 69.68 1aje s THR 52 CO -0.08 -0.13 0.34 -1.48 -0.69 0.00 0.00 174.62 172.58 1aje s LEU 53 N -5.26 -0.01 -0.57 4.42 -0.00 -0.08 0.16 118.68 117.33 1aje s LEU 53 Ca 0.72 0.74 -0.16 0.00 -0.00 0.00 0.00 54.13 55.43 1aje s LEU 53 Cb -0.27 1.05 0.14 0.00 -0.00 0.00 0.00 46.19 47.11 1aje s LEU 53 CO 0.46 -0.19 0.54 -0.83 -0.00 0.00 0.00 176.35 176.33 1aje s GLY 54 N 1.62 2.13 -0.37 -3.48 0.00 0.39 -2.13 107.32 105.48 1aje s GLY 54 Ca -0.07 -2.60 -0.18 0.00 0.00 0.00 0.00 44.72 41.86 1aje s GLY 54 CO -0.11 1.23 0.52 -2.27 0.00 0.00 0.00 173.10 172.48 1aje s LEU 55 N 1.52 4.44 0.32 0.66 2.96 -1.09 0.58 118.68 128.07 1aje s LEU 55 Ca 0.05 -0.17 0.04 0.00 -0.22 0.00 0.00 54.13 53.84 1aje s LEU 55 Cb -0.28 -2.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.81 1aje s LEU 55 CO 0.02 -0.54 0.32 0.72 -1.32 0.00 0.00 176.35 175.55 1aje s PHE 56 N 2.43 1.52 -0.59 5.38 -0.12 -1.06 -4.92 117.98 120.63 1aje s PHE 56 Ca 0.18 -1.54 0.07 0.00 -0.05 0.00 0.00 56.93 55.59 1aje s PHE 56 Cb -0.15 -0.53 -0.01 0.00 -0.63 0.00 0.00 43.02 41.69 1aje s PHE 56 CO 0.14 -0.92 0.48 -0.40 -0.05 0.00 0.00 175.22 174.47 1aje n ASP 57 N -1.41 0.89 -4.41 1.98 5.75 -1.26 -2.11 116.55 115.98 1aje n ASP 57 Ca 0.05 -0.94 -0.30 0.00 -0.01 0.00 0.00 54.79 53.59 1aje n ASP 57 Cb 0.62 0.56 -0.13 0.00 -1.03 0.00 0.00 41.12 41.14 1aje n ASP 57 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1aje s THR 58 N -1.19 2.47 0.00 2.12 2.01 -1.26 -4.90 115.64 114.89 1aje s THR 58 Ca 0.05 -1.37 0.00 0.00 0.31 0.00 0.00 61.69 60.68 1aje s THR 58 Cb 0.06 -2.03 0.00 0.00 0.01 0.00 0.00 72.50 70.54 1aje s THR 58 CO 0.20 0.30 0.00 0.00 -0.69 0.00 0.00 174.62 174.42 1aje n ALA 59 N 1.49 0.45 -0.54 7.40 0.00 -1.26 -4.97 120.51 123.07 1aje n ALA 59 Ca -0.17 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1aje n ALA 59 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 2.22 1.13 2.49 0.00 0.00 -1.26 -4.90 105.19 104.87 1aje n GLY 60 Ca 0.00 0.35 -0.03 0.00 0.00 0.00 0.00 46.02 46.35 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 -4.54 -0.12 1.61 -0.06 -1.26 -4.76 117.38 108.26 1aje n GLN 61 Ca 0.00 3.36 0.18 0.00 -2.00 0.00 0.00 57.00 58.54 1aje n GLN 61 Cb 0.00 -4.51 0.59 0.00 -4.06 0.00 0.00 30.24 22.25 1aje n GLN 61 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 1aje h GLU 62 N 4.27 0.24 -1.57 3.69 5.08 -2.00 -3.44 114.58 120.84 1aje h GLU 62 Ca -0.26 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 57.92 1aje h GLU 62 Cb 0.59 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 1aje h GLU 62 CO 0.00 0.16 -0.15 -3.47 -1.00 0.00 0.00 179.01 174.56 1aje n ASP 63 N -4.43 -2.12 -0.26 1.42 2.03 -1.26 -4.71 116.55 107.21 1aje n ASP 63 Ca 0.14 0.19 0.33 0.00 0.52 0.00 0.00 54.79 55.97 1aje n ASP 63 Cb 0.61 -2.16 0.73 0.00 -0.72 0.00 0.00 41.12 39.57 1aje n ASP 63 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1aje h TYR 64 N 0.00 0.00 -2.64 -0.67 3.20 -2.00 -3.42 116.97 111.43 1aje h TYR 64 Ca -0.16 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.62 1aje h TYR 64 Cb 0.52 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 1aje h TYR 64 CO 0.23 0.00 -0.07 -0.40 -1.64 0.00 0.00 178.16 176.28 1aje n ASP 65 N -4.04 -0.34 -3.99 -2.11 5.75 -1.26 -5.18 116.55 105.38 1aje n ASP 65 Ca 0.23 -1.56 -0.09 0.00 -0.01 0.00 0.00 54.79 53.36 1aje n ASP 65 Cb 1.19 0.66 -0.11 0.00 -1.03 0.00 0.00 41.12 41.83 1aje n ASP 65 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1aje s ARG 66 N -2.27 0.34 0.00 0.11 1.70 -1.26 -5.04 118.95 112.53 1aje s ARG 66 Ca 0.09 -0.66 0.00 0.00 -0.47 0.00 0.00 55.73 54.69 1aje s ARG 66 Cb -0.00 0.12 0.00 0.00 -0.57 0.00 0.00 34.95 34.50 1aje s ARG 66 CO 0.06 -0.06 0.00 1.28 -1.08 0.00 0.00 175.30 175.51 1aje n LEU 67 N 1.47 0.00 -4.15 -1.89 4.77 -1.26 -5.06 117.00 110.88 1aje n LEU 67 Ca -0.23 -0.41 -0.10 0.00 -0.03 0.00 0.00 56.01 55.24 1aje n LEU 67 Cb 0.56 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.54 1aje n LEU 67 CO 0.21 0.00 -0.36 -0.13 -1.33 0.00 0.00 177.39 175.78 1aje s ARG 68 N -1.08 0.79 0.12 3.23 0.52 -1.26 -5.02 118.95 116.25 1aje s ARG 68 Ca 0.00 -1.33 0.20 0.00 -0.52 0.00 0.00 55.73 54.09 1aje s ARG 68 Cb 0.00 -0.02 0.83 0.00 0.52 0.00 0.00 34.95 36.28 1aje s ARG 68 CO 0.00 -0.09 1.63 -0.35 0.02 0.00 0.00 175.30 176.51 1aje n PRO 69 N -0.02 0.10 0.00 3.54 -0.04 -1.26 -2.87 135.00 134.45 1aje n PRO 69 Ca -0.12 0.29 0.09 0.00 -0.04 0.00 0.00 63.50 63.73 1aje n PRO 69 Cb 0.61 -1.67 0.52 0.00 -0.04 0.00 0.00 33.50 32.92 1aje n PRO 69 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1aje n LEU 70 N -1.85 0.00 0.00 1.53 4.77 -1.26 -4.87 117.00 115.32 1aje n LEU 70 Ca 0.03 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1aje n LEU 70 Cb 0.23 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1aje n LEU 70 CO 0.18 -0.03 0.00 -0.24 -1.33 0.00 0.00 177.39 175.98 1aje n SER 71 N -1.06 0.00 -4.25 -1.43 2.88 -1.14 -4.67 113.62 103.94 1aje n SER 71 Ca 0.13 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.26 1aje n SER 71 Cb 0.08 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.45 1aje n SER 71 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1aje s TYR 72 N 0.00 3.37 0.00 0.66 2.02 -1.26 -4.90 117.35 117.24 1aje s TYR 72 Ca 0.00 -1.63 0.00 0.00 -0.37 0.00 0.00 57.07 55.07 1aje s TYR 72 Cb 0.00 -3.21 0.00 0.00 -0.40 0.00 0.00 41.96 38.35 1aje s TYR 72 CO 0.00 -0.91 0.00 -0.35 -1.57 0.00 0.00 175.55 172.72 1aje n PRO 73 N 4.94 0.76 -1.74 -1.71 -0.04 -1.26 -4.93 135.00 131.01 1aje n PRO 73 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1aje n PRO 73 Cb 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 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 -0.20 -4.24 -0.07 0.54 6.02 -1.26 -4.80 117.38 113.37 1aje n GLN 74 Ca 0.00 3.13 -0.14 0.00 -0.01 0.00 0.00 57.00 59.98 1aje n GLN 74 Cb 0.00 -3.33 -0.10 0.00 1.02 0.00 0.00 30.24 27.84 1aje n GLN 74 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1aje h THR 75 N 3.29 0.00 -5.73 5.09 1.35 -1.85 -3.46 112.91 111.61 1aje h THR 75 Ca 0.00 0.00 -0.32 0.00 -0.55 0.00 0.00 66.41 65.54 1aje h THR 75 Cb 0.00 0.00 0.16 0.00 -1.73 0.00 0.00 68.15 66.58 1aje h THR 75 CO 0.00 0.00 -0.88 -0.67 -0.25 0.00 0.00 175.52 173.72 1aje n ASP 76 N -5.37 -5.98 -3.33 5.36 -0.08 0.34 -4.90 116.55 102.59 1aje n ASP 76 Ca -0.05 -0.81 0.00 0.00 -1.51 0.00 0.00 54.79 52.42 1aje n ASP 76 Cb 0.36 -4.58 0.00 0.00 2.34 0.00 0.00 41.12 39.24 1aje n ASP 76 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1aje n VAL 77 N -3.59 0.00 -3.83 5.18 0.31 0.34 -4.29 118.33 112.45 1aje n VAL 77 Ca -0.09 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.94 1aje n VAL 77 Cb 0.61 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.39 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 -0.64 2.13 -0.78 3.52 0.08 -0.49 0.18 117.98 121.98 1aje s PHE 78 Ca 0.00 -1.85 -0.20 0.00 0.12 0.00 0.00 56.93 55.00 1aje s PHE 78 Cb 0.00 -1.81 0.11 0.00 -0.57 0.00 0.00 43.02 40.75 1aje s PHE 78 CO 0.00 -0.83 1.00 -0.51 -0.10 0.00 0.00 175.22 174.77 1aje s LEU 79 N 1.48 4.94 -0.35 -0.37 2.01 0.10 -1.64 118.68 124.85 1aje s LEU 79 Ca 0.05 -1.62 -0.29 0.00 0.01 0.00 0.00 54.13 52.28 1aje s LEU 79 Cb -0.18 -2.38 0.02 0.00 0.01 0.00 0.00 46.19 43.66 1aje s LEU 79 CO -0.16 -1.18 1.11 -0.69 1.01 0.00 0.00 176.35 176.44 1aje s VAL 80 N 3.06 4.41 -0.65 -1.59 1.01 -0.83 -1.20 120.40 124.60 1aje s VAL 80 Ca 0.25 1.59 -0.24 0.00 0.00 0.00 0.00 61.98 63.59 1aje s VAL 80 Cb -0.12 -4.43 0.06 0.00 0.00 0.00 0.00 36.38 31.89 1aje s VAL 80 CO -0.01 -0.58 1.01 0.00 0.00 0.00 0.00 175.10 175.52 1aje h PHE 82 N 9.60 -0.17 -2.82 0.00 -1.00 0.15 -3.36 116.94 119.34 1aje h PHE 82 Ca -0.28 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.50 1aje h PHE 82 Cb 1.07 0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.69 1aje h PHE 82 CO 0.98 -0.09 0.00 0.45 -1.61 0.00 0.00 178.31 178.05 1aje n SER 83 N -2.60 -1.88 0.30 2.17 2.88 -1.16 -2.91 113.62 110.41 1aje n SER 83 Ca -0.02 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.71 1aje n SER 83 Cb 0.06 -0.56 0.96 0.00 -0.75 0.00 0.00 64.21 63.92 1aje n SER 83 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 1aje h VAL 84 N 0.00 0.14 -0.41 2.46 -1.51 -1.90 0.33 116.25 115.36 1aje h VAL 84 Ca 0.00 0.00 0.12 0.00 -1.23 0.00 0.00 66.70 65.59 1aje h VAL 84 Cb 0.94 0.83 -0.02 0.00 -2.13 0.00 0.00 31.29 30.91 1aje h VAL 84 CO 0.00 0.00 0.52 -0.37 -1.23 0.00 0.00 177.57 176.49 1aje h VAL 85 N 0.00 0.27 -3.35 7.19 -1.51 -1.91 0.16 116.25 117.09 1aje h VAL 85 Ca 0.03 0.00 -0.65 0.00 -1.23 0.00 0.00 66.70 64.85 1aje h VAL 85 Cb 0.40 0.57 -0.33 0.00 -2.13 0.00 0.00 31.29 29.79 1aje h VAL 85 CO -0.00 0.00 -0.87 -0.55 -1.23 0.00 0.00 177.57 174.92 1aje s SER 86 N -4.90 2.84 0.00 4.19 0.15 0.11 -4.58 113.70 111.51 1aje s SER 86 Ca -0.04 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.10 1aje s SER 86 Cb 0.14 -1.30 0.00 0.00 -1.71 0.00 0.00 66.02 63.15 1aje s SER 86 CO 0.48 0.13 0.00 -0.81 1.20 0.00 0.00 173.24 174.25 1aje n PRO 87 N 3.61 0.00 0.26 5.44 -0.04 -1.25 -3.77 135.00 139.25 1aje n PRO 87 Ca -0.20 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.31 1aje n PRO 87 Cb 0.53 -0.15 0.26 0.00 -0.04 0.00 0.00 33.50 34.10 1aje n PRO 87 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1aje h SER 88 N 0.00 0.00 0.21 3.54 4.64 -1.95 -1.10 113.55 118.89 1aje h SER 88 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1aje h SER 88 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 1aje h SER 88 CO 0.00 0.00 -0.39 -1.28 -0.87 0.00 0.00 176.83 174.29 1aje h SER 89 N 0.00 -1.12 0.00 4.97 0.87 -1.88 0.17 113.55 116.56 1aje h SER 89 Ca 0.00 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1aje h SER 89 Cb 1.31 0.41 0.00 0.00 -0.44 0.00 0.00 62.40 63.68 1aje h SER 89 CO 0.00 -0.49 0.45 2.19 -0.53 0.00 0.00 176.83 178.45 1aje h PHE 90 N -0.68 0.00 0.01 2.24 -0.00 -1.06 -2.34 116.94 115.11 1aje h PHE 90 Ca 0.01 0.00 -0.18 0.00 -0.00 0.00 0.00 57.97 57.80 1aje h PHE 90 Cb 0.67 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.60 1aje h PHE 90 CO -0.30 0.00 -0.96 1.49 -0.00 0.00 0.00 178.31 178.54 1aje h GLU 91 N 0.00 0.02 0.00 6.09 4.57 -0.81 -3.27 114.58 121.18 1aje h GLU 91 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1aje h GLU 91 Cb 0.90 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.51 1aje h GLU 91 CO 0.00 1.02 0.30 -2.95 -1.18 0.00 0.00 179.01 176.20 1aje h ASN 92 N -0.93 0.00 0.09 1.04 7.08 -1.20 0.93 115.58 122.59 1aje h ASN 92 Ca -0.26 0.00 0.02 0.00 -3.08 0.00 0.00 56.30 52.98 1aje h ASN 92 Cb 1.28 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 37.47 1aje h ASN 92 CO -0.13 0.00 -0.46 0.58 -2.08 0.00 0.00 177.43 175.34 1aje h VAL 93 N 0.00 0.10 -0.45 6.14 2.07 -1.58 -0.68 116.25 121.85 1aje h VAL 93 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 1aje h VAL 93 Cb 0.59 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1aje h VAL 93 CO 0.00 0.00 -0.10 0.11 0.02 0.00 0.00 177.57 177.60 1aje h LYS 94 N -0.67 0.86 -1.00 1.57 1.79 -0.97 0.78 116.57 118.92 1aje h LYS 94 Ca 0.02 -0.33 0.22 0.00 -2.18 0.00 0.00 60.65 58.38 1aje h LYS 94 Cb 0.71 -0.05 -0.10 0.00 -1.58 0.00 0.00 32.23 31.20 1aje h LYS 94 CO -0.28 0.96 0.62 0.93 -1.08 0.00 0.00 179.45 180.60 1aje h GLU 95 N 0.70 0.58 0.00 3.15 5.08 -1.06 -3.08 114.58 119.95 1aje h GLU 95 Ca 0.11 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1aje h GLU 95 Cb 0.64 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1aje h GLU 95 CO 0.04 0.39 -0.50 1.17 -1.00 0.00 0.00 179.01 179.10 1aje n LYS 96 N -4.73 2.27 0.19 2.33 4.81 -0.33 -4.74 118.16 117.97 1aje n LYS 96 Ca 0.24 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.72 1aje n LYS 96 Cb 0.69 -0.75 0.40 0.00 0.02 0.00 0.00 35.03 35.39 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 0.00 0.17 5.64 4.06 0.49 -2.03 115.95 124.28 1aje h TRP 97 Ca 0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 1aje h TRP 97 Cb 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.53 1aje h TRP 97 CO 0.00 0.34 -0.08 0.28 -3.56 0.00 0.00 178.44 175.42 1aje h VAL 98 N 0.00 0.92 0.00 1.49 2.07 -1.46 0.42 116.25 119.69 1aje h VAL 98 Ca -0.00 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1aje h VAL 98 Cb 0.64 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1aje h VAL 98 CO 0.04 0.10 0.00 -0.81 0.02 0.00 0.00 177.57 176.93 1aje n PRO 99 N -5.09 0.01 -0.01 1.57 -0.04 -1.14 -0.55 135.00 129.74 1aje n PRO 99 Ca -0.09 0.40 -0.06 0.00 -0.04 0.00 0.00 63.50 63.71 1aje n PRO 99 Cb 0.19 -1.53 -0.13 0.00 -0.04 0.00 0.00 33.50 32.00 1aje n PRO 99 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1aje n GLU 100 N -1.54 0.63 0.00 0.54 -0.58 -0.19 -4.41 120.64 115.09 1aje n GLU 100 Ca 0.01 0.26 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 1aje n GLU 100 Cb 0.08 -1.78 0.00 0.00 -0.57 0.00 0.00 31.44 29.17 1aje n GLU 100 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1aje n ILE 101 N -2.98 0.00 -2.27 -3.67 -5.35 0.13 -4.88 119.36 100.33 1aje n ILE 101 Ca -0.16 0.05 -0.01 0.00 -0.27 0.00 0.00 62.75 62.36 1aje n ILE 101 Cb 1.01 -0.19 -0.02 0.00 -1.74 0.00 0.00 39.64 38.69 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 -0.69 0.00 -3.27 7.28 5.66 -0.84 -5.00 114.28 117.41 1aje n THR 102 Ca 0.00 -0.55 -0.15 0.00 -3.05 0.00 0.00 64.05 60.30 1aje n THR 102 Cb 0.00 0.77 0.08 0.00 -1.55 0.00 0.00 70.33 69.63 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 0.27 -2.16 -2.19 1.09 -0.00 -0.53 -4.00 115.22 107.70 1aje n HIS 103 Ca -0.09 0.86 -0.04 0.00 -0.00 0.00 0.00 57.72 58.45 1aje n HIS 103 Cb 0.95 -4.59 0.02 0.00 -0.00 0.00 0.00 29.99 26.37 1aje n HIS 103 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1aje n HIS 104 N -3.64 -1.11 -2.95 1.57 -0.00 -1.24 -4.94 115.22 102.91 1aje n HIS 104 Ca -0.20 0.40 -0.27 0.00 -0.00 0.00 0.00 57.72 57.66 1aje n HIS 104 Cb 0.64 -2.93 -0.04 0.00 -0.00 0.00 0.00 29.99 27.67 1aje n HIS 104 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1aje n PRO 106 N -0.22 1.26 0.00 0.00 -0.04 -1.26 -4.06 135.00 130.69 1aje n PRO 106 Ca 0.31 -0.31 0.12 0.00 -0.04 0.00 0.00 63.50 63.58 1aje n PRO 106 Cb 0.40 -1.35 0.52 0.00 -0.04 0.00 0.00 33.50 33.03 1aje n PRO 106 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1aje n LYS 107 N 0.20 0.01 0.11 0.54 3.00 -1.26 -4.23 118.16 116.53 1aje n LYS 107 Ca 0.04 0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 1aje n LYS 107 Cb 0.48 -1.51 0.00 0.00 0.00 0.00 0.00 35.03 34.00 1aje n LYS 107 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1aje n THR 108 N -1.53 0.00 -1.53 3.15 -1.04 -1.26 -4.99 114.28 107.08 1aje n THR 108 Ca 0.06 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.67 1aje n THR 108 Cb 0.29 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.78 1aje n THR 108 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1aje n PRO 109 N -3.21 3.74 -3.65 -2.82 -0.04 -1.26 -4.56 135.00 123.20 1aje n PRO 109 Ca 0.00 -2.53 -0.22 0.00 -0.04 0.00 0.00 63.50 60.71 1aje n PRO 109 Cb 0.00 -2.84 -0.18 0.00 -0.04 0.00 0.00 33.50 30.44 1aje n PRO 109 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1aje s PHE 110 N 1.66 0.13 -0.20 0.54 2.19 -1.26 -1.39 117.98 119.65 1aje s PHE 110 Ca 0.63 0.02 -0.00 0.00 0.33 0.00 0.00 56.93 57.91 1aje s PHE 110 Cb 0.17 -0.57 0.05 0.00 -1.31 0.00 0.00 43.02 41.36 1aje s PHE 110 CO -0.07 -0.32 -0.04 -0.51 1.83 0.00 0.00 175.22 176.12 1aje s LEU 111 N 2.15 1.98 -0.70 6.12 1.43 -0.65 0.33 118.68 129.34 1aje s LEU 111 Ca 0.04 -0.94 -0.25 0.00 -1.03 0.00 0.00 54.13 51.94 1aje s LEU 111 Cb -0.14 -0.98 0.04 0.00 0.03 0.00 0.00 46.19 45.15 1aje s LEU 111 CO -0.05 -0.23 1.16 -0.22 0.23 0.00 0.00 176.35 177.23 1aje s LEU 112 N 1.56 3.61 0.03 1.79 2.96 0.16 -1.97 118.68 126.83 1aje s LEU 112 Ca -0.03 -0.61 0.08 0.00 -0.22 0.00 0.00 54.13 53.35 1aje s LEU 112 Cb -0.17 -2.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.94 1aje s LEU 112 CO -0.07 -1.67 -0.22 -0.69 -1.32 0.00 0.00 176.35 172.38 1aje s VAL 113 N 5.09 2.48 0.00 1.68 1.01 -0.82 -0.03 120.40 129.81 1aje s VAL 113 Ca 0.31 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1aje s VAL 113 Cb -0.11 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.27 1aje s VAL 113 CO 0.14 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1aje n GLY 114 N 1.75 -3.15 0.00 4.51 0.00 0.17 0.16 105.19 108.63 1aje n GLY 114 Ca -0.17 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.48 2.61 5.66 -1.26 -3.01 114.28 115.80 1aje n THR 115 Ca 0.00 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.57 1aje n THR 115 Cb 0.00 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 68.79 1aje n THR 115 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1aje n GLN 116 N 0.00 3.79 0.00 1.09 3.00 -0.66 -2.96 117.38 121.64 1aje n GLN 116 Ca 0.00 -3.73 0.00 0.00 -0.01 0.00 0.00 57.00 53.26 1aje n GLN 116 Cb 0.00 -2.84 0.00 0.00 0.00 0.00 0.00 30.24 27.40 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 2.95 0.00 0.02 5.09 5.41 -1.26 -1.79 119.36 129.77 1aje n ILE 117 Ca 0.37 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 64.01 1aje n ILE 117 Cb 0.36 -0.76 -0.08 0.00 -0.71 0.00 0.00 39.64 38.44 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 -0.12 0.00 4.38 3.58 -1.88 -3.33 116.42 119.06 1aje h ASP 118 Ca 0.00 -0.45 -0.01 0.00 0.42 0.00 0.00 57.03 56.99 1aje h ASP 118 Cb 0.00 0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 1aje h ASP 118 CO 0.00 0.50 -1.03 0.18 -2.88 0.00 0.00 179.24 176.01 1aje n LEU 119 N -4.85 1.39 0.28 2.28 7.99 -1.16 -4.42 117.00 118.50 1aje n LEU 119 Ca -0.08 -0.00 0.18 0.00 -0.01 0.00 0.00 56.01 56.11 1aje n LEU 119 Cb 0.28 -0.00 0.93 0.00 -0.11 0.00 0.00 43.42 44.52 1aje n LEU 119 CO 0.26 0.24 1.15 0.03 -1.51 0.00 0.00 177.39 177.56 1aje h ARG 120 N 0.00 0.00 0.00 3.23 2.47 -1.60 2.44 114.38 120.92 1aje h ARG 120 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1aje h ARG 120 Cb 1.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.34 1aje h ARG 120 CO -0.00 0.00 -0.20 0.38 0.56 0.00 0.00 179.97 180.71 1aje h ASP 121 N 0.00 0.00 -3.15 7.04 2.03 -1.67 -3.33 116.42 117.34 1aje h ASP 121 Ca 0.04 -0.04 -0.14 0.00 -0.73 0.00 0.00 57.03 56.16 1aje h ASP 121 Cb 0.42 0.00 0.04 0.00 -0.83 0.00 0.00 39.33 38.96 1aje h ASP 121 CO -0.00 0.02 0.09 0.47 -1.03 0.00 0.00 179.24 178.79 1aje n ASP 122 N -2.46 0.19 0.23 4.15 8.00 0.82 -4.90 116.55 122.59 1aje n ASP 122 Ca 0.04 -1.23 0.15 0.00 0.71 0.00 0.00 54.79 54.46 1aje n ASP 122 Cb 0.46 -0.26 0.80 0.00 -0.02 0.00 0.00 41.12 42.09 1aje n ASP 122 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1aje h PRO 123 N 0.00 0.00 -1.05 -0.24 0.13 -1.87 -2.90 132.00 126.07 1aje h PRO 123 Ca -0.12 0.00 0.29 0.00 -0.87 0.00 0.00 66.00 65.30 1aje h PRO 123 Cb 0.37 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.38 1aje h PRO 123 CO 0.10 0.00 0.65 0.66 -0.23 0.00 0.00 178.00 179.18 1aje h SER 124 N 0.00 0.51 -0.24 1.44 4.64 -1.86 0.54 113.55 118.59 1aje h SER 124 Ca 0.00 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1aje h SER 124 Cb 0.07 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1aje h SER 124 CO 0.00 0.02 0.00 1.07 -0.87 0.00 0.00 176.83 177.05 1aje n THR 125 N -4.80 0.31 0.02 2.95 5.66 -1.09 -4.39 114.28 112.93 1aje n THR 125 Ca 0.28 -0.43 -0.03 0.00 -3.05 0.00 0.00 64.05 60.83 1aje n THR 125 Cb 0.92 0.41 -0.01 0.00 -1.55 0.00 0.00 70.33 70.09 1aje n THR 125 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 1aje h ILE 126 N 2.46 0.02 -0.63 1.09 1.08 -0.09 -3.27 117.51 118.16 1aje h ILE 126 Ca 0.00 -0.89 0.18 0.00 -0.39 0.00 0.00 64.86 63.76 1aje h ILE 126 Cb 0.54 0.04 -0.03 0.00 -3.07 0.00 0.00 36.82 34.31 1aje h ILE 126 CO 0.00 0.01 0.49 -0.33 -0.69 0.00 0.00 178.15 177.62 1aje h GLU 127 N -1.04 0.00 0.00 2.37 3.07 -1.77 2.40 114.58 119.61 1aje h GLU 127 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1aje h GLU 127 Cb 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1aje h GLU 127 CO 0.03 0.00 0.09 0.87 -1.40 0.00 0.00 179.01 178.59 1aje h LYS 128 N 0.00 0.00 0.00 2.33 6.56 -1.77 -3.39 116.57 120.30 1aje h LYS 128 Ca 0.30 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.89 1aje h LYS 128 Cb 1.27 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.93 1aje h LYS 128 CO -0.00 0.00 0.00 -0.11 -2.06 0.00 0.00 179.45 177.28 1aje n LEU 129 N -2.99 -1.55 -3.92 2.94 7.94 0.42 -5.05 117.00 114.79 1aje n LEU 129 Ca -0.03 0.49 -0.37 0.00 -1.11 0.00 0.00 56.01 54.99 1aje n LEU 129 Cb 0.15 1.60 0.02 0.00 0.53 0.00 0.00 43.42 45.71 1aje n LEU 129 CO 0.18 -0.32 -0.16 0.00 -1.11 0.00 0.00 177.39 175.98 1aje n ALA 130 N -3.17 -2.48 -0.07 1.96 0.00 0.71 -4.83 120.51 112.64 1aje n ALA 130 Ca 0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 53.44 52.98 1aje n ALA 130 Cb 0.00 -2.98 -0.15 0.00 0.00 0.00 0.00 19.45 16.31 1aje n ALA 130 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1aje n LYS 131 N -4.61 0.67 -0.14 0.00 -0.00 -1.26 -4.23 118.16 108.60 1aje n LYS 131 Ca -0.14 -0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.26 1aje n LYS 131 Cb 0.60 -1.56 0.13 0.00 -0.00 0.00 0.00 35.03 34.20 1aje n LYS 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1aje n ASN 132 N -2.69 2.15 -3.34 -5.58 3.02 -1.26 -4.94 115.26 102.61 1aje n ASN 132 Ca -0.25 -3.06 -0.24 0.00 -0.03 0.00 0.00 54.58 51.00 1aje n ASN 132 Cb 1.02 -0.42 0.02 0.00 -0.61 0.00 0.00 39.78 39.79 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 -1.31 -4.64 0.00 3.52 4.76 -1.26 -4.60 118.16 114.62 1aje n LYS 133 Ca 0.15 0.68 0.00 0.00 -2.87 0.00 0.00 58.31 56.28 1aje n LYS 133 Cb 0.65 -5.51 0.00 0.00 -1.84 0.00 0.00 35.03 28.33 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 -4.10 0.00 -1.68 1.97 1.13 -1.26 -5.08 117.38 108.36 1aje n GLN 134 Ca -0.04 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.01 1aje n GLN 134 Cb 0.57 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.92 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 -0.66 -1.03 -1.09 4.76 -1.26 -4.86 118.16 114.03 1aje n LYS 135 Ca 0.00 0.93 -0.23 0.00 -2.87 0.00 0.00 58.31 56.14 1aje n LYS 135 Cb 0.00 -1.66 0.18 0.00 -1.84 0.00 0.00 35.03 31.71 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 0.20 -2.06 -1.17 1.97 -0.04 -1.26 -4.46 135.00 128.19 1aje n PRO 136 Ca -0.04 -1.42 -0.46 0.00 -0.04 0.00 0.00 63.50 61.54 1aje n PRO 136 Cb 0.06 -1.18 -0.06 0.00 -0.04 0.00 0.00 33.50 32.28 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 -3.99 0.04 -2.67 0.52 -0.00 0.54 -4.77 119.36 109.03 1aje n ILE 137 Ca 0.12 -0.01 -0.23 0.00 -0.00 0.00 0.00 62.75 62.63 1aje n ILE 137 Cb 0.45 0.00 0.11 0.00 -0.00 0.00 0.00 39.64 40.20 1aje n ILE 137 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 1aje s THR 138 N -0.02 2.03 -0.50 1.39 -4.23 -1.26 -4.86 115.64 108.19 1aje s THR 138 Ca 0.70 -0.67 0.25 0.00 -1.18 0.00 0.00 61.69 60.79 1aje s THR 138 Cb -0.98 -2.37 0.27 0.00 1.34 0.00 0.00 72.50 70.75 1aje s THR 138 CO 0.44 0.00 1.74 1.55 -0.54 0.00 0.00 174.62 177.81 1aje h PRO 139 N -0.50 0.00 -0.13 3.99 0.13 -2.01 -2.42 132.00 131.06 1aje h PRO 139 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1aje h PRO 139 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1aje h PRO 139 CO 0.38 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.54 1aje n GLU 140 N -2.30 1.93 -0.04 0.86 1.02 -1.26 -4.31 120.64 116.54 1aje n GLU 140 Ca 0.03 -1.82 -0.04 0.00 -0.02 0.00 0.00 57.16 55.30 1aje n GLU 140 Cb 0.28 -1.40 -0.01 0.00 -0.02 0.00 0.00 31.44 30.29 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 1.15 0.80 0.12 2.62 -1.04 -0.93 -4.08 114.28 112.92 1aje n THR 141 Ca 0.13 0.30 -0.06 0.00 -2.04 0.00 0.00 64.05 62.38 1aje n THR 141 Cb 0.51 -1.90 -0.03 0.00 -1.82 0.00 0.00 70.33 67.09 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 -1.32 -0.97 -0.94 2.41 0.00 -1.77 -1.08 119.26 115.60 1aje h ALA 142 Ca 0.00 -0.07 0.27 0.00 0.00 0.00 0.00 54.91 55.11 1aje h ALA 142 Cb 0.49 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1aje h ALA 142 CO 0.00 -0.96 0.68 0.93 0.00 0.00 0.00 179.25 179.89 1aje h GLU 143 N -0.35 0.00 -0.42 0.00 5.08 -1.81 0.99 114.58 118.08 1aje h GLU 143 Ca -0.03 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1aje h GLU 143 Cb 0.28 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.47 1aje h GLU 143 CO 0.02 0.00 0.01 -0.22 -1.00 0.00 0.00 179.01 177.82 1aje h LYS 144 N 0.00 0.12 0.06 2.33 3.11 -1.36 0.22 116.57 121.06 1aje h LYS 144 Ca 0.45 -0.01 -0.33 0.00 -2.81 0.00 0.00 60.65 57.95 1aje h LYS 144 Cb 1.80 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 32.96 1aje h LYS 144 CO -0.00 0.08 -1.84 1.47 -2.81 0.00 0.00 179.45 176.35 1aje n LEU 145 N -5.18 1.70 0.33 5.20 -0.00 0.20 -3.10 117.00 116.14 1aje n LEU 145 Ca 0.03 0.32 0.21 0.00 -0.00 0.00 0.00 56.01 56.58 1aje n LEU 145 Cb 0.22 -0.44 1.16 0.00 -0.00 0.00 0.00 43.42 44.36 1aje n LEU 145 CO 0.19 0.61 1.18 0.00 -0.00 0.00 0.00 177.39 179.37 1aje h ALA 146 N 0.57 1.10 -0.00 1.47 0.00 -1.01 2.47 119.26 123.85 1aje h ALA 146 Ca -0.35 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.38 1aje h ALA 146 Cb 2.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.80 1aje h ALA 146 CO 0.09 -0.03 -0.83 -0.09 0.00 0.00 0.00 179.25 178.38 1aje h ARG 147 N 0.00 0.12 0.00 0.00 9.65 -0.60 1.21 114.38 124.76 1aje h ARG 147 Ca 0.00 -0.13 -0.03 0.00 -1.10 0.00 0.00 59.98 58.72 1aje h ARG 147 Cb 0.06 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.67 1aje h ARG 147 CO -0.00 0.88 -0.15 -0.44 2.80 0.00 0.00 179.97 183.06 1aje h ASP 148 N 0.07 0.00 0.00 -3.80 5.19 0.42 -3.37 116.42 114.93 1aje h ASP 148 Ca -0.03 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.34 1aje h ASP 148 Cb 1.44 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.95 1aje h ASP 148 CO 0.12 0.15 -1.15 0.18 -3.12 0.00 0.00 179.24 175.42 1aje n LEU 149 N -3.17 1.82 -2.82 1.55 4.77 -0.07 -5.04 117.00 114.03 1aje n LEU 149 Ca 0.02 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.88 1aje n LEU 149 Cb 0.53 -0.04 0.06 0.00 -2.33 0.00 0.00 43.42 41.64 1aje n LEU 149 CO 0.34 0.35 0.05 0.29 -1.33 0.00 0.00 177.39 177.09 1aje n LYS 150 N -2.38 -3.06 0.00 3.23 4.76 0.41 -4.70 118.16 116.42 1aje n LYS 150 Ca -0.04 0.65 0.00 0.00 -2.87 0.00 0.00 58.31 56.05 1aje n LYS 150 Cb 0.56 -4.88 0.00 0.00 -1.84 0.00 0.00 35.03 28.87 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 -3.03 0.00 0.09 7.82 0.00 -1.26 -4.68 120.51 119.44 1aje n ALA 151 Ca -0.12 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.12 1aje n ALA 151 Cb 0.61 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.31 1.14 -2.05 0.00 3.04 0.52 -3.47 116.25 114.12 1aje h VAL 152 Ca 0.00 -2.71 -0.05 0.00 -1.01 0.00 0.00 66.70 62.94 1aje h VAL 152 Cb 0.00 2.83 -0.21 0.00 -2.01 0.00 0.00 31.29 31.90 1aje h VAL 152 CO 0.00 0.84 0.11 -0.75 -1.01 0.00 0.00 177.57 176.76 1aje s LYS 153 N -2.60 0.83 -0.11 4.17 2.36 -1.08 -5.02 119.74 118.29 1aje s LYS 153 Ca -0.11 0.92 0.02 0.00 -2.55 0.00 0.00 55.97 54.25 1aje s LYS 153 Cb 0.06 0.41 -0.01 0.00 -1.05 0.00 0.00 37.83 37.24 1aje s LYS 153 CO 0.87 -0.11 -0.18 -0.47 1.55 0.00 0.00 175.35 177.01 1aje s TYR 154 N 0.26 2.68 0.35 4.03 5.04 -1.25 0.40 117.35 128.85 1aje s TYR 154 Ca -0.01 -0.79 -0.12 0.00 -2.44 0.00 0.00 57.07 53.71 1aje s TYR 154 Cb -0.05 -1.76 0.03 0.00 0.35 0.00 0.00 41.96 40.53 1aje s TYR 154 CO 0.02 -0.28 0.65 0.14 -1.34 0.00 0.00 175.55 174.74 1aje s VAL 155 N 0.26 0.00 0.04 3.14 -7.23 0.96 -4.99 120.40 112.58 1aje s VAL 155 Ca -0.13 -1.23 0.06 0.00 -1.81 0.00 0.00 61.98 58.87 1aje s VAL 155 Cb -0.16 -2.65 -0.02 0.00 0.56 0.00 0.00 36.38 34.11 1aje s VAL 155 CO 0.07 0.00 -0.16 -1.61 -0.31 0.00 0.00 175.10 173.09 1aje s GLU 156 N -2.88 1.08 0.00 4.82 2.02 -1.26 0.45 118.70 122.93 1aje s GLU 156 Ca 0.20 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.38 1aje s GLU 156 Cb -0.03 -1.13 0.00 0.00 0.10 0.00 0.00 34.13 33.07 1aje s GLU 156 CO 0.13 0.28 0.00 0.00 0.02 0.00 0.00 175.26 175.70 1aje n SER 158 N 0.00 1.05 0.00 0.00 2.88 -1.15 -4.54 113.62 111.85 1aje n SER 158 Ca 0.00 -1.08 0.00 0.00 -1.33 0.00 0.00 58.87 56.46 1aje n SER 158 Cb 0.00 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 1aje n SER 158 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1aje n ALA 159 N 1.62 0.00 -0.00 -1.46 0.00 -1.26 -3.56 120.51 115.85 1aje n ALA 159 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1aje n ALA 159 Cb 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.43 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 0.22 0.15 0.00 -0.00 -1.26 -4.48 117.00 111.64 1aje n LEU 160 Ca 0.00 0.09 -0.11 0.00 -0.00 0.00 0.00 56.01 55.99 1aje n LEU 160 Cb 0.00 0.07 -0.06 0.00 -0.00 0.00 0.00 43.42 43.43 1aje n LEU 160 CO 0.00 0.06 0.51 0.74 -0.00 0.00 0.00 177.39 178.70 1aje h THR 161 N 0.00 0.00 -0.43 1.47 2.02 -1.89 -3.47 112.91 110.61 1aje h THR 161 Ca -0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1aje h THR 161 Cb 1.24 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 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 -0.01 6.66 1.13 -1.26 -4.98 117.38 114.63 1aje n GLN 162 Ca -0.07 0.00 0.10 0.00 -1.94 0.00 0.00 57.00 55.09 1aje n GLN 162 Cb 0.28 -1.70 -0.15 0.00 0.11 0.00 0.00 30.24 28.78 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 -0.50 0.57 0.00 -1.09 2.85 -1.26 -4.82 118.16 113.91 1aje n LYS 163 Ca 0.00 -0.16 0.00 0.00 -1.05 0.00 0.00 58.31 57.10 1aje n LYS 163 Cb 0.30 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.20 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 1.35 0.47 0.03 2.58 0.00 -1.13 -4.86 105.19 103.63 1aje n GLY 164 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 0.52 0.01 0.99 -0.00 -1.26 -1.27 117.00 115.99 1aje n LEU 165 Ca 0.00 0.22 0.11 0.00 -0.00 0.00 0.00 56.01 56.35 1aje n LEU 165 Cb 0.12 -0.27 0.09 0.00 -0.00 0.00 0.00 43.42 43.36 1aje n LEU 165 CO 0.00 0.01 0.20 0.29 -0.00 0.00 0.00 177.39 177.88 1aje n LYS 166 N -1.81 0.07 -0.07 1.47 5.02 -1.26 -1.89 118.16 119.69 1aje n LYS 166 Ca 0.05 -0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.13 1aje n LYS 166 Cb 0.39 -1.52 -0.13 0.00 -0.02 0.00 0.00 35.03 33.75 1aje n LYS 166 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1aje n ASN 167 N -1.61 2.03 -0.03 4.39 0.23 -1.16 -2.48 115.26 116.63 1aje n ASN 167 Ca 0.04 0.10 -0.10 0.00 -0.53 0.00 0.00 54.58 54.08 1aje n ASN 167 Cb 0.36 -0.68 -0.04 0.00 -2.08 0.00 0.00 39.78 37.33 1aje n ASN 167 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 1aje h VAL 168 N -0.15 1.06 -0.62 3.53 3.04 -1.30 0.71 116.25 122.51 1aje h VAL 168 Ca -0.51 -0.12 0.12 0.00 -1.01 0.00 0.00 66.70 65.18 1aje h VAL 168 Cb 1.88 0.85 -0.10 0.00 -2.01 0.00 0.00 31.29 31.91 1aje h VAL 168 CO -0.06 0.05 0.07 -0.26 -1.01 0.00 0.00 177.57 176.36 1aje h PHE 169 N 0.20 0.08 -0.25 3.17 -1.00 -1.51 2.55 116.94 120.18 1aje h PHE 169 Ca 0.06 0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.87 1aje h PHE 169 Cb -0.00 0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 1aje h PHE 169 CO -0.06 -0.11 0.12 -0.44 -1.61 0.00 0.00 178.31 176.21 1aje h ASP 170 N 0.18 0.30 -0.00 2.17 5.19 -0.74 -2.55 116.42 120.97 1aje h ASP 170 Ca 0.33 -0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.68 1aje h ASP 170 Cb 0.52 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.96 1aje h ASP 170 CO -0.47 0.26 -0.15 -0.33 -3.12 0.00 0.00 179.24 175.43 1aje h GLU 171 N 0.35 0.11 -0.86 3.56 4.39 0.95 0.45 114.58 123.53 1aje h GLU 171 Ca 0.09 -0.11 0.20 0.00 0.34 0.00 0.00 59.36 59.88 1aje h GLU 171 Cb 0.04 0.03 -0.12 0.00 -0.10 0.00 0.00 28.75 28.60 1aje h GLU 171 CO -0.01 0.85 0.34 0.00 -1.16 0.00 0.00 179.01 179.03 1aje h ALA 172 N 0.26 1.32 0.01 3.43 0.00 0.34 3.62 119.26 128.23 1aje h ALA 172 Ca -0.02 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1aje h ALA 172 Cb 0.90 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1aje h ALA 172 CO 0.03 -0.33 -0.00 0.82 0.00 0.00 0.00 179.25 179.77 1aje h ILE 173 N 0.38 1.51 0.00 0.00 5.03 -1.48 -0.30 117.51 122.65 1aje h ILE 173 Ca 0.52 -1.55 0.00 0.00 -0.12 0.00 0.00 64.86 63.71 1aje h ILE 173 Cb 0.96 2.56 0.00 0.00 -3.03 0.00 0.00 36.82 37.31 1aje h ILE 173 CO -0.52 0.40 0.00 0.25 -0.68 0.00 0.00 178.15 177.60 1aje h LEU 174 N -0.67 0.00 0.00 1.44 7.12 0.17 1.87 115.31 125.23 1aje h LEU 174 Ca -0.00 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 57.95 1aje h LEU 174 Cb 0.66 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.78 1aje h LEU 174 CO 0.00 0.00 -0.88 0.00 -0.13 0.00 0.00 178.44 177.43 1aje h ALA 175 N 2.00 0.65 -0.22 1.25 0.00 0.70 -3.22 119.26 120.42 1aje h ALA 175 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1aje h ALA 175 Cb 0.03 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1aje h ALA 175 CO 0.00 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.61 1aje n ALA 176 N -2.24 2.72 -1.61 0.00 0.00 0.36 -4.16 120.51 115.59 1aje n ALA 176 Ca -0.02 -2.14 -0.08 0.00 0.00 0.00 0.00 53.44 51.20 1aje n ALA 176 Cb 0.66 -0.59 0.16 0.00 0.00 0.00 0.00 19.45 19.67 1aje n ALA 176 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1aje n LEU 177 N -0.50 4.21 -3.89 0.00 -0.00 0.54 -4.82 117.00 112.54 1aje n LEU 177 Ca 0.18 -4.07 -0.41 0.00 -0.00 0.00 0.00 56.01 51.72 1aje n LEU 177 Cb 0.76 -0.57 0.00 0.00 -0.00 0.00 0.00 43.42 43.61 1aje n LEU 177 CO 0.11 1.50 1.06 -0.62 -0.00 0.00 0.00 177.39 179.45 1aje n GLU 178 N -1.02 4.40 -1.31 1.96 1.02 -1.26 -4.95 120.64 119.48 1aje n GLU 178 Ca 0.34 -4.59 -0.29 0.00 -0.02 0.00 0.00 57.16 52.60 1aje n GLU 178 Cb 0.92 -2.48 0.20 0.00 -0.02 0.00 0.00 31.44 30.05 1aje n GLU 178 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1aje s PRO 179 N -2.97 -0.08 0.20 3.49 0.04 -1.26 -4.99 135.00 129.43 1aje s PRO 179 Ca 0.33 0.11 -0.30 0.00 0.04 0.00 0.00 61.00 61.18 1aje s PRO 179 Cb 0.08 -1.71 -0.08 0.00 0.04 0.00 0.00 34.50 32.82 1aje s PRO 179 CO 0.07 -2.99 1.19 -1.25 0.04 0.00 0.00 177.00 174.06 1aje s PRO 180 N -5.32 4.50 -0.49 0.56 0.04 -1.26 -4.99 135.00 128.04 1aje s PRO 180 Ca 0.68 1.87 0.06 0.00 0.04 0.00 0.00 61.00 63.65 1aje s PRO 180 Cb -0.12 -3.23 0.21 0.00 0.04 0.00 0.00 34.50 31.40 1aje s PRO 180 CO 0.55 -0.06 0.50 0.39 0.04 0.00 0.00 177.00 178.43 1aje n GLU 181 N 2.33 1.06 -0.82 4.56 -0.58 -1.26 -4.97 120.64 120.96 1aje n GLU 181 Ca 0.04 -3.68 -0.23 0.00 -0.42 0.00 0.00 57.16 52.86 1aje n GLU 181 Cb 0.45 -1.72 -0.03 0.00 -0.57 0.00 0.00 31.44 29.56 1aje n GLU 181 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1aje n PRO 182 N 1.84 2.28 -4.90 3.49 -0.04 -1.26 -4.83 135.00 131.59 1aje n PRO 182 Ca 0.25 -1.50 -0.31 0.00 -0.04 0.00 0.00 63.50 61.90 1aje n PRO 182 Cb 0.46 -2.45 -0.14 0.00 -0.04 0.00 0.00 33.50 31.33 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 3.04 2.00 -0.07 0.54 -0.14 -1.26 -4.88 119.74 118.97 1aje s LYS 183 Ca 0.45 -1.00 -0.06 0.00 -1.36 0.00 0.00 55.97 53.99 1aje s LYS 183 Cb 0.12 -2.09 0.01 0.00 -1.68 0.00 0.00 37.83 34.19 1aje s LYS 183 CO -0.03 0.54 0.11 1.17 -0.76 0.00 0.00 175.35 176.37 1aje n LYS 184 N 1.87 -0.51 -1.59 1.68 4.81 -1.26 -4.71 118.16 118.45 1aje n LYS 184 Ca -0.17 0.84 -0.45 0.00 -0.87 0.00 0.00 58.31 57.67 1aje n LYS 184 Cb 0.52 -1.11 -0.02 0.00 0.02 0.00 0.00 35.03 34.45 1aje n LYS 184 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1aje n SER 185 N 1.06 1.33 -3.87 3.14 7.64 -1.26 -4.95 113.62 116.71 1aje n SER 185 Ca -0.01 1.18 -0.30 0.00 1.01 0.00 0.00 58.87 60.75 1aje n SER 185 Cb 0.52 -1.29 -0.14 0.00 -1.01 0.00 0.00 64.21 62.28 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 -1.54 1.62 0.00 1.43 3.52 -1.26 -5.26 118.95 117.46 1aje s ARG 186 Ca 0.59 -2.24 0.00 0.00 -0.13 0.00 0.00 55.73 53.95 1aje s ARG 186 Cb -0.70 -2.92 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 1aje s ARG 186 CO 0.60 -1.09 0.37 -2.13 -0.81 0.00 0.00 175.30 172.23