#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nwt h PRO 2 N 0.00 0.74 -3.63 3.17 0.11 -2.07 -3.47 132.00 126.85 2nwt h PRO 2 Ca 0.00 -0.50 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 2nwt h PRO 2 Cb 0.00 0.07 -0.13 0.00 0.11 0.00 0.00 31.00 31.05 2nwt h PRO 2 CO 0.00 1.12 -0.24 -1.59 -0.21 0.00 0.00 178.00 177.08 2nwt s LYS 3 N -4.02 0.96 0.00 1.05 -2.85 -1.26 -5.16 119.74 108.47 2nwt s LYS 3 Ca -0.12 -0.86 0.02 0.00 -1.00 0.00 0.00 55.97 54.01 2nwt s LYS 3 Cb 0.08 0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 36.22 2nwt s LYS 3 CO 0.86 -0.34 -0.00 0.96 0.10 0.00 0.00 175.35 176.93 2nwt s ILE 4 N -3.84 4.12 0.16 3.79 -0.00 -1.26 -5.13 121.20 119.04 2nwt s ILE 4 Ca 0.05 -0.62 0.11 0.00 -0.00 0.00 0.00 60.65 60.19 2nwt s ILE 4 Cb 0.03 -2.84 -0.04 0.00 -0.00 0.00 0.00 42.46 39.61 2nwt s ILE 4 CO -0.11 0.37 -0.25 -0.63 -0.00 0.00 0.00 174.94 174.32 2nwt s ILE 5 N -1.09 2.33 -0.13 8.37 1.01 -1.26 -5.14 121.20 125.30 2nwt s ILE 5 Ca 0.20 -1.89 -0.04 0.00 0.00 0.00 0.00 60.65 58.91 2nwt s ILE 5 Cb -0.11 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 2nwt s ILE 5 CO 0.10 -0.02 0.01 -1.61 0.00 0.00 0.00 174.94 173.42 2nwt s GLU 6 N -2.38 3.42 0.15 2.79 8.01 -1.26 -5.04 118.70 124.38 2nwt s GLU 6 Ca 0.18 -0.42 -0.04 0.00 0.01 0.00 0.00 54.97 54.71 2nwt s GLU 6 Cb -0.09 -2.93 -0.03 0.00 -4.31 0.00 0.00 34.13 26.77 2nwt s GLU 6 CO 0.08 0.48 0.14 0.00 0.01 0.00 0.00 175.26 175.97 2nwt s ALA 7 N -0.26 0.62 -0.12 5.21 0.00 -1.26 0.16 121.76 126.11 2nwt s ALA 7 Ca 0.06 -1.31 0.02 0.00 0.00 0.00 0.00 51.96 50.74 2nwt s ALA 7 Cb -0.12 0.91 -0.00 0.00 0.00 0.00 0.00 23.12 23.91 2nwt s ALA 7 CO 0.02 -0.55 -0.20 0.14 0.00 0.00 0.00 175.76 175.17 2nwt s VAL 8 N -4.03 2.32 -0.54 0.00 -7.23 0.16 -4.86 120.40 106.22 2nwt s VAL 8 Ca 0.23 -0.91 -0.22 0.00 -1.81 0.00 0.00 61.98 59.27 2nwt s VAL 8 Cb 0.06 -1.93 0.05 0.00 0.56 0.00 0.00 36.38 35.12 2nwt s VAL 8 CO 0.02 0.54 0.83 -0.47 -0.31 0.00 0.00 175.10 175.71 2nwt s TYR 9 N 0.54 2.88 0.00 2.82 5.04 -1.25 -0.58 117.35 126.80 2nwt s TYR 9 Ca -0.12 -0.26 0.00 0.00 -2.44 0.00 0.00 57.07 54.25 2nwt s TYR 9 Cb -0.17 -3.90 0.00 0.00 0.35 0.00 0.00 41.96 38.25 2nwt s TYR 9 CO 0.04 -1.26 0.00 -0.85 -1.34 0.00 0.00 175.55 172.14 2nwt n GLU 10 N 7.00 0.86 -0.61 4.97 0.28 0.11 -4.87 120.64 128.39 2nwt n GLU 10 Ca -0.02 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.63 2nwt n GLU 10 Cb 0.46 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.26 2nwt n GLU 10 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2nwt n ASN 11 N -2.50 1.57 0.00 -1.84 5.15 -1.26 -0.56 115.26 115.82 2nwt n ASN 11 Ca 0.00 -2.45 0.00 0.00 -0.60 0.00 0.00 54.58 51.53 2nwt n ASN 11 Cb 0.00 -0.71 0.00 0.00 -0.53 0.00 0.00 39.78 38.54 2nwt n ASN 11 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2nwt n GLY 12 N 4.60 0.65 3.46 8.20 0.00 -1.26 -5.08 105.19 115.77 2nwt n GLY 12 Ca 0.39 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.10 2nwt n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nwt s VAL 13 N -2.00 2.91 -0.29 1.61 1.01 0.28 -5.09 120.40 118.83 2nwt s VAL 13 Ca 0.00 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 2nwt s VAL 13 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.22 2nwt s VAL 13 CO 0.00 0.49 0.07 -0.36 0.00 0.00 0.00 175.10 175.31 2nwt s PHE 14 N -0.80 3.13 -0.18 5.22 0.08 -1.26 0.10 117.98 124.27 2nwt s PHE 14 Ca 0.13 -0.92 0.01 0.00 0.12 0.00 0.00 56.93 56.26 2nwt s PHE 14 Cb -0.11 -2.24 0.02 0.00 -0.57 0.00 0.00 43.02 40.12 2nwt s PHE 14 CO 0.02 -0.55 -0.18 0.15 -0.10 0.00 0.00 175.22 174.56 2nwt s LYS 15 N 1.51 2.74 1.07 0.44 1.02 0.25 -4.91 119.74 121.86 2nwt s LYS 15 Ca 0.03 -0.80 -0.17 0.00 0.02 0.00 0.00 55.97 55.05 2nwt s LYS 15 Cb -0.17 -2.48 0.09 0.00 -0.52 0.00 0.00 37.83 34.75 2nwt s LYS 15 CO 0.02 -0.25 0.17 -0.35 -0.92 0.00 0.00 175.35 174.02 2nwt n PRO 16 N 4.64 -1.22 -0.01 -1.68 -0.04 -1.26 0.38 135.00 135.82 2nwt n PRO 16 Ca -0.19 -0.33 -0.01 0.00 -0.04 0.00 0.00 63.50 62.92 2nwt n PRO 16 Cb 0.49 -1.77 -0.00 0.00 -0.04 0.00 0.00 33.50 32.18 2nwt n PRO 16 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2nwt n LEU 17 N -1.69 0.40 -4.77 1.53 4.77 0.12 -4.61 117.00 112.77 2nwt n LEU 17 Ca 0.03 0.06 -0.39 0.00 -0.03 0.00 0.00 56.01 55.67 2nwt n LEU 17 Cb 0.59 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 2nwt n LEU 17 CO 0.52 -0.50 0.85 -1.58 -1.33 0.00 0.00 177.39 175.34 2nwt s GLN 18 N -1.39 4.35 0.63 3.23 0.74 -1.16 -4.95 119.66 121.12 2nwt s GLN 18 Ca -0.04 1.89 -0.18 0.00 0.05 0.00 0.00 55.36 57.08 2nwt s GLN 18 Cb 0.01 -2.95 -0.02 0.00 1.10 0.00 0.00 33.01 31.15 2nwt s GLN 18 CO 0.06 -0.08 1.30 0.15 -0.55 0.00 0.00 175.29 176.17 2nwt s LYS 19 N -1.87 2.64 0.80 1.67 1.02 -1.26 -4.75 119.74 117.98 2nwt s LYS 19 Ca 0.50 2.07 -0.12 0.00 0.02 0.00 0.00 55.97 58.45 2nwt s LYS 19 Cb -0.33 -1.89 0.07 0.00 -0.52 0.00 0.00 37.83 35.16 2nwt s LYS 19 CO 0.42 -1.53 1.12 0.14 -0.92 0.00 0.00 175.35 174.57 2nwt s VAL 20 N -1.39 2.81 0.00 3.17 -7.23 -1.26 -5.00 120.40 111.50 2nwt s VAL 20 Ca 0.81 0.26 0.00 0.00 -1.81 0.00 0.00 61.98 61.25 2nwt s VAL 20 Cb -0.37 -3.12 0.00 0.00 0.56 0.00 0.00 36.38 33.45 2nwt s VAL 20 CO 0.40 -0.35 0.45 -0.67 -0.31 0.00 0.00 175.10 174.63 2nwt n ASP 21 N -3.36 0.00 -1.86 4.85 2.03 -1.26 -5.13 116.55 111.82 2nwt n ASP 21 Ca 0.07 -1.20 0.00 0.00 0.52 0.00 0.00 54.79 54.18 2nwt n ASP 21 Cb 0.58 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 2nwt n ASP 21 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2nwt n LEU 22 N 0.00 0.00 -4.35 -2.67 4.77 -1.26 -5.17 117.00 108.32 2nwt n LEU 22 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 2nwt n LEU 22 Cb 0.54 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.52 2nwt n LEU 22 CO 0.00 0.00 -0.49 -1.59 -1.33 0.00 0.00 177.39 173.98 2nwt s LYS 23 N -1.97 1.33 0.23 3.23 -2.85 -1.26 -5.11 119.74 113.33 2nwt s LYS 23 Ca 0.00 -1.44 -0.30 0.00 -1.00 0.00 0.00 55.97 53.23 2nwt s LYS 23 Cb 0.00 -1.43 -0.10 0.00 -2.06 0.00 0.00 37.83 34.24 2nwt s LYS 23 CO 0.00 0.29 1.42 -1.83 0.10 0.00 0.00 175.35 175.34 2nwt s GLU 24 N -2.79 4.29 0.00 1.78 1.03 -1.26 -2.42 118.70 119.33 2nwt s GLU 24 Ca 0.17 2.25 0.00 0.00 0.03 0.00 0.00 54.97 57.42 2nwt s GLU 24 Cb -0.06 -3.13 0.00 0.00 -0.80 0.00 0.00 34.13 30.13 2nwt s GLU 24 CO 0.07 -0.41 0.00 0.41 -1.33 0.00 0.00 175.26 174.01 2nwt n GLY 25 N 2.41 0.98 3.82 -3.83 0.00 -1.26 -5.09 105.19 102.23 2nwt n GLY 25 Ca 0.07 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 2nwt n GLY 25 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2nwt s GLU 26 N -0.91 4.22 -0.23 1.61 2.56 -1.02 -5.04 118.70 119.90 2nwt s GLU 26 Ca 0.00 0.89 -0.09 0.00 0.00 0.00 0.00 54.97 55.78 2nwt s GLU 26 Cb 0.00 -2.68 -0.04 0.00 2.00 0.00 0.00 34.13 33.41 2nwt s GLU 26 CO 0.00 0.27 0.11 1.03 -0.56 0.00 0.00 175.26 176.11 2nwt s ARG 27 N -2.38 3.94 0.09 4.30 3.00 -1.26 -5.07 118.95 121.57 2nwt s ARG 27 Ca 0.49 -0.34 0.03 0.00 0.00 0.00 0.00 55.73 55.91 2nwt s ARG 27 Cb -0.14 -3.40 -0.04 0.00 0.00 0.00 0.00 34.95 31.37 2nwt s ARG 27 CO 0.20 0.05 -0.09 0.14 0.00 0.00 0.00 175.30 175.60 2nwt s VAL 28 N 1.02 0.83 0.03 3.52 -7.23 -1.26 -5.15 120.40 112.16 2nwt s VAL 28 Ca 0.06 -1.68 0.06 0.00 -1.81 0.00 0.00 61.98 58.62 2nwt s VAL 28 Cb -0.14 -1.38 -0.03 0.00 0.56 0.00 0.00 36.38 35.39 2nwt s VAL 28 CO 0.04 -0.64 -0.16 -0.54 -0.31 0.00 0.00 175.10 173.49 2nwt s LYS 29 N -2.99 2.16 0.03 4.82 1.02 -1.26 -5.13 119.74 118.39 2nwt s LYS 29 Ca 0.06 -0.93 0.06 0.00 0.02 0.00 0.00 55.97 55.18 2nwt s LYS 29 Cb -0.01 -2.24 -0.03 0.00 -0.52 0.00 0.00 37.83 35.03 2nwt s LYS 29 CO -0.01 0.55 -0.17 0.42 -0.92 0.00 0.00 175.35 175.22 2nwt s ILE 30 N -0.93 2.84 -0.18 2.17 -1.09 -1.26 -5.09 121.20 117.66 2nwt s ILE 30 Ca 0.15 -1.11 -0.07 0.00 -2.23 0.00 0.00 60.65 57.39 2nwt s ILE 30 Cb -0.11 -2.18 0.08 0.00 -1.58 0.00 0.00 42.46 38.67 2nwt s ILE 30 CO 0.05 0.38 0.40 -0.75 -1.23 0.00 0.00 174.94 173.79 2nwt s LYS 31 N -1.32 0.33 0.17 2.79 2.20 -1.26 -5.15 119.74 117.49 2nwt s LYS 31 Ca 0.14 0.91 -0.14 0.00 -0.36 0.00 0.00 55.97 56.52 2nwt s LYS 31 Cb -0.11 0.16 -0.07 0.00 -1.51 0.00 0.00 37.83 36.30 2nwt s LYS 31 CO 0.05 -0.22 0.57 -0.48 -0.36 0.00 0.00 175.35 174.91 2nwt s LEU 32 N 2.13 4.31 -0.22 5.43 2.34 -1.26 -5.05 118.68 126.37 2nwt s LEU 32 Ca -0.04 1.09 -0.16 0.00 0.06 0.00 0.00 54.13 55.08 2nwt s LEU 32 Cb -0.11 -3.37 -0.04 0.00 -0.56 0.00 0.00 46.19 42.12 2nwt s LEU 32 CO -0.12 0.07 0.41 -1.61 -1.06 0.00 0.00 176.35 174.04 2nwt s GLU 33 N -2.10 4.14 0.00 1.48 8.01 -1.26 -5.05 118.70 123.93 2nwt s GLU 33 Ca 0.40 0.20 0.00 0.00 0.01 0.00 0.00 54.97 55.58 2nwt s GLU 33 Cb -0.14 -3.57 0.00 0.00 -4.31 0.00 0.00 34.13 26.11 2nwt s GLU 33 CO 0.19 -0.11 0.00 1.28 0.01 0.00 0.00 175.26 176.63 2nwt n LEU 34 N 4.72 0.00 -4.20 1.80 7.99 -1.26 -5.15 117.00 120.90 2nwt n LEU 34 Ca -0.08 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 55.81 2nwt n LEU 34 Cb 0.51 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.72 2nwt n LEU 34 CO 0.40 -0.23 -0.39 -0.75 -1.51 0.00 0.00 177.39 174.91 2nwt s LYS 35 N 0.47 0.91 0.10 3.23 2.20 -1.26 -5.10 119.74 120.29 2nwt s LYS 35 Ca 0.00 -1.38 -0.34 0.00 -0.36 0.00 0.00 55.97 53.89 2nwt s LYS 35 Cb 0.00 -0.32 -0.13 0.00 -1.51 0.00 0.00 37.83 35.87 2nwt s LYS 35 CO 0.00 -0.00 1.66 1.55 -0.36 0.00 0.00 175.35 178.20 2nwt n VAL 36 N -0.10 0.16 -1.99 4.02 3.14 -1.26 -4.85 118.33 117.45 2nwt n VAL 36 Ca -0.11 -0.03 -0.43 0.00 -2.96 0.00 0.00 64.34 60.81 2nwt n VAL 36 Cb 0.61 -1.64 -0.03 0.00 -1.06 0.00 0.00 33.84 31.72 2nwt n VAL 36 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2nwt s GLU 37 N 1.75 3.81 0.79 1.45 2.02 -1.26 -4.99 118.70 122.28 2nwt s GLU 37 Ca 0.82 1.88 -0.10 0.00 0.02 0.00 0.00 54.97 57.60 2nwt s GLU 37 Cb -0.67 -4.08 0.10 0.00 0.10 0.00 0.00 34.13 29.57 2nwt s GLU 37 CO 0.41 -1.29 1.13 -1.25 0.02 0.00 0.00 175.26 174.28 2nwt s PRO 38 N 4.77 1.76 0.22 0.39 0.04 -1.26 -5.11 135.00 135.81 2nwt s PRO 38 Ca 0.77 -0.22 0.03 0.00 0.04 0.00 0.00 61.00 61.63 2nwt s PRO 38 Cb -0.29 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.16 2nwt s PRO 38 CO 0.31 -1.62 -0.01 0.96 0.04 0.00 0.00 177.00 176.69 2nwt s ILE 39 N -3.49 1.00 -0.08 0.56 -4.36 -1.26 -5.15 121.20 108.42 2nwt s ILE 39 Ca 0.64 -2.03 -0.02 0.00 -0.26 0.00 0.00 60.65 58.98 2nwt s ILE 39 Cb -0.09 -2.30 0.03 0.00 1.25 0.00 0.00 42.46 41.35 2nwt s ILE 39 CO 0.48 -0.36 0.02 -0.62 0.24 0.00 0.00 174.94 174.71 2nwt s ASP 40 N -3.29 1.67 -0.13 4.36 2.15 -1.26 -5.12 116.67 115.06 2nwt s ASP 40 Ca 0.27 -0.16 -0.09 0.00 0.43 0.00 0.00 52.55 53.01 2nwt s ASP 40 Cb 0.06 -0.38 0.04 0.00 -0.30 0.00 0.00 42.92 42.34 2nwt s ASP 40 CO 0.08 -0.23 0.32 -1.48 -0.17 0.00 0.00 175.17 173.69 2nwt s LEU 41 N 2.01 0.42 0.00 -1.34 2.34 -1.26 -5.16 118.68 115.69 2nwt s LEU 41 Ca 0.04 0.67 0.00 0.00 0.06 0.00 0.00 54.13 54.90 2nwt s LEU 41 Cb -0.13 1.04 0.00 0.00 -0.56 0.00 0.00 46.19 46.54 2nwt s LEU 41 CO -0.05 -0.15 0.00 0.61 -1.06 0.00 0.00 176.35 175.70 2nwt n GLY 42 N 3.72 1.48 3.39 -3.48 0.00 -1.26 -5.12 105.19 103.92 2nwt n GLY 42 Ca -0.20 -1.87 -0.31 0.00 0.00 0.00 0.00 46.02 43.64 2nwt n GLY 42 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nwt s GLU 43 N 2.67 2.04 0.40 1.61 2.02 -1.26 -5.11 118.70 121.07 2nwt s GLU 43 Ca 0.00 -0.98 -0.26 0.00 0.02 0.00 0.00 54.97 53.75 2nwt s GLU 43 Cb 0.00 -2.10 -0.09 0.00 0.10 0.00 0.00 34.13 32.04 2nwt s GLU 43 CO 0.00 0.54 1.30 -2.14 0.02 0.00 0.00 175.26 174.99 2nwt s PRO 44 N -1.10 4.01 0.29 0.39 0.02 -1.26 -5.01 135.00 132.34 2nwt s PRO 44 Ca 0.12 2.15 -0.20 0.00 0.02 0.00 0.00 61.00 63.09 2nwt s PRO 44 Cb -0.10 -2.78 -0.09 0.00 0.02 0.00 0.00 34.50 31.54 2nwt s PRO 44 CO 0.02 -0.46 0.80 0.54 -0.33 0.00 0.00 177.00 177.57 2nwt s VAL 45 N -1.25 4.49 0.29 3.83 0.11 -1.26 -5.07 120.40 121.54 2nwt s VAL 45 Ca 0.56 1.35 0.00 0.00 -2.93 0.00 0.00 61.98 60.97 2nwt s VAL 45 Cb -0.38 -3.81 -0.04 0.00 -1.53 0.00 0.00 36.38 30.63 2nwt s VAL 45 CO 0.49 0.05 0.48 -0.44 -3.33 0.00 0.00 175.10 172.35 2nwt s SER 46 N -1.84 6.33 -0.03 3.54 0.01 -1.26 -5.11 113.70 115.35 2nwt s SER 46 Ca 0.49 0.40 -0.01 0.00 1.31 0.00 0.00 55.95 58.14 2nwt s SER 46 Cb -0.15 -2.01 0.03 0.00 0.21 0.00 0.00 66.02 64.10 2nwt s SER 46 CO 0.20 -0.19 0.05 -0.69 0.41 0.00 0.00 173.24 173.02 2nwt s VAL 47 N -2.13 -0.05 -0.17 3.43 1.01 -1.26 -5.14 120.40 116.10 2nwt s VAL 47 Ca 0.39 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.55 2nwt s VAL 47 Cb -0.10 -0.10 0.01 0.00 0.00 0.00 0.00 36.38 36.19 2nwt s VAL 47 CO 0.33 0.07 -0.19 -0.70 0.00 0.00 0.00 175.10 174.61 2nwt s GLU 48 N 0.88 3.05 0.21 2.72 2.12 -1.26 -4.98 118.70 121.44 2nwt s GLU 48 Ca -0.07 -0.81 0.19 0.00 0.36 0.00 0.00 54.97 54.63 2nwt s GLU 48 Cb -0.10 -2.56 0.02 0.00 0.26 0.00 0.00 34.13 31.74 2nwt s GLU 48 CO -0.03 -0.12 1.14 0.93 -0.54 0.00 0.00 175.26 176.64 2nwt h GLU 49 N 7.67 0.00 0.00 4.30 5.08 -2.07 -3.34 114.58 126.22 2nwt h GLU 49 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2nwt h GLU 49 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2nwt h GLU 49 CO 0.60 0.20 0.00 -0.89 -1.00 0.00 0.00 179.01 177.92 2nwt n ILE 50 N -2.93 0.52 -2.65 3.13 2.08 -1.26 -4.65 119.36 113.61 2nwt n ILE 50 Ca -0.02 0.13 -0.41 0.00 0.56 0.00 0.00 62.75 63.01 2nwt n ILE 50 Cb 0.68 -1.00 -0.04 0.00 -0.75 0.00 0.00 39.64 38.53 2nwt n ILE 50 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2nwt s LYS 51 N -2.35 4.61 0.14 0.38 2.20 -1.26 -5.04 119.74 118.43 2nwt s LYS 51 Ca 0.09 1.53 0.05 0.00 -0.36 0.00 0.00 55.97 57.29 2nwt s LYS 51 Cb 0.05 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.96 2nwt s LYS 51 CO 0.11 0.07 0.05 -1.59 -0.36 0.00 0.00 175.35 173.63 2nwt s LYS 52 N 0.30 2.65 0.00 4.03 -2.85 -1.26 -5.13 119.74 117.48 2nwt s LYS 52 Ca 0.50 -0.92 0.00 0.00 -1.00 0.00 0.00 55.97 54.55 2nwt s LYS 52 Cb -0.25 -2.54 0.00 0.00 -2.06 0.00 0.00 37.83 32.99 2nwt s LYS 52 CO 0.30 0.50 0.00 0.44 0.10 0.00 0.00 175.35 176.69 2nwt n ILE 53 N 0.03 0.00 -4.12 3.79 -6.64 -1.26 -5.14 119.36 106.01 2nwt n ILE 53 Ca -0.09 0.00 -0.22 0.00 -1.77 0.00 0.00 62.75 60.67 2nwt n ILE 53 Cb 0.54 -0.60 -0.05 0.00 -1.44 0.00 0.00 39.64 38.09 2nwt n ILE 53 CO 0.00 0.00 0.00 -0.60 -1.77 0.00 0.00 176.55 174.18 2nwt s ARG 54 N 2.61 2.79 0.69 6.28 3.52 -1.26 -5.11 118.95 128.47 2nwt s ARG 54 Ca 0.00 -1.15 -0.16 0.00 -0.13 0.00 0.00 55.73 54.30 2nwt s ARG 54 Cb 0.00 -2.48 0.01 0.00 -1.56 0.00 0.00 34.95 30.93 2nwt s ARG 54 CO 0.00 0.37 1.17 -0.51 -0.81 0.00 0.00 175.30 175.52 2nwt s ASP 55 N -3.82 4.66 0.24 -2.12 1.11 -1.26 -5.03 116.67 110.44 2nwt s ASP 55 Ca 0.33 2.23 0.00 0.00 0.18 0.00 0.00 52.55 55.30 2nwt s ASP 55 Cb -0.07 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.30 2nwt s ASP 55 CO 0.24 -1.94 0.42 -0.83 1.18 0.00 0.00 175.17 174.24 2nwt s GLY 56 N -2.16 1.62 0.14 0.21 0.00 -1.26 -5.05 107.32 100.82 2nwt s GLY 56 Ca 0.72 -0.90 -0.31 0.00 0.00 0.00 0.00 44.72 44.24 2nwt s GLY 56 CO 0.42 -0.85 1.40 -1.59 0.00 0.00 0.00 173.10 172.48 2nwt s THR 57 N -1.98 3.18 0.47 0.90 2.01 -1.26 -5.01 115.64 113.95 2nwt s THR 57 Ca 0.38 0.87 0.03 0.00 0.31 0.00 0.00 61.69 63.28 2nwt s THR 57 Cb -0.10 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 2nwt s THR 57 CO 0.30 0.08 0.02 0.86 -0.69 0.00 0.00 174.62 175.19 2nwt s TRP 58 N 0.94 2.11 0.19 4.92 -0.00 -1.26 -5.09 118.94 120.75 2nwt s TRP 58 Ca 0.64 -0.84 -0.31 0.00 -0.00 0.00 0.00 56.10 55.58 2nwt s TRP 58 Cb -0.38 -1.69 -0.11 0.00 -0.00 0.00 0.00 33.47 31.30 2nwt s TRP 58 CO 0.32 0.29 1.59 1.41 -0.00 0.00 0.00 176.95 180.57 2nwt s MET 59 N -3.83 4.19 0.72 5.86 0.00 -1.26 -4.97 119.30 120.02 2nwt s MET 59 Ca 0.18 2.42 -0.15 0.00 0.00 0.00 0.00 55.69 58.14 2nwt s MET 59 Cb 0.05 -3.13 0.04 0.00 0.00 0.00 0.00 34.83 31.78 2nwt s MET 59 CO 0.09 -0.63 1.17 -1.12 0.00 0.00 0.00 175.02 174.54 2nwt s SER 60 N 1.07 4.36 -0.04 1.11 0.01 -1.26 -4.91 113.70 114.04 2nwt s SER 60 Ca 0.70 2.24 0.06 0.00 1.31 0.00 0.00 55.95 60.26 2nwt s SER 60 Cb -0.45 -2.58 0.27 0.00 0.21 0.00 0.00 66.02 63.47 2nwt s SER 60 CO 0.33 -2.15 1.07 -1.20 0.41 0.00 0.00 173.24 171.70 2nwt n SER 61 N -2.76 2.09 -1.04 2.44 7.64 -1.26 -5.02 113.62 115.72 2nwt n SER 61 Ca 0.12 -2.18 0.02 0.00 1.01 0.00 0.00 58.87 57.85 2nwt n SER 61 Cb 0.51 -0.38 -0.01 0.00 -1.01 0.00 0.00 64.21 63.32 2nwt n SER 61 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2nwt n LEU 62 N 0.25 0.00 -0.01 -3.43 4.32 -1.26 -4.49 117.00 112.38 2nwt n LEU 62 Ca 0.09 0.16 0.05 0.00 -0.02 0.00 0.00 56.01 56.30 2nwt n LEU 62 Cb 0.42 -0.45 -0.13 0.00 -1.62 0.00 0.00 43.42 41.63 2nwt n LEU 62 CO 0.09 -1.63 -0.67 -0.62 -1.22 0.00 0.00 177.39 173.34 2nwt n GLU 63 N -2.21 0.65 0.00 3.23 4.71 -1.26 -4.97 120.64 120.78 2nwt n GLU 63 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 57.16 57.10 2nwt n GLU 63 Cb 0.07 -1.60 0.00 0.00 -1.01 0.00 0.00 31.44 28.89 2nwt n GLU 63 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 2nwt n HIS 64 N -2.51 0.00 -1.55 -0.32 -0.00 -1.26 -4.78 115.22 104.80 2nwt n HIS 64 Ca -0.10 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.71 2nwt n HIS 64 Cb 0.73 -0.21 -0.02 0.00 -0.00 0.00 0.00 29.99 30.48 2nwt n HIS 64 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2nwt n HIS 65 N -1.72 -2.68 -3.75 1.57 8.25 -1.26 -4.77 115.22 110.85 2nwt n HIS 65 Ca 0.00 0.83 -0.38 0.00 -0.26 0.00 0.00 57.72 57.92 2nwt n HIS 65 Cb 0.00 -1.51 -0.12 0.00 1.12 0.00 0.00 29.99 29.48 2nwt n HIS 65 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2nwt s HIS 66 N -1.37 3.26 -0.69 4.41 3.76 -1.26 -5.04 115.29 118.35 2nwt s HIS 66 Ca 0.00 -1.42 -0.18 0.00 -0.15 0.00 0.00 55.06 53.31 2nwt s HIS 66 Cb 0.00 -2.28 0.13 0.00 1.11 0.00 0.00 32.58 31.54 2nwt s HIS 66 CO 0.00 -0.73 0.78 -1.58 -0.85 0.00 0.00 174.74 172.36 2nwt s HIS 67 N 1.40 3.15 -1.52 1.40 5.04 -1.26 -4.84 115.29 118.65 2nwt s HIS 67 Ca -0.02 -1.21 0.23 0.00 -1.54 0.00 0.00 55.06 52.53 2nwt s HIS 67 Cb -0.19 -4.03 0.16 0.00 0.04 0.00 0.00 32.58 28.56 2nwt s HIS 67 CO 0.03 -1.28 1.18 -2.39 -2.34 0.00 0.00 174.74 169.94 2nwt n HIS 68 N 5.96 0.00 -1.29 3.88 1.44 -1.26 -5.31 115.22 118.64 2nwt n HIS 68 Ca -0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2nwt n HIS 68 Cb 0.44 -0.06 0.00 0.00 0.12 0.00 0.00 29.99 30.49 2nwt n HIS 68 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14