#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 2.05 -0.10 0.11 2.20 -1.26 -5.08 119.74 117.66 1pjw s LYS 2 Ca 0.00 -1.89 -0.30 0.00 -0.36 0.00 0.00 55.97 53.42 1pjw s LYS 2 Cb 0.00 -1.84 -0.03 0.00 -1.51 0.00 0.00 37.83 34.45 1pjw s LYS 2 CO 0.00 0.02 1.37 -0.51 -0.36 0.00 0.00 175.35 175.87 1pjw s LEU 3 N -3.75 4.25 0.54 5.43 2.01 -1.26 -5.01 118.68 120.89 1pjw s LEU 3 Ca 0.36 1.90 -0.06 0.00 0.01 0.00 0.00 54.13 56.33 1pjw s LEU 3 Cb 0.04 -3.54 -0.02 0.00 0.01 0.00 0.00 46.19 42.68 1pjw s LEU 3 CO 0.19 -0.77 0.86 0.00 1.01 0.00 0.00 176.35 177.64 1pjw s ALA 4 N 3.31 3.32 -1.11 4.21 0.00 -1.26 -5.00 121.76 125.23 1pjw s ALA 4 Ca 0.61 -0.51 -0.05 0.00 0.00 0.00 0.00 51.96 52.00 1pjw s ALA 4 Cb -0.26 -2.67 0.29 0.00 0.00 0.00 0.00 23.12 20.48 1pjw s ALA 4 CO 0.21 -0.56 1.48 1.28 0.00 0.00 0.00 175.76 178.16 1pjw n LEU 5 N -2.45 6.34 -4.84 0.00 4.77 -1.26 -5.01 117.00 114.55 1pjw n LEU 5 Ca 0.03 -5.13 -0.22 0.00 -0.03 0.00 0.00 56.01 50.66 1pjw n LEU 5 Cb 0.56 -1.32 -0.04 0.00 -2.33 0.00 0.00 43.42 40.29 1pjw n LEU 5 CO 0.54 1.61 -0.15 -0.75 -1.33 0.00 0.00 177.39 177.31 1pjw s LYS 6 N -2.27 2.98 0.00 3.23 2.47 -1.26 -4.77 119.74 120.13 1pjw s LYS 6 Ca 0.32 -1.02 0.00 0.00 -1.56 0.00 0.00 55.97 53.71 1pjw s LYS 6 Cb 0.03 -2.60 0.00 0.00 -1.46 0.00 0.00 37.83 33.80 1pjw s LYS 6 CO 0.08 0.40 0.00 0.41 0.16 0.00 0.00 175.35 176.40 1pjw n GLY 7 N -1.21 3.05 2.91 5.54 0.00 -1.26 -5.08 105.19 109.14 1pjw n GLY 7 Ca -0.08 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 1pjw n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1pjw s THR 8 N 0.00 1.26 -0.63 2.61 -1.32 -1.26 -5.08 115.64 111.22 1pjw s THR 8 Ca 0.00 -0.82 -0.19 0.00 -1.21 0.00 0.00 61.69 59.48 1pjw s THR 8 Cb 0.00 -1.45 0.11 0.00 -1.51 0.00 0.00 72.50 69.65 1pjw s THR 8 CO 0.00 0.07 0.74 0.42 -2.21 0.00 0.00 174.62 173.64 1pjw s THR 9 N 1.55 4.83 0.48 5.08 -4.23 -1.26 -5.03 115.64 117.06 1pjw s THR 9 Ca -0.01 -1.08 0.08 0.00 -1.18 0.00 0.00 61.69 59.50 1pjw s THR 9 Cb -0.16 -4.51 0.02 0.00 1.34 0.00 0.00 72.50 69.18 1pjw s THR 9 CO -0.08 -1.16 0.48 -0.31 -0.54 0.00 0.00 174.62 173.02 1pjw s TYR 10 N 2.62 2.19 0.07 3.99 2.02 -1.26 -5.10 117.35 121.88 1pjw s TYR 10 Ca 0.13 -0.62 -0.22 0.00 -0.37 0.00 0.00 57.07 55.99 1pjw s TYR 10 Cb -0.22 -2.13 -0.06 0.00 -0.40 0.00 0.00 41.96 39.14 1pjw s TYR 10 CO 0.05 -0.44 0.66 0.20 -1.57 0.00 0.00 175.55 174.45 1pjw s GLY 11 N -4.29 2.73 -0.29 0.71 0.00 -1.26 -5.01 107.32 99.91 1pjw s GLY 11 Ca 0.48 0.15 -0.28 0.00 0.00 0.00 0.00 44.72 45.07 1pjw s GLY 11 CO 0.29 0.74 1.00 -3.16 0.00 0.00 0.00 173.10 171.97 1pjw s MET 12 N -0.69 4.11 -0.24 2.90 0.23 -1.26 -4.24 119.30 120.11 1pjw s MET 12 Ca 0.33 1.05 -0.02 0.00 -1.03 0.00 0.00 55.69 56.01 1pjw s MET 12 Cb -0.20 -3.70 0.12 0.00 -1.53 0.00 0.00 34.83 29.52 1pjw s MET 12 CO 0.21 -0.77 0.32 0.00 -2.03 0.00 0.00 175.02 172.76 1pjw n THR 14 N 5.34 0.00 1.68 0.00 -1.04 -1.23 -4.40 114.28 114.63 1pjw n THR 14 Ca -0.04 -1.43 0.00 0.00 -2.04 0.00 0.00 64.05 60.54 1pjw n THR 14 Cb 0.49 1.02 0.00 0.00 -1.82 0.00 0.00 70.33 70.03 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 -0.48 0.94 -2.71 -2.82 0.28 -1.26 -4.20 120.64 110.40 1pjw n GLU 15 Ca -0.04 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.56 1pjw n GLU 15 Cb 0.82 -1.10 0.01 0.00 1.43 0.00 0.00 31.44 32.60 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 -0.38 5.18 -3.92 3.44 4.01 -1.26 -4.92 118.16 120.31 1pjw n LYS 16 Ca 0.00 -4.67 -0.34 0.00 -0.51 0.00 0.00 58.31 52.79 1pjw n LYS 16 Cb 0.05 -2.46 -0.05 0.00 -0.51 0.00 0.00 35.03 32.06 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 -4.09 3.54 -0.32 2.13 0.40 -1.26 -2.52 117.98 115.86 1pjw s PHE 17 Ca 0.39 0.40 0.01 0.00 -0.60 0.00 0.00 56.93 57.12 1pjw s PHE 17 Cb 0.18 -1.86 0.10 0.00 0.51 0.00 0.00 43.02 41.95 1pjw s PHE 17 CO -0.10 0.67 0.08 0.45 0.70 0.00 0.00 175.22 177.01 1pjw s SER 18 N -1.64 4.31 -0.29 1.36 0.15 -0.32 -4.91 113.70 112.36 1pjw s SER 18 Ca 0.23 -1.83 -0.28 0.00 0.70 0.00 0.00 55.95 54.76 1pjw s SER 18 Cb -0.12 -1.16 -0.06 0.00 -1.71 0.00 0.00 66.02 62.96 1pjw s SER 18 CO 0.14 -0.40 2.27 2.22 1.20 0.00 0.00 173.24 178.67 1pjw n PHE 19 N 4.62 1.81 0.01 3.44 1.16 -1.26 -1.06 117.46 126.17 1pjw n PHE 19 Ca 0.00 -0.04 0.04 0.00 -1.87 0.00 0.00 57.45 55.58 1pjw n PHE 19 Cb 0.42 -2.69 -0.10 0.00 -1.61 0.00 0.00 39.48 35.50 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 12.43 2.25 -2.98 1.98 0.00 0.71 -4.93 120.51 129.96 1pjw n ALA 20 Ca 0.33 -0.59 -0.11 0.00 0.00 0.00 0.00 53.44 53.06 1pjw n ALA 20 Cb 0.45 -0.81 -0.12 0.00 0.00 0.00 0.00 19.45 18.97 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 -3.12 0.20 0.89 0.00 1.02 -1.05 -4.99 119.74 112.69 1pjw s LYS 21 Ca -0.05 -0.13 -0.11 0.00 0.02 0.00 0.00 55.97 55.70 1pjw s LYS 21 Cb 0.10 0.08 0.13 0.00 -0.52 0.00 0.00 37.83 37.62 1pjw s LYS 21 CO 0.84 -0.04 1.10 0.54 -0.92 0.00 0.00 175.35 176.87 1pjw s ASN 22 N -0.52 3.40 0.18 2.83 4.22 -1.26 -3.91 114.94 119.88 1pjw s ASN 22 Ca -0.06 1.75 -0.30 0.00 -2.14 0.00 0.00 52.86 52.11 1pjw s ASN 22 Cb -0.04 -2.38 -0.08 0.00 1.28 0.00 0.00 41.25 40.03 1pjw s ASN 22 CO 0.00 -2.73 1.19 -2.16 -2.04 0.00 0.00 177.10 171.36 1pjw s PRO 23 N -4.81 4.50 0.07 3.55 0.04 -1.26 -4.66 135.00 132.43 1pjw s PRO 23 Ca 0.64 1.86 0.01 0.00 0.04 0.00 0.00 61.00 63.55 1pjw s PRO 23 Cb -0.19 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 1pjw s PRO 23 CO 0.58 -0.08 -0.06 0.00 0.04 0.00 0.00 177.00 177.48 1pjw s ALA 24 N -0.06 0.77 0.30 8.56 0.00 -0.42 -4.79 121.76 126.12 1pjw s ALA 24 Ca 0.53 -1.14 -0.16 0.00 0.00 0.00 0.00 51.96 51.18 1pjw s ALA 24 Cb -0.32 0.14 -0.09 0.00 0.00 0.00 0.00 23.12 22.85 1pjw s ALA 24 CO 0.36 -0.19 0.74 0.34 0.00 0.00 0.00 175.76 177.02 1pjw s ASP 25 N -2.56 6.86 0.00 0.00 -1.08 -1.26 0.11 116.67 118.74 1pjw s ASP 25 Ca 0.04 1.33 0.03 0.00 -0.52 0.00 0.00 52.55 53.44 1pjw s ASP 25 Cb 0.01 -2.39 -0.01 0.00 -1.46 0.00 0.00 42.92 39.07 1pjw s ASP 25 CO -0.04 -0.15 0.34 0.35 0.52 0.00 0.00 175.17 176.19 1pjw n THR 26 N -0.09 0.00 0.00 1.71 -2.24 0.34 -4.88 114.28 109.12 1pjw n THR 26 Ca 0.02 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1pjw n THR 26 Cb 0.53 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 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 0.72 -0.75 2.63 3.38 0.00 -1.26 -5.03 105.19 104.88 1pjw n GLY 27 Ca 0.01 0.63 -0.29 0.00 0.00 0.00 0.00 46.02 46.37 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 1.58 1.67 0.00 1.61 2.46 -1.26 -4.78 115.29 116.56 1pjw s HIS 28 Ca 0.00 -2.25 0.00 0.00 0.47 0.00 0.00 55.06 53.28 1pjw s HIS 28 Cb 0.00 -1.61 0.00 0.00 -0.13 0.00 0.00 32.58 30.84 1pjw s HIS 28 CO 0.00 -0.79 0.00 0.41 -2.47 0.00 0.00 174.74 171.89 1pjw n GLY 29 N 3.56 1.73 2.67 1.59 0.00 -1.26 -5.08 105.19 108.39 1pjw n GLY 29 Ca 0.11 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1pjw n GLY 29 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1pjw s THR 30 N -2.01 0.30 0.03 2.61 -1.32 -1.26 -4.24 115.64 109.74 1pjw s THR 30 Ca 0.00 -0.54 -0.06 0.00 -1.21 0.00 0.00 61.69 59.87 1pjw s THR 30 Cb 0.00 -0.95 -0.05 0.00 -1.51 0.00 0.00 72.50 69.99 1pjw s THR 30 CO 0.00 -0.34 0.29 -0.69 -2.21 0.00 0.00 174.62 171.67 1pjw s VAL 31 N 1.95 5.27 -0.03 5.08 1.01 -0.61 -0.50 120.40 132.57 1pjw s VAL 31 Ca 0.02 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.21 1pjw s VAL 31 Cb -0.17 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 1pjw s VAL 31 CO -0.13 0.31 -0.17 0.68 0.00 0.00 0.00 175.10 175.78 1pjw s VAL 32 N -1.36 1.41 0.03 2.92 -7.23 0.31 -1.56 120.40 114.92 1pjw s VAL 32 Ca 0.30 -0.73 -0.01 0.00 -1.81 0.00 0.00 61.98 59.73 1pjw s VAL 32 Cb -0.13 -1.19 -0.02 0.00 0.56 0.00 0.00 36.38 35.60 1pjw s VAL 32 CO 0.18 0.40 -0.02 -0.51 -0.31 0.00 0.00 175.10 174.84 1pjw s ILE 33 N -0.19 0.14 -0.25 -0.62 2.07 0.46 -1.30 121.20 121.51 1pjw s ILE 33 Ca 0.02 -1.15 0.00 0.00 -1.41 0.00 0.00 60.65 58.11 1pjw s ILE 33 Cb -0.09 -0.63 0.07 0.00 0.13 0.00 0.00 42.46 41.94 1pjw s ILE 33 CO 0.01 -0.63 -0.02 -0.70 -1.91 0.00 0.00 174.94 171.69 1pjw s GLU 34 N -2.16 1.39 -0.02 3.50 2.12 -1.25 0.75 118.70 123.02 1pjw s GLU 34 Ca -0.09 -1.00 0.07 0.00 0.36 0.00 0.00 54.97 54.30 1pjw s GLU 34 Cb -0.05 -2.51 -0.02 0.00 0.26 0.00 0.00 34.13 31.81 1pjw s GLU 34 CO -0.03 -0.68 -0.22 -0.51 -0.54 0.00 0.00 175.26 173.28 1pjw s LEU 35 N 1.44 2.03 -0.09 2.70 1.02 -0.25 -0.21 118.68 125.33 1pjw s LEU 35 Ca -0.02 -0.41 -0.18 0.00 0.02 0.00 0.00 54.13 53.54 1pjw s LEU 35 Cb -0.18 -1.17 -0.05 0.00 0.02 0.00 0.00 46.19 44.81 1pjw s LEU 35 CO -0.09 0.26 0.48 -0.44 0.02 0.00 0.00 176.35 176.58 1pjw s SER 36 N -0.43 6.73 -0.72 2.29 0.01 -0.23 0.05 113.70 121.40 1pjw s SER 36 Ca 0.06 0.87 -0.18 0.00 1.31 0.00 0.00 55.95 58.01 1pjw s SER 36 Cb -0.10 -2.29 0.13 0.00 0.21 0.00 0.00 66.02 63.97 1pjw s SER 36 CO -0.00 0.06 0.84 -0.47 0.41 0.00 0.00 173.24 174.08 1pjw s TYR 37 N 0.27 3.14 -1.15 2.43 5.04 -0.97 -1.17 117.35 124.94 1pjw s TYR 37 Ca 0.26 -1.23 -0.06 0.00 -2.44 0.00 0.00 57.07 53.61 1pjw s TYR 37 Cb -0.16 -4.07 0.26 0.00 0.35 0.00 0.00 41.96 38.34 1pjw s TYR 37 CO 0.11 -1.32 1.65 -1.13 -1.34 0.00 0.00 175.55 173.53 1pjw n SER 38 N 6.07 6.03 -4.25 4.32 3.41 -1.05 -4.15 113.62 124.00 1pjw n SER 38 Ca 0.04 -3.32 -0.32 0.00 -0.26 0.00 0.00 58.87 55.01 1pjw n SER 38 Cb 0.45 -1.34 -0.17 0.00 -0.26 0.00 0.00 64.21 62.89 1pjw n SER 38 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1pjw s GLY 39 N -0.84 1.35 -0.07 5.00 0.00 -1.26 -4.92 107.32 106.58 1pjw s GLY 39 Ca 0.35 -0.97 0.03 0.00 0.00 0.00 0.00 44.72 44.12 1pjw s GLY 39 CO 0.06 -0.37 0.88 1.44 0.00 0.00 0.00 173.10 175.11 1pjw n SER 40 N 3.41 2.33 -0.65 1.64 7.64 -1.26 -3.63 113.62 123.11 1pjw n SER 40 Ca -0.19 -2.25 0.12 0.00 1.01 0.00 0.00 58.87 57.56 1pjw n SER 40 Cb 0.53 -0.55 0.18 0.00 -1.01 0.00 0.00 64.21 63.35 1pjw n SER 40 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1pjw n ASP 41 N 0.14 2.20 0.00 6.43 9.92 -1.26 -5.07 116.55 128.91 1pjw n ASP 41 Ca 0.08 -1.63 0.00 0.00 -0.53 0.00 0.00 54.79 52.71 1pjw n ASP 41 Cb 0.53 0.16 0.00 0.00 -0.64 0.00 0.00 41.12 41.18 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 1.34 -1.56 3.78 0.44 0.00 -1.24 -4.89 105.19 103.07 1pjw n GLY 42 Ca 0.13 -1.53 -0.35 0.00 0.00 0.00 0.00 46.02 44.27 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 3.75 -0.06 1.61 0.04 -1.25 -4.95 135.00 134.14 1pjw s PRO 43 Ca 0.00 1.52 -0.31 0.00 0.04 0.00 0.00 61.00 62.25 1pjw s PRO 43 Cb 0.00 -2.21 0.11 0.00 0.04 0.00 0.00 34.50 32.44 1pjw s PRO 43 CO 0.00 -0.50 1.03 0.00 0.04 0.00 0.00 177.00 177.57 1pjw s LYS 45 N -2.85 4.41 -0.37 0.00 -0.14 -1.26 0.92 119.74 120.46 1pjw s LYS 45 Ca 0.08 1.72 -0.23 0.00 -1.36 0.00 0.00 55.97 56.18 1pjw s LYS 45 Cb -0.01 -3.43 0.01 0.00 -1.68 0.00 0.00 37.83 32.72 1pjw s LYS 45 CO -0.06 -0.32 0.77 0.42 -0.76 0.00 0.00 175.35 175.40 1pjw s ILE 46 N 1.47 4.75 -0.66 2.17 1.01 0.25 -2.15 121.20 128.05 1pjw s ILE 46 Ca 0.58 0.85 -0.27 0.00 0.00 0.00 0.00 60.65 61.80 1pjw s ILE 46 Cb -0.27 -4.20 0.01 0.00 0.01 0.00 0.00 42.46 38.01 1pjw s ILE 46 CO 0.27 -0.43 1.43 -2.16 0.00 0.00 0.00 174.94 174.05 1pjw s PRO 47 N 3.07 3.12 0.13 2.79 0.04 -1.26 -4.60 135.00 138.29 1pjw s PRO 47 Ca 0.31 0.15 0.06 0.00 0.04 0.00 0.00 61.00 61.56 1pjw s PRO 47 Cb -0.13 -4.20 -0.04 0.00 0.04 0.00 0.00 34.50 30.17 1pjw s PRO 47 CO 0.17 -2.19 -0.14 0.42 0.04 0.00 0.00 177.00 175.30 1pjw s ILE 48 N 6.47 1.38 0.03 0.56 1.09 -1.26 -1.68 121.20 127.79 1pjw s ILE 48 Ca 0.47 -1.77 0.04 0.00 -1.10 0.00 0.00 60.65 58.30 1pjw s ILE 48 Cb -0.10 -1.59 -0.02 0.00 -1.06 0.00 0.00 42.46 39.69 1pjw s ILE 48 CO 0.19 -0.43 -0.13 0.54 -0.10 0.00 0.00 174.94 175.01 1pjw s VAL 49 N -2.21 1.04 -0.24 2.92 0.11 -0.12 -5.01 120.40 116.89 1pjw s VAL 49 Ca 0.10 -0.94 0.02 0.00 -2.93 0.00 0.00 61.98 58.23 1pjw s VAL 49 Cb -0.04 -0.95 0.06 0.00 -1.53 0.00 0.00 36.38 33.92 1pjw s VAL 49 CO 0.03 0.01 -0.09 -0.44 -3.33 0.00 0.00 175.10 171.28 1pjw s SER 50 N -1.06 4.00 0.12 3.54 0.01 -1.26 -1.98 113.70 117.07 1pjw s SER 50 Ca 0.01 -1.20 0.02 0.00 1.31 0.00 0.00 55.95 56.09 1pjw s SER 50 Cb -0.08 -1.36 -0.04 0.00 0.21 0.00 0.00 66.02 64.75 1pjw s SER 50 CO 0.01 -0.19 -0.04 0.68 0.41 0.00 0.00 173.24 174.11 1pjw s VAL 51 N 1.26 0.64 1.04 3.43 -7.23 -0.92 0.18 120.40 118.81 1pjw s VAL 51 Ca -0.06 -1.94 -0.13 0.00 -1.81 0.00 0.00 61.98 58.03 1pjw s VAL 51 Cb -0.19 -1.82 0.15 0.00 0.56 0.00 0.00 36.38 35.08 1pjw s VAL 51 CO -0.06 -0.75 0.66 0.00 -0.31 0.00 0.00 175.10 174.64 1pjw n ALA 52 N -0.10 -2.58 -1.64 1.32 0.00 -1.26 0.14 120.51 116.39 1pjw n ALA 52 Ca -0.10 -0.90 -0.43 0.00 0.00 0.00 0.00 53.44 52.02 1pjw n ALA 52 Cb 0.62 -1.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 1pjw n ALA 52 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1pjw s SER 53 N -2.23 5.91 -0.02 0.00 0.01 -1.04 -1.45 113.70 114.87 1pjw s SER 53 Ca 0.62 2.24 -0.00 0.00 1.31 0.00 0.00 55.95 60.12 1pjw s SER 53 Cb -0.21 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.50 1pjw s SER 53 CO 0.64 -1.54 0.00 -0.11 0.41 0.00 0.00 173.24 172.64 1pjw n LEU 54 N 9.78 -1.06 -3.86 2.44 7.94 -1.26 -4.82 117.00 126.15 1pjw n LEU 54 Ca 0.25 -0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.86 1pjw n LEU 54 Cb 0.43 -0.53 -0.13 0.00 0.53 0.00 0.00 43.42 43.72 1pjw n LEU 54 CO 0.67 -0.00 -0.13 0.20 -1.11 0.00 0.00 177.39 177.01 1pjw s ASN 55 N -2.99 4.28 -0.16 1.96 -0.87 -0.53 -4.89 114.94 111.74 1pjw s ASN 55 Ca 0.00 -3.35 0.17 0.00 -1.57 0.00 0.00 52.86 48.11 1pjw s ASN 55 Cb -0.00 -1.49 0.73 0.00 -0.02 0.00 0.00 41.25 40.47 1pjw s ASN 55 CO 0.00 -0.17 1.64 -0.67 -2.57 0.00 0.00 177.10 175.34 1pjw n ASP 56 N 2.64 4.97 0.00 -1.22 -0.08 -1.26 -4.21 116.55 117.38 1pjw n ASP 56 Ca 0.14 -2.65 0.00 0.00 -1.51 0.00 0.00 54.79 50.77 1pjw n ASP 56 Cb 0.35 -0.60 0.00 0.00 2.34 0.00 0.00 41.12 43.20 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 0.79 4.79 -3.80 -0.67 1.56 -1.26 -5.00 117.12 113.53 1pjw n MET 57 Ca 0.26 0.00 -0.26 0.00 -0.27 0.00 0.00 57.70 57.43 1pjw n MET 57 Cb 0.98 -0.36 -0.17 0.00 2.15 0.00 0.00 33.22 35.83 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 -0.71 0.66 0.03 1.12 2.01 -1.26 -5.11 115.64 112.38 1pjw s THR 58 Ca 0.00 -0.31 -0.30 0.00 0.31 0.00 0.00 61.69 61.38 1pjw s THR 58 Cb 0.00 -0.92 -0.06 0.00 0.01 0.00 0.00 72.50 71.54 1pjw s THR 58 CO 0.00 0.09 1.28 -2.16 -0.69 0.00 0.00 174.62 173.14 1pjw s PRO 59 N 1.83 4.36 0.00 4.92 0.04 -1.26 -4.60 135.00 140.29 1pjw s PRO 59 Ca 0.02 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1pjw s PRO 59 Cb -0.15 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 30.96 1pjw s PRO 59 CO -0.07 -0.41 0.00 1.33 0.04 0.00 0.00 177.00 177.89 1pjw n VAL 60 N 4.26 0.00 -2.36 -0.36 0.24 -1.21 -5.04 118.33 113.86 1pjw n VAL 60 Ca 0.11 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 62.04 1pjw n VAL 60 Cb 0.45 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.80 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 -1.44 2.76 0.05 7.63 0.00 0.49 -4.44 107.32 112.36 1pjw s GLY 61 Ca 0.00 0.85 -0.00 0.00 0.00 0.00 0.00 44.72 45.57 1pjw s GLY 61 CO 0.00 1.29 -0.04 0.50 0.00 0.00 0.00 173.10 174.86 1pjw s ARG 62 N -2.65 0.57 0.12 2.90 0.52 -1.25 -4.26 118.95 114.89 1pjw s ARG 62 Ca 0.62 -1.06 -0.19 0.00 -0.52 0.00 0.00 55.73 54.57 1pjw s ARG 62 Cb -0.26 0.09 -0.07 0.00 0.52 0.00 0.00 34.95 35.23 1pjw s ARG 62 CO 0.32 -0.07 0.61 -0.51 0.02 0.00 0.00 175.30 175.67 1pjw s LEU 63 N -2.50 4.48 0.09 2.53 1.43 -1.26 -0.04 118.68 123.40 1pjw s LEU 63 Ca 0.01 1.30 0.26 0.00 -1.03 0.00 0.00 54.13 54.67 1pjw s LEU 63 Cb 0.02 -3.10 0.65 0.00 0.03 0.00 0.00 46.19 43.79 1pjw s LEU 63 CO -0.06 0.20 1.56 0.52 0.23 0.00 0.00 176.35 178.80 1pjw n VAL 64 N 1.40 0.25 -4.00 -1.59 0.31 -0.14 -4.67 118.33 109.89 1pjw n VAL 64 Ca -0.08 -0.16 -0.26 0.00 -0.01 0.00 0.00 64.34 63.83 1pjw n VAL 64 Cb 0.51 -0.20 -0.03 0.00 -0.91 0.00 0.00 33.84 33.20 1pjw n VAL 64 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1pjw s THR 65 N -3.08 1.85 1.32 2.52 -4.23 -1.26 -5.00 115.64 107.76 1pjw s THR 65 Ca 0.10 -1.58 -0.19 0.00 -1.18 0.00 0.00 61.69 58.84 1pjw s THR 65 Cb 0.15 -2.43 0.32 0.00 1.34 0.00 0.00 72.50 71.88 1pjw s THR 65 CO 0.65 0.00 0.79 1.33 -0.54 0.00 0.00 174.62 176.85 1pjw n VAL 66 N -1.57 0.00 -1.51 2.29 0.24 -1.26 -4.81 118.33 111.71 1pjw n VAL 66 Ca -0.03 -0.17 -0.44 0.00 -2.04 0.00 0.00 64.34 61.65 1pjw n VAL 66 Cb 0.64 -0.91 -0.01 0.00 -1.47 0.00 0.00 33.84 32.10 1pjw n VAL 66 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1pjw n ASN 67 N -4.77 0.08 -3.70 -1.34 3.02 -1.26 -4.76 115.26 102.53 1pjw n ASN 67 Ca 0.08 1.08 -0.42 0.00 -0.03 0.00 0.00 54.58 55.29 1pjw n ASN 67 Cb 0.56 -1.17 -0.02 0.00 -0.61 0.00 0.00 39.78 38.54 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 0.71 2.40 -4.46 3.52 -0.04 -1.26 -4.91 135.00 130.95 1pjw n PRO 68 Ca 0.12 -2.35 -0.34 0.00 -0.04 0.00 0.00 63.50 60.90 1pjw n PRO 68 Cb 0.33 -3.17 -0.13 0.00 -0.04 0.00 0.00 33.50 30.50 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 3.82 2.98 -1.45 0.54 -0.12 -1.26 0.87 117.98 123.35 1pjw s PHE 69 Ca 0.51 -0.38 -0.08 0.00 -0.05 0.00 0.00 56.93 56.93 1pjw s PHE 69 Cb 0.14 -1.94 0.03 0.00 -0.63 0.00 0.00 43.02 40.62 1pjw s PHE 69 CO -0.02 -0.08 2.60 0.28 -0.05 0.00 0.00 175.22 177.94 1pjw n VAL 70 N 3.56 4.77 -1.70 -2.49 0.31 0.26 -4.77 118.33 118.27 1pjw n VAL 70 Ca -0.18 -3.57 -0.35 0.00 -0.01 0.00 0.00 64.34 60.23 1pjw n VAL 70 Cb 0.52 -2.33 -0.03 0.00 -0.91 0.00 0.00 33.84 31.09 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 2.74 6.86 -2.50 3.52 0.00 -1.26 -1.94 120.51 127.92 1pjw n ALA 71 Ca 0.68 -3.63 -0.11 0.00 0.00 0.00 0.00 53.44 50.38 1pjw n ALA 71 Cb 0.25 -2.73 -0.09 0.00 0.00 0.00 0.00 19.45 16.88 1pjw n ALA 71 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1pjw s THR 72 N -0.62 0.01 -2.06 0.00 -4.23 -1.26 -5.03 115.64 102.44 1pjw s THR 72 Ca 0.59 -1.80 0.24 0.00 -1.18 0.00 0.00 61.69 59.53 1pjw s THR 72 Cb 0.23 -2.37 0.09 0.00 1.34 0.00 0.00 72.50 71.79 1pjw s THR 72 CO -0.11 -0.03 1.23 -1.54 -0.54 0.00 0.00 174.62 173.63 1pjw n SER 73 N -0.29 1.86 0.00 3.99 3.41 -1.26 -4.14 113.62 117.18 1pjw n SER 73 Ca 0.00 -1.41 0.00 0.00 -0.26 0.00 0.00 58.87 57.20 1pjw n SER 73 Cb 0.65 0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.95 1pjw n SER 73 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1pjw n SER 74 N -0.06 1.83 0.00 4.04 3.41 -1.26 -4.63 113.62 116.95 1pjw n SER 74 Ca 0.11 -1.89 0.03 0.00 -0.26 0.00 0.00 58.87 56.85 1pjw n SER 74 Cb 0.45 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.56 1pjw n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pjw n ALA 75 N -0.45 2.46 0.42 7.33 0.00 -1.26 -3.42 120.51 125.59 1pjw n ALA 75 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.43 1pjw n ALA 75 Cb 0.25 -1.09 0.13 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.59 2.47 -2.61 0.00 3.02 -1.26 -3.76 115.26 112.53 1pjw n ASN 76 Ca 0.04 -2.29 -0.10 0.00 -0.03 0.00 0.00 54.58 52.21 1pjw n ASN 76 Cb 0.02 -0.56 -0.02 0.00 -0.61 0.00 0.00 39.78 38.61 1pjw n ASN 76 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1pjw n SER 77 N 0.19 1.86 -4.56 6.41 7.64 -1.22 -4.42 113.62 119.52 1pjw n SER 77 Ca 0.09 -1.71 -0.18 0.00 1.01 0.00 0.00 58.87 58.08 1pjw n SER 77 Cb 0.54 0.21 -0.07 0.00 -1.01 0.00 0.00 64.21 63.88 1pjw n SER 77 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1pjw s LYS 78 N -2.55 1.84 0.97 1.43 -2.85 -1.26 -2.29 119.74 115.03 1pjw s LYS 78 Ca 0.03 0.12 -0.15 0.00 -1.00 0.00 0.00 55.97 54.96 1pjw s LYS 78 Cb 0.00 -4.90 0.18 0.00 -2.06 0.00 0.00 37.83 31.05 1pjw s LYS 78 CO 0.02 -4.26 1.21 0.14 0.10 0.00 0.00 175.35 172.56 1pjw s VAL 79 N 13.64 1.92 -0.07 1.79 -7.23 0.11 -4.72 120.40 125.84 1pjw s VAL 79 Ca 0.84 0.00 0.03 0.00 -1.81 0.00 0.00 61.98 61.05 1pjw s VAL 79 Cb -0.10 -2.83 0.00 0.00 0.56 0.00 0.00 36.38 34.01 1pjw s VAL 79 CO 0.07 0.00 -0.17 -0.22 -0.31 0.00 0.00 175.10 174.47 1pjw s LEU 80 N -6.08 1.84 0.44 1.32 0.20 -1.26 -1.09 118.68 114.04 1pjw s LEU 80 Ca 0.69 -0.38 0.03 0.00 0.69 0.00 0.00 54.13 55.16 1pjw s LEU 80 Cb -0.09 -1.01 -0.03 0.00 -0.43 0.00 0.00 46.19 44.63 1pjw s LEU 80 CO 0.53 0.10 0.07 -0.69 -0.29 0.00 0.00 176.35 176.07 1pjw s VAL 81 N 0.38 0.97 0.08 1.68 1.01 0.23 -4.96 120.40 119.79 1pjw s VAL 81 Ca -0.12 -2.00 -0.26 0.00 0.00 0.00 0.00 61.98 59.60 1pjw s VAL 81 Cb -0.15 -2.38 0.07 0.00 0.00 0.00 0.00 36.38 33.92 1pjw s VAL 81 CO 0.04 0.00 0.64 -1.83 0.00 0.00 0.00 175.10 173.95 1pjw s GLU 82 N -3.79 1.18 -0.27 2.72 -1.05 -1.26 -0.40 118.70 115.84 1pjw s GLU 82 Ca 0.20 -0.19 -0.25 0.00 -0.15 0.00 0.00 54.97 54.57 1pjw s GLU 82 Cb 0.03 0.55 0.07 0.00 -0.44 0.00 0.00 34.13 34.35 1pjw s GLU 82 CO 0.11 -0.47 0.72 0.00 0.95 0.00 0.00 175.26 176.57 1pjw s MET 83 N -2.78 0.84 -0.86 -4.83 0.23 -0.60 -0.97 119.30 110.33 1pjw s MET 83 Ca -0.03 0.99 -0.09 0.00 -1.03 0.00 0.00 55.69 55.53 1pjw s MET 83 Cb -0.01 0.41 0.22 0.00 -1.53 0.00 0.00 34.83 33.93 1pjw s MET 83 CO -0.04 -0.10 0.78 -1.83 -2.03 0.00 0.00 175.02 171.80 1pjw s GLU 84 N 0.36 3.49 0.98 3.16 -1.05 0.95 -1.57 118.70 125.02 1pjw s GLU 84 Ca -0.00 -2.78 -0.13 0.00 -0.15 0.00 0.00 54.97 51.91 1pjw s GLU 84 Cb -0.05 -4.25 0.18 0.00 -0.44 0.00 0.00 34.13 29.57 1pjw s GLU 84 CO 0.01 -1.25 1.11 -1.25 0.95 0.00 0.00 175.26 174.83 1pjw s PRO 85 N -0.45 0.54 0.84 -4.83 0.04 -1.26 -3.87 135.00 126.01 1pjw s PRO 85 Ca 0.22 0.41 -0.11 0.00 0.04 0.00 0.00 61.00 61.56 1pjw s PRO 85 Cb -0.12 -1.76 0.10 0.00 0.04 0.00 0.00 34.50 32.76 1pjw s PRO 85 CO -0.08 -2.63 1.09 -1.25 0.04 0.00 0.00 177.00 174.17 1pjw s PRO 86 N -5.07 1.68 0.06 0.56 0.04 -1.26 -4.90 135.00 126.10 1pjw s PRO 86 Ca 0.65 0.93 -0.35 0.00 0.04 0.00 0.00 61.00 62.27 1pjw s PRO 86 Cb -0.17 -1.85 -0.15 0.00 0.04 0.00 0.00 34.50 32.37 1pjw s PRO 86 CO 0.56 -1.98 1.57 1.19 0.04 0.00 0.00 177.00 178.38 1pjw n PHE 87 N -3.72 2.04 0.00 0.56 3.72 -1.26 -4.69 117.46 114.10 1pjw n PHE 87 Ca 0.08 0.36 0.00 0.00 -0.05 0.00 0.00 57.45 57.84 1pjw n PHE 87 Cb 0.54 -2.49 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 3.36 2.83 3.50 1.37 0.00 -1.26 -5.03 105.19 109.96 1pjw n GLY 88 Ca 0.19 -1.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.91 -3.98 1.61 5.68 -1.26 -4.88 116.55 112.81 1pjw n ASP 89 Ca 0.00 0.55 -0.09 0.00 -0.50 0.00 0.00 54.79 54.75 1pjw n ASP 89 Cb 0.00 -1.27 -0.10 0.00 -1.14 0.00 0.00 41.12 38.61 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 -1.67 0.25 -0.26 -1.12 1.04 -0.86 -2.50 113.70 108.58 1pjw s SER 90 Ca 0.66 -0.58 -0.08 0.00 0.48 0.00 0.00 55.95 56.42 1pjw s SER 90 Cb -0.31 0.16 -0.03 0.00 0.10 0.00 0.00 66.02 65.94 1pjw s SER 90 CO 0.58 -0.42 0.10 -0.31 0.98 0.00 0.00 173.24 174.17 1pjw s TYR 91 N -2.26 3.12 -0.15 5.02 1.51 0.36 -0.82 117.35 124.14 1pjw s TYR 91 Ca -0.08 -0.32 -0.02 0.00 -1.01 0.00 0.00 57.07 55.64 1pjw s TYR 91 Cb -0.04 -2.28 -0.02 0.00 -0.11 0.00 0.00 41.96 39.51 1pjw s TYR 91 CO -0.04 -0.32 -0.07 -1.50 -1.11 0.00 0.00 175.55 172.51 1pjw s ILE 92 N 1.65 3.58 -0.05 2.71 -1.16 -0.83 -2.17 121.20 124.93 1pjw s ILE 92 Ca 0.06 -0.47 0.04 0.00 -0.51 0.00 0.00 60.65 59.78 1pjw s ILE 92 Cb -0.15 -2.55 -0.02 0.00 0.61 0.00 0.00 42.46 40.34 1pjw s ILE 92 CO 0.05 0.50 -0.17 -0.69 -2.81 0.00 0.00 174.94 171.83 1pjw s VAL 93 N 0.38 2.82 -0.30 4.00 1.01 -0.84 -0.31 120.40 127.16 1pjw s VAL 93 Ca -0.06 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.14 1pjw s VAL 93 Cb -0.15 -2.08 0.08 0.00 0.00 0.00 0.00 36.38 34.23 1pjw s VAL 93 CO 0.04 0.58 -0.01 -0.69 0.00 0.00 0.00 175.10 175.02 1pjw s VAL 94 N -0.62 2.13 0.25 2.92 1.01 -0.35 -0.94 120.40 124.79 1pjw s VAL 94 Ca 0.09 -1.99 -0.17 0.00 0.00 0.00 0.00 61.98 59.91 1pjw s VAL 94 Cb -0.11 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.84 1pjw s VAL 94 CO 0.01 -0.38 0.58 -0.83 0.00 0.00 0.00 175.10 174.48 1pjw s GLY 95 N 1.03 0.13 0.00 4.51 0.00 -0.67 -2.51 107.32 109.81 1pjw s GLY 95 Ca 0.03 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.27 1pjw s GLY 95 CO -0.08 -0.32 0.00 -0.13 0.00 0.00 0.00 173.10 172.57 1pjw n MET 96 N -0.40 0.00 -1.88 2.90 1.56 -1.25 -4.35 117.12 113.70 1pjw n MET 96 Ca -0.05 0.04 -0.03 0.00 -0.27 0.00 0.00 57.70 57.39 1pjw n MET 96 Cb 0.61 -0.47 0.05 0.00 2.15 0.00 0.00 33.22 35.56 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 1.68 1.04 1.24 -5.12 0.00 -1.26 -4.98 105.19 97.78 1pjw n GLY 97 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1pjw n GLY 97 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pjw n ASP 98 N -0.80 0.00 -3.94 1.61 5.68 -1.26 -5.12 116.55 112.73 1pjw n ASP 98 Ca -0.17 0.00 -0.21 0.00 -0.50 0.00 0.00 54.79 53.90 1pjw n ASP 98 Cb 0.73 0.31 -0.16 0.00 -1.14 0.00 0.00 41.12 40.86 1pjw n ASP 98 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1pjw s LYS 99 N -1.70 1.11 0.02 0.11 2.47 -1.26 -5.14 119.74 115.36 1pjw s LYS 99 Ca 0.00 -0.21 -0.00 0.00 -1.56 0.00 0.00 55.97 54.20 1pjw s LYS 99 Cb 0.00 -1.02 -0.02 0.00 -1.46 0.00 0.00 37.83 35.33 1pjw s LYS 99 CO 0.00 -0.04 -0.03 1.14 0.16 0.00 0.00 175.35 176.58 1pjw s GLN 100 N 0.81 0.32 -0.19 4.03 1.03 -1.26 -3.77 119.66 120.63 1pjw s GLN 100 Ca -0.13 -0.64 -0.03 0.00 0.04 0.00 0.00 55.36 54.61 1pjw s GLN 100 Cb -0.15 0.11 -0.01 0.00 0.03 0.00 0.00 33.01 32.99 1pjw s GLN 100 CO 0.01 -0.05 -0.06 0.42 -2.54 0.00 0.00 175.29 173.07 1pjw s ILE 101 N -1.56 3.36 -0.12 3.63 1.09 -1.05 -4.87 121.20 121.69 1pjw s ILE 101 Ca -0.15 -0.52 -0.06 0.00 -1.10 0.00 0.00 60.65 58.82 1pjw s ILE 101 Cb -0.09 -2.49 -0.04 0.00 -1.06 0.00 0.00 42.46 38.77 1pjw s ILE 101 CO -0.01 0.46 0.12 0.54 -0.10 0.00 0.00 174.94 175.95 1pjw s ASN 102 N 1.04 6.21 0.29 3.58 2.20 -1.26 -1.21 114.94 125.78 1pjw s ASN 102 Ca 0.00 0.41 0.11 0.00 -0.94 0.00 0.00 52.86 52.45 1pjw s ASN 102 Cb -0.15 -1.99 -0.05 0.00 -2.00 0.00 0.00 41.25 37.06 1pjw s ASN 102 CO -0.00 0.39 -0.18 -1.00 -2.94 0.00 0.00 177.10 173.37 1pjw s HIS 103 N -0.93 2.28 -0.50 1.54 3.76 0.58 -4.93 115.29 117.09 1pjw s HIS 103 Ca 0.14 -0.38 0.03 0.00 -0.15 0.00 0.00 55.06 54.70 1pjw s HIS 103 Cb -0.12 -1.05 0.13 0.00 1.11 0.00 0.00 32.58 32.65 1pjw s HIS 103 CO 0.03 0.67 0.25 -3.38 -0.85 0.00 0.00 174.74 171.47 1pjw s HIS 104 N -2.56 3.34 -0.29 1.40 -3.43 -1.26 -1.97 115.29 110.52 1pjw s HIS 104 Ca 0.30 -3.04 -0.29 0.00 -0.80 0.00 0.00 55.06 51.24 1pjw s HIS 104 Cb -0.03 -2.92 -0.02 0.00 -1.43 0.00 0.00 32.58 28.17 1pjw s HIS 104 CO 0.15 -0.80 1.77 -0.46 -2.00 0.00 0.00 174.74 173.40 1pjw s TRP 105 N 0.01 1.84 -0.01 0.38 -0.00 0.00 -4.88 118.94 116.29 1pjw s TRP 105 Ca 0.16 0.57 0.03 0.00 -0.00 0.00 0.00 56.10 56.86 1pjw s TRP 105 Cb -0.24 -4.10 -0.01 0.00 -0.00 0.00 0.00 33.47 29.13 1pjw s TRP 105 CO -0.02 -3.06 -0.11 -1.58 -0.00 0.00 0.00 176.95 172.18 1pjw s HIS 106 N 6.47 1.04 -1.03 5.86 2.46 -1.26 -2.03 115.29 126.80 1pjw s HIS 106 Ca 0.79 -0.21 0.18 0.00 0.47 0.00 0.00 55.06 56.28 1pjw s HIS 106 Cb -0.24 -0.68 0.78 0.00 -0.13 0.00 0.00 32.58 32.30 1pjw s HIS 106 CO 0.33 -0.04 1.57 1.17 -2.47 0.00 0.00 174.74 175.30 1pjw n LYS 107 N 2.92 0.02 -3.62 2.88 4.81 -1.26 -4.83 118.16 119.08 1pjw n LYS 107 Ca -0.15 0.19 -0.04 0.00 -0.87 0.00 0.00 58.31 57.44 1pjw n LYS 107 Cb 0.56 -1.50 -0.04 0.00 0.02 0.00 0.00 35.03 34.07 1pjw n LYS 107 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pjw s ALA 108 N -2.97 -2.08 0.16 3.14 0.00 -1.26 -5.16 121.76 113.58 1pjw s ALA 108 Ca 0.09 1.80 0.01 0.00 0.00 0.00 0.00 51.96 53.86 1pjw s ALA 108 Cb 0.12 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.11 1pjw s ALA 108 CO 0.32 -0.31 0.05 0.41 0.00 0.00 0.00 175.76 176.23 1pjw n GLY 109 N 0.45 3.79 2.77 0.00 0.00 -1.26 -5.09 105.19 105.86 1pjw n GLY 109 Ca -0.02 -2.01 -0.03 0.00 0.00 0.00 0.00 46.02 43.96 1pjw n GLY 109 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pjw n SER 110 N -1.82 1.27 0.00 1.61 7.64 -1.26 -5.26 113.62 115.80 1pjw n SER 110 Ca -0.03 -2.25 0.00 0.00 1.01 0.00 0.00 58.87 57.60 1pjw n SER 110 Cb 0.23 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 1pjw n SER 110 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44