#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 4.29 0.04 0.03 0.02 -1.26 -5.02 135.00 133.10 2nwt s PRO 2 Ca 0.00 2.17 0.02 0.00 0.02 0.00 0.00 61.00 63.21 2nwt s PRO 2 Cb 0.00 -3.20 -0.02 0.00 0.02 0.00 0.00 34.50 31.29 2nwt s PRO 2 CO 0.00 -0.46 -0.07 0.21 -0.33 0.00 0.00 177.00 176.34 2nwt s LYS 3 N 0.86 0.50 0.40 5.54 2.20 -1.26 -5.14 119.74 122.84 2nwt s LYS 3 Ca 0.65 -0.69 -0.25 0.00 -0.36 0.00 0.00 55.97 55.32 2nwt s LYS 3 Cb -0.39 -0.27 -0.08 0.00 -1.51 0.00 0.00 37.83 35.57 2nwt s LYS 3 CO 0.32 0.05 1.15 0.96 -0.36 0.00 0.00 175.35 177.48 2nwt s ILE 4 N -1.26 3.23 0.02 5.43 -0.00 -1.26 -5.05 121.20 122.30 2nwt s ILE 4 Ca -0.09 1.02 0.01 0.00 -0.00 0.00 0.00 60.65 61.59 2nwt s ILE 4 Cb -0.09 -3.57 -0.04 0.00 -0.00 0.00 0.00 42.46 38.76 2nwt s ILE 4 CO 0.00 0.08 0.07 -0.63 -0.00 0.00 0.00 174.94 174.47 2nwt s ILE 5 N -1.44 4.60 -0.13 8.37 1.01 -1.26 -5.11 121.20 127.24 2nwt s ILE 5 Ca 0.57 -0.54 -0.06 0.00 0.00 0.00 0.00 60.65 60.62 2nwt s ILE 5 Cb -0.30 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 2nwt s ILE 5 CO 0.37 0.28 0.08 -1.61 0.00 0.00 0.00 174.94 174.06 2nwt s GLU 6 N -1.92 3.46 0.06 2.79 8.01 -1.26 -5.02 118.70 124.81 2nwt s GLU 6 Ca 0.24 -0.27 -0.02 0.00 0.01 0.00 0.00 54.97 54.94 2nwt s GLU 6 Cb -0.12 -3.08 -0.04 0.00 -4.31 0.00 0.00 34.13 26.58 2nwt s GLU 6 CO 0.16 0.62 0.00 0.00 0.01 0.00 0.00 175.26 176.05 2nwt s ALA 7 N -0.60 0.44 -0.16 5.21 0.00 -1.26 0.28 121.76 125.67 2nwt s ALA 7 Ca 0.11 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.93 2nwt s ALA 7 Cb -0.12 0.33 0.02 0.00 0.00 0.00 0.00 23.12 23.35 2nwt s ALA 7 CO 0.02 -0.39 -0.19 0.14 0.00 0.00 0.00 175.76 175.34 2nwt s VAL 8 N -3.92 1.91 -0.38 0.00 -7.23 0.17 -4.88 120.40 106.07 2nwt s VAL 8 Ca 0.08 -0.85 -0.29 0.00 -1.81 0.00 0.00 61.98 59.11 2nwt s VAL 8 Cb 0.08 -1.73 0.00 0.00 0.56 0.00 0.00 36.38 35.29 2nwt s VAL 8 CO -0.09 0.52 1.52 -0.47 -0.31 0.00 0.00 175.10 176.26 2nwt s TYR 9 N 1.24 2.24 0.02 2.82 5.04 -1.25 -0.91 117.35 126.55 2nwt s TYR 9 Ca 0.02 0.66 0.03 0.00 -2.44 0.00 0.00 57.07 55.34 2nwt s TYR 9 Cb -0.13 -4.24 -0.01 0.00 0.35 0.00 0.00 41.96 37.92 2nwt s TYR 9 CO -0.10 -2.28 -0.09 -1.21 -1.34 0.00 0.00 175.55 170.54 2nwt s GLU 10 N 5.09 0.62 -1.85 4.97 2.02 0.12 -4.84 118.70 124.82 2nwt s GLU 10 Ca 0.66 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 55.14 2nwt s GLU 10 Cb -0.17 -0.54 0.00 0.00 0.10 0.00 0.00 34.13 33.53 2nwt s GLU 10 CO 0.32 0.13 0.00 -1.71 0.02 0.00 0.00 175.26 174.03 2nwt n ASN 11 N 2.23 -5.22 -0.04 -0.19 5.15 -1.26 -0.07 115.26 115.85 2nwt n ASN 11 Ca -0.17 0.34 -0.01 0.00 -0.60 0.00 0.00 54.58 54.14 2nwt n ASN 11 Cb 0.56 -4.32 -0.00 0.00 -0.53 0.00 0.00 39.78 35.49 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 -0.80 0.43 3.24 8.20 0.00 -1.26 -5.04 105.19 109.97 2nwt n GLY 12 Ca -0.19 -0.91 -0.21 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.01 1.48 -0.35 1.61 1.01 0.90 -5.11 120.40 117.92 2nwt s VAL 13 Ca 0.00 -1.50 -0.17 0.00 0.00 0.00 0.00 61.98 60.32 2nwt s VAL 13 Cb 0.00 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 2nwt s VAL 13 CO 0.00 -0.16 0.43 -0.36 0.00 0.00 0.00 175.10 175.01 2nwt s PHE 14 N -1.34 3.20 -0.32 5.22 0.08 -1.26 0.11 117.98 123.67 2nwt s PHE 14 Ca 0.04 0.06 -0.02 0.00 0.12 0.00 0.00 56.93 57.13 2nwt s PHE 14 Cb -0.09 -2.79 0.06 0.00 -0.57 0.00 0.00 43.02 39.62 2nwt s PHE 14 CO 0.04 -0.49 0.04 0.15 -0.10 0.00 0.00 175.22 174.85 2nwt s LYS 15 N 2.19 2.39 1.14 0.44 1.02 -0.09 -4.91 119.74 121.92 2nwt s LYS 15 Ca 0.15 -1.33 -0.13 0.00 0.02 0.00 0.00 55.97 54.68 2nwt s LYS 15 Cb -0.16 -3.26 0.27 0.00 -0.52 0.00 0.00 37.83 34.16 2nwt s LYS 15 CO 0.12 -0.68 1.04 -1.25 -0.92 0.00 0.00 175.35 173.66 2nwt s PRO 16 N 1.25 -0.71 -0.01 -1.68 0.04 -1.26 0.46 135.00 133.09 2nwt s PRO 16 Ca -0.03 0.80 0.14 0.00 0.04 0.00 0.00 61.00 61.94 2nwt s PRO 16 Cb -0.20 -1.58 -0.19 0.00 0.04 0.00 0.00 34.50 32.57 2nwt s PRO 16 CO -0.01 -3.57 0.41 1.28 0.04 0.00 0.00 177.00 175.14 2nwt n LEU 17 N -4.81 0.24 -4.63 -3.56 4.77 0.14 -4.68 117.00 104.47 2nwt n LEU 17 Ca 0.03 -0.19 -0.34 0.00 -0.03 0.00 0.00 56.01 55.48 2nwt n LEU 17 Cb 0.55 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.53 2nwt n LEU 17 CO 0.57 0.06 -0.32 -1.10 -1.33 0.00 0.00 177.39 175.27 2nwt s GLN 18 N -2.72 3.15 -0.08 3.23 -0.21 -1.25 -5.06 119.66 116.73 2nwt s GLN 18 Ca -0.01 -0.45 -0.30 0.00 0.02 0.00 0.00 55.36 54.62 2nwt s GLN 18 Cb 0.09 -2.81 -0.03 0.00 1.00 0.00 0.00 33.01 31.27 2nwt s GLN 18 CO 0.57 0.58 1.18 0.21 -2.12 0.00 0.00 175.29 175.72 2nwt s LYS 19 N -0.55 4.34 0.03 2.91 2.20 -1.26 -4.97 119.74 122.44 2nwt s LYS 19 Ca 0.09 1.64 0.00 0.00 -0.36 0.00 0.00 55.97 57.34 2nwt s LYS 19 Cb -0.12 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.58 2nwt s LYS 19 CO 0.02 -0.47 0.12 0.08 -0.36 0.00 0.00 175.35 174.75 2nwt s VAL 20 N 2.35 4.92 -0.13 4.02 1.01 -1.26 -5.00 120.40 126.31 2nwt s VAL 20 Ca 0.55 -0.45 0.12 0.00 0.00 0.00 0.00 61.98 62.20 2nwt s VAL 20 Cb -0.23 -3.32 0.21 0.00 0.00 0.00 0.00 36.38 33.04 2nwt s VAL 20 CO 0.20 0.25 1.13 -0.67 0.00 0.00 0.00 175.10 176.02 2nwt n ASP 21 N 0.81 2.39 -2.92 3.32 2.03 -1.26 -5.02 116.55 115.89 2nwt n ASP 21 Ca -0.10 -2.66 -0.13 0.00 0.52 0.00 0.00 54.79 52.42 2nwt n ASP 21 Cb 0.52 -0.28 0.10 0.00 -0.72 0.00 0.00 41.12 40.74 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 -0.94 0.00 -4.82 -2.67 4.77 -1.26 -5.08 117.00 107.00 2nwt n LEU 22 Ca 0.11 -0.57 -0.24 0.00 -0.03 0.00 0.00 56.01 55.28 2nwt n LEU 22 Cb 0.52 -0.45 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 2nwt n LEU 22 CO 0.02 -1.29 -0.07 -0.54 -1.33 0.00 0.00 177.39 174.19 2nwt s LYS 23 N -4.18 2.33 0.32 3.23 3.01 -1.26 -5.09 119.74 118.11 2nwt s LYS 23 Ca 0.32 -1.79 -0.28 0.00 -1.01 0.00 0.00 55.97 53.21 2nwt s LYS 23 Cb -0.02 -2.12 -0.09 0.00 -1.01 0.00 0.00 37.83 34.58 2nwt s LYS 23 CO 0.24 -0.25 1.12 -1.21 0.51 0.00 0.00 175.35 175.76 2nwt s GLU 24 N -4.05 4.44 -0.94 1.68 8.01 -1.26 -3.08 118.70 123.50 2nwt s GLU 24 Ca 0.41 1.79 -0.07 0.00 0.01 0.00 0.00 54.97 57.11 2nwt s GLU 24 Cb 0.00 -2.98 -0.02 0.00 -4.31 0.00 0.00 34.13 26.82 2nwt s GLU 24 CO 0.24 0.03 0.77 0.41 0.01 0.00 0.00 175.26 176.72 2nwt n GLY 25 N 0.92 -1.17 3.49 -1.39 0.00 -1.26 -5.01 105.19 100.77 2nwt n GLY 25 Ca 0.01 0.51 -0.36 0.00 0.00 0.00 0.00 46.02 46.19 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 -4.44 3.72 -0.42 1.61 2.56 -1.18 -5.06 118.70 115.50 2nwt s GLU 26 Ca 0.25 -0.46 -0.29 0.00 0.00 0.00 0.00 54.97 54.47 2nwt s GLU 26 Cb -0.06 -3.26 0.02 0.00 2.00 0.00 0.00 34.13 32.83 2nwt s GLU 26 CO 0.80 -0.05 1.24 0.50 -0.56 0.00 0.00 175.26 177.19 2nwt s ARG 27 N 1.22 3.73 0.10 4.30 6.06 -1.26 -4.98 118.95 128.12 2nwt s ARG 27 Ca 0.04 0.82 0.03 0.00 -2.50 0.00 0.00 55.73 54.13 2nwt s ARG 27 Cb -0.14 -3.93 -0.04 0.00 0.06 0.00 0.00 34.95 30.90 2nwt s ARG 27 CO 0.03 -1.36 -0.10 0.14 -2.50 0.00 0.00 175.30 171.51 2nwt s VAL 28 N 4.68 0.91 0.09 7.11 -7.23 -1.26 -5.15 120.40 119.55 2nwt s VAL 28 Ca 0.53 -1.65 0.07 0.00 -1.81 0.00 0.00 61.98 59.12 2nwt s VAL 28 Cb -0.11 -1.36 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 2nwt s VAL 28 CO 0.29 -0.58 -0.10 -0.54 -0.31 0.00 0.00 175.10 173.86 2nwt s LYS 29 N -2.84 2.15 -0.18 4.82 1.02 -1.26 -5.11 119.74 118.35 2nwt s LYS 29 Ca 0.05 -1.00 -0.07 0.00 0.02 0.00 0.00 55.97 54.98 2nwt s LYS 29 Cb -0.02 -2.31 -0.04 0.00 -0.52 0.00 0.00 37.83 34.94 2nwt s LYS 29 CO -0.00 0.52 0.05 0.42 -0.92 0.00 0.00 175.35 175.41 2nwt s ILE 30 N -1.17 4.64 -0.03 2.17 -1.09 -1.26 -5.08 121.20 119.38 2nwt s ILE 30 Ca 0.20 -0.09 0.02 0.00 -2.23 0.00 0.00 60.65 58.56 2nwt s ILE 30 Cb -0.11 -3.08 0.01 0.00 -1.58 0.00 0.00 42.46 37.70 2nwt s ILE 30 CO 0.12 0.47 -0.08 -0.54 -1.23 0.00 0.00 174.94 173.69 2nwt s LYS 31 N 0.32 0.93 -0.07 2.79 1.02 -1.26 -5.14 119.74 118.34 2nwt s LYS 31 Ca 0.02 -0.26 -0.03 0.00 0.02 0.00 0.00 55.97 55.72 2nwt s LYS 31 Cb -0.13 -0.87 -0.04 0.00 -0.52 0.00 0.00 37.83 36.27 2nwt s LYS 31 CO 0.01 0.06 0.07 -0.48 -0.92 0.00 0.00 175.35 174.10 2nwt s LEU 32 N 0.35 3.96 0.83 3.17 2.34 -1.26 -5.07 118.68 123.00 2nwt s LEU 32 Ca -0.05 0.25 -0.12 0.00 0.06 0.00 0.00 54.13 54.27 2nwt s LEU 32 Cb -0.10 -2.06 0.09 0.00 -0.56 0.00 0.00 46.19 43.57 2nwt s LEU 32 CO 0.01 0.35 1.15 -1.61 -1.06 0.00 0.00 176.35 175.19 2nwt s GLU 33 N -1.22 1.63 0.12 1.48 0.41 -1.26 -5.05 118.70 114.81 2nwt s GLU 33 Ca 0.17 1.52 0.03 0.00 -0.41 0.00 0.00 54.97 56.28 2nwt s GLU 33 Cb -0.12 -1.80 -0.04 0.00 -1.78 0.00 0.00 34.13 30.39 2nwt s GLU 33 CO 0.07 -2.17 -0.08 -0.51 -0.49 0.00 0.00 175.26 172.07 2nwt s LEU 34 N -6.03 2.52 0.44 1.80 1.43 -1.26 -5.16 118.68 112.42 2nwt s LEU 34 Ca 0.68 -1.01 0.04 0.00 -1.03 0.00 0.00 54.13 52.80 2nwt s LEU 34 Cb -0.23 -0.19 0.01 0.00 0.03 0.00 0.00 46.19 45.80 2nwt s LEU 34 CO 0.54 -0.41 0.62 -1.59 0.23 0.00 0.00 176.35 175.74 2nwt s LYS 35 N -3.80 2.91 -0.09 1.70 -2.85 -1.26 -5.11 119.74 111.25 2nwt s LYS 35 Ca 0.14 -0.83 -0.01 0.00 -1.00 0.00 0.00 55.97 54.27 2nwt s LYS 35 Cb 0.04 -2.65 -0.03 0.00 -2.06 0.00 0.00 37.83 33.13 2nwt s LYS 35 CO -0.02 -0.29 -0.02 0.08 0.10 0.00 0.00 175.35 175.20 2nwt s VAL 36 N -2.47 4.09 -0.17 1.79 1.01 -1.26 -5.09 120.40 118.32 2nwt s VAL 36 Ca 0.51 -0.32 -0.28 0.00 0.00 0.00 0.00 61.98 61.88 2nwt s VAL 36 Cb -0.10 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 2nwt s VAL 36 CO 0.35 0.59 0.97 -1.61 0.00 0.00 0.00 175.10 175.40 2nwt s GLU 37 N -0.72 4.33 0.00 2.72 0.41 -1.26 -5.04 118.70 119.14 2nwt s GLU 37 Ca 0.11 1.27 0.00 0.00 -0.41 0.00 0.00 54.97 55.94 2nwt s GLU 37 Cb -0.11 -3.59 0.00 0.00 -1.78 0.00 0.00 34.13 28.65 2nwt s GLU 37 CO 0.02 -0.43 0.00 -2.30 -0.49 0.00 0.00 175.26 172.06 2nwt n PRO 38 N 5.52 0.93 -1.09 0.39 -0.02 -1.26 -5.04 135.00 134.42 2nwt n PRO 38 Ca 0.09 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.27 2nwt n PRO 38 Cb 0.48 0.00 0.15 0.00 -0.02 0.00 0.00 33.50 34.11 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 -0.06 2.51 0.06 4.25 -4.36 -1.26 -5.07 121.20 117.27 2nwt s ILE 39 Ca 0.00 0.17 0.04 0.00 -0.26 0.00 0.00 60.65 60.60 2nwt s ILE 39 Cb 0.00 -2.57 -0.03 0.00 1.25 0.00 0.00 42.46 41.12 2nwt s ILE 39 CO 0.00 -0.22 -0.11 -0.62 0.24 0.00 0.00 174.94 174.23 2nwt s ASP 40 N -3.26 1.32 -0.16 4.36 2.15 -1.26 -5.15 116.67 114.68 2nwt s ASP 40 Ca 0.64 -0.57 -0.08 0.00 0.43 0.00 0.00 52.55 52.97 2nwt s ASP 40 Cb -0.19 -0.02 -0.04 0.00 -0.30 0.00 0.00 42.92 42.37 2nwt s ASP 40 CO 0.58 -0.12 0.13 -0.22 -0.17 0.00 0.00 175.17 175.37 2nwt s LEU 41 N -1.61 4.24 0.35 -1.34 2.96 -1.26 -5.09 118.68 116.94 2nwt s LEU 41 Ca -0.05 0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 54.14 2nwt s LEU 41 Cb -0.10 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 2nwt s LEU 41 CO 0.01 0.30 0.62 -0.83 -1.32 0.00 0.00 176.35 175.14 2nwt s GLY 42 N -0.35 1.73 0.45 7.98 0.00 -1.26 -5.08 107.32 110.80 2nwt s GLY 42 Ca 0.11 -0.55 -0.20 0.00 0.00 0.00 0.00 44.72 44.08 2nwt s GLY 42 CO 0.01 -0.43 0.96 -0.54 0.00 0.00 0.00 173.10 173.11 2nwt s GLU 43 N -3.91 4.14 0.65 2.90 0.41 -1.26 -5.07 118.70 116.56 2nwt s GLU 43 Ca 0.45 1.12 -0.12 0.00 -0.41 0.00 0.00 54.97 56.01 2nwt s GLU 43 Cb -0.10 -2.16 -0.02 0.00 -1.78 0.00 0.00 34.13 30.07 2nwt s GLU 43 CO 0.33 -0.11 1.05 -1.25 -0.49 0.00 0.00 175.26 174.79 2nwt s PRO 44 N -3.32 3.24 0.33 0.39 0.04 -1.26 -5.07 135.00 129.35 2nwt s PRO 44 Ca 0.62 0.92 -0.05 0.00 0.04 0.00 0.00 61.00 62.54 2nwt s PRO 44 Cb -0.10 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 2nwt s PRO 44 CO 0.17 -0.86 0.60 0.08 0.04 0.00 0.00 177.00 177.03 2nwt s VAL 45 N -2.99 4.99 0.69 -0.36 1.01 -1.26 -5.09 120.40 117.39 2nwt s VAL 45 Ca 0.58 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.60 2nwt s VAL 45 Cb -0.13 -3.77 0.09 0.00 0.00 0.00 0.00 36.38 32.58 2nwt s VAL 45 CO 0.51 -0.44 0.96 -0.44 0.00 0.00 0.00 175.10 175.69 2nwt s SER 46 N -3.39 4.62 0.14 3.32 0.01 -1.26 -5.13 113.70 112.01 2nwt s SER 46 Ca 0.45 -0.07 -0.00 0.00 1.31 0.00 0.00 55.95 57.63 2nwt s SER 46 Cb -0.10 -0.48 -0.04 0.00 0.21 0.00 0.00 66.02 65.60 2nwt s SER 46 CO 0.33 -1.67 0.03 0.54 0.41 0.00 0.00 173.24 172.88 2nwt s VAL 47 N -3.10 0.26 -0.13 3.43 0.11 -1.26 -5.12 120.40 114.59 2nwt s VAL 47 Ca 0.63 -1.92 -0.29 0.00 -2.93 0.00 0.00 61.98 57.47 2nwt s VAL 47 Cb -0.08 -2.02 -0.02 0.00 -1.53 0.00 0.00 36.38 32.73 2nwt s VAL 47 CO 0.43 -0.51 1.29 -1.61 -3.33 0.00 0.00 175.10 171.37 2nwt s GLU 48 N -4.00 4.25 0.06 1.54 2.02 -1.26 -4.90 118.70 116.41 2nwt s GLU 48 Ca 0.23 1.72 0.12 0.00 0.02 0.00 0.00 54.97 57.05 2nwt s GLU 48 Cb 0.07 -3.75 -0.18 0.00 0.10 0.00 0.00 34.13 30.38 2nwt s GLU 48 CO 0.01 -0.68 0.98 1.05 0.02 0.00 0.00 175.26 176.65 2nwt h GLU 49 N 8.19 0.00 -0.02 1.61 4.11 -2.07 -3.33 114.58 123.07 2nwt h GLU 49 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 2nwt h GLU 49 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2nwt h GLU 49 CO 0.95 0.64 -0.05 1.51 0.07 0.00 0.00 179.01 182.13 2nwt n ILE 50 N -3.15 0.00 -2.40 -1.06 3.06 -1.26 -4.91 119.36 109.64 2nwt n ILE 50 Ca -0.08 -0.32 -0.42 0.00 -2.50 0.00 0.00 62.75 59.44 2nwt n ILE 50 Cb 0.95 0.84 -0.03 0.00 0.54 0.00 0.00 39.64 41.93 2nwt n ILE 50 CO 0.00 0.00 0.00 -0.75 -2.50 0.00 0.00 176.55 173.30 2nwt s LYS 51 N -2.08 4.47 0.01 9.51 2.47 -1.25 -5.03 119.74 127.84 2nwt s LYS 51 Ca 0.32 1.82 0.07 0.00 -1.56 0.00 0.00 55.97 56.62 2nwt s LYS 51 Cb 0.20 -3.29 -0.02 0.00 -1.46 0.00 0.00 37.83 33.27 2nwt s LYS 51 CO 0.36 -0.15 -0.21 -1.59 0.16 0.00 0.00 175.35 173.92 2nwt s LYS 52 N 0.31 1.61 -0.81 4.03 -2.85 -1.26 -5.09 119.74 115.68 2nwt s LYS 52 Ca 0.55 -0.83 -0.14 0.00 -1.00 0.00 0.00 55.97 54.55 2nwt s LYS 52 Cb -0.31 -1.62 0.21 0.00 -2.06 0.00 0.00 37.83 34.05 2nwt s LYS 52 CO 0.33 0.43 0.76 0.42 0.10 0.00 0.00 175.35 177.40 2nwt s ILE 53 N -0.60 5.56 -0.44 3.79 1.09 -1.26 -5.01 121.20 124.33 2nwt s ILE 53 Ca 0.08 -2.37 -0.24 0.00 -1.10 0.00 0.00 60.65 57.02 2nwt s ILE 53 Cb -0.08 -4.47 0.02 0.00 -1.06 0.00 0.00 42.46 36.87 2nwt s ILE 53 CO 0.00 -1.03 0.81 -0.60 -0.10 0.00 0.00 174.94 174.02 2nwt s ARG 54 N 0.35 3.49 0.32 2.79 3.52 -1.26 -5.03 118.95 123.12 2nwt s ARG 54 Ca 0.17 0.02 0.10 0.00 -0.13 0.00 0.00 55.73 55.89 2nwt s ARG 54 Cb -0.11 -3.92 -0.06 0.00 -1.56 0.00 0.00 34.95 29.30 2nwt s ARG 54 CO -0.08 -1.10 -0.13 0.34 -0.81 0.00 0.00 175.30 173.52 2nwt s ASP 55 N 2.12 3.61 -0.48 -2.12 2.15 -1.26 -5.11 116.67 115.58 2nwt s ASP 55 Ca 0.32 -1.14 -0.16 0.00 0.43 0.00 0.00 52.55 52.00 2nwt s ASP 55 Cb -0.12 -0.32 0.07 0.00 -0.30 0.00 0.00 42.92 42.25 2nwt s ASP 55 CO 0.23 -0.13 0.43 -0.83 -0.17 0.00 0.00 175.17 174.69 2nwt s GLY 56 N -3.56 2.01 -0.03 2.66 0.00 -1.26 -5.04 107.32 102.10 2nwt s GLY 56 Ca 0.31 -2.07 -0.25 0.00 0.00 0.00 0.00 44.72 42.72 2nwt s GLY 56 CO 0.16 1.11 0.77 -1.59 0.00 0.00 0.00 173.10 173.54 2nwt s THR 57 N 1.78 4.93 -0.04 0.90 2.01 -1.26 -5.05 115.64 118.92 2nwt s THR 57 Ca 0.06 1.60 -0.07 0.00 0.31 0.00 0.00 61.69 63.59 2nwt s THR 57 Cb -0.24 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 2nwt s THR 57 CO 0.07 0.26 0.23 0.86 -0.69 0.00 0.00 174.62 175.36 2nwt s TRP 58 N 0.61 3.60 -0.03 4.92 -0.11 -1.26 -5.09 118.94 121.58 2nwt s TRP 58 Ca 0.40 0.58 -0.03 0.00 1.22 0.00 0.00 56.10 58.27 2nwt s TRP 58 Cb -0.19 -1.98 -0.04 0.00 -1.50 0.00 0.00 33.47 29.76 2nwt s TRP 58 CO 0.21 0.67 0.15 0.00 -4.62 0.00 0.00 176.95 173.35 2nwt s MET 59 N -1.45 3.35 -0.53 5.86 0.23 -1.26 -5.05 119.30 120.45 2nwt s MET 59 Ca 0.23 -0.32 -0.28 0.00 -1.03 0.00 0.00 55.69 54.28 2nwt s MET 59 Cb -0.13 -3.06 0.02 0.00 -1.53 0.00 0.00 34.83 30.13 2nwt s MET 59 CO 0.12 0.69 1.30 -1.12 -2.03 0.00 0.00 175.02 173.98 2nwt s SER 60 N -1.69 6.35 0.00 -1.18 0.01 -1.26 -4.83 113.70 111.09 2nwt s SER 60 Ca 0.24 0.36 0.23 0.00 1.31 0.00 0.00 55.95 58.09 2nwt s SER 60 Cb -0.12 -2.55 0.54 0.00 0.21 0.00 0.00 66.02 64.10 2nwt s SER 60 CO 0.14 -1.51 1.45 -1.20 0.41 0.00 0.00 173.24 172.54 2nwt n SER 61 N 8.79 2.65 -4.47 2.44 7.64 -1.26 -4.83 113.62 124.58 2nwt n SER 61 Ca 0.12 -1.86 -0.35 0.00 1.01 0.00 0.00 58.87 57.78 2nwt n SER 61 Cb 0.49 -0.14 -0.12 0.00 -1.01 0.00 0.00 64.21 63.43 2nwt n SER 61 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2nwt s LEU 62 N -1.65 3.40 0.22 -3.43 2.96 -1.26 -5.10 118.68 113.82 2nwt s LEU 62 Ca 0.35 -0.17 -0.09 0.00 -0.22 0.00 0.00 54.13 54.00 2nwt s LEU 62 Cb 0.20 -1.88 -0.07 0.00 0.50 0.00 0.00 46.19 44.95 2nwt s LEU 62 CO 0.30 0.04 0.52 -0.70 -1.32 0.00 0.00 176.35 175.19 2nwt s GLU 63 N 1.17 3.77 -1.37 1.98 2.12 -1.26 -4.98 118.70 120.13 2nwt s GLU 63 Ca 0.04 0.21 -0.13 0.00 0.36 0.00 0.00 54.97 55.44 2nwt s GLU 63 Cb -0.14 -2.68 -0.03 0.00 0.26 0.00 0.00 34.13 31.54 2nwt s GLU 63 CO 0.02 0.33 2.37 0.72 -0.54 0.00 0.00 175.26 178.17 2nwt n HIS 64 N -0.14 2.85 -3.15 5.30 8.25 -1.26 -4.93 115.22 122.14 2nwt n HIS 64 Ca -0.00 -2.77 -0.38 0.00 -0.26 0.00 0.00 57.72 54.31 2nwt n HIS 64 Cb 0.52 -2.36 -0.06 0.00 1.12 0.00 0.00 29.99 29.22 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 3.20 3.78 -0.26 4.41 -3.43 -1.26 -4.43 115.29 117.30 2nwt s HIS 65 Ca 0.54 1.39 -0.00 0.00 -0.80 0.00 0.00 55.06 56.19 2nwt s HIS 65 Cb 0.15 -2.60 -0.00 0.00 -1.43 0.00 0.00 32.58 28.70 2nwt s HIS 65 CO -0.05 0.49 0.24 1.58 -2.00 0.00 0.00 174.74 175.01 2nwt n HIS 66 N 1.35 -1.01 -3.85 0.38 -0.00 -1.26 -5.04 115.22 105.79 2nwt n HIS 66 Ca -0.07 0.38 -0.32 0.00 0.46 0.00 0.00 57.72 58.18 2nwt n HIS 66 Cb 0.50 -2.44 -0.12 0.00 -0.12 0.00 0.00 29.99 27.82 2nwt n HIS 66 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2nwt s HIS 67 N -3.01 3.39 -0.35 1.57 5.04 -1.26 -5.08 115.29 115.59 2nwt s HIS 67 Ca 0.01 -3.08 -0.27 0.00 -1.54 0.00 0.00 55.06 50.18 2nwt s HIS 67 Cb -0.00 -2.94 0.02 0.00 0.04 0.00 0.00 32.58 29.70 2nwt s HIS 67 CO 0.26 -0.72 0.98 -1.58 -2.34 0.00 0.00 174.74 171.33 2nwt s HIS 68 N -0.59 3.10 -2.03 3.88 2.46 -1.26 -5.26 115.29 115.58 2nwt s HIS 68 Ca 0.20 0.92 0.32 0.00 0.47 0.00 0.00 55.06 56.96 2nwt s HIS 68 Cb -0.18 -3.68 1.85 0.00 -0.13 0.00 0.00 32.58 30.44 2nwt s HIS 68 CO -0.05 -0.81 2.20 1.58 -2.47 0.00 0.00 174.74 175.18