#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 0.98 -0.12 0.11 2.47 -1.26 -5.14 119.74 116.78 1pjw s LYS 2 Ca 0.00 -1.15 -0.05 0.00 -1.56 0.00 0.00 55.97 53.21 1pjw s LYS 2 Cb 0.00 -0.94 -0.04 0.00 -1.46 0.00 0.00 37.83 35.39 1pjw s LYS 2 CO 0.00 0.19 0.06 -0.51 0.16 0.00 0.00 175.35 175.25 1pjw s LEU 3 N -2.18 3.89 0.03 5.43 1.43 -1.26 -5.10 118.68 120.91 1pjw s LEU 3 Ca 0.05 0.23 0.09 0.00 -1.03 0.00 0.00 54.13 53.47 1pjw s LEU 3 Cb -0.07 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1pjw s LEU 3 CO 0.03 0.33 -0.25 0.00 0.23 0.00 0.00 176.35 176.69 1pjw s ALA 4 N -0.60 2.13 -1.18 4.21 0.00 -1.26 -5.06 121.76 120.01 1pjw s ALA 4 Ca 0.11 -1.19 -0.11 0.00 0.00 0.00 0.00 51.96 50.78 1pjw s ALA 4 Cb -0.12 -0.47 0.22 0.00 0.00 0.00 0.00 23.12 22.75 1pjw s ALA 4 CO 0.02 0.51 1.38 -0.11 0.00 0.00 0.00 175.76 177.56 1pjw n LEU 5 N 1.98 5.60 -4.95 0.00 7.94 -1.26 -5.01 117.00 121.30 1pjw n LEU 5 Ca -0.17 -4.75 -0.24 0.00 -1.11 0.00 0.00 56.01 49.75 1pjw n LEU 5 Cb 0.52 -1.52 -0.02 0.00 0.53 0.00 0.00 43.42 42.93 1pjw n LEU 5 CO 0.23 1.10 0.06 -1.59 -1.11 0.00 0.00 177.39 176.08 1pjw s LYS 6 N 0.06 3.48 -0.64 1.96 -2.85 -1.26 -5.06 119.74 115.42 1pjw s LYS 6 Ca 0.37 -0.50 0.01 0.00 -1.00 0.00 0.00 55.97 54.86 1pjw s LYS 6 Cb -0.03 -2.79 0.16 0.00 -2.06 0.00 0.00 37.83 33.11 1pjw s LYS 6 CO -0.02 0.31 0.43 0.20 0.10 0.00 0.00 175.35 176.38 1pjw s GLY 7 N -3.81 2.64 0.45 0.59 0.00 -1.26 -5.08 107.32 100.85 1pjw s GLY 7 Ca 0.37 -3.45 -0.21 0.00 0.00 0.00 0.00 44.72 41.43 1pjw s GLY 7 CO 0.32 1.08 1.03 -1.59 0.00 0.00 0.00 173.10 173.93 1pjw s THR 8 N -0.57 3.86 -0.76 0.90 2.01 -1.26 -4.96 115.64 114.86 1pjw s THR 8 Ca 0.20 1.23 -0.26 0.00 0.31 0.00 0.00 61.69 63.17 1pjw s THR 8 Cb -0.18 -3.54 0.03 0.00 0.01 0.00 0.00 72.50 68.82 1pjw s THR 8 CO -0.06 -0.18 1.28 0.42 -0.69 0.00 0.00 174.62 175.39 1pjw s THR 9 N -1.91 3.77 0.09 -0.82 -4.23 -1.26 -4.95 115.64 106.33 1pjw s THR 9 Ca 0.64 0.27 -0.17 0.00 -1.18 0.00 0.00 61.69 61.25 1pjw s THR 9 Cb -0.17 -4.92 0.04 0.00 1.34 0.00 0.00 72.50 68.79 1pjw s THR 9 CO 0.21 -1.84 0.41 -0.31 -0.54 0.00 0.00 174.62 172.54 1pjw s TYR 10 N 5.58 -0.23 0.03 3.99 2.02 -1.26 -5.15 117.35 122.33 1pjw s TYR 10 Ca 0.35 0.04 -0.17 0.00 -0.37 0.00 0.00 57.07 56.92 1pjw s TYR 10 Cb -0.08 0.24 -0.06 0.00 -0.40 0.00 0.00 41.96 41.66 1pjw s TYR 10 CO 0.13 -0.64 0.48 0.20 -1.57 0.00 0.00 175.55 174.15 1pjw s GLY 11 N -2.45 2.57 -0.41 0.71 0.00 -1.26 -4.97 107.32 101.51 1pjw s GLY 11 Ca -0.01 -0.10 -0.29 0.00 0.00 0.00 0.00 44.72 44.33 1pjw s GLY 11 CO -0.08 0.31 1.52 1.06 0.00 0.00 0.00 173.10 175.91 1pjw s MET 12 N -1.03 3.47 -0.24 2.90 -1.94 -1.26 -3.99 119.30 117.20 1pjw s MET 12 Ca 0.26 1.00 -0.02 0.00 -1.71 0.00 0.00 55.69 55.22 1pjw s MET 12 Cb -0.18 -4.08 0.13 0.00 2.01 0.00 0.00 34.83 32.70 1pjw s MET 12 CO 0.16 -1.70 0.32 0.00 -0.01 0.00 0.00 175.02 173.79 1pjw n THR 14 N 5.34 0.00 1.53 0.00 -1.04 -1.23 -4.45 114.28 114.43 1pjw n THR 14 Ca -0.03 -1.42 0.06 0.00 -2.04 0.00 0.00 64.05 60.62 1pjw n THR 14 Cb 0.49 1.16 0.38 0.00 -1.82 0.00 0.00 70.33 70.54 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 -0.21 0.76 -2.18 -2.82 0.28 -1.26 -4.14 120.64 111.07 1pjw n GLU 15 Ca -0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.58 1pjw n GLU 15 Cb 0.78 -1.26 0.00 0.00 1.43 0.00 0.00 31.44 32.39 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 -0.76 4.67 -3.72 3.44 5.02 -1.26 -4.96 118.16 120.59 1pjw n LYS 16 Ca 0.10 -3.74 -0.34 0.00 -2.02 0.00 0.00 58.31 52.31 1pjw n LYS 16 Cb 0.04 -2.62 -0.05 0.00 -0.02 0.00 0.00 35.03 32.38 1pjw n LYS 16 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1pjw s PHE 17 N -1.68 3.56 -0.28 2.13 2.19 -1.26 -2.20 117.98 120.44 1pjw s PHE 17 Ca 0.49 0.60 0.01 0.00 0.33 0.00 0.00 56.93 58.35 1pjw s PHE 17 Cb 0.17 -2.01 0.08 0.00 -1.31 0.00 0.00 43.02 39.95 1pjw s PHE 17 CO -0.09 0.56 0.03 0.45 1.83 0.00 0.00 175.22 178.01 1pjw s SER 18 N -1.88 4.05 -0.60 6.13 0.15 -0.05 -4.91 113.70 116.60 1pjw s SER 18 Ca 0.31 -1.53 -0.26 0.00 0.70 0.00 0.00 55.95 55.18 1pjw s SER 18 Cb -0.13 -1.13 -0.09 0.00 -1.71 0.00 0.00 66.02 62.96 1pjw s SER 18 CO 0.19 -0.33 2.37 -0.36 1.20 0.00 0.00 173.24 176.30 1pjw s PHE 19 N 1.39 1.14 0.01 3.44 0.08 -1.26 -0.67 117.98 122.12 1pjw s PHE 19 Ca 0.04 1.63 0.11 0.00 0.12 0.00 0.00 56.93 58.82 1pjw s PHE 19 Cb -0.18 -3.58 -0.19 0.00 -0.57 0.00 0.00 43.02 38.50 1pjw s PHE 19 CO -0.13 -2.22 1.03 0.00 -0.10 0.00 0.00 175.22 173.80 1pjw h ALA 20 N 17.15 0.56 -2.92 5.36 0.00 -1.09 -3.47 119.26 134.85 1pjw h ALA 20 Ca -0.16 -1.07 -0.16 0.00 0.00 0.00 0.00 54.91 53.52 1pjw h ALA 20 Cb 1.18 0.13 -0.22 0.00 0.00 0.00 0.00 17.79 18.87 1pjw h ALA 20 CO 1.12 1.29 -0.50 0.15 0.00 0.00 0.00 179.25 181.31 1pjw s LYS 21 N -2.71 0.40 0.76 0.00 1.02 -0.52 -4.98 119.74 113.72 1pjw s LYS 21 Ca -0.01 -0.22 -0.11 0.00 0.02 0.00 0.00 55.97 55.65 1pjw s LYS 21 Cb 0.09 0.17 0.05 0.00 -0.52 0.00 0.00 37.83 37.62 1pjw s LYS 21 CO 0.81 -0.09 1.08 -0.80 -0.92 0.00 0.00 175.35 175.44 1pjw s ASN 22 N -0.96 4.77 0.12 2.83 -0.87 -1.26 -3.71 114.94 115.86 1pjw s ASN 22 Ca -0.10 1.53 -0.30 0.00 -1.57 0.00 0.00 52.86 52.41 1pjw s ASN 22 Cb -0.06 -2.31 -0.07 0.00 -0.02 0.00 0.00 41.25 38.79 1pjw s ASN 22 CO 0.01 -1.82 1.24 -2.16 -2.57 0.00 0.00 177.10 171.81 1pjw s PRO 23 N -5.05 4.43 0.07 -0.60 0.04 -1.25 -4.61 135.00 128.02 1pjw s PRO 23 Ca 0.60 1.88 0.07 0.00 0.04 0.00 0.00 61.00 63.59 1pjw s PRO 23 Cb -0.15 -3.29 -0.03 0.00 0.04 0.00 0.00 34.50 31.08 1pjw s PRO 23 CO 0.55 -0.24 -0.19 0.00 0.04 0.00 0.00 177.00 177.16 1pjw s ALA 24 N 0.67 1.63 -0.36 8.56 0.00 -0.53 -4.86 121.76 126.88 1pjw s ALA 24 Ca 0.58 -1.10 -0.29 0.00 0.00 0.00 0.00 51.96 51.15 1pjw s ALA 24 Cb -0.32 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.56 1pjw s ALA 24 CO 0.32 0.33 1.22 0.16 0.00 0.00 0.00 175.76 177.79 1pjw s ASP 25 N -1.56 6.70 0.19 0.00 -4.77 -1.26 -0.94 116.67 115.03 1pjw s ASP 25 Ca 0.05 0.96 0.26 0.00 -3.30 0.00 0.00 52.55 50.52 1pjw s ASP 25 Cb -0.09 -2.54 0.87 0.00 -1.09 0.00 0.00 42.92 40.06 1pjw s ASP 25 CO 0.03 -1.10 1.79 0.41 0.70 0.00 0.00 175.17 176.99 1pjw n THR 26 N 6.35 0.55 0.00 2.11 -1.04 0.37 -4.95 114.28 117.67 1pjw n THR 26 Ca 0.14 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1pjw n THR 26 Cb 0.47 -0.62 0.00 0.00 -1.82 0.00 0.00 70.33 68.36 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 1.22 -1.13 2.99 3.41 0.00 -1.25 -5.00 105.19 105.43 1pjw n GLY 27 Ca 0.05 0.69 -0.31 0.00 0.00 0.00 0.00 46.02 46.45 1pjw n GLY 27 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1pjw s HIS 28 N 0.00 3.30 0.00 1.61 -3.43 -1.26 -4.65 115.29 110.86 1pjw s HIS 28 Ca 0.00 -2.62 0.00 0.00 -0.80 0.00 0.00 55.06 51.64 1pjw s HIS 28 Cb 0.00 -2.48 0.00 0.00 -1.43 0.00 0.00 32.58 28.67 1pjw s HIS 28 CO 0.00 -0.91 0.00 0.41 -2.00 0.00 0.00 174.74 172.24 1pjw n GLY 29 N 4.39 0.47 2.83 -1.38 0.00 -1.26 -5.03 105.19 105.21 1pjw n GLY 29 Ca -0.01 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 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 1.07 -0.10 2.61 -4.23 -1.26 -4.15 115.64 107.58 1pjw s THR 30 Ca 0.00 -1.05 -0.00 0.00 -1.18 0.00 0.00 61.69 59.46 1pjw s THR 30 Cb 0.00 -1.52 -0.03 0.00 1.34 0.00 0.00 72.50 72.29 1pjw s THR 30 CO 0.00 -0.26 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.05 1pjw s VAL 31 N 1.59 3.55 -0.07 2.29 1.01 -0.54 0.14 120.40 128.37 1pjw s VAL 31 Ca -0.01 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1pjw s VAL 31 Cb -0.18 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 1pjw s VAL 31 CO -0.10 0.56 -0.15 -0.69 0.00 0.00 0.00 175.10 174.71 1pjw s VAL 32 N -0.26 2.97 -0.04 2.92 1.01 -0.11 -1.28 120.40 125.61 1pjw s VAL 32 Ca 0.03 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 1pjw s VAL 32 Cb -0.13 -2.18 0.03 0.00 0.00 0.00 0.00 36.38 34.10 1pjw s VAL 32 CO 0.03 0.57 0.08 -0.51 0.00 0.00 0.00 175.10 175.27 1pjw s ILE 33 N -0.38 -0.04 -0.24 2.22 -1.16 0.21 -1.45 121.20 120.36 1pjw s ILE 33 Ca 0.04 0.14 -0.04 0.00 -0.51 0.00 0.00 60.65 60.28 1pjw s ILE 33 Cb -0.12 -0.15 0.01 0.00 0.61 0.00 0.00 42.46 42.81 1pjw s ILE 33 CO 0.02 0.06 -0.02 -0.70 -2.81 0.00 0.00 174.94 171.48 1pjw s GLU 34 N 0.78 3.16 0.02 3.50 2.12 -1.24 0.40 118.70 127.44 1pjw s GLU 34 Ca -0.06 -0.78 0.05 0.00 0.36 0.00 0.00 54.97 54.54 1pjw s GLU 34 Cb -0.08 -3.07 -0.02 0.00 0.26 0.00 0.00 34.13 31.21 1pjw s GLU 34 CO -0.03 -0.31 -0.15 -0.51 -0.54 0.00 0.00 175.26 173.72 1pjw s LEU 35 N 1.44 2.12 -0.13 2.70 1.02 -0.36 -0.43 118.68 125.04 1pjw s LEU 35 Ca 0.03 -0.41 -0.14 0.00 0.02 0.00 0.00 54.13 53.64 1pjw s LEU 35 Cb -0.16 -0.71 -0.05 0.00 0.02 0.00 0.00 46.19 45.30 1pjw s LEU 35 CO -0.03 0.10 0.32 -0.94 0.02 0.00 0.00 176.35 175.82 1pjw s SER 36 N -0.89 6.51 -0.60 2.29 1.04 0.16 0.01 113.70 122.22 1pjw s SER 36 Ca 0.04 0.60 -0.19 0.00 0.48 0.00 0.00 55.95 56.89 1pjw s SER 36 Cb -0.07 -2.19 0.11 0.00 0.10 0.00 0.00 66.02 63.96 1pjw s SER 36 CO 0.01 0.15 0.70 -0.47 0.98 0.00 0.00 173.24 174.61 1pjw s TYR 37 N 0.12 3.03 -1.16 5.02 5.04 -0.98 -0.87 117.35 127.55 1pjw s TYR 37 Ca 0.18 -1.01 -0.06 0.00 -2.44 0.00 0.00 57.07 53.74 1pjw s TYR 37 Cb -0.14 -4.01 0.25 0.00 0.35 0.00 0.00 41.96 38.42 1pjw s TYR 37 CO 0.06 -1.28 1.65 0.45 -1.34 0.00 0.00 175.55 175.09 1pjw n SER 38 N 6.23 5.96 -4.09 4.32 2.88 -0.94 -4.09 113.62 123.89 1pjw n SER 38 Ca -0.09 -3.30 -0.32 0.00 -1.33 0.00 0.00 58.87 53.83 1pjw n SER 38 Cb 0.42 -1.35 -0.16 0.00 -0.75 0.00 0.00 64.21 62.38 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 -0.80 1.40 -0.07 0.46 0.00 -1.26 -4.88 107.32 102.16 1pjw s GLY 39 Ca 0.34 -1.27 0.03 0.00 0.00 0.00 0.00 44.72 43.82 1pjw s GLY 39 CO 0.07 0.38 0.91 -1.14 0.00 0.00 0.00 173.10 173.32 1pjw n SER 40 N 4.61 2.46 -0.72 1.64 3.41 -1.26 -3.70 113.62 120.05 1pjw n SER 40 Ca -0.19 -2.29 0.13 0.00 -0.26 0.00 0.00 58.87 56.26 1pjw n SER 40 Cb 0.49 -0.56 0.26 0.00 -0.26 0.00 0.00 64.21 64.14 1pjw n SER 40 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1pjw n ASP 41 N 0.15 2.30 0.00 4.04 9.92 -1.26 -5.06 116.55 126.63 1pjw n ASP 41 Ca 0.09 -1.74 0.00 0.00 -0.53 0.00 0.00 54.79 52.61 1pjw n ASP 41 Cb 0.56 0.04 0.00 0.00 -0.64 0.00 0.00 41.12 41.08 1pjw n ASP 41 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1pjw n GLY 42 N 1.29 -2.35 3.78 0.44 0.00 -1.24 -4.97 105.19 102.13 1pjw n GLY 42 Ca 0.15 -2.03 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.25 3.16 -0.05 1.61 0.04 -1.26 -4.96 135.00 133.30 1pjw s PRO 43 Ca 0.00 1.44 -0.30 0.00 0.04 0.00 0.00 61.00 62.18 1pjw s PRO 43 Cb 0.00 -1.99 0.11 0.00 0.04 0.00 0.00 34.50 32.66 1pjw s PRO 43 CO 0.00 -0.97 1.02 0.00 0.04 0.00 0.00 177.00 177.09 1pjw s LYS 45 N -2.89 4.48 -0.41 0.00 -0.14 -1.26 0.43 119.74 119.95 1pjw s LYS 45 Ca 0.08 1.58 -0.26 0.00 -1.36 0.00 0.00 55.97 56.00 1pjw s LYS 45 Cb -0.01 -3.43 0.02 0.00 -1.68 0.00 0.00 37.83 32.73 1pjw s LYS 45 CO -0.06 -0.19 0.95 0.42 -0.76 0.00 0.00 175.35 175.71 1pjw s ILE 46 N 1.22 4.51 -1.27 2.17 1.01 0.17 -1.74 121.20 127.27 1pjw s ILE 46 Ca 0.55 1.04 -0.18 0.00 0.00 0.00 0.00 60.65 62.06 1pjw s ILE 46 Cb -0.24 -4.40 0.01 0.00 0.01 0.00 0.00 42.46 37.83 1pjw s ILE 46 CO 0.27 -0.69 1.97 -0.81 0.00 0.00 0.00 174.94 175.68 1pjw n PRO 47 N 7.02 2.64 -4.29 2.79 -0.04 -1.26 -4.47 135.00 137.39 1pjw n PRO 47 Ca 0.07 -2.73 -0.29 0.00 -0.04 0.00 0.00 63.50 60.52 1pjw n PRO 47 Cb 0.48 -3.37 -0.11 0.00 -0.04 0.00 0.00 33.50 30.47 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 4.80 2.99 0.06 0.52 1.09 -1.26 -2.31 121.20 127.09 1pjw s ILE 48 Ca 0.54 -1.51 0.06 0.00 -1.10 0.00 0.00 60.65 58.63 1pjw s ILE 48 Cb 0.09 -2.40 -0.03 0.00 -1.06 0.00 0.00 42.46 39.06 1pjw s ILE 48 CO 0.03 0.05 -0.16 0.68 -0.10 0.00 0.00 174.94 175.44 1pjw s VAL 49 N -1.29 1.32 -0.33 2.92 -7.23 -0.99 -5.00 120.40 109.80 1pjw s VAL 49 Ca 0.20 -1.19 0.03 0.00 -1.81 0.00 0.00 61.98 59.21 1pjw s VAL 49 Cb -0.10 -1.20 0.10 0.00 0.56 0.00 0.00 36.38 35.74 1pjw s VAL 49 CO 0.12 -0.01 0.05 -0.44 -0.31 0.00 0.00 175.10 174.50 1pjw s SER 50 N -1.40 4.60 0.28 4.85 0.01 -1.26 -2.27 113.70 118.51 1pjw s SER 50 Ca 0.03 -2.01 0.10 0.00 1.31 0.00 0.00 55.95 55.38 1pjw s SER 50 Cb -0.09 -1.48 -0.05 0.00 0.21 0.00 0.00 66.02 64.62 1pjw s SER 50 CO 0.02 -0.37 -0.04 0.68 0.41 0.00 0.00 173.24 173.94 1pjw s VAL 51 N 1.05 3.10 1.05 3.43 -7.23 -0.47 0.27 120.40 121.60 1pjw s VAL 51 Ca 0.09 -2.03 -0.11 0.00 -1.81 0.00 0.00 61.98 58.12 1pjw s VAL 51 Cb -0.19 -2.72 0.22 0.00 0.56 0.00 0.00 36.38 34.26 1pjw s VAL 51 CO -0.11 -0.35 1.09 0.00 -0.31 0.00 0.00 175.10 175.42 1pjw s ALA 52 N -2.40 0.41 -0.04 1.32 0.00 -1.26 0.26 121.76 120.05 1pjw s ALA 52 Ca 0.32 0.25 -0.30 0.00 0.00 0.00 0.00 51.96 52.23 1pjw s ALA 52 Cb -0.05 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.65 1pjw s ALA 52 CO 0.19 -3.38 1.66 0.45 0.00 0.00 0.00 175.76 174.68 1pjw s SER 53 N -2.54 6.66 0.00 0.00 0.15 0.69 -2.40 113.70 116.26 1pjw s SER 53 Ca 0.68 2.27 0.00 0.00 0.70 0.00 0.00 55.95 59.59 1pjw s SER 53 Cb -0.24 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 1pjw s SER 53 CO 0.62 -0.92 0.00 -0.11 1.20 0.00 0.00 173.24 174.02 1pjw n LEU 54 N 6.99 -0.59 -3.33 3.45 7.94 -1.26 -4.88 117.00 125.32 1pjw n LEU 54 Ca 0.17 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.85 1pjw n LEU 54 Cb 0.43 -0.32 -0.09 0.00 0.53 0.00 0.00 43.42 43.97 1pjw n LEU 54 CO 0.63 0.00 -0.23 0.20 -1.11 0.00 0.00 177.39 176.87 1pjw s ASN 55 N -2.64 1.38 0.00 1.96 0.01 -1.01 -4.94 114.94 109.70 1pjw s ASN 55 Ca 0.00 -2.36 0.22 0.00 -0.71 0.00 0.00 52.86 50.01 1pjw s ASN 55 Cb 0.00 0.08 0.45 0.00 0.41 0.00 0.00 41.25 42.19 1pjw s ASN 55 CO 0.00 -0.21 1.40 -0.67 -1.51 0.00 0.00 177.10 176.11 1pjw n ASP 56 N 3.47 3.50 -0.00 -1.22 2.03 -1.26 -4.18 116.55 118.88 1pjw n ASP 56 Ca 0.20 -1.98 0.06 0.00 0.52 0.00 0.00 54.79 53.60 1pjw n ASP 56 Cb 0.46 -0.29 -0.09 0.00 -0.72 0.00 0.00 41.12 40.48 1pjw n ASP 56 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1pjw n MET 57 N 1.45 1.67 -3.82 -0.67 2.81 -1.26 -4.92 117.12 112.37 1pjw n MET 57 Ca 0.20 -0.06 -0.25 0.00 -1.81 0.00 0.00 57.70 55.78 1pjw n MET 57 Cb 0.59 -1.20 -0.17 0.00 -0.71 0.00 0.00 33.22 31.72 1pjw n MET 57 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1pjw s THR 58 N -2.54 0.64 -0.01 2.03 -4.23 -1.26 -5.11 115.64 105.15 1pjw s THR 58 Ca 0.00 -0.05 -0.30 0.00 -1.18 0.00 0.00 61.69 60.16 1pjw s THR 58 Cb 0.09 -0.74 -0.05 0.00 1.34 0.00 0.00 72.50 73.14 1pjw s THR 58 CO 0.54 0.29 1.30 -2.16 -0.54 0.00 0.00 174.62 174.06 1pjw s PRO 59 N 1.87 4.33 0.00 3.99 0.04 -1.26 -4.66 135.00 139.30 1pjw s PRO 59 Ca 0.05 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1pjw s PRO 59 Cb -0.12 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 30.88 1pjw s PRO 59 CO -0.06 -0.49 0.00 1.55 0.04 0.00 0.00 177.00 178.04 1pjw n VAL 60 N 4.54 0.00 -2.37 -0.36 3.14 -1.23 -5.02 118.33 117.03 1pjw n VAL 60 Ca 0.12 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.11 1pjw n VAL 60 Cb 0.45 -0.35 -0.03 0.00 -1.06 0.00 0.00 33.84 32.85 1pjw n VAL 60 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1pjw s GLY 61 N -2.44 2.89 0.16 7.55 0.00 0.77 -4.62 107.32 111.63 1pjw s GLY 61 Ca 0.00 0.92 0.08 0.00 0.00 0.00 0.00 44.72 45.72 1pjw s GLY 61 CO 0.00 1.44 -0.16 0.50 0.00 0.00 0.00 173.10 174.88 1pjw s ARG 62 N -2.15 1.22 -0.14 2.90 1.81 -1.26 -4.37 118.95 116.97 1pjw s ARG 62 Ca 0.54 -1.41 -0.16 0.00 -1.72 0.00 0.00 55.73 52.98 1pjw s ARG 62 Cb -0.30 -1.16 -0.04 0.00 -0.45 0.00 0.00 34.95 33.00 1pjw s ARG 62 CO 0.38 0.22 0.39 -0.51 -0.68 0.00 0.00 175.30 175.10 1pjw s LEU 63 N -2.77 4.25 0.58 2.53 1.02 -1.26 -0.32 118.68 122.72 1pjw s LEU 63 Ca 0.16 0.67 0.28 0.00 0.02 0.00 0.00 54.13 55.26 1pjw s LEU 63 Cb -0.04 -2.55 1.53 0.00 0.02 0.00 0.00 46.19 45.16 1pjw s LEU 63 CO 0.06 0.04 1.98 1.62 0.02 0.00 0.00 176.35 180.06 1pjw h VAL 64 N 4.72 0.43 -0.79 -1.59 3.04 -1.06 -3.42 116.25 117.58 1pjw h VAL 64 Ca -0.41 0.00 -0.61 0.00 -1.01 0.00 0.00 66.70 64.67 1pjw h VAL 64 Cb 1.17 0.70 -0.09 0.00 -2.01 0.00 0.00 31.29 31.07 1pjw h VAL 64 CO 0.76 0.00 -0.43 0.28 -1.01 0.00 0.00 177.57 177.16 1pjw s THR 65 N -4.66 1.67 0.11 3.17 -1.32 -1.26 -5.05 115.64 108.30 1pjw s THR 65 Ca -0.04 -1.73 -0.02 0.00 -1.21 0.00 0.00 61.69 58.69 1pjw s THR 65 Cb 0.16 -2.39 0.03 0.00 -1.51 0.00 0.00 72.50 68.78 1pjw s THR 65 CO 0.56 0.00 0.06 1.33 -2.21 0.00 0.00 174.62 174.37 1pjw n VAL 66 N -1.44 0.00 -1.53 5.08 0.24 -1.26 -4.79 118.33 114.63 1pjw n VAL 66 Ca -0.07 0.00 -0.45 0.00 -2.04 0.00 0.00 64.34 61.77 1pjw n VAL 66 Cb 0.65 -0.07 -0.02 0.00 -1.47 0.00 0.00 33.84 32.93 1pjw n VAL 66 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1pjw n ASN 67 N -3.07 0.42 -4.40 -1.34 5.15 -1.26 -4.76 115.26 106.00 1pjw n ASN 67 Ca 0.01 1.15 -0.37 0.00 -0.60 0.00 0.00 54.58 54.77 1pjw n ASN 67 Cb 0.04 -1.18 -0.03 0.00 -0.53 0.00 0.00 39.78 38.08 1pjw n ASN 67 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1pjw n PRO 68 N 0.79 2.34 -4.21 1.20 -0.04 -1.26 -4.94 135.00 128.88 1pjw n PRO 68 Ca 0.12 -2.74 -0.35 0.00 -0.04 0.00 0.00 63.50 60.49 1pjw n PRO 68 Cb 0.30 -3.52 -0.09 0.00 -0.04 0.00 0.00 33.50 30.15 1pjw n PRO 68 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1pjw s PHE 69 N 7.00 3.23 -1.28 0.54 -0.12 -1.26 0.41 117.98 126.50 1pjw s PHE 69 Ca 0.60 0.15 -0.05 0.00 -0.05 0.00 0.00 56.93 57.57 1pjw s PHE 69 Cb 0.04 -1.91 0.15 0.00 -0.63 0.00 0.00 43.02 40.68 1pjw s PHE 69 CO 0.09 0.36 2.27 0.28 -0.05 0.00 0.00 175.22 178.17 1pjw n VAL 70 N 2.66 5.33 -1.37 -2.49 0.31 0.17 -4.82 118.33 118.12 1pjw n VAL 70 Ca -0.18 -4.58 -0.34 0.00 -0.01 0.00 0.00 64.34 59.23 1pjw n VAL 70 Cb 0.53 -2.02 -0.05 0.00 -0.91 0.00 0.00 33.84 31.40 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 1.58 7.20 -2.41 3.52 0.00 -1.26 -2.71 120.51 126.42 1pjw n ALA 71 Ca 0.59 -3.30 -0.11 0.00 0.00 0.00 0.00 53.44 50.62 1pjw n ALA 71 Cb 0.25 -3.04 -0.09 0.00 0.00 0.00 0.00 19.45 16.58 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 1.23 0.02 -1.86 0.00 2.01 -1.26 -5.04 115.64 110.73 1pjw s THR 72 Ca 0.66 -1.84 0.22 0.00 0.31 0.00 0.00 61.69 61.05 1pjw s THR 72 Cb 0.21 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 1pjw s THR 72 CO -0.06 -0.08 1.05 -0.24 -0.69 0.00 0.00 174.62 174.60 1pjw n SER 73 N -0.27 1.87 -0.00 3.53 2.88 -1.26 -4.25 113.62 116.12 1pjw n SER 73 Ca -0.00 -1.43 0.00 0.00 -1.33 0.00 0.00 58.87 56.11 1pjw n SER 73 Cb 0.65 0.56 0.00 0.00 -0.75 0.00 0.00 64.21 64.67 1pjw n SER 73 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1pjw n SER 74 N -0.25 1.88 -0.07 -3.46 2.88 -1.26 -4.64 113.62 108.70 1pjw n SER 74 Ca 0.08 -1.95 0.00 0.00 -1.33 0.00 0.00 58.87 55.68 1pjw n SER 74 Cb 0.44 -0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.91 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 -0.48 2.50 0.85 -1.46 0.00 -1.26 -3.57 120.51 117.09 1pjw n ALA 75 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.41 1pjw n ALA 75 Cb 0.27 -1.00 0.09 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.40 1.70 -2.65 0.00 3.02 -1.26 -3.82 115.26 111.86 1pjw n ASN 76 Ca 0.01 -2.14 -0.08 0.00 -0.03 0.00 0.00 54.58 52.33 1pjw n ASN 76 Cb 0.04 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 38.78 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 0.09 2.30 -4.56 6.41 2.88 -1.23 -4.43 113.62 115.08 1pjw n SER 77 Ca 0.06 -1.56 -0.17 0.00 -1.33 0.00 0.00 58.87 55.87 1pjw n SER 77 Cb 0.36 0.10 -0.07 0.00 -0.75 0.00 0.00 64.21 63.85 1pjw n SER 77 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1pjw s LYS 78 N -2.46 1.77 0.99 -1.46 -2.85 -1.26 -2.33 119.74 112.14 1pjw s LYS 78 Ca 0.00 0.09 -0.16 0.00 -1.00 0.00 0.00 55.97 54.90 1pjw s LYS 78 Cb 0.00 -4.90 0.20 0.00 -2.06 0.00 0.00 37.83 31.07 1pjw s LYS 78 CO 0.00 -4.38 1.24 0.14 0.10 0.00 0.00 175.35 172.45 1pjw s VAL 79 N 14.00 1.92 0.01 1.79 -7.23 0.10 -4.76 120.40 126.22 1pjw s VAL 79 Ca 0.85 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 61.07 1pjw s VAL 79 Cb -0.10 -2.86 -0.02 0.00 0.56 0.00 0.00 36.38 33.97 1pjw s VAL 79 CO 0.08 0.00 -0.16 -0.22 -0.31 0.00 0.00 175.10 174.49 1pjw s LEU 80 N -6.09 2.08 0.21 1.32 0.20 -1.26 -1.22 118.68 113.91 1pjw s LEU 80 Ca 0.71 -0.36 0.02 0.00 0.69 0.00 0.00 54.13 55.18 1pjw s LEU 80 Cb -0.07 -0.79 -0.05 0.00 -0.43 0.00 0.00 46.19 44.85 1pjw s LEU 80 CO 0.53 0.15 0.04 -0.69 -0.29 0.00 0.00 176.35 176.09 1pjw s VAL 81 N -0.54 0.64 0.02 1.68 1.01 0.16 -4.96 120.40 118.42 1pjw s VAL 81 Ca 0.05 -1.99 -0.08 0.00 0.00 0.00 0.00 61.98 59.97 1pjw s VAL 81 Cb -0.07 -2.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.98 1pjw s VAL 81 CO 0.00 -0.28 0.15 -1.61 0.00 0.00 0.00 175.10 173.36 1pjw s GLU 82 N -3.96 0.57 -0.12 2.72 2.02 -1.26 -0.62 118.70 118.05 1pjw s GLU 82 Ca 0.30 -0.54 -0.21 0.00 0.02 0.00 0.00 54.97 54.53 1pjw s GLU 82 Cb 0.07 0.23 0.05 0.00 0.10 0.00 0.00 34.13 34.58 1pjw s GLU 82 CO 0.08 -0.15 0.53 0.00 0.02 0.00 0.00 175.26 175.75 1pjw s MET 83 N -2.00 0.76 -0.95 1.61 0.23 -0.41 -0.44 119.30 118.10 1pjw s MET 83 Ca -0.10 0.41 -0.02 0.00 -1.03 0.00 0.00 55.69 54.95 1pjw s MET 83 Cb -0.04 0.36 0.27 0.00 -1.53 0.00 0.00 34.83 33.88 1pjw s MET 83 CO -0.01 -0.17 1.07 -0.85 -2.03 0.00 0.00 175.02 173.03 1pjw n GLU 84 N 1.93 3.40 -1.40 3.16 0.28 0.57 -1.46 120.64 127.12 1pjw n GLU 84 Ca -0.17 -4.54 -0.29 0.00 -0.16 0.00 0.00 57.16 52.00 1pjw n GLU 84 Cb 0.56 -2.44 0.13 0.00 1.43 0.00 0.00 31.44 31.13 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 -2.05 1.23 0.62 3.44 0.04 -1.26 -4.01 135.00 133.00 1pjw s PRO 85 Ca 0.32 0.52 -0.16 0.00 0.04 0.00 0.00 61.00 61.72 1pjw s PRO 85 Cb 0.00 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.69 1pjw s PRO 85 CO -0.02 -2.19 1.09 -1.25 0.04 0.00 0.00 177.00 174.68 1pjw s PRO 86 N -5.12 3.06 0.23 0.56 0.04 -1.26 -4.90 135.00 127.62 1pjw s PRO 86 Ca 0.63 1.35 -0.31 0.00 0.04 0.00 0.00 61.00 62.70 1pjw s PRO 86 Cb -0.16 -1.99 -0.13 0.00 0.04 0.00 0.00 34.50 32.26 1pjw s PRO 86 CO 0.55 -1.04 1.43 1.19 0.04 0.00 0.00 177.00 179.17 1pjw n PHE 87 N -2.14 2.20 0.00 0.56 3.72 -1.26 -4.71 117.46 115.82 1pjw n PHE 87 Ca 0.10 0.41 0.00 0.00 -0.05 0.00 0.00 57.45 57.91 1pjw n PHE 87 Cb 0.52 -2.47 0.00 0.00 -0.94 0.00 0.00 39.48 36.59 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 2.28 0.25 3.85 1.37 0.00 -1.26 -5.04 105.19 106.63 1pjw n GLY 88 Ca 0.12 -2.31 -0.32 0.00 0.00 0.00 0.00 46.02 43.52 1pjw n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pjw s ASP 89 N -4.00 6.66 -0.01 1.61 1.11 -1.26 -4.71 116.67 116.08 1pjw s ASP 89 Ca 0.00 1.40 0.01 0.00 0.18 0.00 0.00 52.55 54.14 1pjw s ASP 89 Cb 0.00 -2.43 0.00 0.00 1.07 0.00 0.00 42.92 41.56 1pjw s ASP 89 CO 0.00 -0.43 -0.04 -0.44 1.18 0.00 0.00 175.17 175.44 1pjw s SER 90 N -2.84 0.47 -0.24 0.27 0.01 -0.80 0.25 113.70 110.82 1pjw s SER 90 Ca 0.56 -0.07 -0.11 0.00 1.31 0.00 0.00 55.95 57.64 1pjw s SER 90 Cb -0.10 -0.08 -0.05 0.00 0.21 0.00 0.00 66.02 66.00 1pjw s SER 90 CO 0.26 0.03 0.20 -0.31 0.41 0.00 0.00 173.24 173.83 1pjw s TYR 91 N 0.05 3.31 -0.13 2.43 1.51 0.72 -1.45 117.35 123.80 1pjw s TYR 91 Ca -0.00 0.26 -0.01 0.00 -1.01 0.00 0.00 57.07 56.31 1pjw s TYR 91 Cb -0.03 -2.32 -0.02 0.00 -0.11 0.00 0.00 41.96 39.47 1pjw s TYR 91 CO -0.00 0.02 -0.07 0.42 -1.11 0.00 0.00 175.55 174.80 1pjw s ILE 92 N 1.20 3.58 -0.14 2.71 1.09 -0.88 -1.37 121.20 127.39 1pjw s ILE 92 Ca 0.09 -0.48 0.00 0.00 -1.10 0.00 0.00 60.65 59.16 1pjw s ILE 92 Cb -0.14 -2.52 0.02 0.00 -1.06 0.00 0.00 42.46 38.76 1pjw s ILE 92 CO 0.06 0.53 -0.14 -0.69 -0.10 0.00 0.00 174.94 174.60 1pjw s VAL 93 N 0.08 1.50 -0.47 2.92 1.01 -0.96 0.04 120.40 124.53 1pjw s VAL 93 Ca -0.02 -0.60 -0.17 0.00 0.00 0.00 0.00 61.98 61.20 1pjw s VAL 93 Cb -0.14 -1.41 0.06 0.00 0.00 0.00 0.00 36.38 34.88 1pjw s VAL 93 CO 0.03 0.45 0.44 -0.69 0.00 0.00 0.00 175.10 175.33 1pjw s VAL 94 N 1.44 5.13 0.01 2.92 1.01 0.30 -2.36 120.40 128.85 1pjw s VAL 94 Ca 0.03 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1pjw s VAL 94 Cb -0.13 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 1pjw s VAL 94 CO -0.09 -0.58 -0.02 -0.83 0.00 0.00 0.00 175.10 173.59 1pjw s GLY 95 N 2.39 0.11 -0.73 4.51 0.00 -0.98 -2.37 107.32 110.25 1pjw s GLY 95 Ca 0.08 -0.21 0.04 0.00 0.00 0.00 0.00 44.72 44.63 1pjw s GLY 95 CO 0.09 -0.22 0.91 -0.13 0.00 0.00 0.00 173.10 173.75 1pjw n MET 96 N 2.62 2.95 -1.41 2.90 1.56 -1.18 -4.40 117.12 120.16 1pjw n MET 96 Ca -0.16 -4.65 -0.15 0.00 -0.27 0.00 0.00 57.70 52.47 1pjw n MET 96 Cb 0.58 -2.31 -0.06 0.00 2.15 0.00 0.00 33.22 33.58 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 0.95 1.43 0.00 -5.12 0.00 -1.26 -4.59 105.19 96.59 1pjw n GLY 97 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.84 0.00 -4.84 1.61 8.00 -1.26 -5.13 116.55 114.09 1pjw n ASP 98 Ca -0.15 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.03 1pjw n ASP 98 Cb 0.54 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.61 1pjw n ASP 98 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1pjw s LYS 99 N 0.00 3.88 -0.37 -1.24 2.47 -1.26 -5.05 119.74 118.17 1pjw s LYS 99 Ca 0.00 0.94 0.01 0.00 -1.56 0.00 0.00 55.97 55.36 1pjw s LYS 99 Cb 0.00 -2.12 0.15 0.00 -1.46 0.00 0.00 37.83 34.39 1pjw s LYS 99 CO 0.00 -0.33 0.25 1.14 0.16 0.00 0.00 175.35 176.57 1pjw s GLN 100 N -4.21 0.63 -0.32 4.03 0.00 -1.26 -3.07 119.66 115.45 1pjw s GLN 100 Ca 0.59 -1.46 -0.25 0.00 -0.00 0.00 0.00 55.36 54.24 1pjw s GLN 100 Cb -0.10 -1.27 0.01 0.00 0.00 0.00 0.00 33.01 31.65 1pjw s GLN 100 CO 0.34 -1.25 0.85 -1.50 0.00 0.00 0.00 175.29 173.74 1pjw s ILE 101 N 0.88 4.72 0.12 3.63 1.10 -1.00 -4.83 121.20 125.81 1pjw s ILE 101 Ca 0.21 1.25 0.04 0.00 -0.51 0.00 0.00 60.65 61.64 1pjw s ILE 101 Cb -0.16 -4.22 -0.04 0.00 0.15 0.00 0.00 42.46 38.19 1pjw s ILE 101 CO -0.04 -0.34 0.07 0.54 -2.11 0.00 0.00 174.94 173.07 1pjw s ASN 102 N 1.67 5.34 0.14 4.50 2.20 -1.26 -0.54 114.94 127.00 1pjw s ASN 102 Ca 0.35 -0.12 0.06 0.00 -0.94 0.00 0.00 52.86 52.21 1pjw s ASN 102 Cb -0.13 -1.36 -0.04 0.00 -2.00 0.00 0.00 41.25 37.71 1pjw s ASN 102 CO 0.14 0.13 -0.13 -1.00 -2.94 0.00 0.00 177.10 173.30 1pjw s HIS 103 N -1.51 1.40 -0.81 1.54 3.76 0.11 -4.93 115.29 114.85 1pjw s HIS 103 Ca 0.29 -0.62 0.01 0.00 -0.15 0.00 0.00 55.06 54.59 1pjw s HIS 103 Cb -0.11 -0.71 0.20 0.00 1.11 0.00 0.00 32.58 33.07 1pjw s HIS 103 CO 0.21 0.16 0.65 -1.01 -0.85 0.00 0.00 174.74 173.90 1pjw s HIS 104 N -2.60 3.75 -0.33 1.40 3.76 -1.26 -2.07 115.29 117.94 1pjw s HIS 104 Ca 0.13 -3.14 -0.27 0.00 -0.15 0.00 0.00 55.06 51.62 1pjw s HIS 104 Cb -0.02 -3.04 -0.05 0.00 1.11 0.00 0.00 32.58 30.58 1pjw s HIS 104 CO 0.03 -0.67 2.18 -0.46 -0.85 0.00 0.00 174.74 174.97 1pjw s TRP 105 N -1.33 1.27 -0.10 1.40 -0.00 -0.53 -4.89 118.94 114.76 1pjw s TRP 105 Ca 0.26 0.83 -0.04 0.00 -0.00 0.00 0.00 56.10 57.15 1pjw s TRP 105 Cb -0.07 -3.88 -0.04 0.00 -0.00 0.00 0.00 33.47 29.48 1pjw s TRP 105 CO -0.13 -3.41 0.04 -1.01 -0.00 0.00 0.00 176.95 172.44 1pjw s HIS 106 N 9.11 3.28 -0.75 5.86 3.76 -1.26 -1.91 115.29 133.38 1pjw s HIS 106 Ca 0.95 0.27 0.09 0.00 -0.15 0.00 0.00 55.06 56.22 1pjw s HIS 106 Cb -0.26 -1.85 0.45 0.00 1.11 0.00 0.00 32.58 32.03 1pjw s HIS 106 CO 0.32 0.52 1.28 1.17 -0.85 0.00 0.00 174.74 177.17 1pjw n LYS 107 N 2.20 0.05 -3.63 1.40 3.00 -1.26 -4.75 118.16 115.16 1pjw n LYS 107 Ca -0.19 0.50 -0.03 0.00 -0.00 0.00 0.00 58.31 58.60 1pjw n LYS 107 Cb 0.54 -1.65 -0.03 0.00 0.00 0.00 0.00 35.03 33.89 1pjw n LYS 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pjw s ALA 108 N -3.17 -2.14 -0.09 3.14 0.00 -1.26 -5.16 121.76 113.09 1pjw s ALA 108 Ca 0.00 1.83 -0.23 0.00 0.00 0.00 0.00 51.96 53.56 1pjw s ALA 108 Cb 0.03 -0.74 0.05 0.00 0.00 0.00 0.00 23.12 22.47 1pjw s ALA 108 CO 0.11 -0.44 0.54 0.20 0.00 0.00 0.00 175.76 176.17 1pjw s GLY 109 N -1.68 -0.41 0.00 0.00 0.00 -1.26 -5.03 107.32 98.94 1pjw s GLY 109 Ca 0.10 1.12 0.00 0.00 0.00 0.00 0.00 44.72 45.93 1pjw s GLY 109 CO -0.05 0.84 0.00 -1.26 0.00 0.00 0.00 173.10 172.63 1pjw n SER 110 N 1.56 0.00 0.00 1.64 2.88 -1.26 -5.24 113.62 113.21 1pjw n SER 110 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1pjw n SER 110 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1pjw n SER 110 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22