#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 4.39 0.01 2.12 0.04 -1.26 -5.07 135.00 135.24 2nwt s PRO 2 Ca 0.00 0.76 0.03 0.00 0.04 0.00 0.00 61.00 61.83 2nwt s PRO 2 Cb 0.00 -3.42 -0.01 0.00 0.04 0.00 0.00 34.50 31.11 2nwt s PRO 2 CO 0.00 0.16 -0.09 0.21 0.04 0.00 0.00 177.00 177.32 2nwt s LYS 3 N 0.52 0.67 -0.07 4.56 2.36 -1.26 -5.13 119.74 121.39 2nwt s LYS 3 Ca 0.34 -0.46 -0.28 0.00 -2.55 0.00 0.00 55.97 53.01 2nwt s LYS 3 Cb -0.17 -0.62 -0.02 0.00 -1.05 0.00 0.00 37.83 35.97 2nwt s LYS 3 CO 0.16 0.16 0.94 0.42 1.55 0.00 0.00 175.35 178.58 2nwt s ILE 4 N -0.54 4.85 0.23 5.43 1.09 -1.26 -5.04 121.20 125.97 2nwt s ILE 4 Ca 0.00 1.93 0.08 0.00 -1.10 0.00 0.00 60.65 61.57 2nwt s ILE 4 Cb -0.05 -4.26 -0.04 0.00 -1.06 0.00 0.00 42.46 37.04 2nwt s ILE 4 CO 0.00 0.09 0.03 -0.63 -0.10 0.00 0.00 174.94 174.33 2nwt s ILE 5 N 1.56 3.72 -0.05 2.92 1.01 -1.26 -5.14 121.20 123.96 2nwt s ILE 5 Ca 0.47 -1.66 0.05 0.00 0.00 0.00 0.00 60.65 59.51 2nwt s ILE 5 Cb -0.19 -2.96 -0.00 0.00 0.01 0.00 0.00 42.46 39.32 2nwt s ILE 5 CO 0.21 -0.28 -0.20 -1.61 0.00 0.00 0.00 174.94 173.05 2nwt s GLU 6 N -3.47 2.16 0.23 2.79 2.02 -1.26 -5.06 118.70 116.11 2nwt s GLU 6 Ca 0.30 -0.73 0.03 0.00 0.02 0.00 0.00 54.97 54.60 2nwt s GLU 6 Cb -0.08 -1.83 -0.05 0.00 0.10 0.00 0.00 34.13 32.28 2nwt s GLU 6 CO 0.20 0.28 0.01 0.00 0.02 0.00 0.00 175.26 175.77 2nwt s ALA 7 N 0.02 1.80 -0.22 5.21 0.00 -1.26 0.17 121.76 127.49 2nwt s ALA 7 Ca -0.06 -1.77 -0.04 0.00 0.00 0.00 0.00 51.96 50.09 2nwt s ALA 7 Cb -0.13 0.54 -0.01 0.00 0.00 0.00 0.00 23.12 23.51 2nwt s ALA 7 CO 0.03 -0.27 -0.03 0.14 0.00 0.00 0.00 175.76 175.63 2nwt s VAL 8 N -3.45 3.53 -0.34 0.00 -7.23 0.14 -4.89 120.40 108.17 2nwt s VAL 8 Ca 0.29 -0.44 -0.26 0.00 -1.81 0.00 0.00 61.98 59.75 2nwt s VAL 8 Cb 0.06 -2.61 0.01 0.00 0.56 0.00 0.00 36.38 34.41 2nwt s VAL 8 CO 0.09 0.42 0.95 -0.47 -0.31 0.00 0.00 175.10 175.78 2nwt s TYR 9 N 1.37 3.13 0.00 2.82 5.04 -1.26 -1.73 117.35 126.72 2nwt s TYR 9 Ca 0.04 0.93 0.00 0.00 -2.44 0.00 0.00 57.07 55.61 2nwt s TYR 9 Cb -0.14 -3.57 0.00 0.00 0.35 0.00 0.00 41.96 38.60 2nwt s TYR 9 CO -0.01 -0.75 0.00 0.39 -1.34 0.00 0.00 175.55 173.84 2nwt n GLU 10 N 6.68 0.36 -0.27 4.97 1.02 0.24 -4.87 120.64 128.77 2nwt n GLU 10 Ca 0.08 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.20 2nwt n GLU 10 Cb 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.87 2nwt n GLU 10 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2nwt n ASN 11 N -2.95 1.91 0.00 1.62 5.15 -1.26 -2.50 115.26 117.23 2nwt n ASN 11 Ca 0.00 -1.69 0.00 0.00 -0.60 0.00 0.00 54.58 52.29 2nwt n ASN 11 Cb 0.00 -0.46 0.00 0.00 -0.53 0.00 0.00 39.78 38.79 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 2.33 0.97 3.45 8.20 0.00 -1.26 -5.12 105.19 113.76 2nwt n GLY 12 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.75 2.84 -0.27 1.61 1.01 -1.04 -5.10 120.40 117.69 2nwt s VAL 13 Ca 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 60.93 2nwt s VAL 13 Cb 0.00 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.25 2nwt s VAL 13 CO 0.00 0.45 0.01 -0.36 0.00 0.00 0.00 175.10 175.20 2nwt s PHE 14 N -0.83 3.11 -0.21 5.22 0.08 -1.26 0.83 117.98 124.92 2nwt s PHE 14 Ca 0.13 -1.27 0.02 0.00 0.12 0.00 0.00 56.93 55.93 2nwt s PHE 14 Cb -0.10 -2.16 0.03 0.00 -0.57 0.00 0.00 43.02 40.22 2nwt s PHE 14 CO 0.03 -0.65 -0.17 0.15 -0.10 0.00 0.00 175.22 174.48 2nwt s LYS 15 N 1.41 2.72 1.08 0.44 1.02 -0.71 -4.95 119.74 120.75 2nwt s LYS 15 Ca 0.01 -1.02 -0.12 0.00 0.02 0.00 0.00 55.97 54.86 2nwt s LYS 15 Cb -0.17 -2.69 0.23 0.00 -0.52 0.00 0.00 37.83 34.69 2nwt s LYS 15 CO -0.01 -0.34 1.06 -1.25 -0.92 0.00 0.00 175.35 173.89 2nwt s PRO 16 N 1.22 -0.23 -0.00 -1.68 0.04 -1.26 0.25 135.00 133.33 2nwt s PRO 16 Ca -0.00 0.82 0.08 0.00 0.04 0.00 0.00 61.00 61.94 2nwt s PRO 16 Cb -0.16 -1.64 -0.10 0.00 0.04 0.00 0.00 34.50 32.65 2nwt s PRO 16 CO -0.10 -3.26 0.27 1.28 0.04 0.00 0.00 177.00 175.23 2nwt n LEU 17 N -4.59 0.21 -4.60 -3.56 4.77 0.13 -4.69 117.00 104.66 2nwt n LEU 17 Ca 0.05 -0.29 -0.35 0.00 -0.03 0.00 0.00 56.01 55.39 2nwt n LEU 17 Cb 0.55 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.54 2nwt n LEU 17 CO 0.56 0.05 -0.26 -1.10 -1.33 0.00 0.00 177.39 175.32 2nwt s GLN 18 N -2.09 3.92 0.30 3.23 -0.21 -1.25 -5.05 119.66 118.52 2nwt s GLN 18 Ca 0.00 -0.37 -0.29 0.00 0.02 0.00 0.00 55.36 54.72 2nwt s GLN 18 Cb 0.06 -3.22 -0.10 0.00 1.00 0.00 0.00 33.01 30.75 2nwt s GLN 18 CO 0.33 0.21 1.18 -1.59 -2.12 0.00 0.00 175.29 173.29 2nwt s LYS 19 N 0.55 4.51 -0.00 2.91 -2.85 -1.26 -4.97 119.74 118.63 2nwt s LYS 19 Ca 0.03 1.97 0.03 0.00 -1.00 0.00 0.00 55.97 56.99 2nwt s LYS 19 Cb -0.13 -3.12 -0.01 0.00 -2.06 0.00 0.00 37.83 32.51 2nwt s LYS 19 CO 0.01 0.04 -0.09 0.54 0.10 0.00 0.00 175.35 175.95 2nwt s VAL 20 N -1.16 0.71 -0.98 1.79 0.11 -1.26 -5.06 120.40 114.55 2nwt s VAL 20 Ca 0.47 -0.46 -0.13 0.00 -2.93 0.00 0.00 61.98 58.93 2nwt s VAL 20 Cb -0.35 -0.61 0.22 0.00 -1.53 0.00 0.00 36.38 34.11 2nwt s VAL 20 CO 0.46 0.15 1.01 -0.62 -3.33 0.00 0.00 175.10 172.77 2nwt s ASP 21 N -0.34 6.95 0.46 3.54 2.15 -1.26 -4.99 116.67 123.17 2nwt s ASP 21 Ca 0.03 -2.90 0.05 0.00 0.43 0.00 0.00 52.55 50.15 2nwt s ASP 21 Cb -0.04 -2.26 -0.03 0.00 -0.30 0.00 0.00 42.92 40.28 2nwt s ASP 21 CO -0.00 -0.59 0.11 -1.48 -0.17 0.00 0.00 175.17 173.04 2nwt s LEU 22 N 0.31 2.73 0.11 -1.34 -0.00 -1.26 -5.16 118.68 114.07 2nwt s LEU 22 Ca 0.27 -1.37 0.08 0.00 -0.00 0.00 0.00 54.13 53.11 2nwt s LEU 22 Cb -0.08 -1.03 -0.04 0.00 -0.00 0.00 0.00 46.19 45.04 2nwt s LEU 22 CO -0.08 -0.70 -0.12 -0.54 -0.00 0.00 0.00 176.35 174.91 2nwt s LYS 23 N -3.90 2.01 0.18 1.48 3.01 -1.26 -5.09 119.74 116.18 2nwt s LYS 23 Ca 0.27 -1.09 -0.31 0.00 -1.01 0.00 0.00 55.97 53.83 2nwt s LYS 23 Cb 0.04 -2.23 -0.09 0.00 -1.01 0.00 0.00 37.83 34.53 2nwt s LYS 23 CO 0.15 0.49 1.41 -1.21 0.51 0.00 0.00 175.35 176.70 2nwt s GLU 24 N -2.24 4.31 0.00 1.68 2.02 -1.26 -1.87 118.70 121.34 2nwt s GLU 24 Ca 0.21 2.18 0.00 0.00 0.02 0.00 0.00 54.97 57.38 2nwt s GLU 24 Cb -0.11 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 30.94 2nwt s GLU 24 CO 0.13 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 175.41 2nwt n GLY 25 N 2.89 0.60 3.65 -1.39 0.00 -1.26 -5.01 105.19 104.67 2nwt n GLY 25 Ca 0.09 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.04 4.08 -0.12 1.61 2.12 -0.78 -4.97 118.70 118.61 2nwt s GLU 26 Ca 0.00 1.59 -0.25 0.00 0.36 0.00 0.00 54.97 56.67 2nwt s GLU 26 Cb 0.00 -3.85 -0.02 0.00 0.26 0.00 0.00 34.13 30.52 2nwt s GLU 26 CO 0.00 -0.91 0.79 0.50 -0.54 0.00 0.00 175.26 175.10 2nwt s ARG 27 N 3.88 4.37 0.23 4.30 3.52 -1.26 -5.03 118.95 128.96 2nwt s ARG 27 Ca 0.59 0.99 0.03 0.00 -0.13 0.00 0.00 55.73 57.20 2nwt s ARG 27 Cb -0.22 -3.52 -0.05 0.00 -1.56 0.00 0.00 34.95 29.60 2nwt s ARG 27 CO 0.20 -0.16 0.03 0.14 -0.81 0.00 0.00 175.30 174.70 2nwt s VAL 28 N 1.55 0.85 -0.05 7.11 -7.23 -1.26 -5.15 120.40 116.21 2nwt s VAL 28 Ca 0.39 -2.01 0.05 0.00 -1.81 0.00 0.00 61.98 58.59 2nwt s VAL 28 Cb -0.17 -2.42 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 2nwt s VAL 28 CO 0.16 -0.24 -0.18 -0.54 -0.31 0.00 0.00 175.10 173.98 2nwt s LYS 29 N -3.92 2.51 -0.01 4.82 -0.14 -1.26 -5.12 119.74 116.62 2nwt s LYS 29 Ca 0.31 -0.78 0.08 0.00 -1.36 0.00 0.00 55.97 54.21 2nwt s LYS 29 Cb 0.07 -2.29 -0.02 0.00 -1.68 0.00 0.00 37.83 33.90 2nwt s LYS 29 CO 0.10 0.53 -0.25 0.42 -0.76 0.00 0.00 175.35 175.39 2nwt s ILE 30 N -0.50 1.98 -0.04 2.17 -1.09 -1.26 -5.08 121.20 117.38 2nwt s ILE 30 Ca 0.06 -1.10 -0.25 0.00 -2.23 0.00 0.00 60.65 57.13 2nwt s ILE 30 Cb -0.11 -1.65 0.05 0.00 -1.58 0.00 0.00 42.46 39.17 2nwt s ILE 30 CO 0.01 0.53 0.54 -0.75 -1.23 0.00 0.00 174.94 174.04 2nwt s LYS 31 N -0.67 0.91 -0.28 2.79 2.20 -1.26 -5.12 119.74 118.31 2nwt s LYS 31 Ca 0.10 0.09 -0.18 0.00 -0.36 0.00 0.00 55.97 55.62 2nwt s LYS 31 Cb -0.10 0.42 -0.02 0.00 -1.51 0.00 0.00 37.83 36.62 2nwt s LYS 31 CO -0.01 -0.27 0.51 -0.51 -0.36 0.00 0.00 175.35 174.71 2nwt s LEU 32 N -1.23 4.12 0.00 5.43 1.43 -1.26 -5.06 118.68 122.10 2nwt s LEU 32 Ca -0.12 0.38 -0.15 0.00 -1.03 0.00 0.00 54.13 53.21 2nwt s LEU 32 Cb -0.02 -2.64 0.22 0.00 0.03 0.00 0.00 46.19 43.78 2nwt s LEU 32 CO 0.08 -0.34 1.30 -0.62 0.23 0.00 0.00 176.35 177.00 2nwt n GLU 33 N 5.60 -1.18 0.00 1.70 1.02 -1.26 -4.89 120.64 121.63 2nwt n GLU 33 Ca -0.04 -2.14 0.00 0.00 -0.02 0.00 0.00 57.16 54.96 2nwt n GLU 33 Cb 0.50 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 2nwt n GLU 33 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2nwt n LEU 34 N 0.00 0.00 -4.92 -4.62 4.77 -1.26 -4.82 117.00 106.15 2nwt n LEU 34 Ca 0.17 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.89 2nwt n LEU 34 Cb 0.58 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.69 2nwt n LEU 34 CO 0.42 -0.54 0.47 -1.59 -1.33 0.00 0.00 177.39 174.82 2nwt s LYS 35 N 0.00 3.03 -0.11 3.23 -2.85 -1.26 -5.08 119.74 116.70 2nwt s LYS 35 Ca 0.00 -0.08 -0.10 0.00 -1.00 0.00 0.00 55.97 54.79 2nwt s LYS 35 Cb 0.00 -2.34 -0.05 0.00 -2.06 0.00 0.00 37.83 33.38 2nwt s LYS 35 CO 0.00 -0.55 0.23 0.08 0.10 0.00 0.00 175.35 175.21 2nwt s VAL 36 N -2.87 5.35 0.25 1.79 1.01 -1.26 -5.09 120.40 119.58 2nwt s VAL 36 Ca 0.52 0.41 -0.09 0.00 0.00 0.00 0.00 61.98 62.82 2nwt s VAL 36 Cb -0.10 -3.52 -0.07 0.00 0.00 0.00 0.00 36.38 32.68 2nwt s VAL 36 CO 0.44 0.54 0.57 -1.83 0.00 0.00 0.00 175.10 174.81 2nwt s GLU 37 N -0.53 3.78 1.04 2.72 -1.05 -1.26 -5.09 118.70 118.31 2nwt s GLU 37 Ca 0.16 0.25 -0.15 0.00 -0.15 0.00 0.00 54.97 55.08 2nwt s GLU 37 Cb -0.13 -2.63 0.21 0.00 -0.44 0.00 0.00 34.13 31.14 2nwt s GLU 37 CO 0.05 0.28 1.14 -1.25 0.95 0.00 0.00 175.26 176.43 2nwt s PRO 38 N -3.00 0.11 -0.03 -4.83 0.04 -1.26 -5.08 135.00 120.95 2nwt s PRO 38 Ca 0.47 0.12 0.04 0.00 0.04 0.00 0.00 61.00 61.66 2nwt s PRO 38 Cb -0.11 -1.74 -0.00 0.00 0.04 0.00 0.00 34.50 32.69 2nwt s PRO 38 CO 0.23 -2.86 -0.14 0.96 0.04 0.00 0.00 177.00 175.23 2nwt s ILE 39 N -3.21 1.13 0.00 0.56 -4.36 -1.26 -5.09 121.20 108.97 2nwt s ILE 39 Ca 0.68 -0.56 0.00 0.00 -0.26 0.00 0.00 60.65 60.51 2nwt s ILE 39 Cb -0.12 -0.98 0.00 0.00 1.25 0.00 0.00 42.46 42.61 2nwt s ILE 39 CO 0.55 0.33 0.00 -0.67 0.24 0.00 0.00 174.94 175.39 2nwt n ASP 40 N 3.13 -2.16 -4.93 4.36 2.03 -1.26 -4.84 116.55 112.88 2nwt n ASP 40 Ca -0.17 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 54.94 2nwt n ASP 40 Cb 0.54 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.92 2nwt n ASP 40 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2nwt s LEU 41 N 0.00 3.67 0.00 -2.67 0.05 -1.26 -5.13 118.68 113.34 2nwt s LEU 41 Ca 0.00 -0.45 0.00 0.00 0.05 0.00 0.00 54.13 53.73 2nwt s LEU 41 Cb 0.00 -2.43 0.00 0.00 -2.05 0.00 0.00 46.19 41.71 2nwt s LEU 41 CO 0.00 -0.53 0.00 0.61 -0.55 0.00 0.00 176.35 175.88 2nwt n GLY 42 N -1.59 0.82 3.31 -3.48 0.00 -1.26 -5.03 105.19 97.96 2nwt n GLY 42 Ca 0.02 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 2nwt n GLY 42 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nwt s GLU 43 N 2.46 2.69 -0.34 1.61 2.02 -1.26 -5.06 118.70 120.82 2nwt s GLU 43 Ca 0.00 -1.22 -0.29 0.00 0.02 0.00 0.00 54.97 53.48 2nwt s GLU 43 Cb 0.00 -3.65 0.01 0.00 0.10 0.00 0.00 34.13 30.59 2nwt s GLU 43 CO 0.00 -0.76 1.18 -2.14 0.02 0.00 0.00 175.26 173.56 2nwt s PRO 44 N 1.47 3.95 0.22 0.39 0.02 -1.26 -5.04 135.00 134.75 2nwt s PRO 44 Ca 0.01 1.07 0.05 0.00 0.02 0.00 0.00 61.00 62.15 2nwt s PRO 44 Cb -0.20 -3.82 -0.03 0.00 0.02 0.00 0.00 34.50 30.46 2nwt s PRO 44 CO 0.04 -1.07 0.28 0.54 -0.33 0.00 0.00 177.00 176.46 2nwt s VAL 45 N 4.08 4.97 0.29 3.83 0.11 -1.26 -5.12 120.40 127.30 2nwt s VAL 45 Ca 0.50 -1.05 0.06 0.00 -2.93 0.00 0.00 61.98 58.56 2nwt s VAL 45 Cb -0.13 -3.65 -0.02 0.00 -1.53 0.00 0.00 36.38 31.05 2nwt s VAL 45 CO 0.21 -0.27 0.40 -0.44 -3.33 0.00 0.00 175.10 171.67 2nwt s SER 46 N -3.70 6.05 -0.12 3.54 0.01 -1.26 -5.11 113.70 113.10 2nwt s SER 46 Ca 0.33 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.50 2nwt s SER 46 Cb -0.09 -1.49 0.02 0.00 0.21 0.00 0.00 66.02 64.67 2nwt s SER 46 CO 0.27 -0.25 -0.12 0.54 0.41 0.00 0.00 173.24 174.09 2nwt s VAL 47 N -2.10 1.32 0.00 3.43 0.11 -1.26 -4.94 120.40 116.97 2nwt s VAL 47 Ca 0.39 -0.49 0.00 0.00 -2.93 0.00 0.00 61.98 58.95 2nwt s VAL 47 Cb -0.09 -1.26 0.00 0.00 -1.53 0.00 0.00 36.38 33.50 2nwt s VAL 47 CO 0.30 0.41 0.00 1.21 -3.33 0.00 0.00 175.10 173.69 2nwt n GLU 48 N 4.69 0.00 0.08 1.54 0.00 -1.26 -4.89 120.64 120.80 2nwt n GLU 48 Ca -0.16 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.01 2nwt n GLU 48 Cb 0.50 -0.38 -0.04 0.00 0.00 0.00 0.00 31.44 31.52 2nwt n GLU 48 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2nwt h GLU 49 N 0.00 0.00 -0.02 5.31 4.81 -2.07 -3.29 114.58 119.32 2nwt h GLU 49 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2nwt h GLU 49 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2nwt h GLU 49 CO 0.00 0.39 0.00 -0.89 -0.73 0.00 0.00 179.01 177.78 2nwt n ILE 50 N -3.03 0.03 -3.70 2.32 5.41 -1.26 -4.80 119.36 114.32 2nwt n ILE 50 Ca -0.04 -0.09 -0.36 0.00 1.00 0.00 0.00 62.75 63.25 2nwt n ILE 50 Cb 0.80 -0.15 -0.07 0.00 -0.71 0.00 0.00 39.64 39.51 2nwt n ILE 50 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2nwt s LYS 51 N -1.97 3.90 -0.05 0.38 2.20 -1.24 -5.09 119.74 117.86 2nwt s LYS 51 Ca 0.39 -0.02 0.05 0.00 -0.36 0.00 0.00 55.97 56.03 2nwt s LYS 51 Cb 0.19 -3.31 -0.01 0.00 -1.51 0.00 0.00 37.83 33.19 2nwt s LYS 51 CO 0.31 0.51 -0.20 -1.59 -0.36 0.00 0.00 175.35 174.02 2nwt s LYS 52 N -0.32 2.10 -0.06 4.03 -2.85 -1.26 -5.05 119.74 116.33 2nwt s LYS 52 Ca 0.15 -0.73 -0.01 0.00 -1.00 0.00 0.00 55.97 54.38 2nwt s LYS 52 Cb -0.13 -1.80 -0.04 0.00 -2.06 0.00 0.00 37.83 33.81 2nwt s LYS 52 CO 0.04 0.30 0.03 -1.50 0.10 0.00 0.00 175.35 174.32 2nwt s ILE 53 N -0.04 4.49 -0.00 3.79 2.07 -1.26 -5.12 121.20 125.13 2nwt s ILE 53 Ca -0.04 -0.30 0.05 0.00 -1.41 0.00 0.00 60.65 58.96 2nwt s ILE 53 Cb -0.12 -2.95 -0.01 0.00 0.13 0.00 0.00 42.46 39.50 2nwt s ILE 53 CO 0.03 0.51 -0.16 -0.60 -1.91 0.00 0.00 174.94 172.81 2nwt s ARG 54 N -1.19 1.28 0.87 3.50 3.52 -1.26 -5.15 118.95 120.52 2nwt s ARG 54 Ca 0.16 -0.64 -0.11 0.00 -0.13 0.00 0.00 55.73 55.02 2nwt s ARG 54 Cb -0.12 -1.26 0.11 0.00 -1.56 0.00 0.00 34.95 32.13 2nwt s ARG 54 CO 0.06 0.34 1.09 -0.51 -0.81 0.00 0.00 175.30 175.47 2nwt s ASP 55 N -0.55 3.70 0.04 -2.12 1.01 -1.26 -5.05 116.67 112.45 2nwt s ASP 55 Ca 0.06 1.51 0.02 0.00 0.71 0.00 0.00 52.55 54.85 2nwt s ASP 55 Cb -0.07 -2.20 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 2nwt s ASP 55 CO -0.00 -2.50 0.05 -0.83 0.21 0.00 0.00 175.17 172.10 2nwt s GLY 56 N -3.46 1.97 -0.10 0.21 0.00 -1.26 -5.10 107.32 99.58 2nwt s GLY 56 Ca 0.63 -0.98 -0.19 0.00 0.00 0.00 0.00 44.72 44.17 2nwt s GLY 56 CO 0.57 -0.91 0.53 -1.59 0.00 0.00 0.00 173.10 171.69 2nwt s THR 57 N -1.26 5.14 0.47 0.90 2.01 -1.26 -5.07 115.64 116.57 2nwt s THR 57 Ca 0.25 1.06 0.09 0.00 0.31 0.00 0.00 61.69 63.40 2nwt s THR 57 Cb -0.12 -3.86 0.03 0.00 0.01 0.00 0.00 72.50 68.56 2nwt s THR 57 CO 0.17 0.32 0.63 -1.66 -0.69 0.00 0.00 174.62 173.40 2nwt s TRP 58 N 0.56 2.32 0.15 4.92 1.48 -1.26 -5.04 118.94 122.06 2nwt s TRP 58 Ca 0.28 -0.52 0.00 0.00 -1.06 0.00 0.00 56.10 54.80 2nwt s TRP 58 Cb -0.16 -2.31 0.00 0.00 -1.16 0.00 0.00 33.47 29.85 2nwt s TRP 58 CO 0.12 -0.65 0.00 -1.33 -4.06 0.00 0.00 176.95 171.03 2nwt n MET 59 N -1.97 -0.83 -4.51 3.25 2.81 -1.26 -5.07 117.12 109.54 2nwt n MET 59 Ca 0.10 0.67 -0.25 0.00 -1.81 0.00 0.00 57.70 56.40 2nwt n MET 59 Cb 0.60 -0.97 -0.08 0.00 -0.71 0.00 0.00 33.22 32.06 2nwt n MET 59 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2nwt s SER 60 N -4.96 2.78 -0.02 7.83 0.15 -1.26 -5.02 113.70 113.20 2nwt s SER 60 Ca 0.00 -1.66 0.01 0.00 0.70 0.00 0.00 55.95 55.00 2nwt s SER 60 Cb 0.00 0.48 0.07 0.00 -1.71 0.00 0.00 66.02 64.86 2nwt s SER 60 CO 0.00 -0.92 0.62 -1.20 1.20 0.00 0.00 173.24 172.94 2nwt n SER 61 N -1.27 1.38 -0.94 5.45 7.64 -1.26 -4.95 113.62 119.66 2nwt n SER 61 Ca -0.06 -2.08 0.00 0.00 1.01 0.00 0.00 58.87 57.74 2nwt n SER 61 Cb 0.65 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 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 0.04 -2.52 -4.40 -3.43 4.32 -1.26 -4.94 117.00 104.82 2nwt n LEU 62 Ca 0.02 1.76 -0.39 0.00 -0.02 0.00 0.00 56.01 57.39 2nwt n LEU 62 Cb 0.32 -1.28 -0.12 0.00 -1.62 0.00 0.00 43.42 40.73 2nwt n LEU 62 CO 0.03 0.08 -0.20 -0.70 -1.22 0.00 0.00 177.39 175.37 2nwt s GLU 63 N -4.22 3.11 -0.23 3.23 2.12 -1.26 -5.06 118.70 116.38 2nwt s GLU 63 Ca 0.00 -0.87 -0.03 0.00 0.36 0.00 0.00 54.97 54.43 2nwt s GLU 63 Cb 0.00 -3.59 0.01 0.00 0.26 0.00 0.00 34.13 30.81 2nwt s GLU 63 CO 0.00 -0.52 -0.06 -1.01 -0.54 0.00 0.00 175.26 173.13 2nwt s HIS 64 N 1.57 2.99 -0.66 5.30 3.76 -1.26 -5.05 115.29 121.93 2nwt s HIS 64 Ca 0.03 -1.26 -0.27 0.00 -0.15 0.00 0.00 55.06 53.42 2nwt s HIS 64 Cb -0.18 -2.08 0.01 0.00 1.11 0.00 0.00 32.58 31.44 2nwt s HIS 64 CO 0.06 -0.65 1.51 -1.01 -0.85 0.00 0.00 174.74 173.80 2nwt s HIS 65 N 1.40 2.06 -0.07 1.40 3.76 -1.26 -4.95 115.29 117.63 2nwt s HIS 65 Ca 0.03 0.33 -0.35 0.00 -0.15 0.00 0.00 55.06 54.93 2nwt s HIS 65 Cb -0.15 -4.40 -0.12 0.00 1.11 0.00 0.00 32.58 29.01 2nwt s HIS 65 CO -0.04 -2.15 1.82 -2.39 -0.85 0.00 0.00 174.74 171.13 2nwt n HIS 66 N 10.60 2.28 -2.47 1.40 1.44 -1.26 -4.85 115.22 122.36 2nwt n HIS 66 Ca 0.11 0.09 -0.40 0.00 -2.01 0.00 0.00 57.72 55.51 2nwt n HIS 66 Cb 0.50 -2.62 -0.01 0.00 0.12 0.00 0.00 29.99 27.97 2nwt n HIS 66 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2nwt s HIS 67 N 3.55 2.59 -0.14 -1.40 2.46 -1.26 -4.93 115.29 116.16 2nwt s HIS 67 Ca 0.91 -1.14 -0.01 0.00 0.47 0.00 0.00 55.06 55.29 2nwt s HIS 67 Cb -0.73 -4.60 -0.02 0.00 -0.13 0.00 0.00 32.58 27.10 2nwt s HIS 67 CO 0.51 -1.70 -0.11 -1.58 -2.47 0.00 0.00 174.74 169.39 2nwt s HIS 68 N 5.66 2.86 0.00 3.88 5.04 -1.26 -5.34 115.29 126.12 2nwt s HIS 68 Ca 0.56 -0.56 0.00 0.00 -1.54 0.00 0.00 55.06 53.52 2nwt s HIS 68 Cb 0.03 -1.87 0.00 0.00 0.04 0.00 0.00 32.58 30.78 2nwt s HIS 68 CO 0.08 -0.17 0.00 1.58 -2.34 0.00 0.00 174.74 173.89