#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 2.46 -0.24 -1.24 1.02 -1.26 -5.11 119.74 115.38 1pjw s LYS 2 Ca 0.00 -1.64 -0.02 0.00 0.02 0.00 0.00 55.97 54.33 1pjw s LYS 2 Cb 0.00 -2.35 0.02 0.00 -0.52 0.00 0.00 37.83 34.98 1pjw s LYS 2 CO 0.00 -0.33 -0.06 -1.17 -0.92 0.00 0.00 175.35 172.86 1pjw s LEU 3 N -4.21 3.04 0.57 3.17 0.20 -1.26 -5.11 118.68 115.10 1pjw s LEU 3 Ca 0.47 -0.72 -0.10 0.00 0.69 0.00 0.00 54.13 54.47 1pjw s LEU 3 Cb -0.03 -1.68 -0.04 0.00 -0.43 0.00 0.00 46.19 44.01 1pjw s LEU 3 CO 0.28 -0.09 0.96 0.00 -0.29 0.00 0.00 176.35 177.21 1pjw s ALA 4 N 1.37 3.18 -0.96 5.97 0.00 -1.26 -5.01 121.76 125.05 1pjw s ALA 4 Ca 0.02 -0.18 -0.06 0.00 0.00 0.00 0.00 51.96 51.75 1pjw s ALA 4 Cb -0.16 -2.95 0.24 0.00 0.00 0.00 0.00 23.12 20.25 1pjw s ALA 4 CO -0.05 -0.56 0.89 -0.48 0.00 0.00 0.00 175.76 175.56 1pjw s LEU 5 N -4.97 5.94 0.00 0.00 2.34 -1.26 -5.04 118.68 115.69 1pjw s LEU 5 Ca 0.53 -3.54 0.07 0.00 0.06 0.00 0.00 54.13 51.25 1pjw s LEU 5 Cb -0.11 -2.05 0.07 0.00 -0.56 0.00 0.00 46.19 43.55 1pjw s LEU 5 CO 0.50 -0.26 0.59 0.29 -1.06 0.00 0.00 176.35 176.41 1pjw n LYS 6 N 2.67 0.66 -0.85 1.48 5.02 -1.26 -4.99 118.16 120.88 1pjw n LYS 6 Ca 0.21 -3.16 -0.17 0.00 -2.02 0.00 0.00 58.31 53.16 1pjw n LYS 6 Cb 0.39 0.05 0.07 0.00 -0.02 0.00 0.00 35.03 35.51 1pjw n LYS 6 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pjw n GLY 7 N -1.63 3.98 3.61 0.72 0.00 -1.26 -4.97 105.19 105.63 1pjw n GLY 7 Ca 0.07 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 1pjw n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pjw n THR 8 N -0.09 2.47 -1.08 2.61 -2.24 -1.26 -4.86 114.28 109.83 1pjw n THR 8 Ca 0.35 -0.50 -0.36 0.00 -2.27 0.00 0.00 64.05 61.26 1pjw n THR 8 Cb 0.83 -1.14 0.05 0.00 -2.10 0.00 0.00 70.33 67.97 1pjw n THR 8 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1pjw n THR 9 N -0.54 0.42 -3.59 4.28 -1.04 -1.26 -4.98 114.28 107.56 1pjw n THR 9 Ca 0.10 -0.43 0.02 0.00 -2.04 0.00 0.00 64.05 61.69 1pjw n THR 9 Cb 0.39 -0.27 -0.01 0.00 -1.82 0.00 0.00 70.33 68.62 1pjw n THR 9 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1pjw s TYR 10 N -2.04 -0.03 -0.68 -1.42 2.02 -1.26 -5.09 117.35 108.85 1pjw s TYR 10 Ca 0.52 -0.02 -0.25 0.00 -0.37 0.00 0.00 57.07 56.96 1pjw s TYR 10 Cb -0.29 0.52 0.05 0.00 -0.40 0.00 0.00 41.96 41.83 1pjw s TYR 10 CO 0.71 -0.13 1.12 0.20 -1.57 0.00 0.00 175.55 175.88 1pjw s GLY 11 N -2.80 1.14 -0.44 0.71 0.00 -1.26 -4.98 107.32 99.69 1pjw s GLY 11 Ca 0.14 -1.48 -0.27 0.00 0.00 0.00 0.00 44.72 43.11 1pjw s GLY 11 CO -0.05 2.36 1.01 1.06 0.00 0.00 0.00 173.10 177.48 1pjw s MET 12 N 4.87 3.70 -0.23 2.90 -1.94 -1.26 -3.80 119.30 123.54 1pjw s MET 12 Ca 0.30 0.45 -0.03 0.00 -1.71 0.00 0.00 55.69 54.71 1pjw s MET 12 Cb -0.12 -3.88 0.12 0.00 2.01 0.00 0.00 34.83 32.96 1pjw s MET 12 CO 0.15 -1.19 0.32 0.00 -0.01 0.00 0.00 175.02 174.28 1pjw n THR 14 N 5.34 0.00 0.89 0.00 -1.04 -1.26 -4.46 114.28 113.76 1pjw n THR 14 Ca -0.04 -1.49 0.00 0.00 -2.04 0.00 0.00 64.05 60.48 1pjw n THR 14 Cb 0.50 1.01 0.00 0.00 -1.82 0.00 0.00 70.33 70.02 1pjw n THR 14 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1pjw n GLU 15 N -0.56 0.89 -3.08 -2.82 0.28 -1.26 -4.16 120.64 109.93 1pjw n GLU 15 Ca -0.03 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.74 1pjw n GLU 15 Cb 0.84 -1.12 -0.04 0.00 1.43 0.00 0.00 31.44 32.55 1pjw n GLU 15 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1pjw n LYS 16 N 0.46 2.15 -3.45 3.44 4.76 -1.26 -4.99 118.16 119.27 1pjw n LYS 16 Ca 0.00 -4.17 -0.36 0.00 -2.87 0.00 0.00 58.31 50.92 1pjw n LYS 16 Cb 0.41 -1.98 -0.06 0.00 -1.84 0.00 0.00 35.03 31.56 1pjw n LYS 16 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1pjw s PHE 17 N -2.90 3.64 -0.29 2.13 5.36 -1.26 -0.26 117.98 124.41 1pjw s PHE 17 Ca 0.44 0.98 0.01 0.00 -0.96 0.00 0.00 56.93 57.40 1pjw s PHE 17 Cb 0.30 -2.30 0.08 0.00 -0.34 0.00 0.00 43.02 40.77 1pjw s PHE 17 CO -0.11 0.51 0.03 -1.12 -1.46 0.00 0.00 175.22 173.08 1pjw s SER 18 N -1.57 4.07 -0.55 6.13 0.01 0.16 -4.89 113.70 117.06 1pjw s SER 18 Ca 0.33 -1.56 -0.26 0.00 1.31 0.00 0.00 55.95 55.77 1pjw s SER 18 Cb -0.15 -1.13 -0.07 0.00 0.21 0.00 0.00 66.02 64.88 1pjw s SER 18 CO 0.18 -0.34 2.35 -0.36 0.41 0.00 0.00 173.24 175.48 1pjw s PHE 19 N 1.39 1.15 0.02 2.43 0.08 -1.26 -0.31 117.98 121.48 1pjw s PHE 19 Ca 0.04 1.55 0.03 0.00 0.12 0.00 0.00 56.93 58.68 1pjw s PHE 19 Cb -0.18 -3.61 -0.25 0.00 -0.57 0.00 0.00 43.02 38.41 1pjw s PHE 19 CO -0.14 -2.35 0.90 0.00 -0.10 0.00 0.00 175.22 173.53 1pjw h ALA 20 N 18.04 0.43 -3.17 5.36 0.00 -1.10 -3.47 119.26 135.35 1pjw h ALA 20 Ca -0.20 -1.16 -0.18 0.00 0.00 0.00 0.00 54.91 53.37 1pjw h ALA 20 Cb 1.21 0.23 -0.24 0.00 0.00 0.00 0.00 17.79 19.00 1pjw h ALA 20 CO 1.14 1.29 -0.60 0.15 0.00 0.00 0.00 179.25 181.23 1pjw s LYS 21 N -2.63 0.26 0.84 0.00 1.02 -0.78 -4.99 119.74 113.46 1pjw s LYS 21 Ca -0.06 -0.20 -0.11 0.00 0.02 0.00 0.00 55.97 55.63 1pjw s LYS 21 Cb 0.08 0.11 0.10 0.00 -0.52 0.00 0.00 37.83 37.59 1pjw s LYS 21 CO 0.83 -0.05 1.10 0.54 -0.92 0.00 0.00 175.35 176.86 1pjw s ASN 22 N -0.72 3.85 0.01 2.83 2.20 -1.26 -3.89 114.94 117.95 1pjw s ASN 22 Ca -0.08 1.84 -0.30 0.00 -0.94 0.00 0.00 52.86 53.38 1pjw s ASN 22 Cb -0.05 -2.47 -0.05 0.00 -2.00 0.00 0.00 41.25 36.68 1pjw s ASN 22 CO 0.00 -2.45 1.35 -2.16 -2.94 0.00 0.00 177.10 170.90 1pjw s PRO 23 N -4.84 4.31 0.15 3.55 0.04 -1.26 -4.68 135.00 132.27 1pjw s PRO 23 Ca 0.63 1.92 0.10 0.00 0.04 0.00 0.00 61.00 63.68 1pjw s PRO 23 Cb -0.19 -3.52 -0.04 0.00 0.04 0.00 0.00 34.50 30.79 1pjw s PRO 23 CO 0.57 -0.52 -0.22 0.00 0.04 0.00 0.00 177.00 176.88 1pjw s ALA 24 N 2.13 2.14 -0.11 8.56 0.00 -0.52 -4.89 121.76 129.07 1pjw s ALA 24 Ca 0.62 -1.46 -0.19 0.00 0.00 0.00 0.00 51.96 50.94 1pjw s ALA 24 Cb -0.31 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 1pjw s ALA 24 CO 0.26 0.36 0.52 0.16 0.00 0.00 0.00 175.76 177.07 1pjw s ASP 25 N -2.36 6.74 0.00 0.00 1.47 -1.26 -0.17 116.67 121.09 1pjw s ASP 25 Ca 0.14 0.88 0.15 0.00 1.18 0.00 0.00 52.55 54.91 1pjw s ASP 25 Cb -0.08 -2.31 0.10 0.00 -0.34 0.00 0.00 42.92 40.29 1pjw s ASP 25 CO 0.07 -0.02 0.96 0.41 0.68 0.00 0.00 175.17 177.26 1pjw n THR 26 N 3.69 0.00 0.00 2.11 -1.04 -0.20 -4.96 114.28 113.88 1pjw n THR 26 Ca -0.06 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.47 1pjw n THR 26 Cb 0.52 1.30 0.00 0.00 -1.82 0.00 0.00 70.33 70.32 1pjw n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pjw n GLY 27 N 0.89 1.04 3.13 3.41 0.00 -1.26 -5.02 105.19 107.39 1pjw n GLY 27 Ca 0.09 0.27 -0.37 0.00 0.00 0.00 0.00 46.02 46.01 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 1.78 3.54 0.00 1.61 2.46 -1.26 -4.52 115.29 118.90 1pjw s HIS 28 Ca 0.00 -2.36 0.00 0.00 0.47 0.00 0.00 55.06 53.17 1pjw s HIS 28 Cb 0.00 -3.28 0.00 0.00 -0.13 0.00 0.00 32.58 29.17 1pjw s HIS 28 CO 0.00 -0.96 0.00 0.41 -2.47 0.00 0.00 174.74 171.72 1pjw n GLY 29 N 4.47 0.97 2.82 1.59 0.00 -1.26 -5.06 105.19 108.73 1pjw n GLY 29 Ca -0.02 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.00 1.04 -0.28 2.61 -4.23 -1.26 -4.26 115.64 107.26 1pjw s THR 30 Ca 0.00 -1.05 -0.05 0.00 -1.18 0.00 0.00 61.69 59.42 1pjw s THR 30 Cb 0.00 -1.51 0.02 0.00 1.34 0.00 0.00 72.50 72.34 1pjw s THR 30 CO 0.00 -0.28 0.02 -0.69 -0.54 0.00 0.00 174.62 173.13 1pjw s VAL 31 N 1.60 3.51 -0.03 2.29 1.01 0.85 -1.03 120.40 128.59 1pjw s VAL 31 Ca -0.00 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 61.01 1pjw s VAL 31 Cb -0.18 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 1pjw s VAL 31 CO -0.11 0.12 0.36 0.68 0.00 0.00 0.00 175.10 176.15 1pjw s VAL 32 N 1.42 5.13 -0.05 2.92 -7.23 0.76 -0.41 120.40 122.94 1pjw s VAL 32 Ca 0.01 0.72 -0.04 0.00 -1.81 0.00 0.00 61.98 60.86 1pjw s VAL 32 Cb -0.17 -3.66 0.02 0.00 0.56 0.00 0.00 36.38 33.13 1pjw s VAL 32 CO -0.00 0.58 0.13 -0.51 -0.31 0.00 0.00 175.10 174.98 1pjw s ILE 33 N -0.98 -0.01 -0.24 -0.62 -1.16 -0.38 -1.44 121.20 116.37 1pjw s ILE 33 Ca 0.22 0.05 -0.03 0.00 -0.51 0.00 0.00 60.65 60.38 1pjw s ILE 33 Cb -0.16 -0.20 0.01 0.00 0.61 0.00 0.00 42.46 42.72 1pjw s ILE 33 CO 0.11 0.02 -0.04 -0.70 -2.81 0.00 0.00 174.94 171.52 1pjw s GLU 34 N 0.36 3.09 0.00 3.50 2.12 -1.25 0.21 118.70 126.73 1pjw s GLU 34 Ca -0.02 -0.81 0.05 0.00 0.36 0.00 0.00 54.97 54.54 1pjw s GLU 34 Cb -0.04 -3.04 -0.01 0.00 0.26 0.00 0.00 34.13 31.30 1pjw s GLU 34 CO -0.01 -0.32 -0.16 -0.51 -0.54 0.00 0.00 175.26 173.72 1pjw s LEU 35 N 1.41 2.07 -0.18 2.70 1.02 -0.44 -0.45 118.68 124.81 1pjw s LEU 35 Ca 0.03 -0.34 -0.23 0.00 0.02 0.00 0.00 54.13 53.61 1pjw s LEU 35 Cb -0.16 -0.78 -0.02 0.00 0.02 0.00 0.00 46.19 45.26 1pjw s LEU 35 CO -0.03 0.16 0.73 -0.94 0.02 0.00 0.00 176.35 176.28 1pjw s SER 36 N -0.59 6.82 -0.59 2.29 1.04 0.58 -0.04 113.70 123.21 1pjw s SER 36 Ca 0.05 1.00 -0.21 0.00 0.48 0.00 0.00 55.95 57.28 1pjw s SER 36 Cb -0.07 -2.40 0.08 0.00 0.10 0.00 0.00 66.02 63.73 1pjw s SER 36 CO -0.00 -0.33 0.80 -0.47 0.98 0.00 0.00 173.24 174.22 1pjw s TYR 37 N 2.01 2.88 -1.15 5.02 5.04 -1.00 -0.67 117.35 129.47 1pjw s TYR 37 Ca 0.33 -0.64 -0.06 0.00 -2.44 0.00 0.00 57.07 54.26 1pjw s TYR 37 Cb -0.16 -4.02 0.26 0.00 0.35 0.00 0.00 41.96 38.38 1pjw s TYR 37 CO 0.11 -1.37 1.64 0.45 -1.34 0.00 0.00 175.55 175.05 1pjw n SER 38 N 6.88 6.03 -4.41 4.32 2.88 0.64 -4.01 113.62 125.94 1pjw n SER 38 Ca -0.06 -3.32 -0.34 0.00 -1.33 0.00 0.00 58.87 53.83 1pjw n SER 38 Cb 0.44 -1.34 -0.13 0.00 -0.75 0.00 0.00 64.21 62.43 1pjw n SER 38 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1pjw s GLY 39 N -0.87 1.64 0.00 0.46 0.00 -1.26 -4.64 107.32 102.64 1pjw s GLY 39 Ca 0.34 -0.92 0.11 0.00 0.00 0.00 0.00 44.72 44.25 1pjw s GLY 39 CO 0.07 0.01 1.31 -1.14 0.00 0.00 0.00 173.10 173.34 1pjw n SER 40 N 3.82 0.00 -0.50 1.64 3.41 -1.26 -2.80 113.62 117.92 1pjw n SER 40 Ca -0.18 -1.39 0.12 0.00 -0.26 0.00 0.00 58.87 57.16 1pjw n SER 40 Cb 0.52 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.63 1pjw n SER 40 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1pjw n ASP 41 N -0.70 1.87 0.00 4.04 2.03 -1.26 -5.05 116.55 117.48 1pjw n ASP 41 Ca 0.08 -1.42 0.00 0.00 0.52 0.00 0.00 54.79 53.97 1pjw n ASP 41 Cb 0.04 0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 1pjw n ASP 41 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pjw n GLY 42 N 1.37 0.37 3.77 0.27 0.00 -1.12 -4.82 105.19 105.02 1pjw n GLY 42 Ca 0.12 -0.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.81 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 0.00 4.26 -0.03 1.61 0.04 -1.25 -4.85 135.00 134.76 1pjw s PRO 43 Ca 0.00 1.89 -0.30 0.00 0.04 0.00 0.00 61.00 62.63 1pjw s PRO 43 Cb 0.00 -2.87 0.11 0.00 0.04 0.00 0.00 34.50 31.78 1pjw s PRO 43 CO 0.00 -0.16 1.03 0.00 0.04 0.00 0.00 177.00 177.91 1pjw s LYS 45 N -2.88 3.78 -0.23 0.00 -0.14 -1.25 -2.56 119.74 116.46 1pjw s LYS 45 Ca 0.08 1.20 -0.29 0.00 -1.36 0.00 0.00 55.97 55.60 1pjw s LYS 45 Cb -0.00 -3.95 -0.01 0.00 -1.68 0.00 0.00 37.83 32.18 1pjw s LYS 45 CO -0.06 -1.30 1.34 0.42 -0.76 0.00 0.00 175.35 175.00 1pjw s ILE 46 N 4.86 4.12 -1.42 2.17 1.01 0.94 -3.07 121.20 129.80 1pjw s ILE 46 Ca 0.60 1.30 -0.13 0.00 0.00 0.00 0.00 60.65 62.42 1pjw s ILE 46 Cb -0.17 -4.01 0.06 0.00 0.01 0.00 0.00 42.46 38.35 1pjw s ILE 46 CO 0.27 -0.31 2.16 -0.81 0.00 0.00 0.00 174.94 176.25 1pjw n PRO 47 N 7.08 3.00 -4.60 2.79 -0.04 -1.26 -4.76 135.00 137.21 1pjw n PRO 47 Ca 0.15 -2.78 -0.30 0.00 -0.04 0.00 0.00 63.50 60.53 1pjw n PRO 47 Cb 0.46 -3.22 -0.13 0.00 -0.04 0.00 0.00 33.50 30.56 1pjw n PRO 47 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1pjw s ILE 48 N 2.68 2.50 -0.01 0.52 1.09 -1.26 -1.02 121.20 125.69 1pjw s ILE 48 Ca 0.46 -1.44 0.05 0.00 -1.10 0.00 0.00 60.65 58.62 1pjw s ILE 48 Cb 0.13 -2.06 -0.01 0.00 -1.06 0.00 0.00 42.46 39.45 1pjw s ILE 48 CO -0.07 0.24 -0.17 0.54 -0.10 0.00 0.00 174.94 175.39 1pjw s VAL 49 N -0.96 1.33 -0.46 2.92 0.11 -0.99 -4.99 120.40 117.35 1pjw s VAL 49 Ca 0.14 -0.74 -0.09 0.00 -2.93 0.00 0.00 61.98 58.37 1pjw s VAL 49 Cb -0.10 -1.11 0.11 0.00 -1.53 0.00 0.00 36.38 33.75 1pjw s VAL 49 CO 0.05 0.36 0.33 -0.44 -3.33 0.00 0.00 175.10 172.07 1pjw s SER 50 N -0.44 5.66 0.20 3.54 0.01 -1.26 -1.56 113.70 119.85 1pjw s SER 50 Ca 0.06 -1.88 0.07 0.00 1.31 0.00 0.00 55.95 55.51 1pjw s SER 50 Cb -0.07 -1.99 -0.04 0.00 0.21 0.00 0.00 66.02 64.13 1pjw s SER 50 CO -0.00 -0.67 0.11 -0.69 0.41 0.00 0.00 173.24 172.40 1pjw s VAL 51 N 1.35 4.19 0.84 3.43 1.01 -0.78 0.69 120.40 131.12 1pjw s VAL 51 Ca 0.06 -1.35 -0.11 0.00 0.00 0.00 0.00 61.98 60.57 1pjw s VAL 51 Cb -0.26 -3.18 0.09 0.00 0.00 0.00 0.00 36.38 33.04 1pjw s VAL 51 CO -0.01 -0.21 1.09 0.00 0.00 0.00 0.00 175.10 175.97 1pjw s ALA 52 N -1.93 1.93 -0.60 5.51 0.00 -1.26 0.30 121.76 125.70 1pjw s ALA 52 Ca 0.31 -0.08 -0.27 0.00 0.00 0.00 0.00 51.96 51.92 1pjw s ALA 52 Cb -0.09 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 1pjw s ALA 52 CO 0.22 -2.01 1.79 0.45 0.00 0.00 0.00 175.76 176.21 1pjw s SER 53 N -3.62 5.42 0.00 0.00 0.15 0.27 -2.50 113.70 113.42 1pjw s SER 53 Ca 0.62 0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.60 1pjw s SER 53 Cb -0.16 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1pjw s SER 53 CO 0.56 -2.26 0.00 -0.11 1.20 0.00 0.00 173.24 172.62 1pjw n LEU 54 N 12.20 0.00 -4.87 3.45 -0.00 -1.26 -4.89 117.00 121.63 1pjw n LEU 54 Ca 0.19 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.89 1pjw n LEU 54 Cb 0.51 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.90 1pjw n LEU 54 CO 0.71 0.00 0.52 0.20 -0.00 0.00 0.00 177.39 178.82 1pjw s ASN 55 N -0.65 6.53 -0.06 1.96 0.01 -1.26 -4.99 114.94 116.48 1pjw s ASN 55 Ca 0.00 1.26 0.14 0.00 -0.71 0.00 0.00 52.86 53.56 1pjw s ASN 55 Cb 0.00 -2.38 -0.21 0.00 0.41 0.00 0.00 41.25 39.07 1pjw s ASN 55 CO 0.00 -0.48 0.23 0.47 -1.51 0.00 0.00 177.10 175.81 1pjw n ASP 56 N -1.48 1.56 -1.88 -1.22 9.92 -1.26 -4.59 116.55 117.61 1pjw n ASP 56 Ca 0.04 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.20 1pjw n ASP 56 Cb 0.54 1.39 0.06 0.00 -0.64 0.00 0.00 41.12 42.48 1pjw n ASP 56 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 1pjw n MET 57 N -2.20 2.45 -3.68 -1.24 1.56 -1.26 -4.97 117.12 107.78 1pjw n MET 57 Ca -0.10 -3.65 -0.29 0.00 -0.27 0.00 0.00 57.70 53.40 1pjw n MET 57 Cb 0.59 -1.79 -0.15 0.00 2.15 0.00 0.00 33.22 34.02 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 -3.72 0.52 -0.02 1.12 2.01 -1.26 -5.11 115.64 109.17 1pjw s THR 58 Ca 0.41 -0.96 -0.30 0.00 0.31 0.00 0.00 61.69 61.15 1pjw s THR 58 Cb 0.38 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 1pjw s THR 58 CO -0.02 -0.54 1.27 -2.16 -0.69 0.00 0.00 174.62 172.47 1pjw s PRO 59 N 1.82 4.34 0.00 4.92 0.04 -1.26 -4.71 135.00 140.14 1pjw s PRO 59 Ca 0.06 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1pjw s PRO 59 Cb -0.17 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 30.84 1pjw s PRO 59 CO -0.23 -0.46 0.00 1.33 0.04 0.00 0.00 177.00 177.68 1pjw n VAL 60 N 4.54 0.00 -1.30 -0.36 0.24 -1.25 -5.03 118.33 115.17 1pjw n VAL 60 Ca 0.11 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.13 1pjw n VAL 60 Cb 0.45 -0.17 0.17 0.00 -1.47 0.00 0.00 33.84 32.82 1pjw n VAL 60 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1pjw s GLY 61 N -1.29 1.57 0.04 7.63 0.00 0.22 -4.83 107.32 110.66 1pjw s GLY 61 Ca 0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 44.72 44.21 1pjw s GLY 61 CO 0.00 0.13 -0.02 0.50 0.00 0.00 0.00 173.10 173.71 1pjw s ARG 62 N -5.13 0.50 -0.33 2.90 0.52 -1.26 -4.68 118.95 111.47 1pjw s ARG 62 Ca 0.66 -0.96 -0.19 0.00 -0.52 0.00 0.00 55.73 54.72 1pjw s ARG 62 Cb -0.16 0.18 -0.01 0.00 0.52 0.00 0.00 34.95 35.48 1pjw s ARG 62 CO 0.56 -0.09 0.56 -0.51 0.02 0.00 0.00 175.30 175.84 1pjw s LEU 63 N -2.32 4.25 0.12 2.53 1.02 -1.26 0.00 118.68 123.01 1pjw s LEU 63 Ca -0.02 0.17 -0.02 0.00 0.02 0.00 0.00 54.13 54.27 1pjw s LEU 63 Cb 0.01 -2.68 -0.15 0.00 0.02 0.00 0.00 46.19 43.38 1pjw s LEU 63 CO -0.06 -0.48 1.26 1.62 0.02 0.00 0.00 176.35 178.70 1pjw h VAL 64 N 5.59 1.47 -3.97 -1.59 3.04 -1.59 -3.46 116.25 115.75 1pjw h VAL 64 Ca -0.27 -2.76 -0.46 0.00 -1.01 0.00 0.00 66.70 62.19 1pjw h VAL 64 Cb 1.12 2.65 0.11 0.00 -2.01 0.00 0.00 31.29 33.17 1pjw h VAL 64 CO 0.79 0.81 0.34 0.28 -1.01 0.00 0.00 177.57 178.77 1pjw s THR 65 N -2.99 2.09 0.98 3.17 -1.32 -1.15 -4.99 115.64 111.43 1pjw s THR 65 Ca -0.04 -0.13 -0.17 0.00 -1.21 0.00 0.00 61.69 60.14 1pjw s THR 65 Cb 0.08 -2.96 -0.13 0.00 -1.51 0.00 0.00 72.50 67.99 1pjw s THR 65 CO 0.86 0.00 -0.68 0.52 -2.21 0.00 0.00 174.62 173.12 1pjw n VAL 66 N -3.31 0.01 -0.96 5.08 0.31 -1.26 -4.76 118.33 113.43 1pjw n VAL 66 Ca 0.11 -0.47 -0.35 0.00 -0.01 0.00 0.00 64.34 63.62 1pjw n VAL 66 Cb 0.60 -0.06 0.08 0.00 -0.91 0.00 0.00 33.84 33.55 1pjw n VAL 66 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1pjw n ASN 67 N 3.01 -3.65 -3.47 4.52 4.13 -1.26 -4.68 115.26 113.86 1pjw n ASN 67 Ca -0.01 0.32 -0.36 0.00 1.68 0.00 0.00 54.58 56.21 1pjw n ASN 67 Cb 0.56 -1.01 -0.03 0.00 -1.54 0.00 0.00 39.78 37.76 1pjw n ASN 67 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1pjw n PRO 68 N 0.29 2.18 -4.11 3.52 -0.04 -1.26 -4.84 135.00 130.74 1pjw n PRO 68 Ca 0.04 -1.91 -0.29 0.00 -0.04 0.00 0.00 63.50 61.30 1pjw n PRO 68 Cb 0.54 -2.83 -0.17 0.00 -0.04 0.00 0.00 33.50 31.00 1pjw n PRO 68 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1pjw s PHE 69 N 3.85 1.91 -1.41 0.54 0.08 -1.26 -0.04 117.98 121.65 1pjw s PHE 69 Ca 0.51 -0.99 -0.07 0.00 0.12 0.00 0.00 56.93 56.50 1pjw s PHE 69 Cb 0.13 -1.43 0.06 0.00 -0.57 0.00 0.00 43.02 41.21 1pjw s PHE 69 CO 0.01 -0.57 2.53 1.33 -0.10 0.00 0.00 175.22 178.42 1pjw n VAL 70 N 4.65 4.89 -0.76 -0.44 0.24 -1.06 -4.82 118.33 121.04 1pjw n VAL 70 Ca -0.16 -3.79 -0.22 0.00 -2.04 0.00 0.00 64.34 58.13 1pjw n VAL 70 Cb 0.50 -2.26 -0.02 0.00 -1.47 0.00 0.00 33.84 30.59 1pjw n VAL 70 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pjw n ALA 71 N 2.47 4.83 -2.41 2.33 0.00 -1.26 -3.71 120.51 122.75 1pjw n ALA 71 Ca 0.66 -2.01 -0.08 0.00 0.00 0.00 0.00 53.44 52.01 1pjw n ALA 71 Cb 0.25 -2.97 -0.09 0.00 0.00 0.00 0.00 19.45 16.64 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 3.24 0.17 -0.96 0.00 2.01 -1.26 -4.99 115.64 113.86 1pjw s THR 72 Ca 0.41 -1.42 0.26 0.00 0.31 0.00 0.00 61.69 61.26 1pjw s THR 72 Cb 0.11 -1.26 0.10 0.00 0.01 0.00 0.00 72.50 71.47 1pjw s THR 72 CO -0.03 -0.78 1.60 -1.20 -0.69 0.00 0.00 174.62 173.51 1pjw n SER 73 N 0.30 0.36 -0.35 3.53 7.64 -1.26 -3.59 113.62 120.24 1pjw n SER 73 Ca -0.16 0.08 0.06 0.00 1.01 0.00 0.00 58.87 59.85 1pjw n SER 73 Cb 0.60 -0.06 0.12 0.00 -1.01 0.00 0.00 64.21 63.87 1pjw n SER 73 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1pjw n SER 74 N -1.59 2.69 -0.07 6.43 2.88 -1.26 -4.59 113.62 118.12 1pjw n SER 74 Ca 0.06 -2.49 0.00 0.00 -1.33 0.00 0.00 58.87 55.11 1pjw n SER 74 Cb 0.35 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 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 -0.50 2.50 0.77 -1.46 0.00 -1.24 -3.53 120.51 117.05 1pjw n ALA 75 Ca 0.11 -0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.56 1pjw n ALA 75 Cb 0.52 -1.00 0.11 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.42 1.93 -2.66 0.00 5.03 -1.26 -3.76 115.26 114.12 1pjw n ASN 76 Ca 0.00 -2.17 -0.09 0.00 0.87 0.00 0.00 54.58 53.19 1pjw n ASN 76 Cb 0.03 -0.40 -0.02 0.00 -1.02 0.00 0.00 39.78 38.38 1pjw n ASN 76 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1pjw n SER 77 N 0.17 2.15 -4.56 6.41 3.41 -1.23 -4.41 113.62 115.56 1pjw n SER 77 Ca 0.08 -1.64 -0.18 0.00 -0.26 0.00 0.00 58.87 56.88 1pjw n SER 77 Cb 0.40 0.14 -0.07 0.00 -0.26 0.00 0.00 64.21 64.42 1pjw n SER 77 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1pjw s LYS 78 N -2.51 1.84 1.01 4.33 3.01 -1.26 -2.39 119.74 123.77 1pjw s LYS 78 Ca 0.01 0.12 -0.16 0.00 -1.01 0.00 0.00 55.97 54.93 1pjw s LYS 78 Cb 0.00 -4.90 0.21 0.00 -1.01 0.00 0.00 37.83 32.13 1pjw s LYS 78 CO 0.01 -4.27 1.22 0.14 0.51 0.00 0.00 175.35 172.96 1pjw s VAL 79 N 13.66 1.89 -0.09 3.17 -7.23 0.94 -4.69 120.40 128.05 1pjw s VAL 79 Ca 0.85 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 61.03 1pjw s VAL 79 Cb -0.10 -2.82 0.01 0.00 0.56 0.00 0.00 36.38 34.04 1pjw s VAL 79 CO 0.07 0.00 -0.14 -0.22 -0.31 0.00 0.00 175.10 174.50 1pjw s LEU 80 N -6.18 1.66 0.41 1.32 0.20 -1.26 -1.33 118.68 113.49 1pjw s LEU 80 Ca 0.71 -0.37 0.07 0.00 0.69 0.00 0.00 54.13 55.23 1pjw s LEU 80 Cb -0.08 -0.98 -0.07 0.00 -0.43 0.00 0.00 46.19 44.63 1pjw s LEU 80 CO 0.54 0.02 0.05 -0.69 -0.29 0.00 0.00 176.35 175.97 1pjw s VAL 81 N 0.87 2.10 -0.01 1.68 1.01 0.13 -4.96 120.40 121.22 1pjw s VAL 81 Ca -0.10 -1.93 0.01 0.00 0.00 0.00 0.00 61.98 59.96 1pjw s VAL 81 Cb -0.15 -2.98 0.01 0.00 0.00 0.00 0.00 36.38 33.25 1pjw s VAL 81 CO 0.01 -0.01 -0.01 -0.70 0.00 0.00 0.00 175.10 174.39 1pjw s GLU 82 N -3.75 0.21 0.03 2.72 2.12 -1.26 -1.25 118.70 117.51 1pjw s GLU 82 Ca 0.36 -0.01 0.01 0.00 0.36 0.00 0.00 54.97 55.70 1pjw s GLU 82 Cb 0.08 -0.29 -0.02 0.00 0.26 0.00 0.00 34.13 34.16 1pjw s GLU 82 CO 0.19 -0.03 -0.05 -1.64 -0.54 0.00 0.00 175.26 173.19 1pjw s MET 83 N 0.41 0.40 -0.72 4.30 -1.94 0.46 -1.62 119.30 120.58 1pjw s MET 83 Ca -0.04 -0.64 0.04 0.00 -1.71 0.00 0.00 55.69 53.34 1pjw s MET 83 Cb -0.06 -0.10 0.29 0.00 2.01 0.00 0.00 34.83 36.97 1pjw s MET 83 CO -0.01 0.00 1.01 -0.85 -0.01 0.00 0.00 175.02 175.17 1pjw n GLU 84 N 1.64 3.29 -1.43 2.03 0.28 0.10 -0.11 120.64 126.44 1pjw n GLU 84 Ca -0.23 -4.72 -0.30 0.00 -0.16 0.00 0.00 57.16 51.76 1pjw n GLU 84 Cb 0.55 -2.31 0.11 0.00 1.43 0.00 0.00 31.44 31.22 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 -2.99 1.83 0.59 3.44 0.04 -1.26 -4.05 135.00 132.60 1pjw s PRO 85 Ca 0.41 0.72 -0.18 0.00 0.04 0.00 0.00 61.00 62.00 1pjw s PRO 85 Cb 0.18 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.80 1pjw s PRO 85 CO -0.04 -1.82 1.11 -1.25 0.04 0.00 0.00 177.00 175.04 1pjw s PRO 86 N -5.07 3.19 0.39 0.56 0.04 -1.26 -4.94 135.00 127.90 1pjw s PRO 86 Ca 0.62 1.47 -0.25 0.00 0.04 0.00 0.00 61.00 62.88 1pjw s PRO 86 Cb -0.16 -1.99 -0.11 0.00 0.04 0.00 0.00 34.50 32.28 1pjw s PRO 86 CO 0.55 -0.96 1.05 1.19 0.04 0.00 0.00 177.00 178.87 1pjw n PHE 87 N -1.75 1.34 0.00 0.56 3.72 -1.26 -4.79 117.46 115.29 1pjw n PHE 87 Ca 0.11 0.58 0.00 0.00 -0.05 0.00 0.00 57.45 58.09 1pjw n PHE 87 Cb 0.52 -2.26 0.00 0.00 -0.94 0.00 0.00 39.48 36.80 1pjw n PHE 87 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pjw n GLY 88 N 1.13 2.78 3.38 1.37 0.00 -1.26 -5.03 105.19 107.57 1pjw n GLY 88 Ca 0.09 -1.98 -0.33 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.08 -3.81 1.61 8.00 -1.26 -4.71 116.55 114.30 1pjw n ASP 89 Ca 0.00 0.18 -0.13 0.00 0.71 0.00 0.00 54.79 55.55 1pjw n ASP 89 Cb 0.00 -1.14 -0.14 0.00 -0.02 0.00 0.00 41.12 39.82 1pjw n ASP 89 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1pjw s SER 90 N -2.00 -0.07 -0.45 -2.24 0.01 -0.98 0.94 113.70 108.92 1pjw s SER 90 Ca 0.57 0.19 -0.18 0.00 1.31 0.00 0.00 55.95 57.84 1pjw s SER 90 Cb -0.19 0.14 0.04 0.00 0.21 0.00 0.00 66.02 66.23 1pjw s SER 90 CO 0.67 -0.08 0.50 -0.31 0.41 0.00 0.00 173.24 174.43 1pjw s TYR 91 N 0.50 3.14 0.02 2.43 1.51 0.86 -1.21 117.35 124.60 1pjw s TYR 91 Ca -0.04 -0.46 -0.18 0.00 -1.01 0.00 0.00 57.07 55.37 1pjw s TYR 91 Cb -0.05 -3.13 -0.06 0.00 -0.11 0.00 0.00 41.96 38.61 1pjw s TYR 91 CO -0.02 -0.81 0.53 0.42 -1.11 0.00 0.00 175.55 174.56 1pjw s ILE 92 N 2.25 4.88 -0.25 2.71 1.09 -0.49 -1.86 121.20 129.53 1pjw s ILE 92 Ca 0.13 1.12 0.01 0.00 -1.10 0.00 0.00 60.65 60.80 1pjw s ILE 92 Cb -0.18 -3.86 0.07 0.00 -1.06 0.00 0.00 42.46 37.43 1pjw s ILE 92 CO 0.13 0.51 -0.03 -0.69 -0.10 0.00 0.00 174.94 174.75 1pjw s VAL 93 N -0.72 1.55 -0.52 2.92 1.01 -0.60 -0.12 120.40 123.92 1pjw s VAL 93 Ca 0.28 -1.34 -0.25 0.00 0.00 0.00 0.00 61.98 60.67 1pjw s VAL 93 Cb -0.18 -1.87 0.03 0.00 0.00 0.00 0.00 36.38 34.36 1pjw s VAL 93 CO 0.17 -0.19 0.95 -0.69 0.00 0.00 0.00 175.10 175.34 1pjw s VAL 94 N 1.36 4.39 0.61 2.92 1.01 0.17 -2.34 120.40 128.53 1pjw s VAL 94 Ca -0.03 0.51 -0.02 0.00 0.00 0.00 0.00 61.98 62.44 1pjw s VAL 94 Cb -0.19 -4.51 0.05 0.00 0.00 0.00 0.00 36.38 31.72 1pjw s VAL 94 CO -0.08 -1.03 0.87 -0.83 0.00 0.00 0.00 175.10 174.04 1pjw s GLY 95 N 2.63 1.77 0.00 4.51 0.00 -0.19 -1.01 107.32 115.04 1pjw s GLY 95 Ca 0.34 -1.19 0.00 0.00 0.00 0.00 0.00 44.72 43.87 1pjw s GLY 95 CO 0.22 -0.85 0.36 1.15 0.00 0.00 0.00 173.10 173.98 1pjw n MET 96 N -2.57 0.00 0.00 2.90 0.00 -1.23 -4.52 117.12 111.70 1pjw n MET 96 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 57.70 57.56 1pjw n MET 96 Cb 0.60 -0.16 0.00 0.00 0.00 0.00 0.00 33.22 33.66 1pjw n MET 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1pjw n GLY 97 N 0.00 1.33 0.01 3.17 0.00 -1.26 -4.88 105.19 103.56 1pjw n GLY 97 Ca 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 46.02 45.63 1pjw n GLY 97 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pjw n ASP 98 N 0.00 0.25 -4.83 1.61 9.92 -1.26 -4.98 116.55 117.26 1pjw n ASP 98 Ca 0.00 0.06 -0.33 0.00 -0.53 0.00 0.00 54.79 53.99 1pjw n ASP 98 Cb 0.00 -0.53 -0.06 0.00 -0.64 0.00 0.00 41.12 39.89 1pjw n ASP 98 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1pjw s LYS 99 N -1.24 4.12 0.02 -1.24 -0.14 -1.26 -5.07 119.74 114.92 1pjw s LYS 99 Ca -0.04 1.06 -0.00 0.00 -1.36 0.00 0.00 55.97 55.64 1pjw s LYS 99 Cb 0.01 -2.16 -0.02 0.00 -1.68 0.00 0.00 37.83 33.98 1pjw s LYS 99 CO 0.05 -0.13 -0.02 1.14 -0.76 0.00 0.00 175.35 175.63 1pjw s GLN 100 N -3.51 0.27 0.17 1.68 1.03 -1.26 -3.46 119.66 114.57 1pjw s GLN 100 Ca 0.61 -0.52 -0.12 0.00 0.04 0.00 0.00 55.36 55.37 1pjw s GLN 100 Cb -0.09 0.10 -0.07 0.00 0.03 0.00 0.00 33.01 32.97 1pjw s GLN 100 CO 0.20 -0.04 0.53 0.42 -2.54 0.00 0.00 175.29 173.86 1pjw s ILE 101 N -1.25 4.91 -0.04 3.63 1.01 -0.18 -4.91 121.20 124.37 1pjw s ILE 101 Ca -0.14 0.66 0.02 0.00 0.00 0.00 0.00 60.65 61.19 1pjw s ILE 101 Cb -0.09 -3.68 0.01 0.00 0.01 0.00 0.00 42.46 38.71 1pjw s ILE 101 CO -0.01 0.14 -0.07 0.54 0.00 0.00 0.00 174.94 175.54 1pjw s ASN 102 N -1.95 1.14 0.17 3.58 4.22 -1.26 -0.66 114.94 120.19 1pjw s ASN 102 Ca 0.41 -0.17 0.11 0.00 -2.14 0.00 0.00 52.86 51.06 1pjw s ASN 102 Cb -0.14 -0.46 -0.04 0.00 1.28 0.00 0.00 41.25 41.89 1pjw s ASN 102 CO 0.20 0.00 -0.22 -1.00 -2.04 0.00 0.00 177.10 174.04 1pjw s HIS 103 N 0.61 2.38 -0.72 1.54 3.76 0.83 -4.96 115.29 118.72 1pjw s HIS 103 Ca -0.09 -0.33 0.02 0.00 -0.15 0.00 0.00 55.06 54.50 1pjw s HIS 103 Cb -0.13 -1.21 0.18 0.00 1.11 0.00 0.00 32.58 32.53 1pjw s HIS 103 CO 0.01 0.46 0.54 -3.38 -0.85 0.00 0.00 174.74 171.51 1pjw s HIS 104 N -1.49 3.59 -0.70 1.40 -3.43 -1.26 -1.40 115.29 112.00 1pjw s HIS 104 Ca 0.20 -3.14 -0.25 0.00 -0.80 0.00 0.00 55.06 51.06 1pjw s HIS 104 Cb -0.09 -2.95 -0.13 0.00 -1.43 0.00 0.00 32.58 27.99 1pjw s HIS 104 CO 0.10 -0.67 2.42 1.87 -2.00 0.00 0.00 174.74 176.45 1pjw n TRP 105 N 2.44 1.19 -3.97 0.38 -0.00 -0.35 -4.87 117.44 112.26 1pjw n TRP 105 Ca 0.16 0.04 -0.30 0.00 -0.00 0.00 0.00 57.50 57.40 1pjw n TRP 105 Cb 0.35 -2.53 -0.16 0.00 -0.00 0.00 0.00 31.31 28.98 1pjw n TRP 105 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 1pjw s HIS 106 N 13.14 2.45 -1.48 5.87 2.46 -1.26 -2.31 115.29 134.15 1pjw s HIS 106 Ca 0.98 -1.71 0.20 0.00 0.47 0.00 0.00 55.06 54.99 1pjw s HIS 106 Cb -0.21 -1.62 -0.09 0.00 -0.13 0.00 0.00 32.58 30.53 1pjw s HIS 106 CO 0.18 -0.77 0.94 0.36 -2.47 0.00 0.00 174.74 172.98 1pjw n LYS 107 N 4.66 1.04 -1.71 2.88 -0.00 -1.26 -4.97 118.16 118.80 1pjw n LYS 107 Ca -0.13 -0.56 -0.42 0.00 -0.00 0.00 0.00 58.31 57.19 1pjw n LYS 107 Cb 0.45 -1.42 -0.01 0.00 -0.00 0.00 0.00 35.03 34.05 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 -0.62 1.59 -1.23 0.58 0.00 -1.26 -4.90 120.51 114.67 1pjw n ALA 108 Ca 0.06 0.37 0.06 0.00 0.00 0.00 0.00 53.44 53.93 1pjw n ALA 108 Cb 0.38 -2.31 0.19 0.00 0.00 0.00 0.00 19.45 17.72 1pjw n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pjw n GLY 109 N 1.02 4.73 0.41 0.00 0.00 -1.26 -4.80 105.19 105.30 1pjw n GLY 109 Ca 0.05 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 1pjw n GLY 109 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1pjw h SER 110 N 0.83 -1.76 -0.02 1.61 0.02 -2.03 -3.58 113.55 108.63 1pjw h SER 110 Ca 0.04 0.27 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1pjw h SER 110 Cb 1.24 0.78 0.00 0.00 0.14 0.00 0.00 62.40 64.56 1pjw h SER 110 CO 0.13 -0.32 0.00 1.07 -1.14 0.00 0.00 176.83 176.57