#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 3.54 0.39 0.03 0.02 -1.26 -4.97 135.00 132.75 2nwt s PRO 2 Ca 0.00 1.48 -0.25 0.00 0.02 0.00 0.00 61.00 62.25 2nwt s PRO 2 Cb 0.00 -4.12 -0.09 0.00 0.02 0.00 0.00 34.50 30.32 2nwt s PRO 2 CO 0.00 -1.60 1.15 -1.59 -0.33 0.00 0.00 177.00 174.63 2nwt s LYS 3 N 5.20 4.11 0.04 5.54 -2.85 -1.26 -5.04 119.74 125.47 2nwt s LYS 3 Ca 0.75 1.80 0.05 0.00 -1.00 0.00 0.00 55.97 57.56 2nwt s LYS 3 Cb -0.23 -2.69 -0.02 0.00 -2.06 0.00 0.00 37.83 32.83 2nwt s LYS 3 CO 0.32 -0.26 -0.13 0.96 0.10 0.00 0.00 175.35 176.33 2nwt s ILE 4 N -1.43 1.04 0.34 3.79 -0.00 -1.26 -5.12 121.20 118.56 2nwt s ILE 4 Ca 0.56 -1.00 0.04 0.00 -0.00 0.00 0.00 60.65 60.26 2nwt s ILE 4 Cb -0.30 -0.95 -0.07 0.00 -0.00 0.00 0.00 42.46 41.14 2nwt s ILE 4 CO 0.37 -0.04 0.04 -0.63 -0.00 0.00 0.00 174.94 174.69 2nwt s ILE 5 N -0.89 1.36 0.22 8.37 1.01 -1.26 -5.16 121.20 124.84 2nwt s ILE 5 Ca 0.00 -2.01 0.06 0.00 0.00 0.00 0.00 60.65 58.70 2nwt s ILE 5 Cb -0.08 -2.81 -0.03 0.00 0.01 0.00 0.00 42.46 39.54 2nwt s ILE 5 CO 0.01 -0.02 0.23 -1.61 0.00 0.00 0.00 174.94 173.55 2nwt s GLU 6 N -3.85 3.09 0.04 2.79 2.02 -1.26 -5.00 118.70 116.53 2nwt s GLU 6 Ca 0.36 -0.90 -0.15 0.00 0.02 0.00 0.00 54.97 54.30 2nwt s GLU 6 Cb 0.09 -2.70 0.02 0.00 0.10 0.00 0.00 34.13 31.64 2nwt s GLU 6 CO 0.16 0.44 0.33 0.00 0.02 0.00 0.00 175.26 176.20 2nwt s ALA 7 N -1.98 -0.77 -0.27 5.21 0.00 -1.26 0.59 121.76 123.28 2nwt s ALA 7 Ca 0.33 0.11 -0.05 0.00 0.00 0.00 0.00 51.96 52.34 2nwt s ALA 7 Cb -0.09 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.34 2nwt s ALA 7 CO 0.26 -0.41 0.03 0.14 0.00 0.00 0.00 175.76 175.78 2nwt s VAL 8 N -2.42 3.68 -0.66 0.00 -7.23 0.17 -4.85 120.40 109.08 2nwt s VAL 8 Ca -0.06 -0.66 -0.28 0.00 -1.81 0.00 0.00 61.98 59.17 2nwt s VAL 8 Cb -0.01 -2.83 0.03 0.00 0.56 0.00 0.00 36.38 34.12 2nwt s VAL 8 CO -0.02 0.19 1.24 -0.47 -0.31 0.00 0.00 175.10 175.73 2nwt s TYR 9 N 1.47 2.43 -0.05 2.82 5.04 -1.25 -0.85 117.35 126.96 2nwt s TYR 9 Ca 0.03 0.17 0.06 0.00 -2.44 0.00 0.00 57.07 54.89 2nwt s TYR 9 Cb -0.16 -4.58 -0.02 0.00 0.35 0.00 0.00 41.96 37.55 2nwt s TYR 9 CO 0.00 -1.85 -0.22 -1.83 -1.34 0.00 0.00 175.55 170.31 2nwt s GLU 10 N 5.37 2.49 0.00 4.97 -1.05 0.15 -4.70 118.70 125.94 2nwt s GLU 10 Ca 0.39 -0.86 0.00 0.00 -0.15 0.00 0.00 54.97 54.35 2nwt s GLU 10 Cb -0.08 -2.21 0.00 0.00 -0.44 0.00 0.00 34.13 31.41 2nwt s GLU 10 CO 0.20 0.46 0.00 -1.71 0.95 0.00 0.00 175.26 175.16 2nwt n ASN 11 N 2.75 -4.79 0.00 0.83 4.05 -1.26 0.02 115.26 116.85 2nwt n ASN 11 Ca -0.17 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.86 2nwt n ASN 11 Cb 0.52 -2.62 0.00 0.00 1.23 0.00 0.00 39.78 38.91 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 -0.23 0.91 3.23 8.20 0.00 -1.26 -5.09 105.19 110.95 2nwt n GLY 12 Ca 0.00 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 1.64 -0.32 1.61 -7.23 0.10 -5.11 120.40 109.09 2nwt s VAL 13 Ca 0.00 -1.05 -0.20 0.00 -1.81 0.00 0.00 61.98 58.92 2nwt s VAL 13 Cb 0.00 -1.40 -0.01 0.00 0.56 0.00 0.00 36.38 35.54 2nwt s VAL 13 CO 0.00 0.32 0.62 -0.36 -0.31 0.00 0.00 175.10 175.37 2nwt s PHE 14 N -0.65 3.19 -0.33 2.82 0.08 -1.26 0.35 117.98 122.17 2nwt s PHE 14 Ca 0.08 0.48 -0.07 0.00 0.12 0.00 0.00 56.93 57.53 2nwt s PHE 14 Cb -0.08 -3.03 0.03 0.00 -0.57 0.00 0.00 43.02 39.37 2nwt s PHE 14 CO 0.01 -0.52 0.11 0.15 -0.10 0.00 0.00 175.22 174.87 2nwt s LYS 15 N 2.62 2.83 1.06 0.44 1.02 -0.03 -4.89 119.74 122.79 2nwt s LYS 15 Ca 0.24 -1.04 -0.23 0.00 0.02 0.00 0.00 55.97 54.96 2nwt s LYS 15 Cb -0.15 -3.48 -0.04 0.00 -0.52 0.00 0.00 37.83 33.64 2nwt s LYS 15 CO 0.13 -0.59 -0.76 -2.30 -0.92 0.00 0.00 175.35 170.91 2nwt n PRO 16 N 4.86 -0.83 -3.71 -1.68 -0.02 -1.26 0.43 135.00 132.79 2nwt n PRO 16 Ca -0.13 -0.23 -0.38 0.00 -2.02 0.00 0.00 63.50 60.74 2nwt n PRO 16 Cb 0.46 -1.36 -0.12 0.00 -0.02 0.00 0.00 33.50 32.46 2nwt n PRO 16 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2nwt s LEU 17 N 3.25 4.08 0.09 2.45 1.43 0.20 -4.45 118.68 125.73 2nwt s LEU 17 Ca 0.46 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 2nwt s LEU 17 Cb -0.01 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.28 2nwt s LEU 17 CO 0.66 -0.23 0.00 0.00 0.23 0.00 0.00 176.35 177.01 2nwt n GLN 18 N 4.90 -0.69 -1.74 1.70 -0.00 -1.26 -4.47 117.38 115.82 2nwt n GLN 18 Ca -0.14 0.52 -0.42 0.00 -0.00 0.00 0.00 57.00 56.96 2nwt n GLN 18 Cb 0.48 -0.61 -0.03 0.00 -0.00 0.00 0.00 30.24 30.08 2nwt n GLN 18 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 2nwt s LYS 19 N -5.19 4.14 0.06 2.61 2.20 -1.26 -4.97 119.74 117.32 2nwt s LYS 19 Ca 0.00 2.58 0.06 0.00 -0.36 0.00 0.00 55.97 58.26 2nwt s LYS 19 Cb 0.00 -3.31 -0.03 0.00 -1.51 0.00 0.00 37.83 32.98 2nwt s LYS 19 CO 0.00 -0.78 -0.18 0.54 -0.36 0.00 0.00 175.35 174.57 2nwt s VAL 20 N 1.88 1.43 -0.88 4.02 0.11 -1.26 -5.06 120.40 120.63 2nwt s VAL 20 Ca 0.77 -1.23 -0.10 0.00 -2.93 0.00 0.00 61.98 58.50 2nwt s VAL 20 Cb -0.48 -1.28 0.23 0.00 -1.53 0.00 0.00 36.38 33.32 2nwt s VAL 20 CO 0.34 0.03 0.81 -0.62 -3.33 0.00 0.00 175.10 172.32 2nwt s ASP 21 N -1.40 6.61 0.39 3.54 2.15 -1.26 -5.00 116.67 121.69 2nwt s ASP 21 Ca 0.04 -3.06 0.05 0.00 0.43 0.00 0.00 52.55 50.02 2nwt s ASP 21 Cb -0.09 -2.13 0.05 0.00 -0.30 0.00 0.00 42.92 40.46 2nwt s ASP 21 CO 0.02 -0.43 0.45 0.18 -0.17 0.00 0.00 175.17 175.22 2nwt n LEU 22 N 3.40 0.00 -4.80 -1.34 4.77 -1.26 -5.14 117.00 112.64 2nwt n LEU 22 Ca 0.16 -1.78 -0.31 0.00 -0.03 0.00 0.00 56.01 54.05 2nwt n LEU 22 Cb 0.43 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 2nwt n LEU 22 CO 0.37 -0.59 -0.25 -0.75 -1.33 0.00 0.00 177.39 174.85 2nwt s LYS 23 N -3.69 3.00 -0.20 3.23 2.20 -1.26 -5.08 119.74 117.94 2nwt s LYS 23 Ca 0.34 -0.60 -0.27 0.00 -0.36 0.00 0.00 55.97 55.08 2nwt s LYS 23 Cb -0.03 -2.80 -0.00 0.00 -1.51 0.00 0.00 37.83 33.49 2nwt s LYS 23 CO 0.22 0.59 0.91 -1.83 -0.36 0.00 0.00 175.35 174.88 2nwt s GLU 24 N -2.24 4.26 0.00 4.03 -1.05 -1.26 -2.64 118.70 119.80 2nwt s GLU 24 Ca 0.28 1.14 0.00 0.00 -0.15 0.00 0.00 54.97 56.24 2nwt s GLU 24 Cb -0.12 -3.61 0.00 0.00 -0.44 0.00 0.00 34.13 29.95 2nwt s GLU 24 CO 0.21 -0.48 0.00 0.41 0.95 0.00 0.00 175.26 176.35 2nwt n GLY 25 N 3.47 1.01 3.64 -3.83 0.00 -1.26 -5.06 105.19 103.16 2nwt n GLY 25 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.50 4.04 -0.26 1.61 2.12 -1.08 -4.98 118.70 119.65 2nwt s GLU 26 Ca 0.00 1.31 -0.22 0.00 0.36 0.00 0.00 54.97 56.41 2nwt s GLU 26 Cb 0.00 -3.81 -0.01 0.00 0.26 0.00 0.00 34.13 30.57 2nwt s GLU 26 CO 0.00 -0.95 0.73 0.50 -0.54 0.00 0.00 175.26 175.00 2nwt s ARG 27 N 3.86 4.12 0.25 4.30 3.52 -1.26 -5.02 118.95 128.71 2nwt s ARG 27 Ca 0.53 0.71 0.09 0.00 -0.13 0.00 0.00 55.73 56.93 2nwt s ARG 27 Cb -0.17 -3.66 -0.05 0.00 -1.56 0.00 0.00 34.95 29.51 2nwt s ARG 27 CO 0.19 -0.49 -0.14 0.14 -0.81 0.00 0.00 175.30 174.18 2nwt s VAL 28 N 2.70 1.96 -0.07 7.11 -7.23 -1.26 -5.14 120.40 118.47 2nwt s VAL 28 Ca 0.30 -2.25 0.05 0.00 -1.81 0.00 0.00 61.98 58.27 2nwt s VAL 28 Cb -0.15 -2.22 -0.01 0.00 0.56 0.00 0.00 36.38 34.55 2nwt s VAL 28 CO 0.09 -0.47 -0.22 -0.54 -0.31 0.00 0.00 175.10 173.65 2nwt s LYS 29 N -3.62 2.67 0.05 4.82 -0.14 -1.26 -5.12 119.74 117.14 2nwt s LYS 29 Ca 0.26 -0.85 0.03 0.00 -1.36 0.00 0.00 55.97 54.06 2nwt s LYS 29 Cb -0.01 -2.25 -0.02 0.00 -1.68 0.00 0.00 37.83 33.86 2nwt s LYS 29 CO 0.11 0.38 -0.11 0.42 -0.76 0.00 0.00 175.35 175.39 2nwt s ILE 30 N -0.15 0.80 0.14 2.17 1.01 -1.26 -5.11 121.20 118.80 2nwt s ILE 30 Ca -0.03 -1.08 -0.01 0.00 0.00 0.00 0.00 60.65 59.53 2nwt s ILE 30 Cb -0.14 -0.80 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 2nwt s ILE 30 CO 0.04 -0.24 0.06 -1.59 0.00 0.00 0.00 174.94 173.20 2nwt s LYS 31 N -1.46 0.95 0.09 2.79 0.00 -1.26 -5.16 119.74 115.69 2nwt s LYS 31 Ca -0.05 -1.45 -0.08 0.00 0.00 0.00 0.00 55.97 54.39 2nwt s LYS 31 Cb -0.09 0.21 -0.06 0.00 0.00 0.00 0.00 37.83 37.89 2nwt s LYS 31 CO 0.01 -0.26 0.38 -0.51 0.00 0.00 0.00 175.35 174.97 2nwt s LEU 32 N -3.06 4.32 0.49 2.77 1.43 -1.26 -5.06 118.68 118.31 2nwt s LEU 32 Ca 0.25 0.70 -0.23 0.00 -1.03 0.00 0.00 54.13 53.82 2nwt s LEU 32 Cb 0.07 -3.06 -0.06 0.00 0.03 0.00 0.00 46.19 43.17 2nwt s LEU 32 CO 0.02 0.14 1.27 -0.70 0.23 0.00 0.00 176.35 177.31 2nwt s GLU 33 N -2.15 3.51 0.63 1.70 2.56 -1.26 -4.95 118.70 118.74 2nwt s GLU 33 Ca 0.35 2.03 -0.16 0.00 0.00 0.00 0.00 54.97 57.19 2nwt s GLU 33 Cb -0.13 -2.38 -0.02 0.00 2.00 0.00 0.00 34.13 33.60 2nwt s GLU 33 CO 0.20 -0.83 1.09 -0.51 -0.56 0.00 0.00 175.26 174.65 2nwt s LEU 34 N -3.17 3.45 0.38 2.70 1.43 -1.26 -5.06 118.68 117.15 2nwt s LEU 34 Ca 0.66 1.95 0.04 0.00 -1.03 0.00 0.00 54.13 55.74 2nwt s LEU 34 Cb -0.35 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.29 2nwt s LEU 34 CO 0.42 -1.44 0.10 -0.54 0.23 0.00 0.00 176.35 175.13 2nwt s LYS 35 N -4.03 1.83 0.05 1.70 3.01 -1.26 -5.15 119.74 115.88 2nwt s LYS 35 Ca 0.66 -2.09 -0.12 0.00 -1.01 0.00 0.00 55.97 53.41 2nwt s LYS 35 Cb -0.19 -0.71 -0.06 0.00 -1.01 0.00 0.00 37.83 35.86 2nwt s LYS 35 CO 0.39 -0.38 0.41 0.54 0.51 0.00 0.00 175.35 176.82 2nwt s VAL 36 N -3.25 5.06 -0.11 3.17 0.11 -1.26 -5.07 120.40 119.05 2nwt s VAL 36 Ca 0.28 0.64 -0.19 0.00 -2.93 0.00 0.00 61.98 59.77 2nwt s VAL 36 Cb 0.05 -3.67 -0.04 0.00 -1.53 0.00 0.00 36.38 31.18 2nwt s VAL 36 CO 0.14 0.41 0.51 -1.61 -3.33 0.00 0.00 175.10 171.23 2nwt s GLU 37 N -1.55 4.35 1.05 1.54 2.02 -1.26 -5.08 118.70 119.78 2nwt s GLU 37 Ca 0.29 0.52 -0.15 0.00 0.02 0.00 0.00 54.97 55.64 2nwt s GLU 37 Cb -0.15 -3.44 0.21 0.00 0.10 0.00 0.00 34.13 30.86 2nwt s GLU 37 CO 0.16 0.15 1.14 -1.25 0.02 0.00 0.00 175.26 175.48 2nwt s PRO 38 N 0.64 0.01 0.26 0.39 0.04 -1.26 -5.04 135.00 130.03 2nwt s PRO 38 Ca 0.28 0.10 -0.11 0.00 0.04 0.00 0.00 61.00 61.30 2nwt s PRO 38 Cb -0.16 -1.73 -0.08 0.00 0.04 0.00 0.00 34.50 32.58 2nwt s PRO 38 CO 0.11 -2.92 0.61 0.42 0.04 0.00 0.00 177.00 175.26 2nwt s ILE 39 N -3.20 4.86 -0.04 0.56 1.01 -1.26 -5.09 121.20 118.04 2nwt s ILE 39 Ca 0.68 0.61 0.05 0.00 0.00 0.00 0.00 60.65 61.99 2nwt s ILE 39 Cb -0.12 -3.62 -0.01 0.00 0.01 0.00 0.00 42.46 38.73 2nwt s ILE 39 CO 0.55 -0.11 -0.19 -0.62 0.00 0.00 0.00 174.94 174.57 2nwt s ASP 40 N -2.35 2.37 0.95 3.58 2.15 -1.26 -5.14 116.67 116.97 2nwt s ASP 40 Ca 0.49 -0.39 -0.15 0.00 0.43 0.00 0.00 52.55 52.93 2nwt s ASP 40 Cb -0.11 -0.63 0.18 0.00 -0.30 0.00 0.00 42.92 42.06 2nwt s ASP 40 CO 0.20 0.18 1.27 -0.76 -0.17 0.00 0.00 175.17 175.89 2nwt s LEU 41 N -0.03 2.51 0.19 -1.34 1.02 -1.26 -5.08 118.68 114.69 2nwt s LEU 41 Ca -0.03 0.42 0.09 0.00 0.02 0.00 0.00 54.13 54.63 2nwt s LEU 41 Cb -0.12 -2.54 -0.04 0.00 0.02 0.00 0.00 46.19 43.51 2nwt s LEU 41 CO 0.02 -2.66 -0.08 -0.83 0.02 0.00 0.00 176.35 172.82 2nwt s GLY 42 N -4.73 1.72 0.35 -3.19 0.00 -1.26 -5.10 107.32 95.11 2nwt s GLY 42 Ca 0.71 -1.50 -0.28 0.00 0.00 0.00 0.00 44.72 43.65 2nwt s GLY 42 CO 0.52 -1.53 1.29 -1.83 0.00 0.00 0.00 173.10 171.55 2nwt s GLU 43 N -2.95 4.27 -0.01 2.90 1.03 -1.26 -4.94 118.70 117.74 2nwt s GLU 43 Ca 0.26 2.16 -0.30 0.00 0.03 0.00 0.00 54.97 57.12 2nwt s GLU 43 Cb -0.08 -2.99 -0.07 0.00 -0.80 0.00 0.00 34.13 30.19 2nwt s GLU 43 CO 0.16 -0.24 1.84 -2.14 -1.33 0.00 0.00 175.26 173.55 2nwt s PRO 44 N -1.90 4.13 0.43 -4.83 0.02 -1.26 -4.97 135.00 126.62 2nwt s PRO 44 Ca 0.51 2.41 -0.22 0.00 0.02 0.00 0.00 61.00 63.72 2nwt s PRO 44 Cb -0.38 -4.09 -0.09 0.00 0.02 0.00 0.00 34.50 29.95 2nwt s PRO 44 CO 0.51 -0.94 1.02 0.54 -0.33 0.00 0.00 177.00 177.80 2nwt s VAL 45 N 4.37 3.91 0.14 3.83 0.11 -1.26 -5.06 120.40 126.44 2nwt s VAL 45 Ca 0.82 1.32 0.00 0.00 -2.93 0.00 0.00 61.98 61.19 2nwt s VAL 45 Cb -0.38 -3.61 0.03 0.00 -1.53 0.00 0.00 36.38 30.88 2nwt s VAL 45 CO 0.36 -0.13 0.19 -1.20 -3.33 0.00 0.00 175.10 170.99 2nwt n SER 46 N -0.44 0.27 -1.02 3.54 7.64 -1.26 -5.01 113.62 117.33 2nwt n SER 46 Ca 0.07 -1.22 0.00 0.00 1.01 0.00 0.00 58.87 58.73 2nwt n SER 46 Cb 0.51 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 2nwt n SER 46 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2nwt n VAL 47 N -1.63 -3.78 -3.22 0.44 0.31 -1.26 -4.89 118.33 104.30 2nwt n VAL 47 Ca 0.03 1.54 -0.42 0.00 -0.01 0.00 0.00 64.34 65.49 2nwt n VAL 47 Cb 0.11 -2.13 -0.08 0.00 -0.91 0.00 0.00 33.84 30.83 2nwt n VAL 47 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2nwt s GLU 48 N -4.53 3.50 0.14 5.55 2.02 -1.26 -4.88 118.70 119.24 2nwt s GLU 48 Ca 0.00 -0.26 0.15 0.00 0.02 0.00 0.00 54.97 54.88 2nwt s GLU 48 Cb 0.00 -3.85 -0.08 0.00 0.10 0.00 0.00 34.13 30.30 2nwt s GLU 48 CO 0.00 -0.73 1.08 1.49 0.02 0.00 0.00 175.26 177.12 2nwt h GLU 49 N 8.56 0.00 0.00 1.61 4.81 -2.00 -3.33 114.58 124.24 2nwt h GLU 49 Ca -0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2nwt h GLU 49 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2nwt h GLU 49 CO 0.80 0.46 -0.02 0.82 -0.73 0.00 0.00 179.01 180.33 2nwt h ILE 50 N 0.00 0.00 -3.12 2.32 2.04 -2.02 -3.43 117.51 113.29 2nwt h ILE 50 Ca -0.10 -0.52 -0.62 0.00 1.00 0.00 0.00 64.86 64.62 2nwt h ILE 50 Cb 1.57 1.50 -0.11 0.00 -0.74 0.00 0.00 36.82 39.04 2nwt h ILE 50 CO 0.06 0.00 -0.49 -0.75 0.00 0.00 0.00 178.15 176.97 2nwt s LYS 51 N -3.11 3.99 0.00 2.37 2.36 -1.25 -5.08 119.74 119.02 2nwt s LYS 51 Ca 0.10 -0.21 0.00 0.00 -2.55 0.00 0.00 55.97 53.32 2nwt s LYS 51 Cb 0.12 -3.35 0.00 0.00 -1.05 0.00 0.00 37.83 33.55 2nwt s LYS 51 CO 0.61 0.42 0.00 0.36 1.55 0.00 0.00 175.35 178.29 2nwt n LYS 52 N 3.13 3.98 -1.71 4.03 0.00 -1.26 -4.94 118.16 121.40 2nwt n LYS 52 Ca -0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.13 2nwt n LYS 52 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.55 2nwt n LYS 52 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2nwt n ILE 53 N 0.00 -4.81 -4.41 0.58 5.41 -1.26 -5.07 119.36 109.81 2nwt n ILE 53 Ca 0.00 0.52 -0.30 0.00 1.00 0.00 0.00 62.75 63.97 2nwt n ILE 53 Cb 0.00 -4.14 -0.17 0.00 -0.71 0.00 0.00 39.64 34.62 2nwt n ILE 53 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2nwt s ARG 54 N -0.87 2.56 0.69 0.38 3.52 -1.26 -5.13 118.95 118.83 2nwt s ARG 54 Ca -0.05 -0.68 -0.03 0.00 -0.13 0.00 0.00 55.73 54.84 2nwt s ARG 54 Cb 0.00 -2.17 0.09 0.00 -1.56 0.00 0.00 34.95 31.32 2nwt s ARG 54 CO 0.15 -0.10 0.96 0.34 -0.81 0.00 0.00 175.30 175.85 2nwt s ASP 55 N 1.06 4.64 0.00 -2.12 -1.08 -1.26 -5.02 116.67 112.89 2nwt s ASP 55 Ca -0.03 0.01 0.00 0.00 -0.52 0.00 0.00 52.55 52.01 2nwt s ASP 55 Cb -0.14 -0.58 0.00 0.00 -1.46 0.00 0.00 42.92 40.73 2nwt s ASP 55 CO -0.05 -1.66 0.00 0.61 0.52 0.00 0.00 175.17 174.60 2nwt n GLY 56 N -2.79 0.00 3.76 2.66 0.00 -1.26 -5.15 105.19 102.40 2nwt n GLY 56 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 2nwt n GLY 56 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2nwt s THR 57 N 0.00 2.76 -0.06 2.61 -1.32 -1.26 -5.04 115.64 113.33 2nwt s THR 57 Ca 0.00 0.51 -0.10 0.00 -1.21 0.00 0.00 61.69 60.89 2nwt s THR 57 Cb 0.00 -3.23 0.02 0.00 -1.51 0.00 0.00 72.50 67.78 2nwt s THR 57 CO 0.00 -0.07 0.25 0.86 -2.21 0.00 0.00 174.62 173.45 2nwt s TRP 58 N -1.57 -0.20 -0.20 9.09 -0.11 -1.26 -5.14 118.94 119.55 2nwt s TRP 58 Ca 0.73 0.44 -0.04 0.00 1.22 0.00 0.00 56.10 58.44 2nwt s TRP 58 Cb -0.30 0.07 -0.02 0.00 -1.50 0.00 0.00 33.47 31.72 2nwt s TRP 58 CO 0.34 -0.23 -0.02 1.41 -4.62 0.00 0.00 176.95 173.84 2nwt s MET 59 N -0.50 3.57 0.09 5.86 -2.45 -1.26 -5.09 119.30 119.52 2nwt s MET 59 Ca -0.06 -0.55 -0.25 0.00 -1.25 0.00 0.00 55.69 53.58 2nwt s MET 59 Cb -0.04 -3.02 -0.06 0.00 1.25 0.00 0.00 34.83 32.95 2nwt s MET 59 CO 0.01 0.01 0.78 0.45 1.05 0.00 0.00 175.02 177.33 2nwt s SER 60 N 0.99 7.30 -0.17 1.11 0.15 -1.26 -4.95 113.70 116.86 2nwt s SER 60 Ca 0.01 1.55 0.16 0.00 0.70 0.00 0.00 55.95 58.36 2nwt s SER 60 Cb -0.14 -2.49 0.64 0.00 -1.71 0.00 0.00 66.02 62.32 2nwt s SER 60 CO 0.01 0.08 1.55 -1.20 1.20 0.00 0.00 173.24 174.88 2nwt n SER 61 N 2.37 4.56 -4.56 5.45 7.64 -1.26 -4.91 113.62 122.91 2nwt n SER 61 Ca -0.03 -2.82 -0.37 0.00 1.01 0.00 0.00 58.87 56.66 2nwt n SER 61 Cb 0.50 -0.57 -0.04 0.00 -1.01 0.00 0.00 64.21 63.09 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 -2.50 3.37 -0.33 -3.43 1.43 -1.26 -4.95 118.68 111.01 2nwt s LEU 62 Ca 0.46 -1.10 -0.15 0.00 -1.03 0.00 0.00 54.13 52.30 2nwt s LEU 62 Cb 0.35 -2.57 -0.01 0.00 0.03 0.00 0.00 46.19 43.99 2nwt s LEU 62 CO 0.14 -1.93 0.38 -1.61 0.23 0.00 0.00 176.35 173.57 2nwt s GLU 63 N 5.70 3.63 -0.07 1.70 2.02 -1.26 -5.06 118.70 125.35 2nwt s GLU 63 Ca 0.53 -0.32 0.05 0.00 0.02 0.00 0.00 54.97 55.24 2nwt s GLU 63 Cb -0.03 -3.78 -0.01 0.00 0.10 0.00 0.00 34.13 30.41 2nwt s GLU 63 CO -0.05 -0.51 -0.22 -1.58 0.02 0.00 0.00 175.26 172.93 2nwt s HIS 64 N 2.07 2.54 0.23 1.61 2.46 -1.26 -5.13 115.29 117.82 2nwt s HIS 64 Ca 0.13 -0.70 0.11 0.00 0.47 0.00 0.00 55.06 55.07 2nwt s HIS 64 Cb -0.16 -1.66 -0.05 0.00 -0.13 0.00 0.00 32.58 30.58 2nwt s HIS 64 CO 0.12 -0.20 -0.20 -1.01 -2.47 0.00 0.00 174.74 170.97 2nwt s HIS 65 N -0.07 2.15 -0.41 3.88 3.76 -1.26 -5.10 115.29 118.24 2nwt s HIS 65 Ca -0.06 -0.39 0.07 0.00 -0.15 0.00 0.00 55.06 54.54 2nwt s HIS 65 Cb -0.14 -0.99 0.18 0.00 1.11 0.00 0.00 32.58 32.73 2nwt s HIS 65 CO 0.04 0.56 0.65 -1.58 -0.85 0.00 0.00 174.74 173.56 2nwt s HIS 66 N -2.27 -1.67 -0.03 1.40 2.46 -1.26 -5.15 115.29 108.76 2nwt s HIS 66 Ca 0.24 0.25 0.01 0.00 0.47 0.00 0.00 55.06 56.04 2nwt s HIS 66 Cb -0.05 0.31 0.02 0.00 -0.13 0.00 0.00 32.58 32.72 2nwt s HIS 66 CO 0.11 -1.13 -0.03 -1.01 -2.47 0.00 0.00 174.74 170.21 2nwt s HIS 67 N 1.86 0.55 -0.18 3.88 3.76 -1.26 -5.00 115.29 118.91 2nwt s HIS 67 Ca 0.16 -0.11 0.17 0.00 -0.15 0.00 0.00 55.06 55.12 2nwt s HIS 67 Cb -0.04 -0.51 -0.24 0.00 1.11 0.00 0.00 32.58 32.90 2nwt s HIS 67 CO -0.07 -0.14 0.08 1.58 -0.85 0.00 0.00 174.74 175.34 2nwt n HIS 68 N 3.88 0.00 -0.93 1.40 -0.00 -1.26 -5.36 115.22 112.95 2nwt n HIS 68 Ca -0.24 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.94 2nwt n HIS 68 Cb 0.52 -0.90 0.00 0.00 -0.12 0.00 0.00 29.99 29.49 2nwt n HIS 68 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52