#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 4.04 0.16 3.17 0.04 -1.26 -5.07 135.00 136.07 2nwt s PRO 2 Ca 0.00 0.22 -0.18 0.00 0.04 0.00 0.00 61.00 61.08 2nwt s PRO 2 Cb 0.00 -3.66 -0.07 0.00 0.04 0.00 0.00 34.50 30.81 2nwt s PRO 2 CO 0.00 -0.34 0.62 0.21 0.04 0.00 0.00 177.00 177.53 2nwt s LYS 3 N 2.24 4.14 0.04 4.56 2.36 -1.26 -5.03 119.74 126.80 2nwt s LYS 3 Ca 0.19 0.70 -0.30 0.00 -2.55 0.00 0.00 55.97 54.01 2nwt s LYS 3 Cb -0.16 -2.99 -0.05 0.00 -1.05 0.00 0.00 37.83 33.59 2nwt s LYS 3 CO 0.10 0.49 1.13 0.96 1.55 0.00 0.00 175.35 179.57 2nwt s ILE 4 N -1.40 4.31 0.21 5.43 -0.00 -1.26 -5.02 121.20 123.47 2nwt s ILE 4 Ca 0.38 1.66 -0.13 0.00 -0.00 0.00 0.00 60.65 62.55 2nwt s ILE 4 Cb -0.17 -4.06 -0.07 0.00 -0.00 0.00 0.00 42.46 38.15 2nwt s ILE 4 CO 0.20 0.12 0.59 -0.63 -0.00 0.00 0.00 174.94 175.22 2nwt s ILE 5 N 1.09 4.83 -0.19 8.37 -1.09 -1.26 -5.06 121.20 127.89 2nwt s ILE 5 Ca 0.56 0.76 -0.07 0.00 -2.23 0.00 0.00 60.65 59.68 2nwt s ILE 5 Cb -0.27 -3.69 -0.04 0.00 -1.58 0.00 0.00 42.46 36.89 2nwt s ILE 5 CO 0.28 0.07 0.05 -1.61 -1.23 0.00 0.00 174.94 172.50 2nwt s GLU 6 N -2.40 3.89 0.02 2.79 2.02 -1.26 -5.05 118.70 118.71 2nwt s GLU 6 Ca 0.44 -0.39 -0.01 0.00 0.02 0.00 0.00 54.97 55.03 2nwt s GLU 6 Cb -0.13 -3.19 -0.02 0.00 0.10 0.00 0.00 34.13 30.89 2nwt s GLU 6 CO 0.20 0.20 -0.01 0.00 0.02 0.00 0.00 175.26 175.67 2nwt s ALA 7 N 0.55 0.14 -0.21 5.21 0.00 -1.26 0.01 121.76 126.19 2nwt s ALA 7 Ca 0.02 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.33 2nwt s ALA 7 Cb -0.13 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.17 2nwt s ALA 7 CO 0.01 -0.20 -0.11 0.14 0.00 0.00 0.00 175.76 175.60 2nwt s VAL 8 N -1.84 2.74 -0.66 0.00 -7.23 0.18 -4.87 120.40 108.72 2nwt s VAL 8 Ca -0.12 -0.77 -0.27 0.00 -1.81 0.00 0.00 61.98 59.01 2nwt s VAL 8 Cb -0.07 -2.24 -0.01 0.00 0.56 0.00 0.00 36.38 34.63 2nwt s VAL 8 CO -0.02 0.44 1.70 -0.47 -0.31 0.00 0.00 175.10 176.43 2nwt s TYR 9 N 1.37 1.84 -0.10 2.82 5.04 -1.24 -0.83 117.35 126.26 2nwt s TYR 9 Ca 0.05 0.54 0.04 0.00 -2.44 0.00 0.00 57.07 55.25 2nwt s TYR 9 Cb -0.14 -4.24 -0.00 0.00 0.35 0.00 0.00 41.96 37.92 2nwt s TYR 9 CO -0.08 -2.23 -0.23 -2.00 -1.34 0.00 0.00 175.55 169.68 2nwt s GLU 10 N 6.67 3.00 -1.91 4.97 2.56 0.29 -4.69 118.70 129.58 2nwt s GLU 10 Ca 0.58 -0.86 0.00 0.00 0.00 0.00 0.00 54.97 54.69 2nwt s GLU 10 Cb -0.11 -2.32 0.00 0.00 2.00 0.00 0.00 34.13 33.70 2nwt s GLU 10 CO 0.18 0.22 0.00 -1.71 -0.56 0.00 0.00 175.26 173.39 2nwt n ASN 11 N 3.42 -5.42 0.00 -1.70 2.85 -1.26 -0.89 115.26 112.26 2nwt n ASN 11 Ca -0.19 0.30 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 2nwt n ASN 11 Cb 0.53 -4.56 0.00 0.00 1.24 0.00 0.00 39.78 36.98 2nwt n ASN 11 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2nwt n GLY 12 N -0.75 0.80 3.27 8.20 0.00 -1.26 -5.06 105.19 110.39 2nwt n GLY 12 Ca -0.21 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 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 1.81 -0.37 1.61 1.01 -0.06 -5.09 120.40 117.30 2nwt s VAL 13 Ca 0.00 -1.14 -0.22 0.00 0.00 0.00 0.00 61.98 60.62 2nwt s VAL 13 Cb 0.00 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.85 2nwt s VAL 13 CO 0.00 0.36 0.72 -0.36 0.00 0.00 0.00 175.10 175.82 2nwt s PHE 14 N -0.69 3.12 -0.21 5.22 0.08 -1.26 0.10 117.98 124.34 2nwt s PHE 14 Ca 0.09 0.44 0.02 0.00 0.12 0.00 0.00 56.93 57.60 2nwt s PHE 14 Cb -0.09 -3.31 0.03 0.00 -0.57 0.00 0.00 43.02 39.09 2nwt s PHE 14 CO 0.01 -0.71 -0.16 0.15 -0.10 0.00 0.00 175.22 174.41 2nwt s LYS 15 N 2.95 2.71 1.10 0.44 1.02 -0.01 -4.91 119.74 123.04 2nwt s LYS 15 Ca 0.28 -1.02 -0.13 0.00 0.02 0.00 0.00 55.97 55.12 2nwt s LYS 15 Cb -0.14 -2.71 0.21 0.00 -0.52 0.00 0.00 37.83 34.68 2nwt s LYS 15 CO 0.16 -0.35 0.86 -0.35 -0.92 0.00 0.00 175.35 174.75 2nwt n PRO 16 N 4.55 -1.75 0.00 -1.68 -0.04 -1.26 0.51 135.00 135.33 2nwt n PRO 16 Ca -0.18 -0.47 0.11 0.00 -0.04 0.00 0.00 63.50 62.91 2nwt n PRO 16 Cb 0.47 -2.13 -0.09 0.00 -0.04 0.00 0.00 33.50 31.72 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 -4.08 0.63 -4.39 1.53 4.77 0.10 -4.66 117.00 110.92 2nwt n LEU 17 Ca 0.05 -0.24 -0.24 0.00 -0.03 0.00 0.00 56.01 55.55 2nwt n LEU 17 Cb 0.55 -0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.49 2nwt n LEU 17 CO 0.54 0.13 -0.50 -1.10 -1.33 0.00 0.00 177.39 175.13 2nwt s GLN 18 N -3.18 1.42 0.01 3.23 -0.21 -1.26 -5.10 119.66 114.57 2nwt s GLN 18 Ca 0.03 -1.50 -0.27 0.00 0.02 0.00 0.00 55.36 53.64 2nwt s GLN 18 Cb 0.15 -1.59 -0.04 0.00 1.00 0.00 0.00 33.01 32.53 2nwt s GLN 18 CO 0.86 0.33 0.83 0.15 -2.12 0.00 0.00 175.29 175.34 2nwt s LYS 19 N -2.83 4.52 0.10 2.91 3.01 -1.26 -5.03 119.74 121.16 2nwt s LYS 19 Ca 0.19 1.16 0.06 0.00 -1.01 0.00 0.00 55.97 56.38 2nwt s LYS 19 Cb -0.06 -3.42 -0.04 0.00 -1.01 0.00 0.00 37.83 33.30 2nwt s LYS 19 CO 0.09 0.11 -0.06 0.08 0.51 0.00 0.00 175.35 176.08 2nwt s VAL 20 N 0.52 3.63 -1.26 3.17 1.01 -1.26 -5.00 120.40 121.21 2nwt s VAL 20 Ca 0.43 -1.16 0.14 0.00 0.00 0.00 0.00 61.98 61.39 2nwt s VAL 20 Cb -0.20 -2.71 0.55 0.00 0.00 0.00 0.00 36.38 34.02 2nwt s VAL 20 CO 0.24 0.11 1.43 -0.67 0.00 0.00 0.00 175.10 176.21 2nwt n ASP 21 N 0.63 3.75 -4.22 3.32 2.03 -1.26 -4.89 116.55 115.90 2nwt n ASP 21 Ca -0.12 -2.33 -0.30 0.00 0.52 0.00 0.00 54.79 52.56 2nwt n ASP 21 Cb 0.52 -0.50 0.18 0.00 -0.72 0.00 0.00 41.12 40.60 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 2.51 0.27 -2.67 1.43 -1.26 -5.09 118.68 112.35 2nwt s LEU 22 Ca 0.39 0.38 0.08 0.00 -1.03 0.00 0.00 54.13 53.95 2nwt s LEU 22 Cb 0.25 -2.46 -0.05 0.00 0.03 0.00 0.00 46.19 43.95 2nwt s LEU 22 CO 0.19 -2.73 -0.10 -1.59 0.23 0.00 0.00 176.35 172.35 2nwt s LYS 23 N -5.80 1.53 -0.12 1.70 -2.85 -1.26 -5.08 119.74 107.86 2nwt s LYS 23 Ca 0.72 -1.75 -0.29 0.00 -1.00 0.00 0.00 55.97 53.65 2nwt s LYS 23 Cb -0.05 -1.24 -0.05 0.00 -2.06 0.00 0.00 37.83 34.42 2nwt s LYS 23 CO 0.53 0.11 1.75 -1.83 0.10 0.00 0.00 175.35 176.01 2nwt s GLU 24 N -3.68 3.91 0.00 1.78 -1.05 -1.26 -2.06 118.70 116.35 2nwt s GLU 24 Ca 0.28 2.03 0.00 0.00 -0.15 0.00 0.00 54.97 57.13 2nwt s GLU 24 Cb 0.02 -4.08 0.00 0.00 -0.44 0.00 0.00 34.13 29.63 2nwt s GLU 24 CO 0.11 -1.18 0.00 0.41 0.95 0.00 0.00 175.26 175.55 2nwt n GLY 25 N 4.58 1.33 3.72 -3.83 0.00 -1.26 -5.10 105.19 104.63 2nwt n GLY 25 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.28 4.62 -0.20 1.61 2.56 -0.87 -5.04 118.70 121.09 2nwt s GLU 26 Ca 0.00 1.39 -0.08 0.00 0.00 0.00 0.00 54.97 56.28 2nwt s GLU 26 Cb 0.00 -3.41 -0.04 0.00 2.00 0.00 0.00 34.13 32.68 2nwt s GLU 26 CO 0.00 0.10 0.08 1.03 -0.56 0.00 0.00 175.26 175.92 2nwt s ARG 27 N 0.45 3.96 0.14 4.30 3.00 -1.26 -5.05 118.95 124.49 2nwt s ARG 27 Ca 0.48 -0.34 0.02 0.00 0.00 0.00 0.00 55.73 55.89 2nwt s ARG 27 Cb -0.22 -3.30 -0.04 0.00 0.00 0.00 0.00 34.95 31.39 2nwt s ARG 27 CO 0.28 0.18 -0.04 0.14 0.00 0.00 0.00 175.30 175.86 2nwt s VAL 28 N 0.65 0.70 -0.02 3.52 -7.23 -1.26 -5.15 120.40 111.61 2nwt s VAL 28 Ca 0.04 -1.96 0.05 0.00 -1.81 0.00 0.00 61.98 58.30 2nwt s VAL 28 Cb -0.13 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 34.89 2nwt s VAL 28 CO 0.01 -0.68 -0.16 -0.54 -0.31 0.00 0.00 175.10 173.43 2nwt s LYS 29 N -3.87 2.35 -0.04 4.82 3.01 -1.26 -5.12 119.74 119.63 2nwt s LYS 29 Ca 0.18 -0.80 0.06 0.00 -1.01 0.00 0.00 55.97 54.40 2nwt s LYS 29 Cb 0.05 -2.30 -0.01 0.00 -1.01 0.00 0.00 37.83 34.56 2nwt s LYS 29 CO -0.00 0.59 -0.23 0.42 0.51 0.00 0.00 175.35 176.64 2nwt s ILE 30 N -0.80 1.82 0.24 2.17 1.01 -1.26 -5.12 121.20 119.27 2nwt s ILE 30 Ca 0.13 -0.96 -0.19 0.00 0.00 0.00 0.00 60.65 59.62 2nwt s ILE 30 Cb -0.11 -1.53 0.03 0.00 0.01 0.00 0.00 42.46 40.86 2nwt s ILE 30 CO 0.02 0.51 0.63 -1.59 0.00 0.00 0.00 174.94 174.52 2nwt s LYS 31 N -0.30 1.60 -0.35 2.79 -2.85 -1.26 -5.09 119.74 114.28 2nwt s LYS 31 Ca 0.02 -0.92 -0.23 0.00 -1.00 0.00 0.00 55.97 53.84 2nwt s LYS 31 Cb -0.11 0.57 0.01 0.00 -2.06 0.00 0.00 37.83 36.24 2nwt s LYS 31 CO 0.01 -0.71 0.77 -0.51 0.10 0.00 0.00 175.35 175.01 2nwt s LEU 32 N -2.90 4.13 0.58 2.77 2.01 -1.26 -4.97 118.68 119.04 2nwt s LEU 32 Ca 0.11 0.39 -0.20 0.00 0.01 0.00 0.00 54.13 54.44 2nwt s LEU 32 Cb -0.04 -3.02 -0.04 0.00 0.01 0.00 0.00 46.19 43.10 2nwt s LEU 32 CO 0.02 -0.70 1.22 1.21 1.01 0.00 0.00 176.35 179.11 2nwt n GLU 33 N 6.36 1.33 0.00 1.70 4.07 -1.26 -4.76 120.64 128.07 2nwt n GLU 33 Ca 0.03 0.50 0.00 0.00 -0.06 0.00 0.00 57.16 57.63 2nwt n GLU 33 Cb 0.48 -2.43 0.00 0.00 -0.06 0.00 0.00 31.44 29.44 2nwt n GLU 33 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2nwt n LEU 34 N -1.06 0.00 -4.72 4.31 4.77 -1.26 -4.92 117.00 114.13 2nwt n LEU 34 Ca 0.13 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.84 2nwt n LEU 34 Cb 0.46 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 2nwt n LEU 34 CO 0.51 -0.84 -0.19 -0.54 -1.33 0.00 0.00 177.39 175.00 2nwt s LYS 35 N 0.00 2.14 0.59 3.23 1.02 -1.26 -5.14 119.74 120.32 2nwt s LYS 35 Ca 0.00 -1.99 -0.06 0.00 0.02 0.00 0.00 55.97 53.93 2nwt s LYS 35 Cb 0.00 -1.84 0.00 0.00 -0.52 0.00 0.00 37.83 35.48 2nwt s LYS 35 CO 0.00 -0.15 0.91 0.54 -0.92 0.00 0.00 175.35 175.73 2nwt s VAL 36 N -2.67 3.77 1.02 3.17 0.11 -1.26 -5.06 120.40 119.48 2nwt s VAL 36 Ca 0.35 0.07 -0.11 0.00 -2.93 0.00 0.00 61.98 59.36 2nwt s VAL 36 Cb 0.05 -3.50 0.20 0.00 -1.53 0.00 0.00 36.38 31.61 2nwt s VAL 36 CO 0.19 -0.52 1.09 -1.61 -3.33 0.00 0.00 175.10 170.92 2nwt s GLU 37 N -5.00 0.19 1.40 1.54 8.01 -1.26 -5.01 118.70 118.57 2nwt s GLU 37 Ca 0.54 1.16 -0.23 0.00 0.01 0.00 0.00 54.97 56.45 2nwt s GLU 37 Cb -0.11 -1.66 0.36 0.00 -4.31 0.00 0.00 34.13 28.41 2nwt s GLU 37 CO 0.46 -3.07 0.97 -1.25 0.01 0.00 0.00 175.26 172.37 2nwt s PRO 38 N -4.60 -2.79 0.97 0.39 0.04 -1.26 -5.03 135.00 122.73 2nwt s PRO 38 Ca 0.67 0.00 -0.15 0.00 0.04 0.00 0.00 61.00 61.56 2nwt s PRO 38 Cb -0.23 -1.41 0.18 0.00 0.04 0.00 0.00 34.50 33.09 2nwt s PRO 38 CO 0.61 -4.75 1.22 0.96 0.04 0.00 0.00 177.00 175.07 2nwt s ILE 39 N -2.44 1.93 0.64 0.56 -4.36 -1.26 -5.02 121.20 111.24 2nwt s ILE 39 Ca 0.69 0.00 -0.16 0.00 -0.26 0.00 0.00 60.65 60.92 2nwt s ILE 39 Cb -0.11 -2.85 -0.01 0.00 1.25 0.00 0.00 42.46 40.75 2nwt s ILE 39 CO 0.57 0.00 1.13 -1.81 0.24 0.00 0.00 174.94 175.06 2nwt s ASP 40 N -4.46 5.14 0.40 4.36 1.01 -1.26 -5.01 116.67 116.86 2nwt s ASP 40 Ca 0.69 2.09 -0.23 0.00 0.71 0.00 0.00 52.55 55.81 2nwt s ASP 40 Cb -0.09 -2.56 -0.10 0.00 1.01 0.00 0.00 42.92 41.18 2nwt s ASP 40 CO 0.53 -1.61 0.97 -1.48 0.21 0.00 0.00 175.17 173.79 2nwt s LEU 41 N -4.65 4.06 0.00 1.23 0.05 -1.26 -5.05 118.68 113.06 2nwt s LEU 41 Ca 0.69 1.80 0.00 0.00 0.05 0.00 0.00 54.13 56.67 2nwt s LEU 41 Cb -0.22 -4.36 0.00 0.00 -2.05 0.00 0.00 46.19 39.55 2nwt s LEU 41 CO 0.39 -0.35 0.00 0.61 -0.55 0.00 0.00 176.35 176.45 2nwt n GLY 42 N -0.16 5.31 3.65 -3.48 0.00 -1.26 -5.06 105.19 104.18 2nwt n GLY 42 Ca 0.06 -1.42 -0.51 0.00 0.00 0.00 0.00 46.02 44.15 2nwt n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2nwt n GLU 43 N 0.00 1.76 -2.33 1.61 4.71 -1.26 -4.89 120.64 120.23 2nwt n GLU 43 Ca 0.00 0.62 -0.42 0.00 -0.01 0.00 0.00 57.16 57.34 2nwt n GLU 43 Cb 0.00 -2.52 -0.03 0.00 -1.01 0.00 0.00 31.44 27.88 2nwt n GLU 43 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2nwt s PRO 44 N 4.44 4.30 0.29 3.49 0.04 -1.26 -5.02 135.00 141.28 2nwt s PRO 44 Ca 0.97 1.82 -0.13 0.00 0.04 0.00 0.00 61.00 63.71 2nwt s PRO 44 Cb -0.79 -3.61 -0.08 0.00 0.04 0.00 0.00 34.50 30.06 2nwt s PRO 44 CO 0.54 -0.55 0.67 0.08 0.04 0.00 0.00 177.00 177.78 2nwt s VAL 45 N 2.54 4.77 0.35 -0.36 1.01 -1.26 -5.07 120.40 122.37 2nwt s VAL 45 Ca 0.60 0.78 -0.03 0.00 0.00 0.00 0.00 61.98 63.33 2nwt s VAL 45 Cb -0.28 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2nwt s VAL 45 CO 0.23 -0.16 0.59 -0.94 0.00 0.00 0.00 175.10 174.83 2nwt s SER 46 N -2.32 6.35 -0.71 3.32 1.04 -1.26 -5.03 113.70 115.08 2nwt s SER 46 Ca 0.52 0.64 -0.20 0.00 0.48 0.00 0.00 55.95 57.39 2nwt s SER 46 Cb -0.10 -2.11 0.11 0.00 0.10 0.00 0.00 66.02 64.01 2nwt s SER 46 CO 0.19 -0.31 0.90 -0.69 0.98 0.00 0.00 173.24 174.31 2nwt s VAL 47 N -2.30 4.67 -2.19 5.02 1.01 -1.26 -4.86 120.40 120.48 2nwt s VAL 47 Ca 0.43 -1.01 0.28 0.00 0.00 0.00 0.00 61.98 61.67 2nwt s VAL 47 Cb -0.10 -4.63 0.69 0.00 0.00 0.00 0.00 36.38 32.34 2nwt s VAL 47 CO 0.35 -1.33 1.93 -1.84 0.00 0.00 0.00 175.10 174.21 2nwt n GLU 48 N 6.72 1.29 0.12 2.72 0.28 -1.26 -3.94 120.64 126.58 2nwt n GLU 48 Ca 0.02 -0.43 0.20 0.00 -0.16 0.00 0.00 57.16 56.79 2nwt n GLU 48 Cb 0.45 -1.45 0.75 0.00 1.43 0.00 0.00 31.44 32.62 2nwt n GLU 48 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2nwt h GLU 49 N 1.00 0.00 -0.33 3.44 5.08 -2.05 0.23 114.58 121.96 2nwt h GLU 49 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2nwt h GLU 49 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2nwt h GLU 49 CO 0.00 0.00 0.00 0.44 -1.00 0.00 0.00 179.01 178.45 2nwt n ILE 50 N -3.61 0.00 -2.04 3.13 -5.35 -1.25 -4.88 119.36 105.36 2nwt n ILE 50 Ca 0.06 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 62.14 2nwt n ILE 50 Cb 0.60 -0.20 -0.02 0.00 -1.74 0.00 0.00 39.64 38.29 2nwt n ILE 50 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2nwt s LYS 51 N -1.63 4.29 0.03 6.28 2.20 0.82 -5.05 119.74 126.68 2nwt s LYS 51 Ca 0.00 2.30 0.02 0.00 -0.36 0.00 0.00 55.97 57.93 2nwt s LYS 51 Cb 0.00 -3.04 -0.02 0.00 -1.51 0.00 0.00 37.83 33.26 2nwt s LYS 51 CO 0.00 -0.28 -0.07 -1.59 -0.36 0.00 0.00 175.35 173.05 2nwt s LYS 52 N -1.88 0.48 0.05 4.03 -2.85 -1.26 -5.14 119.74 113.17 2nwt s LYS 52 Ca 0.50 -0.63 -0.28 0.00 -1.00 0.00 0.00 55.97 54.56 2nwt s LYS 52 Cb -0.41 -0.28 -0.05 0.00 -2.06 0.00 0.00 37.83 35.03 2nwt s LYS 52 CO 0.55 0.05 0.90 -1.50 0.10 0.00 0.00 175.35 175.45 2nwt s ILE 53 N -1.13 4.71 -1.09 3.79 2.07 -1.26 -4.96 121.20 123.34 2nwt s ILE 53 Ca -0.08 1.91 -0.22 0.00 -1.41 0.00 0.00 60.65 60.84 2nwt s ILE 53 Cb -0.08 -4.25 -0.00 0.00 0.13 0.00 0.00 42.46 38.26 2nwt s ILE 53 CO 0.00 0.28 1.76 -0.60 -1.91 0.00 0.00 174.94 174.47 2nwt s ARG 54 N 0.35 3.14 0.06 3.50 3.52 -1.26 -4.95 118.95 123.32 2nwt s ARG 54 Ca 0.45 -1.10 -0.03 0.00 -0.13 0.00 0.00 55.73 54.93 2nwt s ARG 54 Cb -0.21 -5.29 -0.05 0.00 -1.56 0.00 0.00 34.95 27.84 2nwt s ARG 54 CO 0.27 -2.95 0.27 0.34 -0.81 0.00 0.00 175.30 172.41 2nwt s ASP 55 N 6.01 6.43 -0.11 -2.12 2.15 -1.26 -5.09 116.67 122.67 2nwt s ASP 55 Ca 0.60 0.43 -0.02 0.00 0.43 0.00 0.00 52.55 53.99 2nwt s ASP 55 Cb -0.01 -2.03 0.04 0.00 -0.30 0.00 0.00 42.92 40.62 2nwt s ASP 55 CO 0.02 0.17 0.01 -0.83 -0.17 0.00 0.00 175.17 174.37 2nwt s GLY 56 N -2.23 0.53 0.14 2.66 0.00 -1.26 -5.14 107.32 102.02 2nwt s GLY 56 Ca 0.34 -0.28 0.06 0.00 0.00 0.00 0.00 44.72 44.83 2nwt s GLY 56 CO 0.23 1.24 -0.13 -1.08 0.00 0.00 0.00 173.10 173.36 2nwt s THR 57 N 1.95 1.33 0.64 0.90 -1.32 -1.26 -5.15 115.64 112.73 2nwt s THR 57 Ca 0.03 -1.87 -0.12 0.00 -1.21 0.00 0.00 61.69 58.53 2nwt s THR 57 Cb -0.14 -1.67 -0.02 0.00 -1.51 0.00 0.00 72.50 69.16 2nwt s THR 57 CO -0.06 -0.53 1.04 0.86 -2.21 0.00 0.00 174.62 173.72 2nwt s TRP 58 N -2.57 3.38 0.91 9.09 -0.00 -1.26 -5.02 118.94 123.47 2nwt s TRP 58 Ca 0.13 1.37 -0.11 0.00 -0.00 0.00 0.00 56.10 57.49 2nwt s TRP 58 Cb -0.02 -2.81 0.13 0.00 -0.00 0.00 0.00 33.47 30.77 2nwt s TRP 58 CO 0.03 -0.90 1.08 -1.33 -0.00 0.00 0.00 176.95 175.83 2nwt n MET 59 N -2.76 -0.37 -0.92 5.86 2.81 -1.26 -4.99 117.12 115.49 2nwt n MET 59 Ca 0.07 -0.04 -0.29 0.00 -1.81 0.00 0.00 57.70 55.63 2nwt n MET 59 Cb 0.54 -2.34 0.22 0.00 -0.71 0.00 0.00 33.22 30.93 2nwt n MET 59 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2nwt s SER 60 N -2.52 1.65 0.00 7.83 1.04 -1.26 -4.88 113.70 115.57 2nwt s SER 60 Ca 0.67 1.20 0.05 0.00 0.48 0.00 0.00 55.95 58.35 2nwt s SER 60 Cb -0.24 -1.86 0.28 0.00 0.10 0.00 0.00 66.02 64.31 2nwt s SER 60 CO 0.58 -3.74 1.02 -1.20 0.98 0.00 0.00 173.24 170.89 2nwt n SER 61 N -4.58 0.00 -1.71 7.02 7.64 -1.26 -4.97 113.62 115.76 2nwt n SER 61 Ca 0.05 -1.50 0.00 0.00 1.01 0.00 0.00 58.87 58.43 2nwt n SER 61 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 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 -0.59 -2.24 -4.61 -3.43 7.99 -1.26 -4.76 117.00 108.11 2nwt n LEU 62 Ca 0.04 3.26 -0.43 0.00 -0.01 0.00 0.00 56.01 58.87 2nwt n LEU 62 Cb 0.02 -3.34 -0.03 0.00 -0.11 0.00 0.00 43.42 39.96 2nwt n LEU 62 CO 0.03 0.21 1.50 -0.70 -1.51 0.00 0.00 177.39 176.91 2nwt s GLU 63 N -3.98 3.49 0.30 3.23 -6.30 -1.26 -4.85 118.70 109.33 2nwt s GLU 63 Ca 0.00 1.55 0.25 0.00 -2.50 0.00 0.00 54.97 54.27 2nwt s GLU 63 Cb 0.00 -4.15 0.71 0.00 0.00 0.00 0.00 34.13 30.68 2nwt s GLU 63 CO 0.00 -1.67 1.73 0.45 0.02 0.00 0.00 175.26 175.79 2nwt h HIS 64 N 12.25 0.00 -1.97 5.30 3.86 -2.04 -3.49 115.15 129.06 2nwt h HIS 64 Ca -0.34 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 2nwt h HIS 64 Cb 1.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.64 2nwt h HIS 64 CO 0.94 0.00 -0.40 1.58 0.86 0.00 0.00 177.93 180.91 2nwt n HIS 65 N -2.55 -2.07 -3.10 2.45 -0.00 -1.26 -4.98 115.22 103.72 2nwt n HIS 65 Ca 0.05 1.14 -0.36 0.00 0.46 0.00 0.00 57.72 59.00 2nwt n HIS 65 Cb 0.44 -2.53 -0.06 0.00 -0.12 0.00 0.00 29.99 27.72 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 -1.01 3.64 0.06 1.57 3.76 -1.26 -4.85 115.29 117.20 2nwt s HIS 66 Ca 0.00 1.39 0.00 0.00 -0.15 0.00 0.00 55.06 56.30 2nwt s HIS 66 Cb 0.00 -2.62 0.00 0.00 1.11 0.00 0.00 32.58 31.07 2nwt s HIS 66 CO 0.00 0.32 0.00 1.58 -0.85 0.00 0.00 174.74 175.79 2nwt n HIS 67 N 0.67 -1.34 -1.78 1.40 -0.00 -1.26 -4.93 115.22 107.97 2nwt n HIS 67 Ca -0.02 0.79 -0.41 0.00 -0.00 0.00 0.00 57.72 58.08 2nwt n HIS 67 Cb 0.51 -2.41 -0.01 0.00 -0.00 0.00 0.00 29.99 28.09 2nwt n HIS 67 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2nwt s HIS 68 N -0.31 2.66 0.00 1.57 2.46 -1.26 -5.24 115.29 115.16 2nwt s HIS 68 Ca 0.00 0.94 0.00 0.00 0.47 0.00 0.00 55.06 56.47 2nwt s HIS 68 Cb 0.00 -4.06 0.00 0.00 -0.13 0.00 0.00 32.58 28.39 2nwt s HIS 68 CO 0.00 -3.38 0.35 -2.39 -2.47 0.00 0.00 174.74 166.86