#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 3.51 -0.30 -0.67 -0.14 -1.26 -5.08 119.74 115.81 1pjw s LYS 2 Ca 0.00 -0.47 -0.00 0.00 -1.36 0.00 0.00 55.97 54.14 1pjw s LYS 2 Cb 0.00 -2.91 0.09 0.00 -1.68 0.00 0.00 37.83 33.33 1pjw s LYS 2 CO 0.00 0.37 0.07 -0.51 -0.76 0.00 0.00 175.35 174.53 1pjw s LEU 3 N 0.02 2.59 -0.25 3.17 1.02 -1.26 -5.10 118.68 118.87 1pjw s LEU 3 Ca 0.02 -1.63 -0.12 0.00 0.02 0.00 0.00 54.13 52.42 1pjw s LEU 3 Cb -0.13 -0.99 -0.05 0.00 0.02 0.00 0.00 46.19 45.04 1pjw s LEU 3 CO 0.02 -0.39 0.22 0.00 0.02 0.00 0.00 176.35 176.23 1pjw s ALA 4 N 1.50 3.57 -0.38 4.21 0.00 -1.26 -5.05 121.76 124.35 1pjw s ALA 4 Ca 0.08 -0.92 -0.08 0.00 0.00 0.00 0.00 51.96 51.05 1pjw s ALA 4 Cb -0.18 -2.46 0.06 0.00 0.00 0.00 0.00 23.12 20.55 1pjw s ALA 4 CO -0.20 -0.40 0.19 -1.17 0.00 0.00 0.00 175.76 174.19 1pjw s LEU 5 N 1.47 4.82 0.31 0.00 2.96 -1.26 -5.08 118.68 121.90 1pjw s LEU 5 Ca 0.09 -1.40 0.07 0.00 -0.22 0.00 0.00 54.13 52.68 1pjw s LEU 5 Cb -0.15 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 1pjw s LEU 5 CO 0.08 -0.45 0.29 -0.75 -1.32 0.00 0.00 176.35 174.20 1pjw s LYS 6 N 1.39 2.87 -0.17 1.98 2.20 -1.26 -5.02 119.74 121.73 1pjw s LYS 6 Ca 0.02 -1.16 0.16 0.00 -0.36 0.00 0.00 55.97 54.62 1pjw s LYS 6 Cb -0.21 -2.57 0.55 0.00 -1.51 0.00 0.00 37.83 34.09 1pjw s LYS 6 CO 0.02 0.20 1.45 0.41 -0.36 0.00 0.00 175.35 177.07 1pjw n GLY 7 N -1.35 3.80 3.45 5.54 0.00 -1.26 -5.02 105.19 110.34 1pjw n GLY 7 Ca -0.04 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 1pjw n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1pjw n THR 8 N -0.27 0.00 -1.39 2.61 5.66 -1.26 -4.69 114.28 114.94 1pjw n THR 8 Ca 0.21 -0.33 -0.53 0.00 -3.05 0.00 0.00 64.05 60.36 1pjw n THR 8 Cb 0.89 -0.87 -0.09 0.00 -1.55 0.00 0.00 70.33 68.71 1pjw n THR 8 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1pjw n THR 9 N -4.64 0.12 -4.42 1.09 -1.04 -1.26 -4.91 114.28 99.22 1pjw n THR 9 Ca 0.04 -0.18 -0.21 0.00 -2.04 0.00 0.00 64.05 61.66 1pjw n THR 9 Cb 0.56 -1.29 -0.10 0.00 -1.82 0.00 0.00 70.33 67.67 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 7.09 1.89 -0.34 -1.42 1.51 -1.26 -5.12 117.35 119.71 1pjw s TYR 10 Ca 1.13 -0.88 0.03 0.00 -1.01 0.00 0.00 57.07 56.34 1pjw s TYR 10 Cb -1.05 -1.17 0.10 0.00 -0.11 0.00 0.00 41.96 39.73 1pjw s TYR 10 CO 0.53 0.08 0.05 0.20 -1.11 0.00 0.00 175.55 175.30 1pjw s GLY 11 N -3.44 1.91 -0.32 0.71 0.00 -1.26 -5.07 107.32 99.84 1pjw s GLY 11 Ca 0.33 -2.43 -0.29 0.00 0.00 0.00 0.00 44.72 42.33 1pjw s GLY 11 CO 0.13 0.90 1.24 1.06 0.00 0.00 0.00 173.10 176.44 1pjw s MET 12 N 0.96 3.93 -0.24 2.90 -1.94 -1.26 -4.19 119.30 119.45 1pjw s MET 12 Ca 0.08 1.15 -0.02 0.00 -1.71 0.00 0.00 55.69 55.19 1pjw s MET 12 Cb -0.20 -3.85 0.12 0.00 2.01 0.00 0.00 34.83 32.92 1pjw s MET 12 CO -0.07 -1.10 0.32 0.00 -0.01 0.00 0.00 175.02 174.16 1pjw n THR 14 N 5.34 0.00 0.81 0.00 -1.04 -1.25 -4.35 114.28 113.80 1pjw n THR 14 Ca -0.04 -1.02 0.08 0.00 -2.04 0.00 0.00 64.05 61.03 1pjw n THR 14 Cb 0.49 0.96 0.41 0.00 -1.82 0.00 0.00 70.33 70.38 1pjw n THR 14 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1pjw n GLU 15 N -1.27 0.31 -1.39 -2.82 0.00 -1.26 -4.08 120.64 110.12 1pjw n GLU 15 Ca -0.14 0.09 -0.39 0.00 0.00 0.00 0.00 57.16 56.72 1pjw n GLU 15 Cb 0.85 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.76 1pjw n GLU 15 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1pjw n LYS 16 N -1.19 3.45 -4.06 5.31 4.01 -1.26 -4.90 118.16 119.52 1pjw n LYS 16 Ca 0.09 -2.27 -0.36 0.00 -0.51 0.00 0.00 58.31 55.26 1pjw n LYS 16 Cb 0.10 -2.91 -0.07 0.00 -0.51 0.00 0.00 35.03 31.64 1pjw n LYS 16 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 1pjw s PHE 17 N 2.47 3.43 -0.14 2.13 0.40 -1.26 -1.54 117.98 123.46 1pjw s PHE 17 Ca 0.64 0.38 0.00 0.00 -0.60 0.00 0.00 56.93 57.35 1pjw s PHE 17 Cb 0.17 -1.87 0.02 0.00 0.51 0.00 0.00 43.02 41.86 1pjw s PHE 17 CO -0.07 0.63 -0.13 0.45 0.70 0.00 0.00 175.22 176.81 1pjw s SER 18 N -1.10 2.62 -0.44 1.36 0.15 -0.01 -4.91 113.70 111.36 1pjw s SER 18 Ca 0.16 -0.47 -0.28 0.00 0.70 0.00 0.00 55.95 56.05 1pjw s SER 18 Cb -0.12 -1.11 0.00 0.00 -1.71 0.00 0.00 66.02 63.08 1pjw s SER 18 CO 0.05 -0.07 1.51 -0.36 1.20 0.00 0.00 173.24 175.57 1pjw s PHE 19 N 1.53 2.22 -0.14 3.44 0.08 -1.26 -0.45 117.98 123.39 1pjw s PHE 19 Ca 0.05 0.63 0.09 0.00 0.12 0.00 0.00 56.93 57.82 1pjw s PHE 19 Cb -0.13 -4.28 -0.23 0.00 -0.57 0.00 0.00 43.02 37.81 1pjw s PHE 19 CO -0.10 -2.18 0.28 0.00 -0.10 0.00 0.00 175.22 173.11 1pjw n ALA 20 N 9.49 1.37 -3.09 5.36 0.00 0.42 -4.94 120.51 129.12 1pjw n ALA 20 Ca 0.17 -0.97 -0.11 0.00 0.00 0.00 0.00 53.44 52.53 1pjw n ALA 20 Cb 0.48 -0.49 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 -2.54 0.50 0.91 0.00 1.02 -0.97 -4.99 119.74 113.66 1pjw s LYS 21 Ca -0.15 -0.42 -0.12 0.00 0.02 0.00 0.00 55.97 55.31 1pjw s LYS 21 Cb 0.07 0.21 0.14 0.00 -0.52 0.00 0.00 37.83 37.72 1pjw s LYS 21 CO 0.78 -0.12 1.09 -0.80 -0.92 0.00 0.00 175.35 175.38 1pjw s ASN 22 N -1.44 3.36 -0.08 2.83 0.01 -1.26 -3.98 114.94 114.39 1pjw s ASN 22 Ca -0.14 1.50 -0.30 0.00 -0.71 0.00 0.00 52.86 53.21 1pjw s ASN 22 Cb -0.07 -2.17 -0.04 0.00 0.41 0.00 0.00 41.25 39.38 1pjw s ASN 22 CO 0.01 -2.71 1.34 -2.16 -1.51 0.00 0.00 177.10 172.08 1pjw s PRO 23 N -4.91 4.26 0.01 -0.60 0.04 -1.26 -4.68 135.00 127.86 1pjw s PRO 23 Ca 0.64 1.82 0.08 0.00 0.04 0.00 0.00 61.00 63.58 1pjw s PRO 23 Cb -0.18 -3.70 -0.02 0.00 0.04 0.00 0.00 34.50 30.64 1pjw s PRO 23 CO 0.57 -0.64 -0.23 0.00 0.04 0.00 0.00 177.00 176.74 1pjw s ALA 24 N 3.00 1.94 0.02 8.56 0.00 -0.65 -4.85 121.76 129.78 1pjw s ALA 24 Ca 0.60 -1.05 -0.28 0.00 0.00 0.00 0.00 51.96 51.23 1pjw s ALA 24 Cb -0.27 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 1pjw s ALA 24 CO 0.22 0.47 0.89 0.16 0.00 0.00 0.00 175.76 177.49 1pjw s ASP 25 N -0.79 7.30 -0.45 0.00 1.47 -1.26 0.15 116.67 123.10 1pjw s ASP 25 Ca 0.09 1.57 0.07 0.00 1.18 0.00 0.00 52.55 55.46 1pjw s ASP 25 Cb -0.09 -2.53 0.41 0.00 -0.34 0.00 0.00 42.92 40.37 1pjw s ASP 25 CO 0.00 -0.15 1.04 0.35 0.68 0.00 0.00 175.17 177.09 1pjw n THR 26 N 3.48 2.22 0.00 2.11 -2.24 0.40 -4.91 114.28 115.33 1pjw n THR 26 Ca 0.03 -4.80 0.00 0.00 -2.27 0.00 0.00 64.05 57.00 1pjw n THR 26 Cb 0.51 -0.99 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 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 -0.34 -0.00 3.05 3.38 0.00 -1.26 -4.87 105.19 105.15 1pjw n GLY 27 Ca 0.33 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 1pjw n GLY 27 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pjw s HIS 28 N 0.00 3.51 -0.04 1.61 3.76 -1.26 -4.61 115.29 118.26 1pjw s HIS 28 Ca 0.00 -2.82 0.00 0.00 -0.15 0.00 0.00 55.06 52.09 1pjw s HIS 28 Cb 0.00 -3.04 0.00 0.00 1.11 0.00 0.00 32.58 30.65 1pjw s HIS 28 CO 0.00 -0.89 0.00 0.41 -0.85 0.00 0.00 174.74 173.41 1pjw n GLY 29 N 3.93 0.40 3.10 -2.22 0.00 -1.26 -5.02 105.19 104.11 1pjw n GLY 29 Ca 0.03 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.02 2.52 -0.12 2.61 -4.23 -1.26 -4.29 115.64 108.84 1pjw s THR 30 Ca 0.00 -1.70 -0.05 0.00 -1.18 0.00 0.00 61.69 58.76 1pjw s THR 30 Cb 0.00 -2.55 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 1pjw s THR 30 CO 0.00 -0.19 0.07 -0.69 -0.54 0.00 0.00 174.62 173.27 1pjw s VAL 31 N 1.12 4.87 -0.09 2.29 1.01 0.06 0.15 120.40 129.80 1pjw s VAL 31 Ca -0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.92 1pjw s VAL 31 Cb -0.20 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 1pjw s VAL 31 CO -0.04 0.57 -0.07 0.68 0.00 0.00 0.00 175.10 176.24 1pjw s VAL 32 N -0.60 3.62 0.03 2.92 -7.23 0.40 -0.33 120.40 119.21 1pjw s VAL 32 Ca 0.11 -0.49 0.04 0.00 -1.81 0.00 0.00 61.98 59.84 1pjw s VAL 32 Cb -0.12 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.30 1pjw s VAL 32 CO 0.02 0.57 -0.13 -0.51 -0.31 0.00 0.00 175.10 174.74 1pjw s ILE 33 N -0.39 1.03 -0.29 -0.62 2.07 -0.23 -1.64 121.20 121.13 1pjw s ILE 33 Ca 0.06 -0.87 0.02 0.00 -1.41 0.00 0.00 60.65 58.45 1pjw s ILE 33 Cb -0.12 -0.93 0.08 0.00 0.13 0.00 0.00 42.46 41.62 1pjw s ILE 33 CO 0.02 0.05 -0.02 -0.70 -1.91 0.00 0.00 174.94 172.39 1pjw s GLU 34 N -0.94 1.65 0.00 3.50 2.12 -1.26 -1.05 118.70 122.73 1pjw s GLU 34 Ca 0.02 -1.43 0.07 0.00 0.36 0.00 0.00 54.97 53.99 1pjw s GLU 34 Cb -0.07 -2.84 -0.02 0.00 0.26 0.00 0.00 34.13 31.46 1pjw s GLU 34 CO 0.01 -0.76 -0.22 -0.51 -0.54 0.00 0.00 175.26 173.24 1pjw s LEU 35 N 1.15 2.09 -0.12 2.70 1.02 -0.34 -0.44 118.68 124.73 1pjw s LEU 35 Ca 0.01 -0.45 -0.19 0.00 0.02 0.00 0.00 54.13 53.52 1pjw s LEU 35 Cb -0.19 -1.11 -0.04 0.00 0.02 0.00 0.00 46.19 44.87 1pjw s LEU 35 CO -0.08 0.24 0.53 -0.44 0.02 0.00 0.00 176.35 176.62 1pjw s SER 36 N -0.75 6.72 -0.67 2.29 0.01 0.40 0.11 113.70 121.82 1pjw s SER 36 Ca 0.09 0.86 -0.20 0.00 1.31 0.00 0.00 55.95 58.01 1pjw s SER 36 Cb -0.09 -2.31 0.10 0.00 0.21 0.00 0.00 66.02 63.93 1pjw s SER 36 CO 0.00 -0.06 0.87 -0.47 0.41 0.00 0.00 173.24 173.99 1pjw s TYR 37 N 0.85 2.89 -1.30 2.43 5.04 -1.02 -0.83 117.35 125.41 1pjw s TYR 37 Ca 0.28 -0.87 -0.09 0.00 -2.44 0.00 0.00 57.07 53.95 1pjw s TYR 37 Cb -0.16 -4.16 0.16 0.00 0.35 0.00 0.00 41.96 38.15 1pjw s TYR 37 CO 0.12 -1.46 1.93 0.43 -1.34 0.00 0.00 175.55 175.22 1pjw n SER 38 N 6.88 5.13 -4.02 4.32 7.64 -0.59 -4.28 113.62 128.70 1pjw n SER 38 Ca -0.03 -3.09 -0.30 0.00 1.01 0.00 0.00 58.87 56.46 1pjw n SER 38 Cb 0.45 -1.48 -0.16 0.00 -1.01 0.00 0.00 64.21 62.00 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 0.98 1.14 -0.07 0.23 0.00 -1.26 -4.80 107.32 103.54 1pjw s GLY 39 Ca 0.41 -0.93 0.04 0.00 0.00 0.00 0.00 44.72 44.24 1pjw s GLY 39 CO -0.01 0.52 0.89 1.44 0.00 0.00 0.00 173.10 175.95 1pjw n SER 40 N 4.76 2.49 -0.77 1.64 7.64 -1.26 -3.68 113.62 124.45 1pjw n SER 40 Ca -0.17 -2.29 0.12 0.00 1.01 0.00 0.00 58.87 57.54 1pjw n SER 40 Cb 0.50 -0.56 0.19 0.00 -1.01 0.00 0.00 64.21 63.33 1pjw n SER 40 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1pjw n ASP 41 N 0.20 2.47 0.00 6.43 5.75 -1.26 -5.07 116.55 125.07 1pjw n ASP 41 Ca 0.09 -1.78 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 1pjw n ASP 41 Cb 0.55 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 1pjw n ASP 41 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pjw n GLY 42 N 1.32 -1.47 3.79 6.12 0.00 -1.24 -4.91 105.19 108.80 1pjw n GLY 42 Ca 0.14 -1.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 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 3.51 -0.05 1.61 0.04 -1.25 -4.96 135.00 133.90 1pjw s PRO 43 Ca 0.00 1.40 -0.31 0.00 0.04 0.00 0.00 61.00 62.13 1pjw s PRO 43 Cb 0.00 -2.05 0.11 0.00 0.04 0.00 0.00 34.50 32.60 1pjw s PRO 43 CO 0.00 -0.68 1.02 0.00 0.04 0.00 0.00 177.00 177.38 1pjw s LYS 45 N -2.87 3.95 -0.33 0.00 -0.14 -1.26 -0.21 119.74 118.89 1pjw s LYS 45 Ca 0.08 0.95 -0.29 0.00 -1.36 0.00 0.00 55.97 55.34 1pjw s LYS 45 Cb -0.01 -3.80 0.00 0.00 -1.68 0.00 0.00 37.83 32.34 1pjw s LYS 45 CO -0.06 -1.07 1.36 0.42 -0.76 0.00 0.00 175.35 175.24 1pjw s ILE 46 N 3.98 4.03 -0.99 2.17 1.01 0.47 -1.69 121.20 130.19 1pjw s ILE 46 Ca 0.48 1.14 -0.23 0.00 0.00 0.00 0.00 60.65 62.03 1pjw s ILE 46 Cb -0.11 -4.13 -0.01 0.00 0.01 0.00 0.00 42.46 38.22 1pjw s ILE 46 CO 0.21 -0.54 1.75 -2.16 0.00 0.00 0.00 174.94 174.20 1pjw s PRO 47 N 4.43 3.01 0.12 2.79 0.04 -1.26 -4.61 135.00 139.53 1pjw s PRO 47 Ca 0.59 -0.75 0.08 0.00 0.04 0.00 0.00 61.00 60.96 1pjw s PRO 47 Cb -0.16 -5.21 -0.04 0.00 0.04 0.00 0.00 34.50 29.13 1pjw s PRO 47 CO 0.26 -2.93 -0.19 0.42 0.04 0.00 0.00 177.00 174.60 1pjw s ILE 48 N 7.93 1.70 -0.02 0.56 1.01 -1.26 -1.80 121.20 129.32 1pjw s ILE 48 Ca 0.60 -1.65 0.02 0.00 0.00 0.00 0.00 60.65 59.62 1pjw s ILE 48 Cb -0.03 -1.62 0.00 0.00 0.01 0.00 0.00 42.46 40.82 1pjw s ILE 48 CO -0.03 -0.16 -0.08 0.68 0.00 0.00 0.00 174.94 175.35 1pjw s VAL 49 N -1.48 0.70 -0.30 2.92 -7.23 -0.82 -4.98 120.40 109.20 1pjw s VAL 49 Ca 0.09 -0.33 -0.00 0.00 -1.81 0.00 0.00 61.98 59.92 1pjw s VAL 49 Cb -0.08 -0.61 0.06 0.00 0.56 0.00 0.00 36.38 36.30 1pjw s VAL 49 CO 0.05 0.21 -0.02 -0.44 -0.31 0.00 0.00 175.10 174.59 1pjw s SER 50 N 0.07 4.77 0.14 4.85 0.01 -1.26 -1.51 113.70 120.77 1pjw s SER 50 Ca -0.01 -1.41 0.04 0.00 1.31 0.00 0.00 55.95 55.89 1pjw s SER 50 Cb -0.06 -1.67 -0.04 0.00 0.21 0.00 0.00 66.02 64.46 1pjw s SER 50 CO 0.00 -0.26 -0.10 0.68 0.41 0.00 0.00 173.24 173.96 1pjw s VAL 51 N 1.18 1.15 1.02 3.43 -7.23 -0.99 0.27 120.40 119.23 1pjw s VAL 51 Ca -0.05 -1.97 -0.13 0.00 -1.81 0.00 0.00 61.98 58.02 1pjw s VAL 51 Cb -0.20 -1.75 0.14 0.00 0.56 0.00 0.00 36.38 35.13 1pjw s VAL 51 CO -0.03 -0.69 0.72 0.00 -0.31 0.00 0.00 175.10 174.78 1pjw n ALA 52 N -0.03 -2.36 -1.81 1.32 0.00 -1.26 0.30 120.51 116.68 1pjw n ALA 52 Ca -0.11 -0.84 -0.42 0.00 0.00 0.00 0.00 53.44 52.07 1pjw n ALA 52 Cb 0.60 -1.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.09 1pjw n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pjw s SER 53 N -2.27 6.53 0.00 0.00 0.15 -0.09 -2.05 113.70 115.97 1pjw s SER 53 Ca 0.63 2.51 0.00 0.00 0.70 0.00 0.00 55.95 59.79 1pjw s SER 53 Cb -0.21 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 1pjw s SER 53 CO 0.64 -1.00 0.00 -0.11 1.20 0.00 0.00 173.24 173.97 1pjw n LEU 54 N 7.23 -0.92 -3.49 3.45 7.94 -1.26 -4.83 117.00 125.12 1pjw n LEU 54 Ca 0.19 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.81 1pjw n LEU 54 Cb 0.42 -0.46 -0.11 0.00 0.53 0.00 0.00 43.42 43.79 1pjw n LEU 54 CO 0.66 0.00 -0.29 0.20 -1.11 0.00 0.00 177.39 176.84 1pjw s ASN 55 N -2.93 2.46 -0.02 1.96 0.01 -0.87 -4.93 114.94 110.62 1pjw s ASN 55 Ca 0.00 -2.76 0.17 0.00 -0.71 0.00 0.00 52.86 49.56 1pjw s ASN 55 Cb 0.00 -0.57 0.51 0.00 0.41 0.00 0.00 41.25 41.59 1pjw s ASN 55 CO 0.00 -0.23 1.42 -0.67 -1.51 0.00 0.00 177.10 176.12 1pjw n ASP 56 N 3.29 3.62 -0.00 -1.22 2.03 -1.26 -4.30 116.55 118.71 1pjw n ASP 56 Ca 0.20 -2.11 0.06 0.00 0.52 0.00 0.00 54.79 53.46 1pjw n ASP 56 Cb 0.42 -0.39 -0.08 0.00 -0.72 0.00 0.00 41.12 40.34 1pjw n ASP 56 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 1pjw n MET 57 N 0.99 2.00 -4.13 -0.67 1.56 -1.26 -4.98 117.12 110.62 1pjw n MET 57 Ca 0.19 -0.05 -0.15 0.00 -0.27 0.00 0.00 57.70 57.43 1pjw n MET 57 Cb 0.59 -1.15 -0.14 0.00 2.15 0.00 0.00 33.22 34.68 1pjw n MET 57 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 1pjw s THR 58 N -2.40 0.44 0.23 1.12 -4.23 -1.26 -5.13 115.64 104.41 1pjw s THR 58 Ca 0.01 -0.46 -0.30 0.00 -1.18 0.00 0.00 61.69 59.76 1pjw s THR 58 Cb 0.08 -0.42 -0.09 0.00 1.34 0.00 0.00 72.50 73.42 1pjw s THR 58 CO 0.49 -0.03 1.18 -2.16 -0.54 0.00 0.00 174.62 173.56 1pjw s PRO 59 N -0.54 4.53 0.00 3.99 0.04 -1.26 -4.76 135.00 137.01 1pjw s PRO 59 Ca -0.01 1.89 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1pjw s PRO 59 Cb -0.04 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1pjw s PRO 59 CO -0.00 0.00 0.00 0.28 0.04 0.00 0.00 177.00 177.32 1pjw n VAL 60 N 1.90 0.00 -3.15 -0.36 0.31 -1.22 -4.97 118.33 110.84 1pjw n VAL 60 Ca 0.02 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.01 1pjw n VAL 60 Cb 0.44 -0.37 -0.06 0.00 -0.91 0.00 0.00 33.84 32.95 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 -4.25 2.46 0.05 2.92 0.00 0.76 -4.50 107.32 104.76 1pjw s GLY 61 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.79 1pjw s GLY 61 CO 0.00 0.34 -0.04 0.50 0.00 0.00 0.00 173.10 173.90 1pjw s ARG 62 N -2.46 0.57 -0.45 2.90 0.52 -1.26 -4.11 118.95 114.67 1pjw s ARG 62 Ca 0.48 -1.04 -0.21 0.00 -0.52 0.00 0.00 55.73 54.44 1pjw s ARG 62 Cb -0.13 0.04 0.03 0.00 0.52 0.00 0.00 34.95 35.40 1pjw s ARG 62 CO 0.19 -0.06 0.65 -0.51 0.02 0.00 0.00 175.30 175.59 1pjw s LEU 63 N -2.43 4.53 0.23 2.53 1.02 -1.26 -0.23 118.68 123.07 1pjw s LEU 63 Ca 0.00 -0.38 -0.06 0.00 0.02 0.00 0.00 54.13 53.71 1pjw s LEU 63 Cb 0.01 -2.71 0.33 0.00 0.02 0.00 0.00 46.19 43.85 1pjw s LEU 63 CO -0.06 -0.80 1.81 0.58 0.02 0.00 0.00 176.35 177.91 1pjw h VAL 64 N 5.88 0.94 -4.16 -1.59 2.07 -1.23 -3.42 116.25 114.74 1pjw h VAL 64 Ca -0.26 -0.27 -0.46 0.00 0.82 0.00 0.00 66.70 66.54 1pjw h VAL 64 Cb 1.10 0.10 0.14 0.00 -1.52 0.00 0.00 31.29 31.10 1pjw h VAL 64 CO 0.90 0.14 0.28 -0.89 0.02 0.00 0.00 177.57 178.02 1pjw s THR 65 N -6.06 2.10 1.03 2.57 2.01 -1.23 -4.96 115.64 111.09 1pjw s THR 65 Ca -0.13 0.03 -0.23 0.00 0.31 0.00 0.00 61.69 61.67 1pjw s THR 65 Cb 0.18 -2.72 -0.07 0.00 0.01 0.00 0.00 72.50 69.90 1pjw s THR 65 CO 0.78 -0.04 -0.89 0.52 -0.69 0.00 0.00 174.62 174.29 1pjw n VAL 66 N -3.84 0.00 -1.01 3.82 0.31 -1.26 -4.78 118.33 111.57 1pjw n VAL 66 Ca 0.06 -0.11 -0.35 0.00 -0.01 0.00 0.00 64.34 63.93 1pjw n VAL 66 Cb 0.59 -0.23 0.07 0.00 -0.91 0.00 0.00 33.84 33.36 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 1.46 -3.29 -3.49 4.52 3.02 -1.26 -4.70 115.26 111.52 1pjw n ASN 67 Ca -0.01 0.37 -0.37 0.00 -0.03 0.00 0.00 54.58 54.54 1pjw n ASN 67 Cb 0.67 -1.03 -0.03 0.00 -0.61 0.00 0.00 39.78 38.77 1pjw n ASN 67 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1pjw n PRO 68 N 0.15 2.11 -4.28 3.52 -0.04 -1.26 -4.85 135.00 130.33 1pjw n PRO 68 Ca 0.05 -1.91 -0.32 0.00 -0.04 0.00 0.00 63.50 61.28 1pjw n PRO 68 Cb 0.53 -2.85 -0.16 0.00 -0.04 0.00 0.00 33.50 30.98 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 3.98 2.63 -1.61 0.54 0.08 -1.26 0.18 117.98 122.52 1pjw s PHE 69 Ca 0.52 -1.48 -0.10 0.00 0.12 0.00 0.00 56.93 55.99 1pjw s PHE 69 Cb 0.13 -1.83 -0.08 0.00 -0.57 0.00 0.00 43.02 40.68 1pjw s PHE 69 CO 0.02 -0.72 2.92 0.28 -0.10 0.00 0.00 175.22 177.62 1pjw n VAL 70 N 4.46 4.26 -1.60 -0.44 0.31 0.71 -4.77 118.33 121.26 1pjw n VAL 70 Ca -0.20 -2.59 -0.40 0.00 -0.01 0.00 0.00 64.34 61.14 1pjw n VAL 70 Cb 0.50 -2.61 -0.02 0.00 -0.91 0.00 0.00 33.84 30.80 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 3.74 7.04 -2.33 3.52 0.00 -1.26 -2.81 120.51 128.41 1pjw n ALA 71 Ca 0.77 -3.76 -0.09 0.00 0.00 0.00 0.00 53.44 50.36 1pjw n ALA 71 Cb 0.24 -3.21 -0.09 0.00 0.00 0.00 0.00 19.45 16.39 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 1.27 0.11 -0.93 0.00 2.01 -1.26 -5.04 115.64 111.79 1pjw s THR 72 Ca 0.62 -1.70 0.23 0.00 0.31 0.00 0.00 61.69 61.15 1pjw s THR 72 Cb 0.17 -1.88 -0.09 0.00 0.01 0.00 0.00 72.50 70.70 1pjw s THR 72 CO -0.07 -0.49 1.17 -1.54 -0.69 0.00 0.00 174.62 173.01 1pjw n SER 73 N -0.10 0.69 -0.07 3.53 3.41 -1.26 -4.08 113.62 115.73 1pjw n SER 73 Ca -0.08 -0.50 0.08 0.00 -0.26 0.00 0.00 58.87 58.12 1pjw n SER 73 Cb 0.63 0.60 0.11 0.00 -0.26 0.00 0.00 64.21 65.29 1pjw n SER 73 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1pjw n SER 74 N -1.58 2.18 -0.21 4.04 7.64 -1.26 -4.66 113.62 119.77 1pjw n SER 74 Ca 0.04 -2.85 0.01 0.00 1.01 0.00 0.00 58.87 57.09 1pjw n SER 74 Cb 0.35 -0.35 0.03 0.00 -1.01 0.00 0.00 64.21 63.24 1pjw n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pjw n ALA 75 N -1.21 2.51 0.94 -0.43 0.00 -1.26 -3.61 120.51 117.44 1pjw n ALA 75 Ca 0.13 -0.14 0.02 0.00 0.00 0.00 0.00 53.44 53.45 1pjw n ALA 75 Cb 0.58 -1.00 0.10 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.23 1.65 -2.32 0.00 3.02 -1.26 -3.82 115.26 112.30 1pjw n ASN 76 Ca 0.03 -2.12 -0.06 0.00 -0.03 0.00 0.00 54.58 52.39 1pjw n ASN 76 Cb 0.10 -0.34 -0.01 0.00 -0.61 0.00 0.00 39.78 38.92 1pjw n ASN 76 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1pjw n SER 77 N 0.12 1.77 -4.56 6.41 3.41 -1.24 -4.49 113.62 115.04 1pjw n SER 77 Ca 0.07 -1.46 -0.17 0.00 -0.26 0.00 0.00 58.87 57.05 1pjw n SER 77 Cb 0.33 0.13 -0.07 0.00 -0.26 0.00 0.00 64.21 64.35 1pjw n SER 77 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1pjw s LYS 78 N -2.36 1.82 0.97 4.33 -2.85 -1.26 -2.44 119.74 117.95 1pjw s LYS 78 Ca 0.02 0.16 -0.15 0.00 -1.00 0.00 0.00 55.97 55.00 1pjw s LYS 78 Cb 0.00 -4.88 0.18 0.00 -2.06 0.00 0.00 37.83 31.07 1pjw s LYS 78 CO 0.01 -4.28 1.21 0.14 0.10 0.00 0.00 175.35 172.53 1pjw s VAL 79 N 13.75 1.92 -0.05 1.79 -7.23 0.12 -4.72 120.40 125.99 1pjw s VAL 79 Ca 0.85 0.00 -0.02 0.00 -1.81 0.00 0.00 61.98 61.01 1pjw s VAL 79 Cb -0.10 -2.83 0.03 0.00 0.56 0.00 0.00 36.38 34.04 1pjw s VAL 79 CO 0.07 0.00 0.04 -0.22 -0.31 0.00 0.00 175.10 174.68 1pjw s LEU 80 N -6.09 0.29 0.45 1.32 0.20 -1.26 -1.20 118.68 112.39 1pjw s LEU 80 Ca 0.69 0.04 0.06 0.00 0.69 0.00 0.00 54.13 55.60 1pjw s LEU 80 Cb -0.09 -0.22 -0.04 0.00 -0.43 0.00 0.00 46.19 45.41 1pjw s LEU 80 CO 0.53 -0.23 0.11 -0.69 -0.29 0.00 0.00 176.35 175.78 1pjw s VAL 81 N 2.07 1.89 0.20 1.68 1.01 -0.22 -4.93 120.40 122.10 1pjw s VAL 81 Ca 0.04 -1.85 0.11 0.00 0.00 0.00 0.00 61.98 60.29 1pjw s VAL 81 Cb -0.12 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1pjw s VAL 81 CO -0.04 0.00 -0.23 -1.61 0.00 0.00 0.00 175.10 173.22 1pjw s GLU 82 N -3.87 1.50 -0.08 2.72 2.02 -1.26 -1.07 118.70 118.66 1pjw s GLU 82 Ca 0.30 -1.53 -0.08 0.00 0.02 0.00 0.00 54.97 53.69 1pjw s GLU 82 Cb 0.05 -1.77 0.02 0.00 0.10 0.00 0.00 34.13 32.53 1pjw s GLU 82 CO 0.17 0.38 0.22 1.41 0.02 0.00 0.00 175.26 177.45 1pjw s MET 83 N -2.75 0.27 -0.74 1.61 1.75 0.55 -0.76 119.30 119.23 1pjw s MET 83 Ca 0.21 0.28 0.03 0.00 -1.25 0.00 0.00 55.69 54.96 1pjw s MET 83 Cb -0.07 0.13 0.32 0.00 2.84 0.00 0.00 34.83 38.04 1pjw s MET 83 CO 0.10 -0.03 1.17 -0.85 -0.65 0.00 0.00 175.02 174.75 1pjw n GLU 84 N 2.90 3.75 -2.42 4.11 0.28 0.68 -0.76 120.64 129.17 1pjw n GLU 84 Ca -0.13 -4.76 -0.35 0.00 -0.16 0.00 0.00 57.16 51.76 1pjw n GLU 84 Cb 0.58 -2.32 -0.02 0.00 1.43 0.00 0.00 31.44 31.11 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 -3.43 3.76 0.58 3.44 0.04 -1.26 -4.17 135.00 133.96 1pjw s PRO 85 Ca 0.43 1.54 -0.17 0.00 0.04 0.00 0.00 61.00 62.83 1pjw s PRO 85 Cb 0.21 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1pjw s PRO 85 CO -0.09 -0.50 1.09 -1.25 0.04 0.00 0.00 177.00 176.30 1pjw s PRO 86 N -2.98 3.26 0.20 0.56 0.04 -1.26 -4.93 135.00 129.89 1pjw s PRO 86 Ca 0.66 1.41 -0.32 0.00 0.04 0.00 0.00 61.00 62.79 1pjw s PRO 86 Cb -0.22 -2.01 -0.14 0.00 0.04 0.00 0.00 34.50 32.17 1pjw s PRO 86 CO 0.26 -0.88 1.37 1.19 0.04 0.00 0.00 177.00 178.98 1pjw n PHE 87 N -1.73 1.92 0.00 0.56 3.72 -1.26 -4.77 117.46 115.90 1pjw n PHE 87 Ca 0.10 0.48 0.00 0.00 -0.05 0.00 0.00 57.45 57.99 1pjw n PHE 87 Cb 0.52 -2.42 0.00 0.00 -0.94 0.00 0.00 39.48 36.64 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 2.33 3.22 3.50 1.37 0.00 -1.26 -5.06 105.19 109.29 1pjw n GLY 88 Ca 0.14 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 1pjw n GLY 88 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pjw n ASP 89 N 0.00 -0.95 -3.82 1.61 5.68 -1.26 -4.77 116.55 113.04 1pjw n ASP 89 Ca 0.00 0.54 -0.13 0.00 -0.50 0.00 0.00 54.79 54.71 1pjw n ASP 89 Cb 0.00 -1.27 -0.13 0.00 -1.14 0.00 0.00 41.12 38.58 1pjw n ASP 89 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1pjw s SER 90 N -1.68 -0.11 -0.48 -1.12 1.04 -0.83 -0.91 113.70 109.61 1pjw s SER 90 Ca 0.65 0.23 -0.14 0.00 0.48 0.00 0.00 55.95 57.17 1pjw s SER 90 Cb -0.31 0.21 0.09 0.00 0.10 0.00 0.00 66.02 66.11 1pjw s SER 90 CO 0.58 -0.06 0.40 -0.31 0.98 0.00 0.00 173.24 174.83 1pjw s TYR 91 N 0.28 3.27 -0.12 5.02 1.51 0.89 -2.09 117.35 126.11 1pjw s TYR 91 Ca -0.02 -1.19 -0.06 0.00 -1.01 0.00 0.00 57.07 54.79 1pjw s TYR 91 Cb -0.03 -3.33 -0.04 0.00 -0.11 0.00 0.00 41.96 38.45 1pjw s TYR 91 CO -0.01 -0.88 0.11 0.42 -1.11 0.00 0.00 175.55 174.08 1pjw s ILE 92 N 1.58 5.24 -0.20 2.71 1.09 0.12 -2.35 121.20 129.39 1pjw s ILE 92 Ca 0.04 0.11 0.01 0.00 -1.10 0.00 0.00 60.65 59.70 1pjw s ILE 92 Cb -0.26 -3.28 0.05 0.00 -1.06 0.00 0.00 42.46 37.91 1pjw s ILE 92 CO 0.04 0.60 -0.08 -0.69 -0.10 0.00 0.00 174.94 174.71 1pjw s VAL 93 N -0.86 1.53 -0.76 2.92 1.01 -0.57 -0.39 120.40 123.29 1pjw s VAL 93 Ca 0.14 -0.99 -0.13 0.00 0.00 0.00 0.00 61.98 61.00 1pjw s VAL 93 Cb -0.12 -1.66 0.20 0.00 0.00 0.00 0.00 36.38 34.80 1pjw s VAL 93 CO 0.03 0.10 0.68 -0.69 0.00 0.00 0.00 175.10 175.23 1pjw s VAL 94 N 1.43 5.26 0.23 2.92 1.01 0.39 -1.95 120.40 129.70 1pjw s VAL 94 Ca -0.02 -2.41 -0.17 0.00 0.00 0.00 0.00 61.98 59.38 1pjw s VAL 94 Cb -0.17 -4.29 0.02 0.00 0.00 0.00 0.00 36.38 31.94 1pjw s VAL 94 CO -0.08 -0.98 0.56 -0.83 0.00 0.00 0.00 175.10 173.77 1pjw s GLY 95 N 2.13 0.11 0.00 4.51 0.00 -0.75 -2.41 107.32 110.92 1pjw s GLY 95 Ca 0.16 -0.46 0.00 0.00 0.00 0.00 0.00 44.72 44.42 1pjw s GLY 95 CO -0.07 -0.33 0.00 1.15 0.00 0.00 0.00 173.10 173.85 1pjw n MET 96 N -0.39 3.96 -0.02 2.90 0.00 -1.11 -4.29 117.12 118.17 1pjw n MET 96 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 57.70 57.48 1pjw n MET 96 Cb 0.61 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.74 1pjw n MET 96 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1pjw h GLY 97 N 0.00 0.52 0.00 3.17 0.00 -1.96 -3.42 103.07 101.38 1pjw h GLY 97 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.58 1pjw h GLY 97 CO 0.00 0.66 0.00 1.34 0.00 0.00 0.00 176.54 178.54 1pjw n ASP 98 N -4.27 0.00 -4.73 0.19 -0.08 -1.26 -4.87 116.55 101.52 1pjw n ASP 98 Ca -0.08 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.79 1pjw n ASP 98 Cb 0.59 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 44.00 1pjw n ASP 98 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1pjw s LYS 99 N 0.00 4.73 0.02 -0.67 2.20 -1.26 -5.05 119.74 119.71 1pjw s LYS 99 Ca 0.00 1.49 -0.00 0.00 -0.36 0.00 0.00 55.97 57.09 1pjw s LYS 99 Cb 0.00 -3.34 -0.02 0.00 -1.51 0.00 0.00 37.83 32.96 1pjw s LYS 99 CO 0.00 0.28 -0.03 1.14 -0.36 0.00 0.00 175.35 176.38 1pjw s GLN 100 N -0.34 0.32 0.07 4.03 1.03 -1.26 -2.74 119.66 120.77 1pjw s GLN 100 Ca 0.46 -0.61 0.07 0.00 0.04 0.00 0.00 55.36 55.32 1pjw s GLN 100 Cb -0.25 0.11 -0.04 0.00 0.03 0.00 0.00 33.01 32.87 1pjw s GLN 100 CO 0.31 -0.05 -0.17 0.42 -2.54 0.00 0.00 175.29 173.26 1pjw s ILE 101 N -1.49 2.89 -0.06 3.63 1.01 -1.01 -4.88 121.20 121.28 1pjw s ILE 101 Ca -0.16 -1.27 0.02 0.00 0.00 0.00 0.00 60.65 59.24 1pjw s ILE 101 Cb -0.10 -2.26 0.02 0.00 0.01 0.00 0.00 42.46 40.13 1pjw s ILE 101 CO -0.01 0.25 -0.10 0.54 0.00 0.00 0.00 174.94 175.62 1pjw s ASN 102 N -1.72 1.49 0.16 3.58 4.22 -1.26 -0.46 114.94 120.95 1pjw s ASN 102 Ca 0.16 -0.24 0.02 0.00 -2.14 0.00 0.00 52.86 50.66 1pjw s ASN 102 Cb -0.11 -0.70 -0.04 0.00 1.28 0.00 0.00 41.25 41.68 1pjw s ASN 102 CO 0.07 0.00 -0.00 -1.00 -2.04 0.00 0.00 177.10 174.13 1pjw s HIS 103 N 0.76 1.13 0.17 1.54 3.76 0.48 -4.98 115.29 118.14 1pjw s HIS 103 Ca -0.13 -1.02 0.02 0.00 -0.15 0.00 0.00 55.06 53.78 1pjw s HIS 103 Cb -0.15 -0.64 -0.05 0.00 1.11 0.00 0.00 32.58 32.85 1pjw s HIS 103 CO 0.02 -0.23 -0.01 -3.38 -0.85 0.00 0.00 174.74 170.30 1pjw s HIS 104 N -3.69 1.23 -0.07 1.40 -3.43 -1.26 -0.70 115.29 108.78 1pjw s HIS 104 Ca 0.22 -0.99 -0.04 0.00 -0.80 0.00 0.00 55.06 53.45 1pjw s HIS 104 Cb 0.06 -0.70 0.03 0.00 -1.43 0.00 0.00 32.58 30.54 1pjw s HIS 104 CO 0.02 -0.18 0.16 -1.58 -2.00 0.00 0.00 174.74 171.16 1pjw s TRP 105 N -3.62 -0.19 -0.07 0.38 0.52 -0.89 -4.97 118.94 110.10 1pjw s TRP 105 Ca 0.24 0.50 0.05 0.00 0.02 0.00 0.00 56.10 56.91 1pjw s TRP 105 Cb 0.06 -0.02 -0.01 0.00 -1.15 0.00 0.00 33.47 32.35 1pjw s TRP 105 CO 0.04 -0.15 -0.25 -1.58 0.02 0.00 0.00 176.95 175.04 1pjw s HIS 106 N 0.83 2.47 -0.15 -1.98 2.46 -1.26 -1.97 115.29 115.68 1pjw s HIS 106 Ca -0.06 -0.83 0.10 0.00 0.47 0.00 0.00 55.06 54.74 1pjw s HIS 106 Cb -0.08 -1.63 -0.14 0.00 -0.13 0.00 0.00 32.58 30.60 1pjw s HIS 106 CO -0.04 -0.28 0.28 0.36 -2.47 0.00 0.00 174.74 172.58 1pjw n LYS 107 N 3.14 1.39 0.00 2.88 2.85 -1.26 -5.01 118.16 122.15 1pjw n LYS 107 Ca -0.18 -0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.02 1pjw n LYS 107 Cb 0.52 -1.15 0.00 0.00 -0.65 0.00 0.00 35.03 33.75 1pjw n LYS 107 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1pjw n ALA 108 N -1.65 0.00 -2.69 0.58 0.00 -1.26 -5.08 120.51 110.41 1pjw n ALA 108 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1pjw n ALA 108 Cb 0.23 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.01 1.65 3.97 0.00 0.00 -1.26 -4.60 105.19 104.94 1pjw n GLY 109 Ca 0.00 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 1pjw n GLY 109 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pjw s SER 110 N -1.18 4.83 0.00 1.61 1.04 -1.26 -5.22 113.70 113.53 1pjw s SER 110 Ca 0.16 0.01 0.03 0.00 0.48 0.00 0.00 55.95 56.64 1pjw s SER 110 Cb 0.42 -0.67 0.03 0.00 0.10 0.00 0.00 66.02 65.90 1pjw s SER 110 CO -0.11 -1.51 0.61 1.07 0.98 0.00 0.00 173.24 174.28