#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pjw s LYS 2 N 0.00 0.53 -0.49 -1.24 -2.85 -1.26 -5.11 119.74 109.32 1pjw s LYS 2 Ca 0.00 -0.84 -0.09 0.00 -1.00 0.00 0.00 55.97 54.05 1pjw s LYS 2 Cb 0.00 -0.18 0.13 0.00 -2.06 0.00 0.00 37.83 35.72 1pjw s LYS 2 CO 0.00 0.01 0.36 -0.48 0.10 0.00 0.00 175.35 175.35 1pjw s LEU 3 N -1.83 5.70 -0.10 2.77 2.34 -1.26 -5.06 118.68 121.24 1pjw s LEU 3 Ca -0.07 -2.02 0.01 0.00 0.06 0.00 0.00 54.13 52.11 1pjw s LEU 3 Cb -0.07 -2.00 -0.02 0.00 -0.56 0.00 0.00 46.19 43.54 1pjw s LEU 3 CO -0.01 -0.66 -0.12 0.00 -1.06 0.00 0.00 176.35 174.50 1pjw s ALA 4 N 1.21 2.71 0.42 1.48 0.00 -1.26 -5.12 121.76 121.19 1pjw s ALA 4 Ca 0.07 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 51.20 1pjw s ALA 4 Cb -0.25 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 1pjw s ALA 4 CO -0.01 0.37 0.26 -0.51 0.00 0.00 0.00 175.76 175.86 1pjw s LEU 5 N -0.08 3.21 -0.06 0.00 2.01 -1.26 -4.73 118.68 117.77 1pjw s LEU 5 Ca -0.02 -0.96 -0.04 0.00 0.01 0.00 0.00 54.13 53.12 1pjw s LEU 5 Cb -0.14 -1.66 -0.04 0.00 0.01 0.00 0.00 46.19 44.37 1pjw s LEU 5 CO 0.04 -0.60 0.14 -0.75 1.01 0.00 0.00 176.35 176.19 1pjw s LYS 6 N -4.00 3.37 0.00 1.70 2.20 -1.26 -4.46 119.74 117.28 1pjw s LYS 6 Ca 0.43 -0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.78 1pjw s LYS 6 Cb 0.01 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 1pjw s LYS 6 CO 0.24 0.72 0.00 0.41 -0.36 0.00 0.00 175.35 176.36 1pjw n GLY 7 N 1.50 2.44 2.70 5.54 0.00 -1.26 -5.02 105.19 111.09 1pjw n GLY 7 Ca -0.16 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 1pjw n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pjw s THR 8 N -0.27 0.78 0.02 2.61 -4.23 -1.26 -5.10 115.64 108.18 1pjw s THR 8 Ca 0.00 -1.39 -0.29 0.00 -1.18 0.00 0.00 61.69 58.83 1pjw s THR 8 Cb 0.00 -1.59 0.11 0.00 1.34 0.00 0.00 72.50 72.36 1pjw s THR 8 CO 0.00 -0.70 1.22 0.28 -0.54 0.00 0.00 174.62 174.88 1pjw s THR 9 N 1.60 0.00 0.92 3.99 -1.32 -1.26 -4.86 115.64 114.70 1pjw s THR 9 Ca 0.10 -0.31 -0.11 0.00 -1.21 0.00 0.00 61.69 60.16 1pjw s THR 9 Cb -0.18 -2.01 0.14 0.00 -1.51 0.00 0.00 72.50 68.94 1pjw s THR 9 CO -0.25 0.00 0.27 -1.22 -2.21 0.00 0.00 174.62 171.21 1pjw n TYR 10 N -0.49 -2.22 -1.25 9.09 4.02 -1.26 -4.91 117.16 120.13 1pjw n TYR 10 Ca -0.08 0.09 -0.29 0.00 -0.01 0.00 0.00 57.90 57.62 1pjw n TYR 10 Cb 0.62 -1.38 0.16 0.00 -0.02 0.00 0.00 39.34 38.73 1pjw n TYR 10 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1pjw s GLY 11 N -1.82 1.57 -0.15 2.72 0.00 -1.26 -4.96 107.32 103.42 1pjw s GLY 11 Ca 0.29 -0.36 -0.02 0.00 0.00 0.00 0.00 44.72 44.64 1pjw s GLY 11 CO 0.27 0.23 -0.09 -3.16 0.00 0.00 0.00 173.10 170.35 1pjw s MET 12 N -5.03 3.46 -0.25 2.90 0.23 -1.26 -3.87 119.30 115.49 1pjw s MET 12 Ca 0.65 -0.63 -0.02 0.00 -1.03 0.00 0.00 55.69 54.66 1pjw s MET 12 Cb -0.18 -2.78 0.12 0.00 -1.53 0.00 0.00 34.83 30.46 1pjw s MET 12 CO 0.57 0.14 0.28 0.00 -2.03 0.00 0.00 175.02 173.98 1pjw n THR 14 N 5.32 0.00 0.29 0.00 -1.04 -1.17 -3.89 114.28 113.80 1pjw n THR 14 Ca -0.04 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.07 1pjw n THR 14 Cb 0.48 0.23 0.52 0.00 -1.82 0.00 0.00 70.33 69.74 1pjw n THR 14 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1pjw h GLU 15 N 0.00 0.00 -3.33 -2.82 4.81 -1.88 -3.15 114.58 108.21 1pjw h GLU 15 Ca -0.26 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.41 1pjw h GLU 15 Cb 1.10 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.50 1pjw h GLU 15 CO -0.13 0.00 3.25 1.63 -0.73 0.00 0.00 179.01 183.03 1pjw n LYS 16 N -2.58 2.91 -3.80 1.92 4.76 -1.26 -4.76 118.16 115.34 1pjw n LYS 16 Ca -0.01 -1.94 -0.37 0.00 -2.87 0.00 0.00 58.31 53.12 1pjw n LYS 16 Cb 0.51 -2.72 -0.06 0.00 -1.84 0.00 0.00 35.03 30.92 1pjw n LYS 16 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1pjw s PHE 17 N 2.88 3.59 -0.35 2.13 0.40 -1.19 -2.53 117.98 122.91 1pjw s PHE 17 Ca 0.56 0.57 0.01 0.00 -0.60 0.00 0.00 56.93 57.47 1pjw s PHE 17 Cb 0.15 -2.02 0.11 0.00 0.51 0.00 0.00 43.02 41.76 1pjw s PHE 17 CO -0.04 0.67 0.12 0.45 0.70 0.00 0.00 175.22 177.12 1pjw s SER 18 N -0.85 4.13 -0.10 1.36 0.15 -0.33 -4.90 113.70 113.17 1pjw s SER 18 Ca 0.15 -2.02 -0.33 0.00 0.70 0.00 0.00 55.95 54.46 1pjw s SER 18 Cb -0.13 -1.11 -0.10 0.00 -1.71 0.00 0.00 66.02 62.98 1pjw s SER 18 CO 0.05 -0.37 1.98 2.22 1.20 0.00 0.00 173.24 178.31 1pjw n PHE 19 N 4.37 2.27 0.02 3.44 1.16 -1.26 -0.32 117.46 127.13 1pjw n PHE 19 Ca 0.02 -0.09 0.07 0.00 -1.87 0.00 0.00 57.45 55.58 1pjw n PHE 19 Cb 0.40 -2.70 -0.11 0.00 -1.61 0.00 0.00 39.48 35.47 1pjw n PHE 19 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1pjw n ALA 20 N 7.78 2.56 -2.93 1.98 0.00 0.68 -4.90 120.51 125.67 1pjw n ALA 20 Ca 0.24 -0.33 -0.09 0.00 0.00 0.00 0.00 53.44 53.26 1pjw n ALA 20 Cb 0.34 -0.48 -0.11 0.00 0.00 0.00 0.00 19.45 19.20 1pjw n ALA 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pjw s LYS 21 N -2.94 0.36 0.94 0.00 1.02 -1.15 -5.00 119.74 112.98 1pjw s LYS 21 Ca -0.05 -0.62 -0.12 0.00 0.02 0.00 0.00 55.97 55.20 1pjw s LYS 21 Cb 0.09 0.13 0.16 0.00 -0.52 0.00 0.00 37.83 37.69 1pjw s LYS 21 CO 0.57 -0.07 1.09 -0.80 -0.92 0.00 0.00 175.35 175.23 1pjw s ASN 22 N -1.57 3.01 0.35 2.83 0.01 -1.26 -4.13 114.94 114.19 1pjw s ASN 22 Ca -0.14 1.54 -0.27 0.00 -0.71 0.00 0.00 52.86 53.28 1pjw s ASN 22 Cb -0.08 -2.21 -0.09 0.00 0.41 0.00 0.00 41.25 39.28 1pjw s ASN 22 CO -0.01 -2.94 1.12 -2.16 -1.51 0.00 0.00 177.10 171.60 1pjw s PRO 23 N -4.84 4.30 0.07 -0.60 0.04 -1.26 -4.69 135.00 128.03 1pjw s PRO 23 Ca 0.65 1.77 0.03 0.00 0.04 0.00 0.00 61.00 63.49 1pjw s PRO 23 Cb -0.19 -2.84 -0.03 0.00 0.04 0.00 0.00 34.50 31.47 1pjw s PRO 23 CO 0.58 -0.08 -0.10 0.00 0.04 0.00 0.00 177.00 177.44 1pjw s ALA 24 N -1.37 0.95 -0.11 8.56 0.00 -0.28 -4.85 121.76 124.66 1pjw s ALA 24 Ca 0.52 -1.01 -0.17 0.00 0.00 0.00 0.00 51.96 51.30 1pjw s ALA 24 Cb -0.30 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 1pjw s ALA 24 CO 0.38 0.01 0.45 0.16 0.00 0.00 0.00 175.76 176.75 1pjw s ASP 25 N -2.02 6.66 0.00 0.00 1.47 -1.26 0.36 116.67 121.88 1pjw s ASP 25 Ca -0.01 0.79 0.00 0.00 1.18 0.00 0.00 52.55 54.51 1pjw s ASP 25 Cb -0.07 -2.27 0.00 0.00 -0.34 0.00 0.00 42.92 40.25 1pjw s ASP 25 CO 0.00 0.04 0.00 0.35 0.68 0.00 0.00 175.17 176.25 1pjw n THR 26 N 3.49 0.00 0.00 2.11 -2.24 -0.75 -4.97 114.28 111.91 1pjw n THR 26 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1pjw n THR 26 Cb 0.52 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 1pjw n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pjw n GLY 27 N 2.59 1.53 2.77 3.38 0.00 -1.26 -4.98 105.19 109.22 1pjw n GLY 27 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1pjw n GLY 27 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1pjw s HIS 28 N 0.42 2.06 0.00 1.61 2.46 -1.26 -4.71 115.29 115.87 1pjw s HIS 28 Ca 0.00 -2.09 0.00 0.00 0.47 0.00 0.00 55.06 53.44 1pjw s HIS 28 Cb 0.00 -1.93 0.00 0.00 -0.13 0.00 0.00 32.58 30.52 1pjw s HIS 28 CO 0.00 -0.86 0.00 0.41 -2.47 0.00 0.00 174.74 171.82 1pjw n GLY 29 N 4.42 0.88 3.62 1.59 0.00 -1.26 -5.06 105.19 109.38 1pjw n GLY 29 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1pjw n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pjw s THR 30 N -2.04 4.86 -0.09 2.61 -4.23 -1.26 -4.14 115.64 111.35 1pjw s THR 30 Ca 0.00 -0.00 -0.00 0.00 -1.18 0.00 0.00 61.69 60.50 1pjw s THR 30 Cb 0.00 -3.21 -0.03 0.00 1.34 0.00 0.00 72.50 70.60 1pjw s THR 30 CO 0.00 0.43 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.77 1pjw s VAL 31 N 0.59 3.81 0.02 2.29 1.01 -0.79 -1.82 120.40 125.52 1pjw s VAL 31 Ca 0.04 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 61.67 1pjw s VAL 31 Cb -0.13 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 1pjw s VAL 31 CO 0.01 0.58 -0.21 -0.69 0.00 0.00 0.00 175.10 174.79 1pjw s VAL 32 N -0.56 2.53 -0.01 2.92 1.01 0.16 -1.47 120.40 124.97 1pjw s VAL 32 Ca 0.09 -1.17 -0.04 0.00 0.00 0.00 0.00 61.98 60.85 1pjw s VAL 32 Cb -0.12 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.26 1pjw s VAL 32 CO 0.02 0.42 0.09 -0.51 0.00 0.00 0.00 175.10 175.12 1pjw s ILE 33 N -0.82 0.05 -0.35 2.22 2.07 -0.93 -1.13 121.20 122.31 1pjw s ILE 33 Ca 0.13 -0.40 0.00 0.00 -1.41 0.00 0.00 60.65 58.97 1pjw s ILE 33 Cb -0.10 -0.26 0.09 0.00 0.13 0.00 0.00 42.46 42.31 1pjw s ILE 33 CO 0.03 -0.22 0.09 -0.70 -1.91 0.00 0.00 174.94 172.23 1pjw s GLU 34 N -0.70 1.91 -0.08 3.50 2.12 -1.26 -0.63 118.70 123.56 1pjw s GLU 34 Ca -0.08 -1.71 0.02 0.00 0.36 0.00 0.00 54.97 53.56 1pjw s GLU 34 Cb -0.05 -3.32 -0.02 0.00 0.26 0.00 0.00 34.13 31.00 1pjw s GLU 34 CO 0.00 -0.91 -0.13 -0.51 -0.54 0.00 0.00 175.26 173.18 1pjw s LEU 35 N 1.07 2.79 -0.07 2.70 1.02 0.22 -0.23 118.68 126.19 1pjw s LEU 35 Ca 0.05 -0.21 -0.24 0.00 0.02 0.00 0.00 54.13 53.76 1pjw s LEU 35 Cb -0.21 -1.59 -0.04 0.00 0.02 0.00 0.00 46.19 44.37 1pjw s LEU 35 CO -0.05 0.29 0.71 -0.44 0.02 0.00 0.00 176.35 176.88 1pjw s SER 36 N -0.39 7.00 -0.60 2.29 0.01 0.56 0.12 113.70 122.69 1pjw s SER 36 Ca 0.05 1.20 -0.18 0.00 1.31 0.00 0.00 55.95 58.32 1pjw s SER 36 Cb -0.12 -2.42 0.11 0.00 0.21 0.00 0.00 66.02 63.80 1pjw s SER 36 CO 0.02 -0.13 0.68 -0.47 0.41 0.00 0.00 173.24 173.76 1pjw s TYR 37 N 0.83 3.05 -1.15 2.43 5.04 -1.00 -1.18 117.35 125.37 1pjw s TYR 37 Ca 0.38 -1.05 -0.07 0.00 -2.44 0.00 0.00 57.07 53.89 1pjw s TYR 37 Cb -0.18 -3.98 0.26 0.00 0.35 0.00 0.00 41.96 38.40 1pjw s TYR 37 CO 0.18 -1.25 1.54 0.43 -1.34 0.00 0.00 175.55 175.11 1pjw n SER 38 N 6.12 5.84 -4.06 4.32 7.64 -1.05 -4.08 113.62 128.35 1pjw n SER 38 Ca -0.09 -3.24 -0.29 0.00 1.01 0.00 0.00 58.87 56.25 1pjw n SER 38 Cb 0.42 -1.37 -0.17 0.00 -1.01 0.00 0.00 64.21 62.09 1pjw n SER 38 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1pjw s GLY 39 N -0.26 1.09 -0.34 0.23 0.00 -1.26 -4.90 107.32 101.88 1pjw s GLY 39 Ca 0.34 -0.80 0.04 0.00 0.00 0.00 0.00 44.72 44.30 1pjw s GLY 39 CO 0.04 0.29 1.71 -1.26 0.00 0.00 0.00 173.10 173.88 1pjw n SER 40 N 4.33 3.65 -0.83 1.64 2.88 -1.26 -4.12 113.62 119.91 1pjw n SER 40 Ca -0.19 -3.23 0.10 0.00 -1.33 0.00 0.00 58.87 54.23 1pjw n SER 40 Cb 0.51 -0.76 0.09 0.00 -0.75 0.00 0.00 64.21 63.30 1pjw n SER 40 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1pjw n ASP 41 N -0.72 2.74 0.00 -3.46 5.68 -1.26 -5.08 116.55 114.45 1pjw n ASP 41 Ca 0.46 -1.86 0.00 0.00 -0.50 0.00 0.00 54.79 52.89 1pjw n ASP 41 Cb 1.40 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 41.36 1pjw n ASP 41 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pjw n GLY 42 N 1.16 1.06 3.79 6.12 0.00 -1.26 -5.00 105.19 111.06 1pjw n GLY 42 Ca 0.12 -2.09 -0.35 0.00 0.00 0.00 0.00 46.02 43.71 1pjw n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pjw s PRO 43 N -1.53 3.64 0.03 1.61 0.04 -1.26 -4.99 135.00 132.54 1pjw s PRO 43 Ca 0.00 1.48 -0.28 0.00 0.04 0.00 0.00 61.00 62.24 1pjw s PRO 43 Cb 0.00 -2.09 0.09 0.00 0.04 0.00 0.00 34.50 32.55 1pjw s PRO 43 CO 0.00 -0.58 0.92 0.00 0.04 0.00 0.00 177.00 177.38 1pjw s LYS 45 N -3.13 4.20 -0.46 0.00 -0.14 -1.25 -0.26 119.74 118.70 1pjw s LYS 45 Ca 0.07 2.12 -0.21 0.00 -1.36 0.00 0.00 55.97 56.58 1pjw s LYS 45 Cb -0.01 -2.92 0.03 0.00 -1.68 0.00 0.00 37.83 33.25 1pjw s LYS 45 CO -0.06 -0.28 0.71 0.42 -0.76 0.00 0.00 175.35 175.38 1pjw s ILE 46 N -1.22 4.74 -0.78 2.17 1.01 0.50 0.54 121.20 128.15 1pjw s ILE 46 Ca 0.52 0.11 -0.26 0.00 0.00 0.00 0.00 60.65 61.02 1pjw s ILE 46 Cb -0.37 -4.29 0.01 0.00 0.01 0.00 0.00 42.46 37.82 1pjw s ILE 46 CO 0.49 -0.72 1.58 -2.16 0.00 0.00 0.00 174.94 174.13 1pjw s PRO 47 N 3.03 3.01 -0.14 2.79 0.04 -1.26 -4.57 135.00 137.89 1pjw s PRO 47 Ca 0.24 -0.18 -0.01 0.00 0.04 0.00 0.00 61.00 61.09 1pjw s PRO 47 Cb -0.14 -4.61 0.04 0.00 0.04 0.00 0.00 34.50 29.83 1pjw s PRO 47 CO 0.19 -2.52 -0.03 0.42 0.04 0.00 0.00 177.00 175.10 1pjw s ILE 48 N 7.23 0.82 -0.48 0.56 1.09 -1.26 -2.16 121.20 126.99 1pjw s ILE 48 Ca 0.52 -0.41 -0.20 0.00 -1.10 0.00 0.00 60.65 59.46 1pjw s ILE 48 Cb -0.08 -1.04 0.04 0.00 -1.06 0.00 0.00 42.46 40.33 1pjw s ILE 48 CO 0.09 0.12 0.64 0.68 -0.10 0.00 0.00 174.94 176.37 1pjw s VAL 49 N 1.76 4.84 -0.66 2.92 -7.23 -0.82 -4.93 120.40 116.28 1pjw s VAL 49 Ca 0.02 -0.22 -0.24 0.00 -1.81 0.00 0.00 61.98 59.73 1pjw s VAL 49 Cb -0.15 -4.26 0.06 0.00 0.56 0.00 0.00 36.38 32.59 1pjw s VAL 49 CO -0.07 -0.72 1.03 -0.44 -0.31 0.00 0.00 175.10 174.58 1pjw s SER 50 N 2.39 6.20 0.13 4.85 0.01 -1.26 -2.38 113.70 123.63 1pjw s SER 50 Ca 0.18 -0.78 0.10 0.00 1.31 0.00 0.00 55.95 56.76 1pjw s SER 50 Cb -0.17 -2.45 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 1pjw s SER 50 CO 0.15 -1.49 -0.23 -0.69 0.41 0.00 0.00 173.24 171.38 1pjw s VAL 51 N 4.39 2.47 0.93 3.43 1.01 -0.87 0.28 120.40 132.04 1pjw s VAL 51 Ca 0.26 -1.71 -0.11 0.00 0.00 0.00 0.00 61.98 60.42 1pjw s VAL 51 Cb -0.14 -2.12 0.15 0.00 0.00 0.00 0.00 36.38 34.26 1pjw s VAL 51 CO 0.13 0.07 1.09 0.00 0.00 0.00 0.00 175.10 176.38 1pjw s ALA 52 N -1.17 1.31 -0.57 5.51 0.00 -1.26 0.31 121.76 125.89 1pjw s ALA 52 Ca 0.16 0.02 -0.27 0.00 0.00 0.00 0.00 51.96 51.88 1pjw s ALA 52 Cb -0.10 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 1pjw s ALA 52 CO 0.08 -2.57 1.82 0.45 0.00 0.00 0.00 175.76 175.54 1pjw s SER 53 N -3.21 5.43 0.00 0.00 0.15 0.66 -2.61 113.70 114.11 1pjw s SER 53 Ca 0.64 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.77 1pjw s SER 53 Cb -0.19 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 1pjw s SER 53 CO 0.58 -2.23 0.00 0.18 1.20 0.00 0.00 173.24 172.97 1pjw n LEU 54 N 12.15 0.00 -4.93 3.45 4.77 -1.26 -4.91 117.00 126.27 1pjw n LEU 54 Ca 0.20 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.93 1pjw n LEU 54 Cb 0.51 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.63 1pjw n LEU 54 CO 0.71 0.00 0.47 0.20 -1.33 0.00 0.00 177.39 177.44 1pjw s ASN 55 N 0.00 5.62 -0.17 -1.43 0.01 -1.26 -5.02 114.94 112.68 1pjw s ASN 55 Ca 0.00 0.59 0.04 0.00 -0.71 0.00 0.00 52.86 52.78 1pjw s ASN 55 Cb 0.00 -1.63 -0.13 0.00 0.41 0.00 0.00 41.25 39.90 1pjw s ASN 55 CO 0.00 -1.00 -0.12 -0.67 -1.51 0.00 0.00 177.10 173.81 1pjw n ASP 56 N -2.47 2.34 -0.83 -1.22 -0.08 -1.26 -4.65 116.55 108.38 1pjw n ASP 56 Ca 0.04 -0.08 0.05 0.00 -1.51 0.00 0.00 54.79 53.29 1pjw n ASP 56 Cb 0.58 -0.05 0.17 0.00 2.34 0.00 0.00 41.12 44.16 1pjw n ASP 56 CO 0.00 0.00 0.00 0.80 0.12 0.00 0.00 177.20 178.12 1pjw n MET 57 N -2.93 1.36 -3.95 -0.67 1.56 -1.26 -5.01 117.12 106.23 1pjw n MET 57 Ca -0.30 -3.10 -0.35 0.00 -0.27 0.00 0.00 57.70 53.68 1pjw n MET 57 Cb 0.87 -1.34 -0.14 0.00 2.15 0.00 0.00 33.22 34.76 1pjw n MET 57 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 1pjw s THR 58 N -2.69 3.39 0.08 1.12 2.01 -1.26 -5.08 115.64 113.21 1pjw s THR 58 Ca 0.38 -0.49 -0.31 0.00 0.31 0.00 0.00 61.69 61.58 1pjw s THR 58 Cb 0.37 -2.54 -0.06 0.00 0.01 0.00 0.00 72.50 70.29 1pjw s THR 58 CO -0.08 0.43 1.26 -2.16 -0.69 0.00 0.00 174.62 173.37 1pjw s PRO 59 N 1.41 4.40 0.00 4.92 0.04 -1.26 -4.67 135.00 139.84 1pjw s PRO 59 Ca 0.05 1.87 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1pjw s PRO 59 Cb -0.14 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1pjw s PRO 59 CO -0.03 -0.31 0.00 0.28 0.04 0.00 0.00 177.00 176.98 1pjw n VAL 60 N 3.92 0.00 -1.72 -0.36 0.31 -1.21 -5.00 118.33 114.27 1pjw n VAL 60 Ca 0.10 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.13 1pjw n VAL 60 Cb 0.45 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.45 1pjw n VAL 60 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1pjw s GLY 61 N -2.12 1.63 0.05 2.92 0.00 0.81 -4.69 107.32 105.92 1pjw s GLY 61 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.44 1pjw s GLY 61 CO 0.00 0.12 -0.04 0.50 0.00 0.00 0.00 173.10 173.67 1pjw s ARG 62 N -5.26 0.58 -0.25 2.90 0.52 -1.26 -4.70 118.95 111.48 1pjw s ARG 62 Ca 0.59 -1.05 -0.13 0.00 -0.52 0.00 0.00 55.73 54.63 1pjw s ARG 62 Cb -0.13 0.02 -0.04 0.00 0.52 0.00 0.00 34.95 35.32 1pjw s ARG 62 CO 0.53 -0.05 0.26 -0.51 0.02 0.00 0.00 175.30 175.55 1pjw s LEU 63 N -2.45 4.08 0.22 2.53 1.43 -1.26 -0.19 118.68 123.04 1pjw s LEU 63 Ca 0.01 0.19 0.18 0.00 -1.03 0.00 0.00 54.13 53.47 1pjw s LEU 63 Cb 0.01 -2.26 0.87 0.00 0.03 0.00 0.00 46.19 44.84 1pjw s LEU 63 CO -0.05 -0.05 1.54 0.52 0.23 0.00 0.00 176.35 178.53 1pjw n VAL 64 N 4.72 1.16 -4.42 -1.59 0.31 -0.64 -4.66 118.33 113.21 1pjw n VAL 64 Ca -0.12 0.53 -0.21 0.00 -0.01 0.00 0.00 64.34 64.52 1pjw n VAL 64 Cb 0.52 -1.49 -0.10 0.00 -0.91 0.00 0.00 33.84 31.85 1pjw n VAL 64 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1pjw s THR 65 N -3.35 1.81 1.04 2.52 2.01 -1.26 -5.03 115.64 113.38 1pjw s THR 65 Ca 0.00 -2.18 -0.24 0.00 0.31 0.00 0.00 61.69 59.58 1pjw s THR 65 Cb 0.06 -2.36 -0.09 0.00 0.01 0.00 0.00 72.50 70.12 1pjw s THR 65 CO 0.22 -0.37 -0.97 0.52 -0.69 0.00 0.00 174.62 173.32 1pjw n VAL 66 N -0.56 0.00 -1.50 3.82 0.31 -1.26 -4.70 118.33 114.44 1pjw n VAL 66 Ca -0.06 -0.13 -0.44 0.00 -0.01 0.00 0.00 64.34 63.70 1pjw n VAL 66 Cb 0.62 -0.20 -0.01 0.00 -0.91 0.00 0.00 33.84 33.34 1pjw n VAL 66 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1pjw n ASN 67 N 1.76 -0.14 -4.55 4.52 2.85 -1.26 -4.80 115.26 113.64 1pjw n ASN 67 Ca -0.01 1.04 -0.39 0.00 -0.11 0.00 0.00 54.58 55.11 1pjw n ASN 67 Cb 0.70 -1.15 -0.03 0.00 1.24 0.00 0.00 39.78 40.53 1pjw n ASN 67 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1pjw s PRO 68 N -1.49 3.01 -0.03 1.20 0.04 -1.26 -4.95 135.00 131.52 1pjw s PRO 68 Ca 0.62 -0.05 0.07 0.00 0.04 0.00 0.00 61.00 61.68 1pjw s PRO 68 Cb -0.69 -4.40 -0.02 0.00 0.04 0.00 0.00 34.50 29.43 1pjw s PRO 68 CO 0.58 -2.41 -0.25 -0.59 0.04 0.00 0.00 177.00 174.38 1pjw s PHE 69 N 6.96 2.30 -1.30 0.56 -0.12 -1.26 0.19 117.98 125.32 1pjw s PHE 69 Ca 0.48 -0.52 -0.05 0.00 -0.05 0.00 0.00 56.93 56.79 1pjw s PHE 69 Cb -0.09 -1.49 0.14 0.00 -0.63 0.00 0.00 43.02 40.95 1pjw s PHE 69 CO 0.14 -0.10 2.29 0.28 -0.05 0.00 0.00 175.22 177.79 1pjw n VAL 70 N 2.62 5.24 -1.83 -2.49 0.31 0.64 -4.80 118.33 118.02 1pjw n VAL 70 Ca -0.16 -4.47 -0.36 0.00 -0.01 0.00 0.00 64.34 59.33 1pjw n VAL 70 Cb 0.51 -2.06 -0.02 0.00 -0.91 0.00 0.00 33.84 31.37 1pjw n VAL 70 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pjw n ALA 71 N 1.75 6.75 -2.47 3.52 0.00 -1.26 -2.91 120.51 125.89 1pjw n ALA 71 Ca 0.59 -3.77 -0.11 0.00 0.00 0.00 0.00 53.44 50.15 1pjw n ALA 71 Cb 0.26 -2.64 -0.09 0.00 0.00 0.00 0.00 19.45 16.98 1pjw n ALA 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1pjw s THR 72 N -1.25 0.02 -1.54 0.00 2.01 -1.26 -5.04 115.64 108.57 1pjw s THR 72 Ca 0.56 -1.80 0.24 0.00 0.31 0.00 0.00 61.69 61.00 1pjw s THR 72 Cb 0.23 -2.33 0.06 0.00 0.01 0.00 0.00 72.50 70.48 1pjw s THR 72 CO -0.12 -0.07 1.31 -1.54 -0.69 0.00 0.00 174.62 173.50 1pjw n SER 73 N -0.27 1.16 -0.07 3.53 3.41 -1.26 -4.05 113.62 116.07 1pjw n SER 73 Ca -0.00 -0.93 0.07 0.00 -0.26 0.00 0.00 58.87 57.75 1pjw n SER 73 Cb 0.65 0.39 0.10 0.00 -0.26 0.00 0.00 64.21 65.08 1pjw n SER 73 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1pjw n SER 74 N -0.81 2.14 0.00 4.04 2.88 -1.26 -4.66 113.62 115.95 1pjw n SER 74 Ca 0.09 -2.78 0.04 0.00 -1.33 0.00 0.00 58.87 54.89 1pjw n SER 74 Cb 0.37 -0.32 0.26 0.00 -0.75 0.00 0.00 64.21 63.77 1pjw n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pjw n ALA 75 N -1.16 2.54 0.61 -1.46 0.00 -1.26 -3.47 120.51 116.32 1pjw n ALA 75 Ca 0.12 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.52 1pjw n ALA 75 Cb 0.56 -1.14 0.10 0.00 0.00 0.00 0.00 19.45 18.97 1pjw n ALA 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1pjw n ASN 76 N -0.64 2.09 -2.61 0.00 3.02 -1.26 -3.71 115.26 112.16 1pjw n ASN 76 Ca 0.06 -2.21 -0.09 0.00 -0.03 0.00 0.00 54.58 52.31 1pjw n ASN 76 Cb 0.03 -0.50 -0.02 0.00 -0.61 0.00 0.00 39.78 38.68 1pjw n ASN 76 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1pjw n SER 77 N 0.15 2.05 -4.56 6.41 2.88 -1.23 -4.44 113.62 114.89 1pjw n SER 77 Ca 0.07 -1.63 -0.17 0.00 -1.33 0.00 0.00 58.87 55.81 1pjw n SER 77 Cb 0.46 0.15 -0.07 0.00 -0.75 0.00 0.00 64.21 64.00 1pjw n SER 77 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1pjw s LYS 78 N -2.50 1.81 1.01 -1.46 1.02 -1.26 -2.38 119.74 115.98 1pjw s LYS 78 Ca 0.01 0.12 -0.16 0.00 0.02 0.00 0.00 55.97 55.96 1pjw s LYS 78 Cb 0.00 -4.90 0.21 0.00 -0.52 0.00 0.00 37.83 32.62 1pjw s LYS 78 CO 0.01 -4.31 1.24 0.14 -0.92 0.00 0.00 175.35 171.51 1pjw s VAL 79 N 13.78 1.89 -0.03 3.17 -7.23 0.12 -4.67 120.40 127.43 1pjw s VAL 79 Ca 0.85 0.00 0.01 0.00 -1.81 0.00 0.00 61.98 61.03 1pjw s VAL 79 Cb -0.10 -2.83 0.01 0.00 0.56 0.00 0.00 36.38 34.02 1pjw s VAL 79 CO 0.07 0.00 -0.05 -0.22 -0.31 0.00 0.00 175.10 174.60 1pjw s LEU 80 N -6.17 1.59 0.51 1.32 0.20 -1.26 -0.61 118.68 114.26 1pjw s LEU 80 Ca 0.71 -0.11 0.01 0.00 0.69 0.00 0.00 54.13 55.44 1pjw s LEU 80 Cb -0.07 -0.36 -0.01 0.00 -0.43 0.00 0.00 46.19 45.31 1pjw s LEU 80 CO 0.54 -0.01 0.00 -0.69 -0.29 0.00 0.00 176.35 175.90 1pjw s VAL 81 N 0.49 1.17 -0.12 1.68 1.01 0.20 -4.94 120.40 119.89 1pjw s VAL 81 Ca -0.06 -2.00 -0.10 0.00 0.00 0.00 0.00 61.98 59.82 1pjw s VAL 81 Cb -0.10 -2.17 0.03 0.00 0.00 0.00 0.00 36.38 34.15 1pjw s VAL 81 CO -0.00 0.00 0.31 -1.61 0.00 0.00 0.00 175.10 173.80 1pjw s GLU 82 N -3.88 0.35 -0.21 2.72 2.02 -1.26 -2.19 118.70 116.25 1pjw s GLU 82 Ca 0.06 0.44 -0.19 0.00 0.02 0.00 0.00 54.97 55.30 1pjw s GLU 82 Cb 0.02 0.15 0.06 0.00 0.10 0.00 0.00 34.13 34.46 1pjw s GLU 82 CO 0.03 -0.05 0.57 0.00 0.02 0.00 0.00 175.26 175.83 1pjw s MET 83 N 0.25 0.65 -0.91 1.61 0.23 -0.54 -1.62 119.30 118.97 1pjw s MET 83 Ca -0.01 0.81 -0.01 0.00 -1.03 0.00 0.00 55.69 55.45 1pjw s MET 83 Cb -0.03 0.30 0.25 0.00 -1.53 0.00 0.00 34.83 33.82 1pjw s MET 83 CO -0.00 -0.09 0.94 -0.85 -2.03 0.00 0.00 175.02 172.99 1pjw n GLU 84 N 2.92 3.04 -1.45 3.16 0.28 0.73 -1.89 120.64 127.43 1pjw n GLU 84 Ca -0.14 -4.52 -0.29 0.00 -0.16 0.00 0.00 57.16 52.04 1pjw n GLU 84 Cb 0.56 -2.42 0.15 0.00 1.43 0.00 0.00 31.44 31.16 1pjw n GLU 84 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1pjw s PRO 85 N -1.82 0.90 0.78 3.44 0.04 -1.26 -4.11 135.00 132.97 1pjw s PRO 85 Ca 0.31 0.31 -0.11 0.00 0.04 0.00 0.00 61.00 61.54 1pjw s PRO 85 Cb -0.02 -1.81 0.06 0.00 0.04 0.00 0.00 34.50 32.77 1pjw s PRO 85 CO -0.06 -2.36 1.08 -1.25 0.04 0.00 0.00 177.00 174.45 1pjw s PRO 86 N -5.23 2.22 0.46 0.56 0.04 -1.26 -4.97 135.00 126.82 1pjw s PRO 86 Ca 0.64 0.93 -0.24 0.00 0.04 0.00 0.00 61.00 62.38 1pjw s PRO 86 Cb -0.15 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 1pjw s PRO 86 CO 0.54 -1.60 1.23 -0.59 0.04 0.00 0.00 177.00 176.63 1pjw s PHE 87 N -3.00 2.77 0.00 0.56 -0.12 -1.26 -4.85 117.98 112.07 1pjw s PHE 87 Ca 0.61 1.48 0.00 0.00 -0.05 0.00 0.00 56.93 58.96 1pjw s PHE 87 Cb -0.16 -3.53 0.00 0.00 -0.63 0.00 0.00 43.02 38.71 1pjw s PHE 87 CO 0.56 -1.89 0.00 0.41 -0.05 0.00 0.00 175.22 174.25 1pjw n GLY 88 N 0.57 2.77 3.56 1.99 0.00 -1.26 -4.97 105.19 107.84 1pjw n GLY 88 Ca 0.07 -1.91 -0.39 0.00 0.00 0.00 0.00 46.02 43.79 1pjw n GLY 88 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pjw n ASP 89 N 0.00 0.21 -4.07 1.61 9.92 -1.26 -4.41 116.55 118.55 1pjw n ASP 89 Ca 0.00 0.83 -0.21 0.00 -0.53 0.00 0.00 54.79 54.87 1pjw n ASP 89 Cb 0.00 -1.30 -0.15 0.00 -0.64 0.00 0.00 41.12 39.03 1pjw n ASP 89 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1pjw s SER 90 N -1.12 1.46 -0.55 -2.24 1.04 -0.57 0.24 113.70 111.96 1pjw s SER 90 Ca 0.71 -0.23 -0.21 0.00 0.48 0.00 0.00 55.95 56.70 1pjw s SER 90 Cb -0.46 -0.23 0.06 0.00 0.10 0.00 0.00 66.02 65.49 1pjw s SER 90 CO 0.51 0.13 0.79 -0.31 0.98 0.00 0.00 173.24 175.35 1pjw s TYR 91 N -0.16 2.90 -0.14 5.02 2.02 0.90 -1.35 117.35 126.53 1pjw s TYR 91 Ca 0.02 -0.39 -0.06 0.00 -0.37 0.00 0.00 57.07 56.27 1pjw s TYR 91 Cb -0.06 -3.87 -0.04 0.00 -0.40 0.00 0.00 41.96 37.59 1pjw s TYR 91 CO -0.00 -1.25 0.07 -1.50 -1.57 0.00 0.00 175.55 171.29 1pjw s ILE 92 N 3.30 4.88 -0.19 2.71 2.07 -0.86 -2.05 121.20 131.04 1pjw s ILE 92 Ca 0.21 -0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.44 1pjw s ILE 92 Cb -0.17 -3.14 0.04 0.00 0.13 0.00 0.00 42.46 39.32 1pjw s ILE 92 CO 0.14 0.54 -0.09 -0.69 -1.91 0.00 0.00 174.94 172.92 1pjw s VAL 93 N -0.30 1.55 -0.45 4.00 1.01 -1.00 -0.18 120.40 125.02 1pjw s VAL 93 Ca 0.09 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 60.99 1pjw s VAL 93 Cb -0.12 -1.65 0.08 0.00 0.00 0.00 0.00 36.38 34.70 1pjw s VAL 93 CO 0.02 0.15 0.33 -0.69 0.00 0.00 0.00 175.10 174.91 1pjw s VAL 94 N 1.44 4.64 0.26 2.92 1.01 -0.47 -1.95 120.40 128.24 1pjw s VAL 94 Ca -0.01 -1.33 -0.16 0.00 0.00 0.00 0.00 61.98 60.47 1pjw s VAL 94 Cb -0.16 -3.84 0.01 0.00 0.00 0.00 0.00 36.38 32.38 1pjw s VAL 94 CO -0.08 -0.58 0.58 -0.83 0.00 0.00 0.00 175.10 174.19 1pjw s GLY 95 N 2.44 0.27 -0.10 4.51 0.00 -0.92 -2.49 107.32 111.03 1pjw s GLY 95 Ca 0.04 -0.63 -0.06 0.00 0.00 0.00 0.00 44.72 44.06 1pjw s GLY 95 CO 0.03 -0.40 -0.15 -0.13 0.00 0.00 0.00 173.10 172.46 1pjw n MET 96 N -0.41 0.24 0.00 2.90 1.56 -1.26 -4.46 117.12 115.69 1pjw n MET 96 Ca -0.03 0.10 0.00 0.00 -0.27 0.00 0.00 57.70 57.51 1pjw n MET 96 Cb 0.61 -0.91 0.00 0.00 2.15 0.00 0.00 33.22 35.07 1pjw n MET 96 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1pjw n GLY 97 N 2.33 3.01 0.29 -5.12 0.00 -1.26 -4.97 105.19 99.47 1pjw n GLY 97 Ca -0.20 -1.79 -0.02 0.00 0.00 0.00 0.00 46.02 44.01 1pjw n GLY 97 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1pjw h ASP 98 N 0.00 0.68 -3.27 1.61 3.04 -2.05 -3.40 116.42 113.03 1pjw h ASP 98 Ca 0.00 -0.11 -0.57 0.00 -3.24 0.00 0.00 57.03 53.10 1pjw h ASP 98 Cb 0.00 -0.18 -0.06 0.00 -1.04 0.00 0.00 39.33 38.05 1pjw h ASP 98 CO 0.00 0.68 0.86 -0.75 -2.04 0.00 0.00 179.24 177.99 1pjw s LYS 99 N -5.17 4.06 0.02 4.15 2.47 -1.26 -5.01 119.74 119.00 1pjw s LYS 99 Ca -0.09 1.13 0.00 0.00 -1.56 0.00 0.00 55.97 55.45 1pjw s LYS 99 Cb 0.16 -3.75 -0.02 0.00 -1.46 0.00 0.00 37.83 32.76 1pjw s LYS 99 CO 0.79 -0.91 -0.03 1.14 0.16 0.00 0.00 175.35 176.50 1pjw s GLN 100 N 3.68 0.30 -0.42 4.03 1.03 -1.26 -4.01 119.66 123.01 1pjw s GLN 100 Ca 0.47 -0.55 -0.18 0.00 0.04 0.00 0.00 55.36 55.13 1pjw s GLN 100 Cb -0.13 0.04 0.02 0.00 0.03 0.00 0.00 33.01 32.97 1pjw s GLN 100 CO 0.16 -0.03 0.51 -1.50 -2.54 0.00 0.00 175.29 171.89 1pjw s ILE 101 N -1.26 4.99 -0.18 3.63 1.10 -1.04 -4.90 121.20 123.55 1pjw s ILE 101 Ca -0.13 -0.15 -0.08 0.00 -0.51 0.00 0.00 60.65 59.78 1pjw s ILE 101 Cb -0.09 -4.09 -0.04 0.00 0.15 0.00 0.00 42.46 38.39 1pjw s ILE 101 CO -0.01 -0.47 0.10 0.54 -2.11 0.00 0.00 174.94 172.99 1pjw s ASN 102 N 1.87 5.94 0.41 4.50 4.22 -1.26 -1.37 114.94 129.26 1pjw s ASN 102 Ca 0.16 0.19 0.06 0.00 -2.14 0.00 0.00 52.86 51.13 1pjw s ASN 102 Cb -0.16 -2.00 -0.07 0.00 1.28 0.00 0.00 41.25 40.30 1pjw s ASN 102 CO 0.15 0.22 0.02 -1.00 -2.04 0.00 0.00 177.10 174.45 1pjw s HIS 103 N 0.11 2.35 -0.72 1.54 3.76 0.75 -4.95 115.29 118.12 1pjw s HIS 103 Ca 0.07 -0.76 0.05 0.00 -0.15 0.00 0.00 55.06 54.27 1pjw s HIS 103 Cb -0.12 -1.69 0.17 0.00 1.11 0.00 0.00 32.58 32.06 1pjw s HIS 103 CO -0.00 0.35 0.52 -2.39 -0.85 0.00 0.00 174.74 172.38 1pjw n HIS 104 N -0.98 3.35 -1.64 1.40 1.44 -1.26 -2.02 115.22 115.51 1pjw n HIS 104 Ca -0.07 -4.31 -0.46 0.00 -2.01 0.00 0.00 57.72 50.88 1pjw n HIS 104 Cb 0.67 -0.67 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 1pjw n HIS 104 CO 0.00 0.00 0.00 0.91 -2.81 0.00 0.00 176.34 174.44 1pjw n TRP 105 N 1.96 1.84 -3.68 -1.40 5.03 -0.46 -4.75 117.44 115.98 1pjw n TRP 105 Ca 0.20 0.52 -0.38 0.00 3.03 0.00 0.00 57.50 60.88 1pjw n TRP 105 Cb 0.35 -2.39 -0.10 0.00 -1.03 0.00 0.00 31.31 28.14 1pjw n TRP 105 CO 0.00 0.00 0.00 -1.01 -0.03 0.00 0.00 177.69 176.65 1pjw s HIS 106 N -0.12 3.52 -0.35 -5.99 3.76 -1.26 -1.50 115.29 113.34 1pjw s HIS 106 Ca 0.70 -2.25 0.07 0.00 -0.15 0.00 0.00 55.06 53.43 1pjw s HIS 106 Cb -0.72 -3.34 -0.07 0.00 1.11 0.00 0.00 32.58 29.56 1pjw s HIS 106 CO 0.51 -0.97 0.31 1.17 -0.85 0.00 0.00 174.74 174.91 1pjw n LYS 107 N 4.57 4.56 -1.17 1.40 3.00 -1.26 -4.97 118.16 124.30 1pjw n LYS 107 Ca -0.03 -0.02 -0.36 0.00 -0.00 0.00 0.00 58.31 57.89 1pjw n LYS 107 Cb 0.41 -0.84 0.06 0.00 0.00 0.00 0.00 35.03 34.66 1pjw n LYS 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pjw n ALA 108 N -1.13 -2.55 -3.41 3.14 0.00 -1.26 -4.63 120.51 110.67 1pjw n ALA 108 Ca 0.01 -0.32 -0.14 0.00 0.00 0.00 0.00 53.44 53.00 1pjw n ALA 108 Cb 0.11 -1.65 -0.09 0.00 0.00 0.00 0.00 19.45 17.82 1pjw n ALA 108 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1pjw s GLY 109 N -1.37 -0.38 0.97 0.00 0.00 -1.26 -4.98 107.32 100.29 1pjw s GLY 109 Ca 0.59 1.32 -0.16 0.00 0.00 0.00 0.00 44.72 46.46 1pjw s GLY 109 CO 0.64 1.09 0.75 -1.14 0.00 0.00 0.00 173.10 174.45 1pjw n SER 110 N 2.40 -2.43 0.00 1.64 3.41 -1.26 -5.11 113.62 112.26 1pjw n SER 110 Ca -0.15 -0.87 0.00 0.00 -0.26 0.00 0.00 58.87 57.59 1pjw n SER 110 Cb 0.56 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1pjw n SER 110 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29