#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nwt s PRO 2 N 0.00 4.79 0.12 0.03 0.04 -1.26 -5.06 135.00 133.67 2nwt s PRO 2 Ca 0.00 1.54 -0.21 0.00 0.04 0.00 0.00 61.00 62.38 2nwt s PRO 2 Cb 0.00 -3.28 0.06 0.00 0.04 0.00 0.00 34.50 31.32 2nwt s PRO 2 CO 0.00 0.41 0.52 -1.59 0.04 0.00 0.00 177.00 176.38 2nwt s LYS 3 N -1.03 1.16 0.04 4.56 -2.85 -1.26 -5.14 119.74 115.22 2nwt s LYS 3 Ca 0.43 -0.49 -0.30 0.00 -1.00 0.00 0.00 55.97 54.60 2nwt s LYS 3 Cb -0.27 0.53 -0.04 0.00 -2.06 0.00 0.00 37.83 35.99 2nwt s LYS 3 CO 0.33 -0.47 1.05 0.42 0.10 0.00 0.00 175.35 176.78 2nwt s ILE 4 N -3.48 4.51 0.13 3.79 1.09 -1.26 -5.04 121.20 120.94 2nwt s ILE 4 Ca 0.00 1.85 0.08 0.00 -1.10 0.00 0.00 60.65 61.48 2nwt s ILE 4 Cb 0.00 -4.18 -0.04 0.00 -1.06 0.00 0.00 42.46 37.18 2nwt s ILE 4 CO -0.10 0.17 -0.13 -0.63 -0.10 0.00 0.00 174.94 174.15 2nwt s ILE 5 N 0.84 3.14 -0.05 2.92 1.01 -1.26 -5.11 121.20 122.70 2nwt s ILE 5 Ca 0.53 -1.45 0.06 0.00 0.00 0.00 0.00 60.65 59.79 2nwt s ILE 5 Cb -0.24 -2.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.73 2nwt s ILE 5 CO 0.29 0.05 -0.22 -1.61 0.00 0.00 0.00 174.94 173.46 2nwt s GLU 6 N -2.34 2.45 0.20 2.79 2.02 -1.26 -5.05 118.70 117.51 2nwt s GLU 6 Ca 0.21 -0.84 -0.04 0.00 0.02 0.00 0.00 54.97 54.32 2nwt s GLU 6 Cb -0.10 -2.21 -0.03 0.00 0.10 0.00 0.00 34.13 31.88 2nwt s GLU 6 CO 0.13 0.49 0.19 0.00 0.02 0.00 0.00 175.26 176.09 2nwt s ALA 7 N -0.43 0.79 -0.01 5.21 0.00 -1.26 -0.05 121.76 126.01 2nwt s ALA 7 Ca 0.04 -1.46 0.07 0.00 0.00 0.00 0.00 51.96 50.61 2nwt s ALA 7 Cb -0.12 1.22 -0.03 0.00 0.00 0.00 0.00 23.12 24.20 2nwt s ALA 7 CO 0.01 -0.63 -0.21 0.08 0.00 0.00 0.00 175.76 175.01 2nwt s VAL 8 N -4.10 2.49 -0.35 0.00 1.01 0.18 -4.88 120.40 114.74 2nwt s VAL 8 Ca 0.32 -1.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.12 2nwt s VAL 8 Cb 0.05 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 2nwt s VAL 8 CO 0.09 0.51 0.25 -0.47 0.00 0.00 0.00 175.10 175.48 2nwt s TYR 9 N -0.73 3.23 0.05 5.22 5.04 -1.25 0.09 117.35 129.00 2nwt s TYR 9 Ca 0.12 -0.33 -0.00 0.00 -2.44 0.00 0.00 57.07 54.41 2nwt s TYR 9 Cb -0.10 -2.50 0.01 0.00 0.35 0.00 0.00 41.96 39.72 2nwt s TYR 9 CO 0.01 -0.42 0.07 0.39 -1.34 0.00 0.00 175.55 174.26 2nwt n GLU 10 N 5.11 0.32 -0.29 4.97 1.02 0.26 -4.88 120.64 127.15 2nwt n GLU 10 Ca -0.12 -0.16 -0.05 0.00 -0.02 0.00 0.00 57.16 56.81 2nwt n GLU 10 Cb 0.49 -0.06 -0.04 0.00 -0.02 0.00 0.00 31.44 31.81 2nwt n GLU 10 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2nwt n ASN 11 N -3.02 1.65 0.00 1.62 4.05 -1.26 -2.13 115.26 116.17 2nwt n ASN 11 Ca 0.01 -1.86 0.00 0.00 0.45 0.00 0.00 54.58 53.18 2nwt n ASN 11 Cb 0.04 -0.49 0.00 0.00 1.23 0.00 0.00 39.78 40.56 2nwt n ASN 11 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2nwt n GLY 12 N 3.14 1.17 3.51 8.20 0.00 -1.26 -5.11 105.19 114.83 2nwt n GLY 12 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 3.10 -0.23 1.61 1.01 -0.90 -5.10 120.40 117.88 2nwt s VAL 13 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 60.89 2nwt s VAL 13 Cb 0.00 -2.34 0.03 0.00 0.00 0.00 0.00 36.38 34.07 2nwt s VAL 13 CO 0.00 0.32 -0.11 -0.36 0.00 0.00 0.00 175.10 174.95 2nwt s PHE 14 N -0.98 3.03 -0.26 5.22 0.08 -1.26 0.90 117.98 124.70 2nwt s PHE 14 Ca 0.16 -1.76 -0.03 0.00 0.12 0.00 0.00 56.93 55.43 2nwt s PHE 14 Cb -0.11 -1.99 0.03 0.00 -0.57 0.00 0.00 43.02 40.38 2nwt s PHE 14 CO 0.07 -0.79 -0.03 0.15 -0.10 0.00 0.00 175.22 174.53 2nwt s LYS 15 N 1.26 2.82 1.08 0.44 1.02 0.11 -4.90 119.74 121.58 2nwt s LYS 15 Ca -0.01 -1.00 -0.12 0.00 0.02 0.00 0.00 55.97 54.87 2nwt s LYS 15 Cb -0.16 -3.09 0.24 0.00 -0.52 0.00 0.00 37.83 34.30 2nwt s LYS 15 CO -0.07 -0.44 1.07 -0.35 -0.92 0.00 0.00 175.35 174.63 2nwt n PRO 16 N 4.70 -1.70 -0.03 -1.68 -0.04 -1.26 0.50 135.00 135.48 2nwt n PRO 16 Ca -0.16 -0.45 -0.03 0.00 -0.04 0.00 0.00 63.50 62.82 2nwt n PRO 16 Cb 0.47 -2.25 -0.01 0.00 -0.04 0.00 0.00 33.50 31.67 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 -4.69 0.75 -4.73 1.53 4.32 0.92 -4.72 117.00 110.39 2nwt n LEU 17 Ca 0.07 0.22 -0.42 0.00 -0.02 0.00 0.00 56.01 55.86 2nwt n LEU 17 Cb 0.53 -0.61 -0.03 0.00 -1.62 0.00 0.00 43.42 41.69 2nwt n LEU 17 CO 0.54 -0.44 1.15 -1.10 -1.22 0.00 0.00 177.39 176.32 2nwt s GLN 18 N -1.67 4.26 0.10 3.23 -0.21 -1.21 -4.91 119.66 119.25 2nwt s GLN 18 Ca -0.10 2.29 -0.31 0.00 0.02 0.00 0.00 55.36 57.26 2nwt s GLN 18 Cb 0.01 -3.15 -0.10 0.00 1.00 0.00 0.00 33.01 30.78 2nwt s GLN 18 CO 0.14 -0.50 1.82 0.21 -2.12 0.00 0.00 175.29 174.85 2nwt s LYS 19 N 0.50 4.15 -0.17 2.91 2.47 -1.26 -4.88 119.74 123.45 2nwt s LYS 19 Ca 0.65 2.55 -0.08 0.00 -1.56 0.00 0.00 55.97 57.53 2nwt s LYS 19 Cb -0.42 -3.70 -0.04 0.00 -1.46 0.00 0.00 37.83 32.21 2nwt s LYS 19 CO 0.36 -0.85 0.10 0.14 0.16 0.00 0.00 175.35 175.26 2nwt s VAL 20 N 3.06 5.13 -0.54 4.02 -7.23 -1.26 -5.02 120.40 118.56 2nwt s VAL 20 Ca 0.81 0.08 0.04 0.00 -1.81 0.00 0.00 61.98 61.10 2nwt s VAL 20 Cb -0.44 -3.30 0.14 0.00 0.56 0.00 0.00 36.38 33.34 2nwt s VAL 20 CO 0.36 0.50 0.29 -0.62 -0.31 0.00 0.00 175.10 175.33 2nwt s ASP 21 N -0.04 4.28 0.00 4.85 2.15 -1.26 -5.05 116.67 121.60 2nwt s ASP 21 Ca 0.08 -3.10 0.00 0.00 0.43 0.00 0.00 52.55 49.96 2nwt s ASP 21 Cb -0.12 -1.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.95 2nwt s ASP 21 CO 0.00 -0.21 0.00 0.18 -0.17 0.00 0.00 175.17 174.97 2nwt n LEU 22 N 2.98 0.00 -4.94 -1.34 4.77 -1.26 -5.16 117.00 112.05 2nwt n LEU 22 Ca 0.08 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.82 2nwt n LEU 22 Cb 0.33 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2nwt n LEU 22 CO 0.32 0.00 0.26 -0.54 -1.33 0.00 0.00 177.39 176.10 2nwt s LYS 23 N -0.50 3.34 -0.11 3.23 1.02 -1.26 -5.06 119.74 120.40 2nwt s LYS 23 Ca 0.00 -0.29 -0.22 0.00 0.02 0.00 0.00 55.97 55.49 2nwt s LYS 23 Cb 0.00 -2.57 -0.03 0.00 -0.52 0.00 0.00 37.83 34.71 2nwt s LYS 23 CO 0.00 -0.07 0.64 -1.21 -0.92 0.00 0.00 175.35 173.79 2nwt s GLU 24 N -4.48 4.36 -0.70 1.68 2.02 -1.26 -3.39 118.70 116.93 2nwt s GLU 24 Ca 0.44 0.73 -0.02 0.00 0.02 0.00 0.00 54.97 56.14 2nwt s GLU 24 Cb -0.10 -3.48 -0.03 0.00 0.10 0.00 0.00 34.13 30.63 2nwt s GLU 24 CO 0.38 0.00 0.63 0.41 0.02 0.00 0.00 175.26 176.70 2nwt n GLY 25 N 3.31 -0.88 3.88 -1.39 0.00 -1.26 -5.06 105.19 103.79 2nwt n GLY 25 Ca -0.02 0.36 -0.36 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.53 3.57 -0.46 1.61 -6.30 -1.22 -5.07 118.70 107.30 2nwt s GLU 26 Ca 0.18 -0.05 -0.15 0.00 -2.50 0.00 0.00 54.97 52.45 2nwt s GLU 26 Cb -0.02 -3.13 0.07 0.00 0.00 0.00 0.00 34.13 31.05 2nwt s GLU 26 CO 0.58 0.69 0.37 1.03 0.02 0.00 0.00 175.26 177.96 2nwt s ARG 27 N -1.47 2.93 0.30 4.30 3.00 -1.26 -5.03 118.95 121.72 2nwt s ARG 27 Ca 0.23 -1.34 0.07 0.00 0.00 0.00 0.00 55.73 54.70 2nwt s ARG 27 Cb -0.13 -4.08 -0.06 0.00 0.00 0.00 0.00 34.95 30.68 2nwt s ARG 27 CO 0.12 -1.00 -0.07 0.14 0.00 0.00 0.00 175.30 174.50 2nwt s VAL 28 N 1.62 1.83 -0.02 3.52 -7.23 -1.26 -5.15 120.40 113.71 2nwt s VAL 28 Ca 0.04 -2.15 0.07 0.00 -1.81 0.00 0.00 61.98 58.12 2nwt s VAL 28 Cb -0.24 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 2nwt s VAL 28 CO 0.06 -0.27 -0.21 -0.54 -0.31 0.00 0.00 175.10 173.83 2nwt s LYS 29 N -3.69 1.76 0.00 4.82 1.02 -1.26 -5.12 119.74 117.27 2nwt s LYS 29 Ca 0.30 -0.77 0.03 0.00 0.02 0.00 0.00 55.97 55.56 2nwt s LYS 29 Cb 0.03 -1.69 -0.03 0.00 -0.52 0.00 0.00 37.83 35.61 2nwt s LYS 29 CO 0.13 0.46 -0.07 0.42 -0.92 0.00 0.00 175.35 175.37 2nwt s ILE 30 N -0.48 3.61 0.11 2.17 -1.09 -1.26 -5.11 121.20 119.15 2nwt s ILE 30 Ca 0.08 -0.77 -0.09 0.00 -2.23 0.00 0.00 60.65 57.63 2nwt s ILE 30 Cb -0.08 -2.56 -0.00 0.00 -1.58 0.00 0.00 42.46 38.23 2nwt s ILE 30 CO -0.01 0.40 0.22 -1.59 -1.23 0.00 0.00 174.94 172.74 2nwt s LYS 31 N -1.38 0.93 0.18 2.79 -2.85 -1.26 -5.18 119.74 112.97 2nwt s LYS 31 Ca 0.17 -1.00 0.10 0.00 -1.00 0.00 0.00 55.97 54.24 2nwt s LYS 31 Cb -0.11 0.36 -0.04 0.00 -2.06 0.00 0.00 37.83 35.97 2nwt s LYS 31 CO 0.07 -0.31 -0.22 -0.48 0.10 0.00 0.00 175.35 174.51 2nwt s LEU 32 N -2.88 2.42 0.38 2.77 2.34 -1.26 -5.09 118.68 117.36 2nwt s LEU 32 Ca 0.08 -0.85 -0.26 0.00 0.06 0.00 0.00 54.13 53.15 2nwt s LEU 32 Cb 0.04 -1.06 -0.09 0.00 -0.56 0.00 0.00 46.19 44.53 2nwt s LEU 32 CO -0.09 0.08 1.23 -1.61 -1.06 0.00 0.00 176.35 174.91 2nwt s GLU 33 N -2.63 4.13 0.18 1.48 0.41 -1.26 -5.03 118.70 115.97 2nwt s GLU 33 Ca 0.18 2.01 0.09 0.00 -0.41 0.00 0.00 54.97 56.85 2nwt s GLU 33 Cb -0.08 -2.82 -0.04 0.00 -1.78 0.00 0.00 34.13 29.41 2nwt s GLU 33 CO 0.08 -0.31 -0.13 -0.51 -0.49 0.00 0.00 175.26 173.90 2nwt s LEU 34 N -2.26 2.85 0.07 1.80 1.02 -1.26 -5.14 118.68 115.77 2nwt s LEU 34 Ca 0.54 -0.63 0.08 0.00 0.02 0.00 0.00 54.13 54.15 2nwt s LEU 34 Cb -0.35 -1.56 -0.03 0.00 0.02 0.00 0.00 46.19 44.27 2nwt s LEU 34 CO 0.45 0.11 -0.22 -1.59 0.02 0.00 0.00 176.35 175.13 2nwt s LYS 35 N -2.73 1.31 -0.14 1.70 -2.85 -1.26 -5.13 119.74 110.64 2nwt s LYS 35 Ca 0.23 -1.07 -0.02 0.00 -1.00 0.00 0.00 55.97 54.11 2nwt s LYS 35 Cb -0.09 -1.52 -0.02 0.00 -2.06 0.00 0.00 37.83 34.14 2nwt s LYS 35 CO 0.14 0.37 -0.07 0.54 0.10 0.00 0.00 175.35 176.43 2nwt s VAL 36 N -0.97 3.63 -0.22 1.79 0.11 -1.26 -5.09 120.40 118.40 2nwt s VAL 36 Ca 0.08 -0.46 0.01 0.00 -2.93 0.00 0.00 61.98 58.68 2nwt s VAL 36 Cb -0.09 -2.57 0.05 0.00 -1.53 0.00 0.00 36.38 32.24 2nwt s VAL 36 CO 0.03 0.51 -0.08 -1.83 -3.33 0.00 0.00 175.10 170.40 2nwt s GLU 37 N 0.28 1.81 1.11 1.54 -1.05 -1.26 -5.13 118.70 116.00 2nwt s GLU 37 Ca -0.05 -0.92 -0.16 0.00 -0.15 0.00 0.00 54.97 53.69 2nwt s GLU 37 Cb -0.14 -2.50 0.24 0.00 -0.44 0.00 0.00 34.13 31.29 2nwt s GLU 37 CO 0.04 -0.52 1.09 -1.25 0.95 0.00 0.00 175.26 175.57 2nwt s PRO 38 N 1.39 -0.48 0.24 -4.83 0.04 -1.26 -5.05 135.00 125.06 2nwt s PRO 38 Ca -0.04 0.25 -0.01 0.00 0.04 0.00 0.00 61.00 61.24 2nwt s PRO 38 Cb -0.18 -1.66 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 2nwt s PRO 38 CO -0.07 -3.28 0.44 0.96 0.04 0.00 0.00 177.00 175.09 2nwt s ILE 39 N -2.95 5.16 -0.14 0.56 -4.36 -1.26 -5.06 121.20 113.15 2nwt s ILE 39 Ca 0.68 -0.32 -0.29 0.00 -0.26 0.00 0.00 60.65 60.46 2nwt s ILE 39 Cb -0.15 -3.75 -0.01 0.00 1.25 0.00 0.00 42.46 39.80 2nwt s ILE 39 CO 0.57 -0.25 1.00 -0.62 0.24 0.00 0.00 174.94 175.89 2nwt s ASP 40 N -3.29 7.18 -0.34 4.36 2.15 -1.26 -5.02 116.67 120.46 2nwt s ASP 40 Ca 0.39 1.46 -0.19 0.00 0.43 0.00 0.00 52.55 54.65 2nwt s ASP 40 Cb -0.11 -2.54 -0.00 0.00 -0.30 0.00 0.00 42.92 39.96 2nwt s ASP 40 CO 0.30 -0.51 0.56 -0.76 -0.17 0.00 0.00 175.17 174.59 2nwt s LEU 41 N 2.35 4.27 -0.22 -1.34 1.43 -1.26 -5.03 118.68 118.88 2nwt s LEU 41 Ca 0.46 0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.70 2nwt s LEU 41 Cb -0.17 -2.68 0.05 0.00 0.03 0.00 0.00 46.19 43.42 2nwt s LEU 41 CO 0.14 -0.50 -0.13 -0.83 0.23 0.00 0.00 176.35 175.27 2nwt s GLY 42 N 1.74 1.48 0.13 -3.19 0.00 -1.26 -5.10 107.32 101.11 2nwt s GLY 42 Ca 0.21 -1.48 0.06 0.00 0.00 0.00 0.00 44.72 43.51 2nwt s GLY 42 CO 0.13 0.56 -0.13 -1.83 0.00 0.00 0.00 173.10 171.83 2nwt s GLU 43 N 1.23 1.02 0.46 2.90 -1.05 -1.26 -5.14 118.70 116.87 2nwt s GLU 43 Ca -0.03 -1.27 -0.24 0.00 -0.15 0.00 0.00 54.97 53.28 2nwt s GLU 43 Cb -0.17 -0.85 -0.07 0.00 -0.44 0.00 0.00 34.13 32.60 2nwt s GLU 43 CO -0.08 0.15 1.26 -1.25 0.95 0.00 0.00 175.26 176.29 2nwt s PRO 44 N -2.84 3.67 0.52 -4.83 0.04 -1.26 -5.01 135.00 125.29 2nwt s PRO 44 Ca 0.10 2.01 -0.18 0.00 0.04 0.00 0.00 61.00 62.97 2nwt s PRO 44 Cb -0.04 -2.48 -0.07 0.00 0.04 0.00 0.00 34.50 31.95 2nwt s PRO 44 CO 0.03 -0.69 1.02 0.08 0.04 0.00 0.00 177.00 177.47 2nwt s VAL 45 N -1.39 4.11 0.93 -0.36 1.01 -1.26 -5.05 120.40 118.39 2nwt s VAL 45 Ca 0.63 1.12 -0.14 0.00 0.00 0.00 0.00 61.98 63.59 2nwt s VAL 45 Cb -0.34 -3.53 0.16 0.00 0.00 0.00 0.00 36.38 32.66 2nwt s VAL 45 CO 0.42 -0.47 1.21 -0.44 0.00 0.00 0.00 175.10 175.82 2nwt s SER 46 N -2.59 3.36 -0.32 3.32 0.01 -1.26 -4.99 113.70 111.24 2nwt s SER 46 Ca 0.63 0.66 -0.27 0.00 1.31 0.00 0.00 55.95 58.28 2nwt s SER 46 Cb -0.13 -1.00 0.01 0.00 0.21 0.00 0.00 66.02 65.11 2nwt s SER 46 CO 0.28 -2.61 0.95 -0.69 0.41 0.00 0.00 173.24 171.58 2nwt s VAL 47 N -3.53 4.63 0.17 3.43 1.01 -1.26 -5.03 120.40 119.82 2nwt s VAL 47 Ca 0.67 1.47 0.04 0.00 0.00 0.00 0.00 61.98 64.17 2nwt s VAL 47 Cb -0.10 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 2nwt s VAL 47 CO 0.52 -0.40 0.19 -0.70 0.00 0.00 0.00 175.10 174.72 2nwt s GLU 48 N 3.37 3.09 0.51 2.72 2.56 -1.26 -5.01 118.70 124.68 2nwt s GLU 48 Ca 0.40 -0.80 0.28 0.00 0.00 0.00 0.00 54.97 54.85 2nwt s GLU 48 Cb -0.13 -2.75 1.39 0.00 2.00 0.00 0.00 34.13 34.64 2nwt s GLU 48 CO 0.14 0.49 2.04 0.93 -0.56 0.00 0.00 175.26 178.30 2nwt h GLU 49 N 2.21 0.00 0.00 4.30 5.08 -2.06 0.24 114.58 124.35 2nwt h GLU 49 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2nwt h GLU 49 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2nwt h GLU 49 CO 0.65 0.13 0.00 0.82 -1.00 0.00 0.00 179.01 179.60 2nwt h ILE 50 N 0.00 0.00 -3.24 3.13 5.03 -2.01 -3.41 117.51 117.01 2nwt h ILE 50 Ca -0.00 -0.34 -0.59 0.00 -0.12 0.00 0.00 64.86 63.82 2nwt h ILE 50 Cb 0.40 1.17 -0.07 0.00 -3.03 0.00 0.00 36.82 35.29 2nwt h ILE 50 CO 0.02 0.00 -0.18 -0.54 -0.68 0.00 0.00 178.15 176.77 2nwt s LYS 51 N -3.46 4.22 -0.22 2.37 -0.14 0.07 -5.06 119.74 117.51 2nwt s LYS 51 Ca 0.03 0.41 -0.02 0.00 -1.36 0.00 0.00 55.97 55.03 2nwt s LYS 51 Cb 0.09 -3.37 0.07 0.00 -1.68 0.00 0.00 37.83 32.94 2nwt s LYS 51 CO 0.45 0.32 0.03 0.21 -0.76 0.00 0.00 175.35 175.61 2nwt s LYS 52 N 0.10 0.81 0.05 1.68 2.47 -1.26 -4.78 119.74 118.81 2nwt s LYS 52 Ca 0.24 -0.64 -0.22 0.00 -1.56 0.00 0.00 55.97 53.79 2nwt s LYS 52 Cb -0.15 -2.15 -0.06 0.00 -1.46 0.00 0.00 37.83 34.00 2nwt s LYS 52 CO 0.11 -0.71 0.65 -1.50 0.16 0.00 0.00 175.35 174.06 2nwt s ILE 53 N 1.74 4.75 0.00 5.43 2.07 -1.26 -4.93 121.20 129.00 2nwt s ILE 53 Ca 0.00 1.39 0.00 0.00 -1.41 0.00 0.00 60.65 60.64 2nwt s ILE 53 Cb -0.17 -4.00 0.00 0.00 0.13 0.00 0.00 42.46 38.42 2nwt s ILE 53 CO -0.11 0.45 0.00 -1.14 -1.91 0.00 0.00 174.94 172.23 2nwt n ARG 54 N 2.34 0.00 -2.95 3.50 3.00 -1.26 -4.93 116.66 116.36 2nwt n ARG 54 Ca -0.06 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.62 2nwt n ARG 54 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.97 2nwt n ARG 54 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 2nwt n ASP 55 N -3.22 2.06 -3.67 6.15 5.75 -1.26 -5.15 116.55 117.22 2nwt n ASP 55 Ca 0.00 -2.23 -0.08 0.00 -0.01 0.00 0.00 54.79 52.47 2nwt n ASP 55 Cb 0.00 -0.06 -0.09 0.00 -1.03 0.00 0.00 41.12 39.94 2nwt n ASP 55 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2nwt s GLY 56 N -3.38 -0.44 -0.27 6.12 0.00 -1.26 -5.13 107.32 102.96 2nwt s GLY 56 Ca 0.23 1.79 -0.19 0.00 0.00 0.00 0.00 44.72 46.55 2nwt s GLY 56 CO 0.15 2.12 0.56 -0.51 0.00 0.00 0.00 173.10 175.42 2nwt s THR 57 N 1.86 5.03 0.39 0.90 -4.23 -1.26 -5.06 115.64 113.27 2nwt s THR 57 Ca -0.08 0.93 -0.17 0.00 -1.18 0.00 0.00 61.69 61.19 2nwt s THR 57 Cb -0.09 -3.89 -0.10 0.00 1.34 0.00 0.00 72.50 69.77 2nwt s THR 57 CO -0.15 0.03 0.85 0.26 -0.54 0.00 0.00 174.62 175.07 2nwt s TRP 58 N 2.41 3.36 0.18 3.99 0.51 -1.26 -5.08 118.94 123.04 2nwt s TRP 58 Ca 0.23 1.40 0.10 0.00 -2.12 0.00 0.00 56.10 55.71 2nwt s TRP 58 Cb -0.15 -2.69 -0.04 0.00 -0.81 0.00 0.00 33.47 29.77 2nwt s TRP 58 CO 0.09 -0.05 -0.14 1.41 -0.51 0.00 0.00 176.95 177.75 2nwt s MET 59 N -3.23 1.89 0.00 4.98 -2.45 -1.26 -4.53 119.30 114.69 2nwt s MET 59 Ca 0.58 -1.34 0.00 0.00 -1.25 0.00 0.00 55.69 53.68 2nwt s MET 59 Cb -0.10 -2.07 0.00 0.00 1.25 0.00 0.00 34.83 33.92 2nwt s MET 59 CO 0.18 0.43 0.00 0.45 1.05 0.00 0.00 175.02 177.12 2nwt n SER 60 N 0.15 0.00 -0.32 1.11 2.88 -1.26 -4.81 113.62 111.37 2nwt n SER 60 Ca -0.11 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.51 2nwt n SER 60 Cb 0.55 -0.70 0.36 0.00 -0.75 0.00 0.00 64.21 63.67 2nwt n SER 60 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2nwt n SER 61 N 0.00 0.94 -4.36 -3.46 7.64 -1.26 -4.79 113.62 108.32 2nwt n SER 61 Ca 0.00 -1.69 -0.32 0.00 1.01 0.00 0.00 58.87 57.87 2nwt n SER 61 Cb 0.00 -0.08 -0.15 0.00 -1.01 0.00 0.00 64.21 62.98 2nwt n SER 61 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2nwt s LEU 62 N -1.43 2.41 0.00 -3.43 1.43 -1.26 -5.12 118.68 111.28 2nwt s LEU 62 Ca 0.26 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 52.95 2nwt s LEU 62 Cb 0.13 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 2nwt s LEU 62 CO 0.20 0.28 0.22 -0.70 0.23 0.00 0.00 176.35 176.58 2nwt s GLU 63 N -0.33 3.49 -0.44 1.70 -6.30 -1.26 -5.06 118.70 110.49 2nwt s GLU 63 Ca 0.02 -0.23 0.05 0.00 -2.50 0.00 0.00 54.97 52.31 2nwt s GLU 63 Cb -0.13 -3.08 0.19 0.00 0.00 0.00 0.00 34.13 31.12 2nwt s GLU 63 CO 0.02 0.66 0.50 1.58 0.02 0.00 0.00 175.26 178.04 2nwt n HIS 64 N 0.95 -1.82 -3.90 5.30 -0.00 -1.26 -5.11 115.22 109.37 2nwt n HIS 64 Ca -0.11 -2.70 -0.09 0.00 -0.00 0.00 0.00 57.72 54.82 2nwt n HIS 64 Cb 0.53 0.61 -0.08 0.00 -0.00 0.00 0.00 29.99 31.04 2nwt n HIS 64 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2nwt s HIS 65 N 0.17 0.20 -0.19 1.57 3.76 -1.26 -5.17 115.29 114.37 2nwt s HIS 65 Ca 0.32 -0.58 -0.16 0.00 -0.15 0.00 0.00 55.06 54.50 2nwt s HIS 65 Cb 0.06 -0.12 0.05 0.00 1.11 0.00 0.00 32.58 33.68 2nwt s HIS 65 CO -0.15 -0.46 0.49 -3.38 -0.85 0.00 0.00 174.74 170.39 2nwt s HIS 66 N -3.34 -0.57 -0.68 1.40 -3.43 -1.26 -5.08 115.29 102.34 2nwt s HIS 66 Ca 0.01 1.35 0.05 0.00 -0.80 0.00 0.00 55.06 55.67 2nwt s HIS 66 Cb 0.03 0.21 0.19 0.00 -1.43 0.00 0.00 32.58 31.58 2nwt s HIS 66 CO -0.08 -0.28 0.54 1.58 -2.00 0.00 0.00 174.74 174.51 2nwt n HIS 67 N 3.02 3.15 -3.03 0.38 -0.00 -1.26 -4.95 115.22 112.54 2nwt n HIS 67 Ca -0.15 -4.24 0.05 0.00 -0.00 0.00 0.00 57.72 53.38 2nwt n HIS 67 Cb 0.57 -0.58 0.00 0.00 -0.00 0.00 0.00 29.99 29.98 2nwt n HIS 67 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2nwt s HIS 68 N -1.63 -0.02 -2.00 1.57 5.04 -1.26 -5.39 115.29 111.60 2nwt s HIS 68 Ca 0.28 0.01 0.21 0.00 -1.54 0.00 0.00 55.06 54.03 2nwt s HIS 68 Cb 0.00 0.00 1.26 0.00 0.04 0.00 0.00 32.58 33.89 2nwt s HIS 68 CO -0.14 -0.01 1.64 1.58 -2.34 0.00 0.00 174.74 175.47