#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 3.20 0.26 0.03 0.04 -1.26 -4.66 135.00 132.61 2nwt s PRO 2 Ca 0.00 -0.61 0.12 0.00 0.04 0.00 0.00 61.00 60.55 2nwt s PRO 2 Cb 0.00 -4.01 -0.05 0.00 0.04 0.00 0.00 34.50 30.48 2nwt s PRO 2 CO 0.00 -1.08 -0.21 0.21 0.04 0.00 0.00 177.00 175.96 2nwt s LYS 3 N 2.69 1.63 0.04 4.56 2.20 -1.26 -5.10 119.74 124.51 2nwt s LYS 3 Ca 0.19 -1.70 -0.31 0.00 -0.36 0.00 0.00 55.97 53.79 2nwt s LYS 3 Cb -0.16 -1.77 -0.06 0.00 -1.51 0.00 0.00 37.83 34.32 2nwt s LYS 3 CO 0.16 0.34 1.38 0.96 -0.36 0.00 0.00 175.35 177.83 2nwt s ILE 4 N -2.31 3.61 0.12 5.43 -0.00 -1.26 -5.00 121.20 121.79 2nwt s ILE 4 Ca 0.28 1.08 0.04 0.00 -0.00 0.00 0.00 60.65 62.04 2nwt s ILE 4 Cb -0.06 -3.69 -0.04 0.00 -0.00 0.00 0.00 42.46 38.67 2nwt s ILE 4 CO 0.14 0.03 0.11 -0.63 -0.00 0.00 0.00 174.94 174.59 2nwt s ILE 5 N 1.88 4.51 -0.33 8.37 1.01 -1.26 -5.09 121.20 130.28 2nwt s ILE 5 Ca 0.64 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 60.32 2nwt s ILE 5 Cb -0.33 -3.24 0.06 0.00 0.01 0.00 0.00 42.46 38.96 2nwt s ILE 5 CO 0.28 0.00 0.07 -1.61 0.00 0.00 0.00 174.94 173.68 2nwt s GLU 6 N -2.77 2.40 0.37 2.79 2.02 -1.26 -5.03 118.70 117.22 2nwt s GLU 6 Ca 0.30 -1.35 0.08 0.00 0.02 0.00 0.00 54.97 54.02 2nwt s GLU 6 Cb -0.11 -3.34 -0.04 0.00 0.10 0.00 0.00 34.13 30.75 2nwt s GLU 6 CO 0.23 -0.72 0.23 0.00 0.02 0.00 0.00 175.26 175.01 2nwt s ALA 7 N 1.27 3.69 -0.21 5.21 0.00 -1.26 -0.01 121.76 130.45 2nwt s ALA 7 Ca -0.02 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.07 2nwt s ALA 7 Cb -0.20 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 22.15 2nwt s ALA 7 CO -0.01 -0.07 -0.14 0.14 0.00 0.00 0.00 175.76 175.69 2nwt s VAL 8 N -2.45 2.41 -0.23 0.00 -7.23 0.14 -4.89 120.40 108.14 2nwt s VAL 8 Ca 0.41 -1.02 -0.29 0.00 -1.81 0.00 0.00 61.98 59.28 2nwt s VAL 8 Cb -0.02 -2.13 -0.02 0.00 0.56 0.00 0.00 36.38 34.76 2nwt s VAL 8 CO 0.24 0.36 1.58 -0.47 -0.31 0.00 0.00 175.10 176.51 2nwt s TYR 9 N 1.29 2.17 0.06 2.82 5.04 -1.25 -1.80 117.35 125.67 2nwt s TYR 9 Ca 0.02 0.58 -0.00 0.00 -2.44 0.00 0.00 57.07 55.23 2nwt s TYR 9 Cb -0.15 -3.98 0.01 0.00 0.35 0.00 0.00 41.96 38.19 2nwt s TYR 9 CO -0.09 -2.79 0.08 -1.91 -1.34 0.00 0.00 175.55 169.50 2nwt n GLU 10 N 7.63 0.34 -0.37 4.97 2.13 0.22 -4.89 120.64 130.67 2nwt n GLU 10 Ca 0.18 -0.18 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 2nwt n GLU 10 Cb 0.45 -0.06 -0.06 0.00 0.27 0.00 0.00 31.44 32.04 2nwt n GLU 10 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2nwt n ASN 11 N -3.02 1.95 0.00 4.31 5.15 -1.26 -2.34 115.26 120.06 2nwt n ASN 11 Ca 0.01 -1.86 0.00 0.00 -0.60 0.00 0.00 54.58 52.14 2nwt n ASN 11 Cb 0.04 -0.53 0.00 0.00 -0.53 0.00 0.00 39.78 38.77 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 2.79 1.22 3.50 8.20 0.00 -1.26 -5.12 105.19 114.52 2nwt n GLY 12 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 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 2.77 -0.17 1.61 1.01 -0.99 -5.12 120.40 117.51 2nwt s VAL 13 Ca 0.00 -1.91 0.01 0.00 0.00 0.00 0.00 61.98 60.08 2nwt s VAL 13 Cb 0.00 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 34.04 2nwt s VAL 13 CO 0.00 -0.15 -0.16 -0.36 0.00 0.00 0.00 175.10 174.43 2nwt s PHE 14 N -1.80 2.43 -0.20 5.22 0.08 -1.26 0.70 117.98 123.15 2nwt s PHE 14 Ca 0.24 -1.44 -0.02 0.00 0.12 0.00 0.00 56.93 55.83 2nwt s PHE 14 Cb -0.08 -1.72 -0.00 0.00 -0.57 0.00 0.00 43.02 40.65 2nwt s PHE 14 CO 0.13 -0.73 -0.09 0.15 -0.10 0.00 0.00 175.22 174.58 2nwt s LYS 15 N 1.40 3.29 1.01 0.44 3.01 -0.74 -4.92 119.74 123.22 2nwt s LYS 15 Ca 0.04 -0.68 -0.12 0.00 -1.01 0.00 0.00 55.97 54.20 2nwt s LYS 15 Cb -0.13 -2.87 0.19 0.00 -1.01 0.00 0.00 37.83 34.01 2nwt s LYS 15 CO -0.11 -0.16 1.08 -2.14 0.51 0.00 0.00 175.35 174.53 2nwt s PRO 16 N 1.32 0.35 0.00 -1.68 0.02 -1.26 0.24 135.00 133.99 2nwt s PRO 16 Ca 0.04 0.75 0.09 0.00 0.02 0.00 0.00 61.00 61.90 2nwt s PRO 16 Cb -0.14 -1.71 0.03 0.00 0.02 0.00 0.00 34.50 32.70 2nwt s PRO 16 CO -0.05 -2.84 0.68 1.28 -0.33 0.00 0.00 177.00 175.75 2nwt n LEU 17 N -4.29 1.43 -4.36 -5.54 4.77 0.98 -4.75 117.00 105.24 2nwt n LEU 17 Ca 0.06 -0.87 -0.30 0.00 -0.03 0.00 0.00 56.01 54.86 2nwt n LEU 17 Cb 0.56 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.50 2nwt n LEU 17 CO 0.56 0.28 -0.55 -1.10 -1.33 0.00 0.00 177.39 175.25 2nwt s GLN 18 N -1.06 1.88 0.29 3.23 -0.21 -1.26 -5.01 119.66 117.52 2nwt s GLN 18 Ca 0.09 -1.07 -0.28 0.00 0.02 0.00 0.00 55.36 54.11 2nwt s GLN 18 Cb 0.08 -2.03 -0.09 0.00 1.00 0.00 0.00 33.01 31.97 2nwt s GLN 18 CO 0.18 0.52 1.05 0.15 -2.12 0.00 0.00 175.29 175.07 2nwt s LYS 19 N -1.23 4.60 0.16 2.91 1.02 -1.26 -4.97 119.74 120.97 2nwt s LYS 19 Ca 0.12 1.68 0.04 0.00 0.02 0.00 0.00 55.97 57.82 2nwt s LYS 19 Cb -0.10 -3.08 -0.05 0.00 -0.52 0.00 0.00 37.83 34.08 2nwt s LYS 19 CO 0.02 0.21 -0.06 0.54 -0.92 0.00 0.00 175.35 175.15 2nwt s VAL 20 N -1.27 1.00 -1.14 3.17 0.11 -1.26 -5.01 120.40 116.00 2nwt s VAL 20 Ca 0.46 -2.03 0.17 0.00 -2.93 0.00 0.00 61.98 57.65 2nwt s VAL 20 Cb -0.29 -1.97 0.55 0.00 -1.53 0.00 0.00 36.38 33.15 2nwt s VAL 20 CO 0.36 -0.64 1.47 -0.67 -3.33 0.00 0.00 175.10 172.29 2nwt n ASP 21 N -0.23 3.92 -4.75 3.54 2.03 -1.26 -4.94 116.55 114.86 2nwt n ASP 21 Ca -0.09 -2.28 -0.41 0.00 0.52 0.00 0.00 54.79 52.53 2nwt n ASP 21 Cb 0.62 -0.45 -0.02 0.00 -0.72 0.00 0.00 41.12 40.54 2nwt n ASP 21 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2nwt s LEU 22 N -1.51 4.40 0.00 -2.67 1.02 -1.26 -4.34 118.68 114.32 2nwt s LEU 22 Ca 0.41 2.59 0.00 0.00 0.02 0.00 0.00 54.13 57.16 2nwt s LEU 22 Cb 0.25 -3.62 0.03 0.00 0.02 0.00 0.00 46.19 42.87 2nwt s LEU 22 CO 0.22 -0.63 0.23 0.29 0.02 0.00 0.00 176.35 176.48 2nwt n LYS 23 N 2.18 0.53 -0.76 1.70 4.76 -1.26 -5.02 118.16 120.29 2nwt n LYS 23 Ca 0.06 -0.65 -0.31 0.00 -2.87 0.00 0.00 58.31 54.54 2nwt n LYS 23 Cb 0.41 -0.14 0.16 0.00 -1.84 0.00 0.00 35.03 33.63 2nwt n LYS 23 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2nwt s GLU 24 N -2.95 1.06 0.00 1.97 8.01 -1.26 -3.18 118.70 122.36 2nwt s GLU 24 Ca 0.15 1.47 0.00 0.00 0.01 0.00 0.00 54.97 56.60 2nwt s GLU 24 Cb -0.01 -1.74 0.00 0.00 -4.31 0.00 0.00 34.13 28.07 2nwt s GLU 24 CO 0.10 -2.57 0.00 0.41 0.01 0.00 0.00 175.26 173.21 2nwt n GLY 25 N 0.06 0.00 3.79 -1.39 0.00 -1.26 -4.85 105.19 101.54 2nwt n GLY 25 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 4.03 -0.27 1.61 2.12 -1.19 -5.01 118.70 119.99 2nwt s GLU 26 Ca 0.00 1.46 -0.22 0.00 0.36 0.00 0.00 54.97 56.57 2nwt s GLU 26 Cb 0.00 -2.37 -0.01 0.00 0.26 0.00 0.00 34.13 32.01 2nwt s GLU 26 CO 0.00 -0.25 0.70 0.50 -0.54 0.00 0.00 175.26 175.67 2nwt s ARG 27 N -2.78 4.07 -0.00 4.30 6.06 -1.26 -5.03 118.95 124.32 2nwt s ARG 27 Ca 0.61 0.61 -0.07 0.00 -2.50 0.00 0.00 55.73 54.39 2nwt s ARG 27 Cb -0.20 -3.67 0.00 0.00 0.06 0.00 0.00 34.95 31.14 2nwt s ARG 27 CO 0.25 -0.50 0.14 0.08 -2.50 0.00 0.00 175.30 172.76 2nwt s VAL 28 N 2.67 0.08 0.02 7.11 1.01 -1.26 -5.16 120.40 124.87 2nwt s VAL 28 Ca 0.29 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.69 2nwt s VAL 28 Cb -0.15 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 2nwt s VAL 28 CO 0.09 -0.35 -0.16 -0.54 0.00 0.00 0.00 175.10 174.14 2nwt s LYS 29 N -1.28 2.21 -0.12 2.72 1.02 -1.26 -5.11 119.74 117.92 2nwt s LYS 29 Ca -0.14 -0.89 -0.03 0.00 0.02 0.00 0.00 55.97 54.93 2nwt s LYS 29 Cb -0.07 -2.26 -0.03 0.00 -0.52 0.00 0.00 37.83 34.95 2nwt s LYS 29 CO 0.01 0.56 -0.01 0.42 -0.92 0.00 0.00 175.35 175.42 2nwt s ILE 30 N -0.89 4.21 -0.02 2.17 1.01 -1.26 -5.07 121.20 121.35 2nwt s ILE 30 Ca 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.53 2nwt s ILE 30 Cb -0.11 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 2nwt s ILE 30 CO 0.05 0.55 0.02 -1.59 0.00 0.00 0.00 174.94 173.96 2nwt s LYS 31 N -0.28 2.89 -0.21 2.79 -2.85 -1.26 -5.09 119.74 115.73 2nwt s LYS 31 Ca 0.06 -0.53 -0.10 0.00 -1.00 0.00 0.00 55.97 54.40 2nwt s LYS 31 Cb -0.12 -2.74 -0.05 0.00 -2.06 0.00 0.00 37.83 32.86 2nwt s LYS 31 CO 0.02 0.65 0.13 -1.17 0.10 0.00 0.00 175.35 175.07 2nwt s LEU 32 N -1.44 4.08 0.16 2.77 2.96 -1.26 -5.01 118.68 120.93 2nwt s LEU 32 Ca 0.19 0.15 -0.30 0.00 -0.22 0.00 0.00 54.13 53.95 2nwt s LEU 32 Cb -0.12 -2.07 -0.08 0.00 0.50 0.00 0.00 46.19 44.43 2nwt s LEU 32 CO 0.09 0.14 1.22 -0.70 -1.32 0.00 0.00 176.35 175.78 2nwt s GLU 33 N 0.63 4.46 0.37 1.98 2.56 -1.26 -4.98 118.70 122.46 2nwt s GLU 33 Ca 0.07 1.89 -0.11 0.00 0.00 0.00 0.00 54.97 56.82 2nwt s GLU 33 Cb -0.12 -3.26 0.04 0.00 2.00 0.00 0.00 34.13 32.80 2nwt s GLU 33 CO 0.01 -0.16 0.69 1.47 -0.56 0.00 0.00 175.26 176.70 2nwt n LEU 34 N 2.90 0.00 -4.34 2.70 -0.00 -1.26 -5.19 117.00 111.81 2nwt n LEU 34 Ca 0.06 -2.57 -0.19 0.00 -0.00 0.00 0.00 56.01 53.31 2nwt n LEU 34 Cb 0.45 3.39 -0.10 0.00 -0.00 0.00 0.00 43.42 47.15 2nwt n LEU 34 CO 0.56 -0.78 -0.45 -0.75 -0.00 0.00 0.00 177.39 175.97 2nwt s LYS 35 N -2.27 1.31 0.26 1.47 2.47 -1.26 -5.12 119.74 116.60 2nwt s LYS 35 Ca 0.19 -1.53 -0.30 0.00 -1.56 0.00 0.00 55.97 52.77 2nwt s LYS 35 Cb -0.04 -1.18 -0.09 0.00 -1.46 0.00 0.00 37.83 35.05 2nwt s LYS 35 CO 0.14 0.21 1.29 0.08 0.16 0.00 0.00 175.35 177.23 2nwt s VAL 36 N -2.68 3.04 -0.03 4.02 1.01 -1.26 -5.00 120.40 119.50 2nwt s VAL 36 Ca 0.20 0.94 -0.15 0.00 0.00 0.00 0.00 61.98 62.98 2nwt s VAL 36 Cb -0.02 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 2nwt s VAL 36 CO 0.07 0.18 0.39 -1.83 0.00 0.00 0.00 175.10 173.91 2nwt s GLU 37 N -0.89 3.96 0.41 2.72 -1.05 -1.26 -5.10 118.70 117.49 2nwt s GLU 37 Ca 0.52 0.36 -0.06 0.00 -0.15 0.00 0.00 54.97 55.65 2nwt s GLU 37 Cb -0.37 -3.26 0.09 0.00 -0.44 0.00 0.00 34.13 30.15 2nwt s GLU 37 CO 0.44 0.61 0.56 -0.35 0.95 0.00 0.00 175.26 177.47 2nwt n PRO 38 N 2.15 -0.39 -4.34 -4.83 -0.04 -1.26 -5.12 135.00 121.18 2nwt n PRO 38 Ca -0.13 -0.98 -0.25 0.00 -0.04 0.00 0.00 63.50 62.10 2nwt n PRO 38 Cb 0.52 -0.54 -0.12 0.00 -0.04 0.00 0.00 33.50 33.32 2nwt n PRO 38 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2nwt s ILE 39 N -2.07 1.94 -0.04 0.52 -5.25 -1.26 -5.13 121.20 109.90 2nwt s ILE 39 Ca 0.33 -1.73 -0.12 0.00 -0.99 0.00 0.00 60.65 58.13 2nwt s ILE 39 Cb -0.01 -1.79 -0.05 0.00 2.95 0.00 0.00 42.46 43.56 2nwt s ILE 39 CO 0.23 -0.09 0.32 -0.62 -1.79 0.00 0.00 174.94 172.98 2nwt s ASP 40 N -2.19 6.66 -0.32 4.36 2.15 -1.26 -5.02 116.67 121.05 2nwt s ASP 40 Ca 0.12 0.79 -0.28 0.00 0.43 0.00 0.00 52.55 53.60 2nwt s ASP 40 Cb -0.09 -2.19 -0.02 0.00 -0.30 0.00 0.00 42.92 40.32 2nwt s ASP 40 CO 0.06 0.35 1.79 -0.22 -0.17 0.00 0.00 175.17 176.98 2nwt s LEU 41 N -1.03 3.53 -0.18 -1.34 0.20 -1.26 -4.94 118.68 113.66 2nwt s LEU 41 Ca 0.21 1.34 -0.04 0.00 0.69 0.00 0.00 54.13 56.33 2nwt s LEU 41 Cb -0.15 -3.53 0.09 0.00 -0.43 0.00 0.00 46.19 42.17 2nwt s LEU 41 CO 0.10 -1.67 0.28 -0.83 -0.29 0.00 0.00 176.35 173.94 2nwt s GLY 42 N 5.95 -0.14 0.17 7.98 0.00 -1.26 -5.16 107.32 114.86 2nwt s GLY 42 Ca 0.80 0.71 0.04 0.00 0.00 0.00 0.00 44.72 46.27 2nwt s GLY 42 CO 0.34 2.19 -0.07 -0.54 0.00 0.00 0.00 173.10 175.02 2nwt s GLU 43 N 2.42 1.12 0.91 2.90 2.02 -1.26 -5.15 118.70 121.66 2nwt s GLU 43 Ca 0.05 -1.51 -0.11 0.00 0.02 0.00 0.00 54.97 53.42 2nwt s GLU 43 Cb -0.14 -0.58 0.14 0.00 0.10 0.00 0.00 34.13 33.65 2nwt s GLU 43 CO -0.11 0.01 1.09 -2.14 0.02 0.00 0.00 175.26 174.13 2nwt s PRO 44 N -3.79 1.15 0.04 0.39 0.02 -1.26 -5.05 135.00 126.49 2nwt s PRO 44 Ca 0.20 0.88 0.01 0.00 0.02 0.00 0.00 61.00 62.10 2nwt s PRO 44 Cb 0.04 -1.79 -0.04 0.00 0.02 0.00 0.00 34.50 32.73 2nwt s PRO 44 CO 0.03 -2.33 0.13 0.08 -0.33 0.00 0.00 177.00 174.57 2nwt s VAL 45 N -2.89 4.95 0.53 3.83 1.01 -1.26 -5.12 120.40 121.46 2nwt s VAL 45 Ca 0.64 -0.49 0.08 0.00 0.00 0.00 0.00 61.98 62.21 2nwt s VAL 45 Cb -0.19 -3.36 0.05 0.00 0.00 0.00 0.00 36.38 32.89 2nwt s VAL 45 CO 0.57 0.21 0.62 -0.44 0.00 0.00 0.00 175.10 176.06 2nwt s SER 46 N -2.21 5.01 0.12 3.32 0.01 -1.26 -5.15 113.70 113.55 2nwt s SER 46 Ca 0.29 -0.92 0.05 0.00 1.31 0.00 0.00 55.95 56.68 2nwt s SER 46 Cb -0.12 0.16 -0.04 0.00 0.21 0.00 0.00 66.02 66.22 2nwt s SER 46 CO 0.21 -1.15 -0.11 0.54 0.41 0.00 0.00 173.24 173.14 2nwt s VAL 47 N -2.65 1.12 0.07 3.43 0.11 -1.26 -5.12 120.40 116.11 2nwt s VAL 47 Ca 0.52 -1.82 -0.31 0.00 -2.93 0.00 0.00 61.98 57.44 2nwt s VAL 47 Cb -0.05 -1.58 -0.06 0.00 -1.53 0.00 0.00 36.38 33.16 2nwt s VAL 47 CO 0.32 -0.60 1.24 -1.61 -3.33 0.00 0.00 175.10 171.13 2nwt s GLU 48 N -3.12 4.41 0.15 1.54 2.02 -1.26 -4.92 118.70 117.51 2nwt s GLU 48 Ca 0.10 1.84 0.15 0.00 0.02 0.00 0.00 54.97 57.08 2nwt s GLU 48 Cb -0.01 -3.32 -0.07 0.00 0.10 0.00 0.00 34.13 30.82 2nwt s GLU 48 CO 0.01 -0.29 1.09 1.49 0.02 0.00 0.00 175.26 177.58 2nwt h GLU 49 N 6.78 0.00 0.00 1.61 4.81 -2.05 -3.31 114.58 122.42 2nwt h GLU 49 Ca -0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 2nwt h GLU 49 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2nwt h GLU 49 CO 0.82 0.44 0.00 0.82 -0.73 0.00 0.00 179.01 180.36 2nwt h ILE 50 N 0.00 0.00 -3.35 2.32 2.04 -2.08 -3.41 117.51 113.03 2nwt h ILE 50 Ca -0.09 -0.33 -0.65 0.00 1.00 0.00 0.00 64.86 64.79 2nwt h ILE 50 Cb 1.54 1.16 -0.20 0.00 -0.74 0.00 0.00 36.82 38.57 2nwt h ILE 50 CO 0.06 0.00 -0.66 -0.54 0.00 0.00 0.00 178.15 177.01 2nwt s LYS 51 N -3.39 3.50 -0.22 2.37 1.02 -1.25 -5.08 119.74 116.69 2nwt s LYS 51 Ca 0.04 -0.50 -0.29 0.00 0.02 0.00 0.00 55.97 55.23 2nwt s LYS 51 Cb 0.09 -2.87 0.16 0.00 -0.52 0.00 0.00 37.83 34.69 2nwt s LYS 51 CO 0.45 0.35 1.18 0.21 -0.92 0.00 0.00 175.35 176.61 2nwt s LYS 52 N 0.08 0.33 -0.09 1.68 2.20 -1.26 -4.90 119.74 117.77 2nwt s LYS 52 Ca -0.00 0.09 -0.07 0.00 -0.36 0.00 0.00 55.97 55.63 2nwt s LYS 52 Cb -0.13 0.16 0.03 0.00 -1.51 0.00 0.00 37.83 36.37 2nwt s LYS 52 CO 0.03 -0.10 0.13 -0.89 -0.36 0.00 0.00 175.35 174.16 2nwt n ILE 53 N 0.68-12.71 -2.82 5.43 2.08 -1.26 -4.99 119.36 105.77 2nwt n ILE 53 Ca -0.06 2.87 -0.32 0.00 0.56 0.00 0.00 62.75 65.80 2nwt n ILE 53 Cb 0.58 -6.19 -0.05 0.00 -0.75 0.00 0.00 39.64 33.24 2nwt n ILE 53 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 2nwt s ARG 54 N -0.61 4.00 0.67 0.38 3.00 -1.26 -5.03 118.95 120.10 2nwt s ARG 54 Ca -0.15 0.82 -0.14 0.00 -1.00 0.00 0.00 55.73 55.25 2nwt s ARG 54 Cb 0.01 -2.28 0.00 0.00 0.00 0.00 0.00 34.95 32.68 2nwt s ARG 54 CO 0.42 -0.04 1.10 0.16 0.00 0.00 0.00 175.30 176.94 2nwt s ASP 55 N -2.62 5.11 -0.47 -2.12 -4.77 -1.26 -5.03 116.67 105.51 2nwt s ASP 55 Ca 0.57 1.94 0.06 0.00 -3.30 0.00 0.00 52.55 51.82 2nwt s ASP 55 Cb -0.10 -2.54 0.21 0.00 -1.09 0.00 0.00 42.92 39.40 2nwt s ASP 55 CO 0.22 -1.63 0.67 0.61 0.70 0.00 0.00 175.17 175.75 2nwt n GLY 56 N -0.74 0.69 3.86 2.12 0.00 -1.26 -5.15 105.19 104.71 2nwt n GLY 56 Ca 0.10 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 2nwt n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nwt s THR 57 N 0.32 5.10 -0.05 2.61 2.01 -1.26 -5.09 115.64 119.28 2nwt s THR 57 Ca 0.32 0.59 0.04 0.00 0.31 0.00 0.00 61.69 62.95 2nwt s THR 57 Cb 0.11 -3.65 -0.00 0.00 0.01 0.00 0.00 72.50 68.96 2nwt s THR 57 CO -0.15 0.44 -0.17 0.86 -0.69 0.00 0.00 174.62 174.90 2nwt s TRP 58 N -1.24 1.74 -0.20 4.92 -0.11 -1.26 -5.12 118.94 117.66 2nwt s TRP 58 Ca 0.28 -0.52 -0.16 0.00 1.22 0.00 0.00 56.10 56.91 2nwt s TRP 58 Cb -0.15 -1.18 -0.04 0.00 -1.50 0.00 0.00 33.47 30.61 2nwt s TRP 58 CO 0.15 -0.19 0.41 1.41 -4.62 0.00 0.00 176.95 174.12 2nwt s MET 59 N 0.10 4.17 0.42 5.86 -2.45 -1.26 -5.07 119.30 121.07 2nwt s MET 59 Ca -0.05 0.23 -0.19 0.00 -1.25 0.00 0.00 55.69 54.42 2nwt s MET 59 Cb -0.12 -3.54 -0.10 0.00 1.25 0.00 0.00 34.83 32.31 2nwt s MET 59 CO 0.03 -0.06 0.90 0.45 1.05 0.00 0.00 175.02 177.39 2nwt s SER 60 N 1.08 6.85 0.00 1.11 0.15 -1.26 -4.99 113.70 116.64 2nwt s SER 60 Ca 0.20 1.57 0.17 0.00 0.70 0.00 0.00 55.95 58.59 2nwt s SER 60 Cb -0.15 -2.49 -0.05 0.00 -1.71 0.00 0.00 66.02 61.62 2nwt s SER 60 CO 0.08 -0.36 0.86 -1.54 1.20 0.00 0.00 173.24 173.48 2nwt n SER 61 N -0.73 1.49 -3.37 5.45 3.41 -1.26 -5.03 113.62 113.58 2nwt n SER 61 Ca 0.06 -1.25 -0.37 0.00 -0.26 0.00 0.00 58.87 57.06 2nwt n SER 61 Cb 0.54 0.60 0.04 0.00 -0.26 0.00 0.00 64.21 65.13 2nwt n SER 61 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2nwt n LEU 62 N -0.42 -2.27 -4.82 1.04 4.32 -1.26 -4.91 117.00 108.68 2nwt n LEU 62 Ca 0.06 -0.19 -0.32 0.00 -0.02 0.00 0.00 56.01 55.54 2nwt n LEU 62 Cb 0.34 -1.49 0.01 0.00 -1.62 0.00 0.00 43.42 40.67 2nwt n LEU 62 CO 0.25 0.03 0.71 -1.83 -1.22 0.00 0.00 177.39 175.33 2nwt s GLU 63 N -2.40 3.35 -0.42 3.23 4.04 -1.26 -5.04 118.70 120.20 2nwt s GLU 63 Ca 0.35 1.07 0.04 0.00 0.04 0.00 0.00 54.97 56.47 2nwt s GLU 63 Cb -0.04 -2.04 0.17 0.00 0.02 0.00 0.00 34.13 32.24 2nwt s GLU 63 CO 0.82 -0.77 0.42 -1.01 -1.84 0.00 0.00 175.26 172.88 2nwt s HIS 64 N -2.68 0.24 -0.46 4.83 3.76 -1.26 -5.09 115.29 114.63 2nwt s HIS 64 Ca 0.61 -1.65 -0.08 0.00 -0.15 0.00 0.00 55.06 53.79 2nwt s HIS 64 Cb -0.14 -0.56 0.12 0.00 1.11 0.00 0.00 32.58 33.11 2nwt s HIS 64 CO 0.41 -0.95 0.32 -1.01 -0.85 0.00 0.00 174.74 172.67 2nwt s HIS 65 N 0.53 3.46 -0.03 1.40 3.76 -1.26 -5.05 115.29 118.11 2nwt s HIS 65 Ca 0.29 -2.00 -0.04 0.00 -0.15 0.00 0.00 55.06 53.15 2nwt s HIS 65 Cb -0.02 -3.45 0.01 0.00 1.11 0.00 0.00 32.58 30.23 2nwt s HIS 65 CO -0.12 -0.99 0.11 -1.01 -0.85 0.00 0.00 174.74 171.88 2nwt s HIS 66 N 1.28 -0.06 -0.09 1.40 3.76 -1.26 -5.16 115.29 115.17 2nwt s HIS 66 Ca 0.07 0.14 -0.07 0.00 -0.15 0.00 0.00 55.06 55.04 2nwt s HIS 66 Cb -0.25 0.00 0.03 0.00 1.11 0.00 0.00 32.58 33.46 2nwt s HIS 66 CO -0.02 -0.13 0.22 -3.38 -0.85 0.00 0.00 174.74 170.59 2nwt s HIS 67 N -0.41 -0.25 -0.35 1.40 -3.43 -1.26 -5.13 115.29 105.86 2nwt s HIS 67 Ca -0.05 0.62 -0.07 0.00 -0.80 0.00 0.00 55.06 54.77 2nwt s HIS 67 Cb -0.03 0.07 0.05 0.00 -1.43 0.00 0.00 32.58 31.24 2nwt s HIS 67 CO 0.00 -0.14 0.13 -1.01 -2.00 0.00 0.00 174.74 171.73 2nwt s HIS 68 N 0.33 3.28 0.00 0.38 3.76 -1.26 -5.37 115.29 116.42 2nwt s HIS 68 Ca -0.02 -1.50 0.00 0.00 -0.15 0.00 0.00 55.06 53.39 2nwt s HIS 68 Cb -0.03 -2.42 0.00 0.00 1.11 0.00 0.00 32.58 31.24 2nwt s HIS 68 CO -0.01 -0.76 0.00 1.58 -0.85 0.00 0.00 174.74 174.70