#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 3.63 -0.08 2.12 0.02 -1.26 -4.97 135.00 134.47 2nwt s PRO 2 Ca 0.00 1.33 -0.26 0.00 0.02 0.00 0.00 61.00 62.10 2nwt s PRO 2 Cb 0.00 -4.05 0.06 0.00 0.02 0.00 0.00 34.50 30.53 2nwt s PRO 2 CO 0.00 -1.49 0.59 0.21 -0.33 0.00 0.00 177.00 175.98 2nwt s LYS 3 N 4.93 0.91 0.03 5.54 2.20 -1.26 -5.16 119.74 126.94 2nwt s LYS 3 Ca 0.69 0.27 0.07 0.00 -0.36 0.00 0.00 55.97 56.64 2nwt s LYS 3 Cb -0.20 0.43 -0.03 0.00 -1.51 0.00 0.00 37.83 36.52 2nwt s LYS 3 CO 0.31 -0.25 -0.18 0.96 -0.36 0.00 0.00 175.35 175.82 2nwt s ILE 4 N -0.95 2.75 0.18 5.43 -0.00 -1.26 -5.13 121.20 122.22 2nwt s ILE 4 Ca -0.10 -1.17 0.01 0.00 -0.00 0.00 0.00 60.65 59.40 2nwt s ILE 4 Cb -0.02 -2.15 -0.04 0.00 -0.00 0.00 0.00 42.46 40.26 2nwt s ILE 4 CO 0.07 0.36 0.33 -0.63 -0.00 0.00 0.00 174.94 175.07 2nwt s ILE 5 N -0.90 5.27 0.01 8.37 1.01 -1.26 -5.12 121.20 128.59 2nwt s ILE 5 Ca 0.14 -0.59 0.05 0.00 0.00 0.00 0.00 60.65 60.25 2nwt s ILE 5 Cb -0.10 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 2nwt s ILE 5 CO 0.05 -0.15 -0.11 -1.61 0.00 0.00 0.00 174.94 173.12 2nwt s GLU 6 N -3.34 2.38 0.09 2.79 8.01 -1.26 -5.05 118.70 122.31 2nwt s GLU 6 Ca 0.36 -0.81 -0.06 0.00 0.01 0.00 0.00 54.97 54.47 2nwt s GLU 6 Cb -0.11 -2.38 -0.02 0.00 -4.31 0.00 0.00 34.13 27.32 2nwt s GLU 6 CO 0.29 0.58 0.12 0.00 0.01 0.00 0.00 175.26 176.26 2nwt s ALA 7 N -0.95 0.14 -0.21 5.21 0.00 -1.26 0.14 121.76 124.84 2nwt s ALA 7 Ca 0.16 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.21 2nwt s ALA 7 Cb -0.11 0.49 0.04 0.00 0.00 0.00 0.00 23.12 23.54 2nwt s ALA 7 CO 0.06 -0.48 -0.13 0.14 0.00 0.00 0.00 175.76 175.35 2nwt s VAL 8 N -3.91 1.90 -0.30 0.00 -7.23 0.19 -4.85 120.40 106.20 2nwt s VAL 8 Ca 0.09 -1.14 -0.29 0.00 -1.81 0.00 0.00 61.98 58.83 2nwt s VAL 8 Cb 0.06 -1.89 -0.00 0.00 0.56 0.00 0.00 36.38 35.10 2nwt s VAL 8 CO -0.08 0.24 1.34 -0.47 -0.31 0.00 0.00 175.10 175.81 2nwt s TYR 9 N 1.29 2.61 -0.15 2.82 5.04 -1.26 -0.95 117.35 126.76 2nwt s TYR 9 Ca -0.01 0.83 -0.05 0.00 -2.44 0.00 0.00 57.07 55.39 2nwt s TYR 9 Cb -0.16 -3.94 -0.04 0.00 0.35 0.00 0.00 41.96 38.18 2nwt s TYR 9 CO -0.09 -1.84 0.03 -1.83 -1.34 0.00 0.00 175.55 170.47 2nwt s GLU 10 N 4.26 3.69 -1.10 4.97 -1.05 0.17 -4.95 118.70 124.68 2nwt s GLU 10 Ca 0.58 -0.39 -0.11 0.00 -0.15 0.00 0.00 54.97 54.89 2nwt s GLU 10 Cb -0.17 -3.05 -0.07 0.00 -0.44 0.00 0.00 34.13 30.40 2nwt s GLU 10 CO 0.24 0.37 2.26 0.27 0.95 0.00 0.00 175.26 179.35 2nwt n ASN 11 N 3.20 5.04 0.00 0.83 2.04 -1.26 0.42 115.26 125.54 2nwt n ASN 11 Ca -0.17 -2.52 0.00 0.00 -0.44 0.00 0.00 54.58 51.45 2nwt n ASN 11 Cb 0.53 -1.27 0.00 0.00 -2.53 0.00 0.00 39.78 36.51 2nwt n ASN 11 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2nwt n GLY 12 N 3.94 1.00 3.52 4.83 0.00 -1.26 -5.15 105.19 112.08 2nwt n GLY 12 Ca 0.54 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.38 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 0.00 -0.33 1.61 -7.23 0.17 -5.13 120.40 109.50 2nwt s VAL 13 Ca 0.00 0.00 -0.13 0.00 -1.81 0.00 0.00 61.98 60.04 2nwt s VAL 13 Cb 0.00 -1.00 -0.02 0.00 0.56 0.00 0.00 36.38 35.92 2nwt s VAL 13 CO 0.00 0.00 0.25 -0.36 -0.31 0.00 0.00 175.10 174.68 2nwt s PHE 14 N -1.21 3.23 -0.32 2.82 0.08 -1.26 -0.65 117.98 120.66 2nwt s PHE 14 Ca -0.10 -0.09 -0.07 0.00 0.12 0.00 0.00 56.93 56.79 2nwt s PHE 14 Cb -0.00 -2.48 0.03 0.00 -0.57 0.00 0.00 43.02 39.99 2nwt s PHE 14 CO 0.09 -0.32 0.10 0.15 -0.10 0.00 0.00 175.22 175.13 2nwt s LYS 15 N 1.78 2.78 1.05 0.44 1.02 -0.12 -4.89 119.74 121.80 2nwt s LYS 15 Ca 0.07 -1.07 -0.15 0.00 0.02 0.00 0.00 55.97 54.84 2nwt s LYS 15 Cb -0.17 -3.43 0.11 0.00 -0.52 0.00 0.00 37.83 33.82 2nwt s LYS 15 CO 0.11 -0.59 0.37 -0.35 -0.92 0.00 0.00 175.35 173.97 2nwt n PRO 16 N 4.83 -1.12 -0.03 -1.68 -0.04 -1.26 0.55 135.00 136.25 2nwt n PRO 16 Ca -0.13 -0.30 -0.02 0.00 -0.04 0.00 0.00 63.50 63.01 2nwt n PRO 16 Cb 0.46 -1.87 -0.01 0.00 -0.04 0.00 0.00 33.50 32.04 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 -2.15 0.66 -4.73 1.53 4.77 0.12 -4.60 117.00 112.59 2nwt n LEU 17 Ca 0.04 0.31 -0.42 0.00 -0.03 0.00 0.00 56.01 55.91 2nwt n LEU 17 Cb 0.57 -0.62 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 2nwt n LEU 17 CO 0.52 -0.47 1.28 -1.10 -1.33 0.00 0.00 177.39 176.28 2nwt s GLN 18 N -1.51 4.15 0.33 3.23 -0.21 -1.23 -4.90 119.66 119.51 2nwt s GLN 18 Ca -0.07 2.54 -0.29 0.00 0.02 0.00 0.00 55.36 57.56 2nwt s GLN 18 Cb 0.01 -3.07 -0.10 0.00 1.00 0.00 0.00 33.01 30.85 2nwt s GLN 18 CO 0.10 -0.65 1.35 0.15 -2.12 0.00 0.00 175.29 174.12 2nwt s LYS 19 N 0.32 4.30 0.03 2.91 1.02 -1.26 -4.94 119.74 122.12 2nwt s LYS 19 Ca 0.68 2.28 0.02 0.00 0.02 0.00 0.00 55.97 58.97 2nwt s LYS 19 Cb -0.47 -3.06 -0.04 0.00 -0.52 0.00 0.00 37.83 33.74 2nwt s LYS 19 CO 0.40 -0.28 0.04 0.54 -0.92 0.00 0.00 175.35 175.13 2nwt s VAL 20 N -0.97 4.37 -0.02 3.17 0.11 -1.26 -4.98 120.40 120.83 2nwt s VAL 20 Ca 0.51 -0.64 0.02 0.00 -2.93 0.00 0.00 61.98 58.94 2nwt s VAL 20 Cb -0.41 -3.02 0.03 0.00 -1.53 0.00 0.00 36.38 31.46 2nwt s VAL 20 CO 0.53 0.28 0.80 -0.67 -3.33 0.00 0.00 175.10 172.71 2nwt n ASP 21 N 1.01 0.66 -3.24 3.54 2.03 -1.26 -5.09 116.55 114.20 2nwt n ASP 21 Ca -0.12 -1.69 -0.20 0.00 0.52 0.00 0.00 54.79 53.29 2nwt n ASP 21 Cb 0.52 -0.10 0.16 0.00 -0.72 0.00 0.00 41.12 40.98 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 -0.26 0.00 -4.45 -2.67 4.77 -1.26 -5.09 117.00 108.04 2nwt n LEU 22 Ca 0.02 -0.85 -0.22 0.00 -0.03 0.00 0.00 56.01 54.93 2nwt n LEU 22 Cb 0.52 -0.68 -0.10 0.00 -2.33 0.00 0.00 43.42 40.82 2nwt n LEU 22 CO 0.00 -1.59 -0.36 -1.59 -1.33 0.00 0.00 177.39 172.52 2nwt s LYS 23 N -4.77 1.60 0.42 3.23 -2.85 -1.26 -5.11 119.74 110.99 2nwt s LYS 23 Ca 0.49 -1.82 -0.25 0.00 -1.00 0.00 0.00 55.97 53.38 2nwt s LYS 23 Cb -0.04 -1.20 -0.08 0.00 -2.06 0.00 0.00 37.83 34.45 2nwt s LYS 23 CO 0.37 0.02 1.28 -1.21 0.10 0.00 0.00 175.35 175.90 2nwt s GLU 24 N -3.73 3.92 -0.92 1.78 8.01 -1.26 -2.92 118.70 123.58 2nwt s GLU 24 Ca 0.31 2.09 -0.07 0.00 0.01 0.00 0.00 54.97 57.30 2nwt s GLU 24 Cb 0.04 -2.70 -0.01 0.00 -4.31 0.00 0.00 34.13 27.15 2nwt s GLU 24 CO 0.13 -0.51 0.75 0.41 0.01 0.00 0.00 175.26 176.05 2nwt n GLY 25 N 0.66 -1.17 3.49 -1.39 0.00 -1.26 -5.01 105.19 100.50 2nwt n GLY 25 Ca 0.04 0.51 -0.35 0.00 0.00 0.00 0.00 46.02 46.22 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 3.70 -0.43 1.61 2.56 -1.15 -5.07 118.70 115.48 2nwt s GLU 26 Ca 0.21 -0.47 -0.21 0.00 0.00 0.00 0.00 54.97 54.50 2nwt s GLU 26 Cb -0.06 -3.18 0.02 0.00 2.00 0.00 0.00 34.13 32.91 2nwt s GLU 26 CO 0.81 0.01 0.67 1.03 -0.56 0.00 0.00 175.26 177.22 2nwt s ARG 27 N 1.05 3.33 0.11 4.30 3.00 -1.26 -5.01 118.95 124.47 2nwt s ARG 27 Ca 0.03 -0.29 0.09 0.00 0.00 0.00 0.00 55.73 55.57 2nwt s ARG 27 Cb -0.14 -3.94 -0.04 0.00 0.00 0.00 0.00 34.95 30.83 2nwt s ARG 27 CO 0.02 -1.01 -0.24 0.14 0.00 0.00 0.00 175.30 174.22 2nwt s VAL 28 N 2.91 1.95 -0.11 3.52 -7.23 -1.26 -5.13 120.40 115.04 2nwt s VAL 28 Ca 0.24 -1.60 -0.05 0.00 -1.81 0.00 0.00 61.98 58.77 2nwt s VAL 28 Cb -0.14 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 2nwt s VAL 28 CO 0.19 0.04 0.07 -0.54 -0.31 0.00 0.00 175.10 174.56 2nwt s LYS 29 N -1.88 3.32 -0.12 4.82 -0.14 -1.26 -5.08 119.74 119.39 2nwt s LYS 29 Ca 0.10 -0.27 -0.17 0.00 -1.36 0.00 0.00 55.97 54.26 2nwt s LYS 29 Cb -0.10 -3.03 -0.04 0.00 -1.68 0.00 0.00 37.83 32.98 2nwt s LYS 29 CO 0.05 0.68 0.44 0.42 -0.76 0.00 0.00 175.35 176.19 2nwt s ILE 30 N -0.79 5.20 -0.02 2.17 -1.09 -1.26 -5.05 121.20 120.36 2nwt s ILE 30 Ca 0.13 0.88 0.01 0.00 -2.23 0.00 0.00 60.65 59.44 2nwt s ILE 30 Cb -0.12 -3.78 0.01 0.00 -1.58 0.00 0.00 42.46 36.99 2nwt s ILE 30 CO 0.03 0.34 -0.03 -0.75 -1.23 0.00 0.00 174.94 173.30 2nwt s LYS 31 N 0.56 0.45 -0.20 2.79 2.20 -1.26 -5.12 119.74 119.15 2nwt s LYS 31 Ca 0.24 -0.08 -0.08 0.00 -0.36 0.00 0.00 55.97 55.69 2nwt s LYS 31 Cb -0.15 -0.50 -0.04 0.00 -1.51 0.00 0.00 37.83 35.63 2nwt s LYS 31 CO 0.09 -0.01 0.09 -0.51 -0.36 0.00 0.00 175.35 174.65 2nwt s LEU 32 N 0.46 3.91 0.27 5.43 1.43 -1.26 -5.05 118.68 123.87 2nwt s LEU 32 Ca -0.05 0.09 -0.29 0.00 -1.03 0.00 0.00 54.13 52.85 2nwt s LEU 32 Cb -0.08 -2.01 -0.10 0.00 0.03 0.00 0.00 46.19 44.04 2nwt s LEU 32 CO -0.01 0.14 1.25 -1.83 0.23 0.00 0.00 176.35 176.14 2nwt s GLU 33 N 0.56 4.44 0.12 1.70 -1.05 -1.26 -5.04 118.70 118.17 2nwt s GLU 33 Ca 0.05 2.06 0.01 0.00 -0.15 0.00 0.00 54.97 56.93 2nwt s GLU 33 Cb -0.12 -3.14 -0.00 0.00 -0.44 0.00 0.00 34.13 30.42 2nwt s GLU 33 CO 0.01 -0.10 0.03 1.28 0.95 0.00 0.00 175.26 177.42 2nwt n LEU 34 N 1.49 0.00 -4.66 1.83 4.32 -1.26 -5.18 117.00 113.54 2nwt n LEU 34 Ca 0.02 -0.87 -0.24 0.00 -0.02 0.00 0.00 56.01 54.90 2nwt n LEU 34 Cb 0.43 0.24 -0.08 0.00 -1.62 0.00 0.00 43.42 42.39 2nwt n LEU 34 CO 0.57 -0.13 -0.27 -0.54 -1.22 0.00 0.00 177.39 175.80 2nwt s LYS 35 N -2.45 2.18 0.51 3.23 1.02 -1.26 -5.13 119.74 117.83 2nwt s LYS 35 Ca 0.04 -1.68 -0.17 0.00 0.02 0.00 0.00 55.97 54.18 2nwt s LYS 35 Cb 0.00 -2.01 -0.08 0.00 -0.52 0.00 0.00 37.83 35.22 2nwt s LYS 35 CO 0.03 0.13 0.98 0.54 -0.92 0.00 0.00 175.35 176.11 2nwt s VAL 36 N -2.49 4.53 0.57 3.17 0.11 -1.26 -5.06 120.40 119.98 2nwt s VAL 36 Ca 0.36 1.22 -0.10 0.00 -2.93 0.00 0.00 61.98 60.53 2nwt s VAL 36 Cb -0.01 -3.71 -0.04 0.00 -1.53 0.00 0.00 36.38 31.09 2nwt s VAL 36 CO 0.20 -0.66 0.96 -1.83 -3.33 0.00 0.00 175.10 170.44 2nwt s GLU 37 N -4.00 3.62 1.09 1.54 -1.05 -1.26 -5.09 118.70 113.55 2nwt s GLU 37 Ca 0.59 0.62 -0.18 0.00 -0.15 0.00 0.00 54.97 55.85 2nwt s GLU 37 Cb -0.10 -2.17 0.25 0.00 -0.44 0.00 0.00 34.13 31.67 2nwt s GLU 37 CO 0.30 -0.44 1.22 -1.25 0.95 0.00 0.00 175.26 176.04 2nwt s PRO 38 N -4.94 -0.37 0.90 -4.83 0.04 -1.26 -5.07 135.00 119.47 2nwt s PRO 38 Ca 0.53 -0.26 -0.14 0.00 0.04 0.00 0.00 61.00 61.17 2nwt s PRO 38 Cb -0.11 -1.71 0.15 0.00 0.04 0.00 0.00 34.50 32.87 2nwt s PRO 38 CO 0.49 -3.11 1.27 0.96 0.04 0.00 0.00 177.00 176.65 2nwt s ILE 39 N -3.45 2.00 0.02 0.56 -4.36 -1.26 -4.97 121.20 109.75 2nwt s ILE 39 Ca 0.73 -0.00 -0.30 0.00 -0.26 0.00 0.00 60.65 60.82 2nwt s ILE 39 Cb -0.06 -3.00 -0.08 0.00 1.25 0.00 0.00 42.46 40.57 2nwt s ILE 39 CO 0.55 0.00 1.79 -1.81 0.24 0.00 0.00 174.94 175.70 2nwt s ASP 40 N -4.77 6.55 0.10 4.36 1.11 -1.26 -5.00 116.67 117.76 2nwt s ASP 40 Ca 0.69 2.50 0.04 0.00 0.18 0.00 0.00 52.55 55.97 2nwt s ASP 40 Cb -0.07 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.35 2nwt s ASP 40 CO 0.51 -0.97 -0.11 -0.76 1.18 0.00 0.00 175.17 175.02 2nwt s LEU 41 N 3.78 2.39 -0.29 1.23 1.43 -1.26 -5.15 118.68 120.79 2nwt s LEU 41 Ca 0.80 -0.78 -0.18 0.00 -1.03 0.00 0.00 54.13 52.94 2nwt s LEU 41 Cb -0.39 -0.38 0.18 0.00 0.03 0.00 0.00 46.19 45.62 2nwt s LEU 41 CO 0.35 -0.21 1.17 -0.83 0.23 0.00 0.00 176.35 177.06 2nwt s GLY 42 N -2.34 0.34 0.09 -3.19 0.00 -1.26 -5.15 107.32 95.80 2nwt s GLY 42 Ca 0.05 3.49 -0.26 0.00 0.00 0.00 0.00 44.72 48.00 2nwt s GLY 42 CO 0.01 2.55 0.82 -1.83 0.00 0.00 0.00 173.10 174.66 2nwt s GLU 43 N 0.97 4.57 0.32 2.90 1.03 -1.26 -5.08 118.70 122.16 2nwt s GLU 43 Ca -0.06 1.20 -0.03 0.00 0.03 0.00 0.00 54.97 56.11 2nwt s GLU 43 Cb -0.03 -3.35 0.07 0.00 -0.80 0.00 0.00 34.13 30.02 2nwt s GLU 43 CO -0.12 0.33 0.44 -0.35 -1.33 0.00 0.00 175.26 174.23 2nwt n PRO 44 N 2.53 -0.01 -4.11 -4.83 -0.04 -1.26 -5.11 135.00 122.17 2nwt n PRO 44 Ca -0.02 -0.96 -0.27 0.00 -0.04 0.00 0.00 63.50 62.21 2nwt n PRO 44 Cb 0.50 -0.37 -0.06 0.00 -0.04 0.00 0.00 33.50 33.52 2nwt n PRO 44 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2nwt s VAL 45 N -1.50 4.28 0.10 0.52 1.01 -1.26 -5.13 120.40 118.42 2nwt s VAL 45 Ca 0.27 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 61.17 2nwt s VAL 45 Cb -0.01 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.24 2nwt s VAL 45 CO 0.19 -0.05 0.10 -1.20 0.00 0.00 0.00 175.10 174.14 2nwt n SER 46 N -0.08 0.96 -4.74 3.32 7.64 -1.26 -5.11 113.62 114.36 2nwt n SER 46 Ca -0.09 -1.32 -0.32 0.00 1.01 0.00 0.00 58.87 58.15 2nwt n SER 46 Cb 0.54 -0.03 0.10 0.00 -1.01 0.00 0.00 64.21 63.80 2nwt n SER 46 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2nwt s VAL 47 N -0.17 2.81 0.16 0.44 0.11 -1.26 -4.93 120.40 117.55 2nwt s VAL 47 Ca 0.08 0.32 -0.31 0.00 -2.93 0.00 0.00 61.98 59.13 2nwt s VAL 47 Cb -0.01 -2.72 -0.11 0.00 -1.53 0.00 0.00 36.38 32.01 2nwt s VAL 47 CO 0.05 -0.29 1.71 -1.61 -3.33 0.00 0.00 175.10 171.63 2nwt s GLU 48 N -4.44 4.16 0.18 1.54 8.01 -1.26 -4.90 118.70 121.99 2nwt s GLU 48 Ca 0.67 2.51 -0.02 0.00 0.01 0.00 0.00 54.97 58.14 2nwt s GLU 48 Cb -0.22 -3.31 0.06 0.00 -4.31 0.00 0.00 34.13 26.36 2nwt s GLU 48 CO 0.51 -0.74 1.44 1.49 0.01 0.00 0.00 175.26 177.97 2nwt h GLU 49 N 7.51 0.42 -0.00 1.61 4.81 -2.05 -3.03 114.58 123.85 2nwt h GLU 49 Ca -0.44 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.46 2nwt h GLU 49 Cb 1.21 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.65 2nwt h GLU 49 CO 0.94 0.97 -0.01 1.51 -0.73 0.00 0.00 179.01 181.69 2nwt n ILE 50 N -3.85 0.00 -2.82 2.32 3.06 -1.26 -4.81 119.36 112.00 2nwt n ILE 50 Ca -0.04 -0.01 -0.41 0.00 -2.50 0.00 0.00 62.75 59.79 2nwt n ILE 50 Cb 0.69 -0.46 -0.05 0.00 0.54 0.00 0.00 39.64 40.37 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 -2.33 4.62 0.23 9.51 2.20 -1.15 -5.05 119.74 127.78 2nwt s LYS 51 Ca 0.37 1.31 0.08 0.00 -0.36 0.00 0.00 55.97 57.37 2nwt s LYS 51 Cb 0.21 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 33.11 2nwt s LYS 51 CO 0.42 0.22 0.07 -1.59 -0.36 0.00 0.00 175.35 174.11 2nwt s LYS 52 N 0.04 2.55 -0.46 4.03 -2.85 -1.26 -5.01 119.74 116.78 2nwt s LYS 52 Ca 0.44 -1.20 -0.29 0.00 -1.00 0.00 0.00 55.97 53.92 2nwt s LYS 52 Cb -0.22 -2.36 0.03 0.00 -2.06 0.00 0.00 37.83 33.22 2nwt s LYS 52 CO 0.27 0.40 1.15 0.42 0.10 0.00 0.00 175.35 177.70 2nwt s ILE 53 N -2.09 4.21 0.25 3.79 1.01 -1.26 -4.98 121.20 122.12 2nwt s ILE 53 Ca 0.31 1.25 -0.30 0.00 0.00 0.00 0.00 60.65 61.91 2nwt s ILE 53 Cb -0.08 -4.56 -0.10 0.00 0.01 0.00 0.00 42.46 37.74 2nwt s ILE 53 CO 0.21 -0.94 1.43 0.00 0.00 0.00 0.00 174.94 175.64 2nwt s ARG 54 N 4.42 4.28 0.27 2.79 1.04 -1.26 -4.98 118.95 125.50 2nwt s ARG 54 Ca 0.49 2.28 -0.22 0.00 -1.04 0.00 0.00 55.73 57.24 2nwt s ARG 54 Cb -0.08 -3.12 -0.09 0.00 -2.04 0.00 0.00 34.95 29.62 2nwt s ARG 54 CO 0.30 -0.40 0.82 0.16 -0.04 0.00 0.00 175.30 176.14 2nwt s ASP 55 N 0.34 7.17 0.26 -2.89 -4.77 -1.26 -5.06 116.67 110.46 2nwt s ASP 55 Ca 0.59 1.59 -0.14 0.00 -3.30 0.00 0.00 52.55 51.28 2nwt s ASP 55 Cb -0.41 -2.49 0.00 0.00 -1.09 0.00 0.00 42.92 38.93 2nwt s ASP 55 CO 0.43 -0.02 0.54 -0.83 0.70 0.00 0.00 175.17 175.99 2nwt s GLY 56 N -1.65 0.41 0.30 2.12 0.00 -1.26 -5.13 107.32 102.11 2nwt s GLY 56 Ca 0.46 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 44.42 2nwt s GLY 56 CO 0.22 -0.51 0.00 2.41 0.00 0.00 0.00 173.10 175.22 2nwt n THR 57 N -0.41 -2.42 -4.55 0.90 -1.04 -1.26 -5.03 114.28 100.48 2nwt n THR 57 Ca -0.02 1.03 -0.27 0.00 -2.04 0.00 0.00 64.05 62.75 2nwt n THR 57 Cb 0.61 -1.54 -0.14 0.00 -1.82 0.00 0.00 70.33 67.45 2nwt n THR 57 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 2nwt s TRP 58 N -3.82 2.02 0.12 -1.42 -0.00 -1.26 -5.12 118.94 109.46 2nwt s TRP 58 Ca 0.00 -0.39 -0.23 0.00 -0.00 0.00 0.00 56.10 55.48 2nwt s TRP 58 Cb 0.00 -1.16 -0.07 0.00 -0.00 0.00 0.00 33.47 32.24 2nwt s TRP 58 CO 0.00 0.18 0.68 -1.64 -0.00 0.00 0.00 176.95 176.17 2nwt s MET 59 N -1.57 4.40 0.83 5.86 -1.94 -1.26 -5.06 119.30 120.57 2nwt s MET 59 Ca 0.09 0.97 -0.12 0.00 -1.71 0.00 0.00 55.69 54.92 2nwt s MET 59 Cb -0.10 -3.26 0.09 0.00 2.01 0.00 0.00 34.83 33.58 2nwt s MET 59 CO 0.03 0.59 1.11 -1.12 -0.01 0.00 0.00 175.02 175.63 2nwt s SER 60 N -1.08 4.18 -0.19 3.03 0.01 -1.26 -4.97 113.70 113.42 2nwt s SER 60 Ca 0.33 1.16 0.15 0.00 1.31 0.00 0.00 55.95 58.90 2nwt s SER 60 Cb -0.21 -1.83 0.67 0.00 0.21 0.00 0.00 66.02 64.85 2nwt s SER 60 CO 0.23 -2.15 1.58 -1.20 0.41 0.00 0.00 173.24 172.11 2nwt n SER 61 N -3.53 4.76 -3.11 2.44 7.64 -1.26 -4.96 113.62 115.60 2nwt n SER 61 Ca 0.07 -2.90 -0.17 0.00 1.01 0.00 0.00 58.87 56.88 2nwt n SER 61 Cb 0.57 -0.60 0.02 0.00 -1.01 0.00 0.00 64.21 63.19 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 0.16 -5.49 -4.63 -3.43 7.99 -1.26 -4.80 117.00 105.54 2nwt n LEU 62 Ca 0.24 0.40 -0.43 0.00 -0.01 0.00 0.00 56.01 56.22 2nwt n LEU 62 Cb 1.02 -2.53 -0.03 0.00 -0.11 0.00 0.00 43.42 41.76 2nwt n LEU 62 CO 0.24 -1.53 1.74 -1.61 -1.51 0.00 0.00 177.39 174.71 2nwt s GLU 63 N -2.22 3.58 -0.68 3.23 8.01 -1.26 -2.44 118.70 126.92 2nwt s GLU 63 Ca 0.23 2.30 -0.00 0.00 0.01 0.00 0.00 54.97 57.51 2nwt s GLU 63 Cb -0.04 -4.28 -0.00 0.00 -4.31 0.00 0.00 34.13 25.49 2nwt s GLU 63 CO 0.71 -1.59 0.64 1.58 0.01 0.00 0.00 175.26 176.61 2nwt n HIS 64 N 9.83 -2.64 -0.51 1.61 -0.00 -1.26 -4.89 115.22 117.36 2nwt n HIS 64 Ca 0.25 1.00 -0.13 0.00 -0.00 0.00 0.00 57.72 58.85 2nwt n HIS 64 Cb 0.43 -3.85 0.05 0.00 -0.00 0.00 0.00 29.99 26.62 2nwt n HIS 64 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2nwt n HIS 65 N -1.78 1.30 -4.04 1.57 -0.00 -1.02 -4.77 115.22 106.49 2nwt n HIS 65 Ca -0.00 -1.56 -0.17 0.00 0.46 0.00 0.00 57.72 56.45 2nwt n HIS 65 Cb 0.51 -0.77 -0.15 0.00 -0.12 0.00 0.00 29.99 29.46 2nwt n HIS 65 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2nwt s HIS 66 N -1.49 0.40 -0.26 1.57 3.76 -1.26 -5.13 115.29 112.88 2nwt s HIS 66 Ca 0.25 -0.06 -0.00 0.00 -0.15 0.00 0.00 55.06 55.10 2nwt s HIS 66 Cb 0.20 -0.37 0.08 0.00 1.11 0.00 0.00 32.58 33.60 2nwt s HIS 66 CO 0.01 -0.08 0.03 -1.01 -0.85 0.00 0.00 174.74 172.84 2nwt s HIS 67 N 0.51 1.97 -0.21 1.40 3.76 -1.26 -4.89 115.29 116.57 2nwt s HIS 67 Ca -0.05 -1.67 0.11 0.00 -0.15 0.00 0.00 55.06 53.30 2nwt s HIS 67 Cb -0.09 -1.64 -0.21 0.00 1.11 0.00 0.00 32.58 31.75 2nwt s HIS 67 CO -0.01 -0.79 -0.04 0.72 -0.85 0.00 0.00 174.74 173.77 2nwt n HIS 68 N 4.78 0.00 -0.37 1.40 8.25 -1.26 -5.33 115.22 122.69 2nwt n HIS 68 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2nwt n HIS 68 Cb 0.44 -0.96 0.00 0.00 1.12 0.00 0.00 29.99 30.59 2nwt n HIS 68 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56