#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 4.34 0.58 0.03 0.04 -1.26 -5.00 135.00 133.74 2nwt s PRO 2 Ca 0.00 2.06 -0.18 0.00 0.04 0.00 0.00 61.00 62.93 2nwt s PRO 2 Cb 0.00 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.27 2nwt s PRO 2 CO 0.00 -0.38 1.11 0.15 0.04 0.00 0.00 177.00 177.93 2nwt s LYS 3 N 0.71 3.19 -0.07 4.56 1.02 -1.26 -5.04 119.74 122.85 2nwt s LYS 3 Ca 0.62 1.49 -0.06 0.00 0.02 0.00 0.00 55.97 58.04 2nwt s LYS 3 Cb -0.37 -1.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.91 2nwt s LYS 3 CO 0.33 -0.96 0.17 0.96 -0.92 0.00 0.00 175.35 174.93 2nwt s ILE 4 N -2.02 5.46 0.20 2.17 -0.00 -1.26 -5.11 121.20 120.63 2nwt s ILE 4 Ca 0.70 0.12 0.03 0.00 -0.00 0.00 0.00 60.65 61.50 2nwt s ILE 4 Cb -0.22 -3.46 -0.03 0.00 -0.00 0.00 0.00 42.46 38.74 2nwt s ILE 4 CO 0.32 0.51 0.34 -0.63 -0.00 0.00 0.00 174.94 175.48 2nwt s ILE 5 N -1.14 5.28 -0.02 8.37 1.01 -1.26 -5.11 121.20 128.32 2nwt s ILE 5 Ca 0.20 -0.75 0.06 0.00 0.00 0.00 0.00 60.65 60.16 2nwt s ILE 5 Cb -0.12 -3.79 -0.01 0.00 0.01 0.00 0.00 42.46 38.54 2nwt s ILE 5 CO 0.10 -0.21 -0.20 -1.61 0.00 0.00 0.00 174.94 173.01 2nwt s GLU 6 N -3.57 1.70 0.18 2.79 2.02 -1.26 -5.07 118.70 115.48 2nwt s GLU 6 Ca 0.35 -0.73 0.01 0.00 0.02 0.00 0.00 54.97 54.63 2nwt s GLU 6 Cb -0.10 -1.62 -0.05 0.00 0.10 0.00 0.00 34.13 32.46 2nwt s GLU 6 CO 0.29 0.42 0.02 0.00 0.02 0.00 0.00 175.26 176.01 2nwt s ALA 7 N -0.43 1.36 -0.24 5.21 0.00 -1.26 -0.12 121.76 126.27 2nwt s ALA 7 Ca 0.07 -1.62 -0.00 0.00 0.00 0.00 0.00 51.96 50.41 2nwt s ALA 7 Cb -0.08 0.64 0.03 0.00 0.00 0.00 0.00 23.12 23.71 2nwt s ALA 7 CO -0.00 -0.35 -0.09 0.14 0.00 0.00 0.00 175.76 175.45 2nwt s VAL 8 N -3.70 2.58 0.11 0.00 -7.23 0.20 -4.85 120.40 107.51 2nwt s VAL 8 Ca 0.26 -1.18 -0.31 0.00 -1.81 0.00 0.00 61.98 58.94 2nwt s VAL 8 Cb 0.06 -2.34 -0.10 0.00 0.56 0.00 0.00 36.38 34.56 2nwt s VAL 8 CO 0.05 0.18 1.82 -0.47 -0.31 0.00 0.00 175.10 176.37 2nwt s TYR 9 N 1.26 2.10 -0.14 2.82 5.04 -1.26 -1.44 117.35 125.74 2nwt s TYR 9 Ca -0.02 -0.03 -0.09 0.00 -2.44 0.00 0.00 57.07 54.49 2nwt s TYR 9 Cb -0.17 -4.16 0.04 0.00 0.35 0.00 0.00 41.96 38.02 2nwt s TYR 9 CO -0.06 -4.83 0.34 -1.21 -1.34 0.00 0.00 175.55 168.45 2nwt s GLU 10 N 2.88 0.35 -1.78 4.97 2.02 0.15 -4.92 118.70 122.36 2nwt s GLU 10 Ca 0.81 0.59 0.00 0.00 0.02 0.00 0.00 54.97 56.39 2nwt s GLU 10 Cb -0.45 0.04 0.00 0.00 0.10 0.00 0.00 34.13 33.82 2nwt s GLU 10 CO 0.36 -0.11 0.00 -1.71 0.02 0.00 0.00 175.26 173.82 2nwt n ASN 11 N 3.67 -5.65 0.00 -0.19 5.15 -1.26 -0.68 115.26 116.30 2nwt n ASN 11 Ca -0.19 0.09 0.00 0.00 -0.60 0.00 0.00 54.58 53.87 2nwt n ASN 11 Cb 0.56 -4.75 0.00 0.00 -0.53 0.00 0.00 39.78 35.06 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 -0.89 2.24 3.97 8.20 0.00 -1.26 -5.09 105.19 112.36 2nwt n GLY 12 Ca -0.23 -0.78 -0.21 0.00 0.00 0.00 0.00 46.02 44.80 2nwt n GLY 12 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2nwt s VAL 13 N 0.00 3.85 -0.32 1.61 -7.23 0.14 -5.04 120.40 113.42 2nwt s VAL 13 Ca 0.00 -0.69 -0.22 0.00 -1.81 0.00 0.00 61.98 59.27 2nwt s VAL 13 Cb 0.00 -3.39 -0.00 0.00 0.56 0.00 0.00 36.38 33.55 2nwt s VAL 13 CO 0.00 -0.23 0.71 -0.36 -0.31 0.00 0.00 175.10 174.90 2nwt s PHE 14 N -2.45 3.19 -0.29 2.82 0.08 -1.26 0.30 117.98 120.37 2nwt s PHE 14 Ca 0.48 0.64 -0.03 0.00 0.12 0.00 0.00 56.93 58.15 2nwt s PHE 14 Cb -0.10 -3.13 0.04 0.00 -0.57 0.00 0.00 43.02 39.26 2nwt s PHE 14 CO 0.36 -0.55 0.00 0.15 -0.10 0.00 0.00 175.22 175.08 2nwt s LYS 15 N 2.80 2.65 1.15 0.44 1.02 -0.52 -4.93 119.74 122.35 2nwt s LYS 15 Ca 0.28 -1.12 -0.12 0.00 0.02 0.00 0.00 55.97 55.03 2nwt s LYS 15 Cb -0.14 -3.18 0.28 0.00 -0.52 0.00 0.00 37.83 34.26 2nwt s LYS 15 CO 0.13 -0.54 1.04 -1.25 -0.92 0.00 0.00 175.35 173.80 2nwt s PRO 16 N 1.32 -0.84 0.00 -1.68 0.04 -1.26 0.59 135.00 133.17 2nwt s PRO 16 Ca -0.02 0.96 0.25 0.00 0.04 0.00 0.00 61.00 62.22 2nwt s PRO 16 Cb -0.19 -1.55 0.54 0.00 0.04 0.00 0.00 34.50 33.35 2nwt s PRO 16 CO -0.01 -3.71 1.46 1.28 0.04 0.00 0.00 177.00 176.06 2nwt n LEU 17 N -4.92 2.48 -3.85 -3.56 4.77 0.83 -4.59 117.00 108.16 2nwt n LEU 17 Ca 0.04 -0.89 -0.10 0.00 -0.03 0.00 0.00 56.01 55.03 2nwt n LEU 17 Cb 0.54 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.50 2nwt n LEU 17 CO 0.56 0.45 -0.09 0.00 -1.33 0.00 0.00 177.39 176.98 2nwt s GLN 18 N -1.90 0.75 0.31 3.23 -2.07 -1.26 -5.09 119.66 113.63 2nwt s GLN 18 Ca 0.33 -0.74 -0.24 0.00 -1.82 0.00 0.00 55.36 52.90 2nwt s GLN 18 Cb 0.20 0.31 -0.10 0.00 -1.09 0.00 0.00 33.01 32.34 2nwt s GLN 18 CO 0.31 -0.22 0.89 0.15 -1.32 0.00 0.00 175.29 175.09 2nwt s LYS 19 N -3.00 4.46 -0.02 9.60 1.02 -1.26 -5.05 119.74 125.49 2nwt s LYS 19 Ca -0.02 1.18 0.06 0.00 0.02 0.00 0.00 55.97 57.22 2nwt s LYS 19 Cb 0.01 -2.75 -0.01 0.00 -0.52 0.00 0.00 37.83 34.55 2nwt s LYS 19 CO -0.06 0.27 -0.19 0.08 -0.92 0.00 0.00 175.35 174.53 2nwt s VAL 20 N -1.66 1.54 -0.96 3.17 1.01 -1.26 -5.05 120.40 117.19 2nwt s VAL 20 Ca 0.50 -0.83 -0.15 0.00 0.00 0.00 0.00 61.98 61.49 2nwt s VAL 20 Cb -0.17 -1.28 0.18 0.00 0.00 0.00 0.00 36.38 35.12 2nwt s VAL 20 CO 0.22 0.44 1.05 -0.62 0.00 0.00 0.00 175.10 176.18 2nwt s ASP 21 N -0.44 6.82 0.00 3.32 2.15 -1.26 -4.92 116.67 122.34 2nwt s ASP 21 Ca 0.07 -2.59 0.00 0.00 0.43 0.00 0.00 52.55 50.46 2nwt s ASP 21 Cb -0.08 -2.31 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 2nwt s ASP 21 CO -0.01 -0.76 0.00 0.18 -0.17 0.00 0.00 175.17 174.42 2nwt n LEU 22 N 5.07 0.00 -4.26 -1.34 4.77 -1.26 -5.18 117.00 114.80 2nwt n LEU 22 Ca 0.22 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 56.03 2nwt n LEU 22 Cb 0.46 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.45 2nwt n LEU 22 CO 0.46 0.00 -0.44 -0.75 -1.33 0.00 0.00 177.39 175.33 2nwt s LYS 23 N -0.68 1.09 0.09 3.23 2.20 -1.26 -5.10 119.74 119.31 2nwt s LYS 23 Ca 0.00 -1.35 -0.31 0.00 -0.36 0.00 0.00 55.97 53.95 2nwt s LYS 23 Cb 0.00 -0.89 -0.07 0.00 -1.51 0.00 0.00 37.83 35.36 2nwt s LYS 23 CO 0.00 0.16 1.39 -1.21 -0.36 0.00 0.00 175.35 175.33 2nwt s GLU 24 N -3.08 4.31 0.00 4.03 2.02 -1.26 -2.11 118.70 122.61 2nwt s GLU 24 Ca 0.13 2.05 0.00 0.00 0.02 0.00 0.00 54.97 57.17 2nwt s GLU 24 Cb -0.03 -3.33 0.00 0.00 0.10 0.00 0.00 34.13 30.88 2nwt s GLU 24 CO 0.03 -0.46 0.00 0.41 0.02 0.00 0.00 175.26 175.26 2nwt n GLY 25 N 3.53 0.75 3.76 -1.39 0.00 -1.26 -5.05 105.19 105.52 2nwt n GLY 25 Ca 0.12 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 2nwt n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nwt s GLU 26 N -0.70 4.68 -0.35 1.61 0.41 -0.90 -4.98 118.70 118.46 2nwt s GLU 26 Ca 0.00 1.74 -0.19 0.00 -0.41 0.00 0.00 54.97 56.11 2nwt s GLU 26 Cb 0.00 -3.21 -0.00 0.00 -1.78 0.00 0.00 34.13 29.14 2nwt s GLU 26 CO 0.00 0.26 0.56 1.03 -0.49 0.00 0.00 175.26 176.62 2nwt s ARG 27 N -1.33 3.63 0.09 1.61 3.00 -1.26 -5.02 118.95 119.67 2nwt s ARG 27 Ca 0.44 -0.08 0.08 0.00 0.00 0.00 0.00 55.73 56.17 2nwt s ARG 27 Cb -0.31 -3.81 -0.03 0.00 0.00 0.00 0.00 34.95 30.80 2nwt s ARG 27 CO 0.39 -0.69 -0.21 0.14 0.00 0.00 0.00 175.30 174.93 2nwt s VAL 28 N 2.52 1.76 -0.06 3.52 -7.23 -1.26 -5.13 120.40 114.51 2nwt s VAL 28 Ca 0.21 -1.47 0.02 0.00 -1.81 0.00 0.00 61.98 58.92 2nwt s VAL 28 Cb -0.15 -1.57 -0.03 0.00 0.56 0.00 0.00 36.38 35.19 2nwt s VAL 28 CO 0.14 0.03 -0.09 -0.54 -0.31 0.00 0.00 175.10 174.32 2nwt s LYS 29 N -1.73 2.68 -0.10 4.82 1.02 -1.26 -5.11 119.74 120.06 2nwt s LYS 29 Ca 0.07 -0.59 -0.03 0.00 0.02 0.00 0.00 55.97 55.44 2nwt s LYS 29 Cb -0.10 -2.53 -0.03 0.00 -0.52 0.00 0.00 37.83 34.65 2nwt s LYS 29 CO 0.04 0.65 0.02 0.42 -0.92 0.00 0.00 175.35 175.56 2nwt s ILE 30 N -0.78 4.51 0.05 2.17 -1.09 -1.26 -5.09 121.20 119.71 2nwt s ILE 30 Ca 0.12 -0.17 0.01 0.00 -2.23 0.00 0.00 60.65 58.38 2nwt s ILE 30 Cb -0.11 -2.92 -0.03 0.00 -1.58 0.00 0.00 42.46 37.82 2nwt s ILE 30 CO 0.01 0.59 -0.06 -1.59 -1.23 0.00 0.00 174.94 172.67 2nwt s LYS 31 N -0.77 0.56 -0.13 2.79 0.00 -1.26 -5.15 119.74 115.78 2nwt s LYS 31 Ca 0.12 -0.91 -0.03 0.00 0.00 0.00 0.00 55.97 55.15 2nwt s LYS 31 Cb -0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 37.83 37.56 2nwt s LYS 31 CO 0.02 -0.01 -0.03 -1.17 0.00 0.00 0.00 175.35 174.17 2nwt s LEU 32 N -2.04 3.35 -0.01 2.77 2.96 -1.26 -5.08 118.68 119.37 2nwt s LEU 32 Ca -0.04 -0.04 -0.09 0.00 -0.22 0.00 0.00 54.13 53.73 2nwt s LEU 32 Cb -0.04 -1.79 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 2nwt s LEU 32 CO -0.02 0.24 0.29 -0.70 -1.32 0.00 0.00 176.35 174.83 2nwt s GLU 33 N -0.04 3.65 0.33 1.98 2.56 -1.26 -5.08 118.70 120.84 2nwt s GLU 33 Ca 0.02 0.05 -0.14 0.00 0.00 0.00 0.00 54.97 54.90 2nwt s GLU 33 Cb -0.13 -3.12 0.03 0.00 2.00 0.00 0.00 34.13 32.91 2nwt s GLU 33 CO 0.02 0.67 0.67 -0.51 -0.56 0.00 0.00 175.26 175.56 2nwt s LEU 34 N -1.48 0.16 0.38 2.70 1.43 -1.26 -5.17 118.68 115.44 2nwt s LEU 34 Ca 0.25 -1.04 0.08 0.00 -1.03 0.00 0.00 54.13 52.38 2nwt s LEU 34 Cb -0.14 2.41 -0.02 0.00 0.03 0.00 0.00 46.19 48.47 2nwt s LEU 34 CO 0.13 -1.45 0.39 -0.54 0.23 0.00 0.00 176.35 175.11 2nwt s LYS 35 N -3.10 2.71 0.39 1.70 1.02 -1.26 -5.09 119.74 116.11 2nwt s LYS 35 Ca 0.18 -1.35 -0.27 0.00 0.02 0.00 0.00 55.97 54.55 2nwt s LYS 35 Cb -0.04 -2.52 -0.09 0.00 -0.52 0.00 0.00 37.83 34.66 2nwt s LYS 35 CO 0.11 -0.08 1.32 0.08 -0.92 0.00 0.00 175.35 175.87 2nwt s VAL 36 N -2.36 2.58 0.18 3.17 1.01 -1.26 -4.90 120.40 118.81 2nwt s VAL 36 Ca 0.46 0.54 -0.33 0.00 0.00 0.00 0.00 61.98 62.65 2nwt s VAL 36 Cb -0.06 -3.33 -0.13 0.00 0.00 0.00 0.00 36.38 32.87 2nwt s VAL 36 CO 0.29 0.10 1.68 -0.62 0.00 0.00 0.00 175.10 176.54 2nwt n GLU 37 N 0.31 2.53 -0.45 2.72 1.02 -1.26 -4.93 120.64 120.58 2nwt n GLU 37 Ca 0.03 0.91 -0.28 0.00 -0.02 0.00 0.00 57.16 57.80 2nwt n GLU 37 Cb 0.43 -2.74 0.23 0.00 -0.02 0.00 0.00 31.44 29.34 2nwt n GLU 37 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2nwt n PRO 38 N 3.95 -3.00 -2.61 3.49 -0.02 -1.26 -4.96 135.00 130.59 2nwt n PRO 38 Ca 0.17 -0.87 -0.36 0.00 -2.02 0.00 0.00 63.50 60.41 2nwt n PRO 38 Cb 0.33 -1.86 -0.05 0.00 -0.02 0.00 0.00 33.50 31.90 2nwt n PRO 38 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2nwt s ILE 39 N -2.21 3.87 -0.70 4.25 -4.36 -1.26 -5.00 121.20 115.78 2nwt s ILE 39 Ca 0.60 1.40 -0.16 0.00 -0.26 0.00 0.00 60.65 62.22 2nwt s ILE 39 Cb -0.15 -3.70 0.16 0.00 1.25 0.00 0.00 42.46 40.01 2nwt s ILE 39 CO 0.58 -0.02 0.70 -0.62 0.24 0.00 0.00 174.94 175.82 2nwt s ASP 40 N -1.66 6.45 0.65 4.36 2.15 -1.26 -5.04 116.67 122.31 2nwt s ASP 40 Ca 0.58 -2.09 0.04 0.00 0.43 0.00 0.00 52.55 51.51 2nwt s ASP 40 Cb -0.20 -2.25 0.11 0.00 -0.30 0.00 0.00 42.92 40.28 2nwt s ASP 40 CO 0.25 -0.82 0.89 -1.48 -0.17 0.00 0.00 175.17 173.84 2nwt s LEU 41 N 1.36 3.06 -0.35 -1.34 2.34 -1.26 -5.06 118.68 117.43 2nwt s LEU 41 Ca 0.13 -0.57 -0.13 0.00 0.06 0.00 0.00 54.13 53.61 2nwt s LEU 41 Cb -0.19 -1.86 -0.01 0.00 -0.56 0.00 0.00 46.19 43.57 2nwt s LEU 41 CO -0.02 -1.59 0.26 -0.83 -1.06 0.00 0.00 176.35 173.11 2nwt s GLY 42 N -4.69 1.97 0.24 -3.48 0.00 -1.26 -5.06 107.32 95.03 2nwt s GLY 42 Ca 0.64 -1.42 -0.30 0.00 0.00 0.00 0.00 44.72 43.64 2nwt s GLY 42 CO 0.42 0.82 1.10 -0.54 0.00 0.00 0.00 173.10 174.89 2nwt s GLU 43 N 1.75 4.63 -0.14 2.90 2.02 -1.26 -4.99 118.70 123.60 2nwt s GLU 43 Ca 0.06 1.76 -0.29 0.00 0.02 0.00 0.00 54.97 56.52 2nwt s GLU 43 Cb -0.18 -3.23 -0.03 0.00 0.10 0.00 0.00 34.13 30.79 2nwt s GLU 43 CO 0.11 0.17 1.54 -2.14 0.02 0.00 0.00 175.26 174.96 2nwt s PRO 44 N -0.98 4.05 0.46 0.39 0.02 -1.26 -4.98 135.00 132.70 2nwt s PRO 44 Ca 0.46 1.86 -0.22 0.00 0.02 0.00 0.00 61.00 63.12 2nwt s PRO 44 Cb -0.31 -3.95 -0.08 0.00 0.02 0.00 0.00 34.50 30.19 2nwt s PRO 44 CO 0.38 -0.98 1.13 0.08 -0.33 0.00 0.00 177.00 177.28 2nwt s VAL 45 N 4.34 3.28 0.49 3.83 1.01 -1.26 -5.04 120.40 127.05 2nwt s VAL 45 Ca 0.68 0.93 0.06 0.00 0.00 0.00 0.00 61.98 63.65 2nwt s VAL 45 Cb -0.27 -3.45 0.03 0.00 0.00 0.00 0.00 36.38 32.69 2nwt s VAL 45 CO 0.26 -0.05 0.67 -0.44 0.00 0.00 0.00 175.10 175.55 2nwt s SER 46 N -1.50 5.41 0.07 3.32 0.01 -1.26 -5.12 113.70 114.63 2nwt s SER 46 Ca 0.64 -0.40 0.08 0.00 1.31 0.00 0.00 55.95 57.58 2nwt s SER 46 Cb -0.26 -0.52 -0.04 0.00 0.21 0.00 0.00 66.02 65.42 2nwt s SER 46 CO 0.31 -1.00 -0.17 0.54 0.41 0.00 0.00 173.24 173.33 2nwt s VAL 47 N -2.53 2.86 0.23 3.43 0.11 -1.26 -5.11 120.40 118.13 2nwt s VAL 47 Ca 0.57 -1.31 -0.30 0.00 -2.93 0.00 0.00 61.98 58.01 2nwt s VAL 47 Cb -0.09 -2.26 -0.09 0.00 -1.53 0.00 0.00 36.38 32.42 2nwt s VAL 47 CO 0.36 0.23 1.10 -1.61 -3.33 0.00 0.00 175.10 171.85 2nwt s GLU 48 N -1.76 4.62 0.14 1.54 2.02 -1.26 -4.94 118.70 119.06 2nwt s GLU 48 Ca 0.16 1.76 0.17 0.00 0.02 0.00 0.00 54.97 57.08 2nwt s GLU 48 Cb -0.11 -3.23 -0.07 0.00 0.10 0.00 0.00 34.13 30.82 2nwt s GLU 48 CO 0.08 0.15 1.02 1.05 0.02 0.00 0.00 175.26 177.59 2nwt h GLU 49 N 4.43 0.00 0.00 1.61 9.09 -2.07 -3.35 114.58 124.29 2nwt h GLU 49 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.95 2nwt h GLU 49 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.31 2nwt h GLU 49 CO 0.70 0.34 0.00 0.44 0.05 0.00 0.00 179.01 180.53 2nwt n ILE 50 N -2.98 0.01 -2.05 -1.06 -5.35 -1.26 -4.84 119.36 101.83 2nwt n ILE 50 Ca -0.05 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 62.02 2nwt n ILE 50 Cb 0.79 -0.56 -0.02 0.00 -1.74 0.00 0.00 39.64 38.11 2nwt n ILE 50 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 2nwt s LYS 51 N -2.04 4.30 0.25 6.28 0.00 -1.26 -5.02 119.74 122.26 2nwt s LYS 51 Ca 0.41 2.29 0.11 0.00 0.00 0.00 0.00 55.97 58.77 2nwt s LYS 51 Cb 0.19 -3.05 -0.05 0.00 0.00 0.00 0.00 37.83 34.93 2nwt s LYS 51 CO 0.33 -0.26 -0.18 -1.59 0.00 0.00 0.00 175.35 173.65 2nwt s LYS 52 N -1.86 1.56 0.14 1.78 -2.85 -1.26 -5.06 119.74 112.19 2nwt s LYS 52 Ca 0.50 -1.70 0.00 0.00 -1.00 0.00 0.00 55.97 53.77 2nwt s LYS 52 Cb -0.41 -1.56 0.00 0.00 -2.06 0.00 0.00 37.83 33.80 2nwt s LYS 52 CO 0.55 0.28 0.00 -0.89 0.10 0.00 0.00 175.35 175.39 2nwt n ILE 53 N -0.51 -2.67 -3.85 3.79 5.41 -1.26 -5.12 119.36 115.15 2nwt n ILE 53 Ca -0.06 0.93 0.00 0.00 1.00 0.00 0.00 62.75 64.62 2nwt n ILE 53 Cb 0.60 -1.83 0.00 0.00 -0.71 0.00 0.00 39.64 37.70 2nwt n ILE 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2nwt n ARG 54 N -0.18 0.00 -2.01 0.38 0.63 -1.26 -5.14 116.66 109.08 2nwt n ARG 54 Ca 0.00 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.55 2nwt n ARG 54 Cb 0.00 0.00 0.02 0.00 0.45 0.00 0.00 32.46 32.93 2nwt n ARG 54 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 2nwt s ASP 55 N -0.78 5.73 -0.31 6.15 -4.77 -1.26 -4.99 116.67 116.44 2nwt s ASP 55 Ca 0.00 2.56 -0.11 0.00 -3.30 0.00 0.00 52.55 51.70 2nwt s ASP 55 Cb 0.00 -2.62 0.19 0.00 -1.09 0.00 0.00 42.92 39.40 2nwt s ASP 55 CO 0.00 -1.24 1.09 -0.83 0.70 0.00 0.00 175.17 174.89 2nwt s GLY 56 N -1.11 -1.49 0.15 2.12 0.00 -1.26 -5.14 107.32 100.59 2nwt s GLY 56 Ca 0.67 1.48 -0.31 0.00 0.00 0.00 0.00 44.72 46.56 2nwt s GLY 56 CO 0.42 4.34 1.44 -1.59 0.00 0.00 0.00 173.10 177.72 2nwt s THR 57 N 2.09 3.02 -0.10 0.90 2.01 -1.26 -5.01 115.64 117.29 2nwt s THR 57 Ca 0.16 0.75 0.01 0.00 0.31 0.00 0.00 61.69 62.92 2nwt s THR 57 Cb 0.03 -3.48 -0.02 0.00 0.01 0.00 0.00 72.50 69.04 2nwt s THR 57 CO -0.16 0.07 -0.12 0.86 -0.69 0.00 0.00 174.62 174.58 2nwt s TRP 58 N 0.92 2.82 0.29 4.92 -0.11 -1.26 -5.11 118.94 121.42 2nwt s TRP 58 Ca 0.65 -0.38 -0.20 0.00 1.22 0.00 0.00 56.10 57.39 2nwt s TRP 58 Cb -0.39 -1.78 -0.09 0.00 -1.50 0.00 0.00 33.47 29.71 2nwt s TRP 58 CO 0.32 -0.01 0.80 1.41 -4.62 0.00 0.00 176.95 174.85 2nwt s MET 59 N -0.10 4.25 -0.25 5.86 -2.45 -1.26 -4.99 119.30 120.36 2nwt s MET 59 Ca -0.01 0.94 -0.29 0.00 -1.25 0.00 0.00 55.69 55.08 2nwt s MET 59 Cb -0.14 -2.67 -0.03 0.00 1.25 0.00 0.00 34.83 33.24 2nwt s MET 59 CO 0.03 0.26 1.86 -1.54 1.05 0.00 0.00 175.02 176.69 2nwt s SER 60 N -1.86 5.94 0.00 1.11 1.04 -1.26 -4.84 113.70 113.83 2nwt s SER 60 Ca 0.49 1.61 0.30 0.00 0.48 0.00 0.00 55.95 58.83 2nwt s SER 60 Cb -0.14 -2.52 1.50 0.00 0.10 0.00 0.00 66.02 64.95 2nwt s SER 60 CO 0.20 -1.62 2.04 -1.20 0.98 0.00 0.00 173.24 173.64 2nwt n SER 61 N 9.98 0.06 0.20 7.02 7.64 -1.26 -3.49 113.62 133.77 2nwt n SER 61 Ca 0.23 -0.23 0.09 0.00 1.01 0.00 0.00 58.87 59.98 2nwt n SER 61 Cb 0.46 -0.25 0.17 0.00 -1.01 0.00 0.00 64.21 63.58 2nwt n SER 61 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2nwt h LEU 62 N 0.06 0.00 -8.51 -3.43 5.85 -2.04 -3.43 115.31 103.81 2nwt h LEU 62 Ca 0.00 0.00 -0.52 0.00 0.84 0.00 0.00 57.88 58.20 2nwt h LEU 62 Cb 0.28 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 2nwt h LEU 62 CO 0.00 0.16 1.25 -1.61 -0.34 0.00 0.00 178.44 177.90 2nwt s GLU 63 N -3.18 2.90 0.07 1.25 2.02 -1.23 -4.95 118.70 115.58 2nwt s GLU 63 Ca 0.05 0.50 0.00 0.00 0.02 0.00 0.00 54.97 55.55 2nwt s GLU 63 Cb 0.06 -4.29 0.00 0.00 0.10 0.00 0.00 34.13 30.00 2nwt s GLU 63 CO 0.68 -2.42 0.03 0.72 0.02 0.00 0.00 175.26 174.29 2nwt n HIS 64 N 11.42 -0.66 -3.74 1.61 8.25 -1.26 -5.13 115.22 125.72 2nwt n HIS 64 Ca 0.16 -0.34 -0.12 0.00 -0.26 0.00 0.00 57.72 57.16 2nwt n HIS 64 Cb 0.51 -0.06 -0.11 0.00 1.12 0.00 0.00 29.99 31.45 2nwt n HIS 64 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2nwt s HIS 65 N -0.79 -0.44 0.40 4.41 -3.43 -1.26 -5.16 115.29 109.03 2nwt s HIS 65 Ca 0.02 1.03 -0.11 0.00 -0.80 0.00 0.00 55.06 55.21 2nwt s HIS 65 Cb -0.00 0.16 -0.07 0.00 -1.43 0.00 0.00 32.58 31.24 2nwt s HIS 65 CO 0.01 -0.23 0.77 -1.01 -2.00 0.00 0.00 174.74 172.29 2nwt s HIS 66 N 0.51 3.46 -0.30 0.38 3.76 -1.26 -5.07 115.29 116.78 2nwt s HIS 66 Ca -0.03 1.07 -0.00 0.00 -0.15 0.00 0.00 55.06 55.95 2nwt s HIS 66 Cb -0.04 -2.46 0.09 0.00 1.11 0.00 0.00 32.58 31.28 2nwt s HIS 66 CO -0.03 -0.10 0.07 -3.38 -0.85 0.00 0.00 174.74 170.45 2nwt s HIS 67 N -2.36 1.92 -0.29 1.40 -3.43 -1.26 -5.07 115.29 106.20 2nwt s HIS 67 Ca 0.52 -1.79 -0.16 0.00 -0.80 0.00 0.00 55.06 52.83 2nwt s HIS 67 Cb -0.10 -1.77 0.14 0.00 -1.43 0.00 0.00 32.58 29.42 2nwt s HIS 67 CO 0.31 -0.85 0.94 -1.58 -2.00 0.00 0.00 174.74 171.55 2nwt s HIS 68 N 1.55 -0.67 -0.94 0.38 5.04 -1.26 -5.39 115.29 113.99 2nwt s HIS 68 Ca 0.08 1.29 0.08 0.00 -1.54 0.00 0.00 55.06 54.96 2nwt s HIS 68 Cb -0.18 0.40 0.06 0.00 0.04 0.00 0.00 32.58 32.91 2nwt s HIS 68 CO -0.20 -0.33 0.74 1.58 -2.34 0.00 0.00 174.74 174.18