#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 3.34 0.26 0.03 0.02 -1.26 -5.00 135.00 132.39 2nwt s PRO 2 Ca 0.00 0.64 -0.21 0.00 0.02 0.00 0.00 61.00 61.45 2nwt s PRO 2 Cb 0.00 -4.11 -0.09 0.00 0.02 0.00 0.00 34.50 30.32 2nwt s PRO 2 CO 0.00 -1.88 0.79 0.21 -0.33 0.00 0.00 177.00 175.80 2nwt s LYS 3 N 5.44 4.33 0.09 5.54 2.20 -1.26 -5.05 119.74 131.03 2nwt s LYS 3 Ca 0.57 0.99 -0.14 0.00 -0.36 0.00 0.00 55.97 57.03 2nwt s LYS 3 Cb -0.12 -2.81 -0.06 0.00 -1.51 0.00 0.00 37.83 33.33 2nwt s LYS 3 CO 0.27 0.34 0.48 0.96 -0.36 0.00 0.00 175.35 177.04 2nwt s ILE 4 N -1.59 4.95 0.17 5.43 -0.00 -1.26 -5.09 121.20 123.80 2nwt s ILE 4 Ca 0.46 0.77 0.03 0.00 -0.00 0.00 0.00 60.65 61.91 2nwt s ILE 4 Cb -0.17 -3.72 -0.03 0.00 -0.00 0.00 0.00 42.46 38.54 2nwt s ILE 4 CO 0.21 0.36 0.28 -0.63 -0.00 0.00 0.00 174.94 175.16 2nwt s ILE 5 N -1.33 5.18 0.05 8.37 -1.09 -1.26 -5.10 121.20 126.01 2nwt s ILE 5 Ca 0.33 -0.82 0.07 0.00 -2.23 0.00 0.00 60.65 58.00 2nwt s ILE 5 Cb -0.15 -3.70 -0.03 0.00 -1.58 0.00 0.00 42.46 36.99 2nwt s ILE 5 CO 0.18 -0.15 -0.18 -1.61 -1.23 0.00 0.00 174.94 171.95 2nwt s GLU 6 N -3.39 2.05 0.18 2.79 2.02 -1.26 -5.05 118.70 116.04 2nwt s GLU 6 Ca 0.34 -1.00 -0.09 0.00 0.02 0.00 0.00 54.97 54.24 2nwt s GLU 6 Cb -0.10 -2.19 -0.01 0.00 0.10 0.00 0.00 34.13 31.93 2nwt s GLU 6 CO 0.28 0.53 0.30 0.00 0.02 0.00 0.00 175.26 176.39 2nwt s ALA 7 N -0.96 0.06 -0.14 5.21 0.00 -1.26 0.36 121.76 125.03 2nwt s ALA 7 Ca 0.15 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.18 2nwt s ALA 7 Cb -0.11 0.93 0.02 0.00 0.00 0.00 0.00 23.12 23.96 2nwt s ALA 7 CO 0.06 -0.67 -0.17 0.14 0.00 0.00 0.00 175.76 175.12 2nwt s VAL 8 N -3.99 1.73 -0.73 0.00 -7.23 0.16 -4.88 120.40 105.45 2nwt s VAL 8 Ca 0.20 -0.76 -0.27 0.00 -1.81 0.00 0.00 61.98 59.34 2nwt s VAL 8 Cb 0.03 -1.58 0.02 0.00 0.56 0.00 0.00 36.38 35.41 2nwt s VAL 8 CO 0.02 0.49 1.38 -0.47 -0.31 0.00 0.00 175.10 176.21 2nwt s TYR 9 N 1.17 2.19 -0.05 2.82 5.04 -1.25 -0.99 117.35 126.28 2nwt s TYR 9 Ca -0.01 0.05 0.06 0.00 -2.44 0.00 0.00 57.07 54.73 2nwt s TYR 9 Cb -0.14 -4.54 -0.01 0.00 0.35 0.00 0.00 41.96 37.62 2nwt s TYR 9 CO -0.07 -2.11 -0.24 -1.21 -1.34 0.00 0.00 175.55 170.58 2nwt s GLU 10 N 5.92 2.44 -1.81 4.97 2.02 0.14 -4.71 118.70 127.67 2nwt s GLU 10 Ca 0.41 -0.88 0.00 0.00 0.02 0.00 0.00 54.97 54.52 2nwt s GLU 10 Cb -0.08 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 32.05 2nwt s GLU 10 CO 0.15 0.39 0.00 0.09 0.02 0.00 0.00 175.26 175.90 2nwt n ASN 11 N 2.91 -5.12 0.00 -0.19 3.02 -1.26 -0.57 115.26 114.05 2nwt n ASN 11 Ca -0.17 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 2nwt n ASN 11 Cb 0.52 -4.18 0.00 0.00 -0.61 0.00 0.00 39.78 35.51 2nwt n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2nwt n GLY 12 N -0.85 0.66 3.27 7.41 0.00 -1.26 -5.05 105.19 109.37 2nwt n GLY 12 Ca -0.18 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 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 1.68 -0.35 1.61 1.01 0.27 -5.11 120.40 117.51 2nwt s VAL 13 Ca 0.00 -1.45 -0.16 0.00 0.00 0.00 0.00 61.98 60.37 2nwt s VAL 13 Cb 0.00 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 2nwt s VAL 13 CO 0.00 0.00 0.40 -0.36 0.00 0.00 0.00 175.10 175.14 2nwt s PHE 14 N -1.07 3.20 -0.28 5.22 0.08 -1.26 0.28 117.98 124.16 2nwt s PHE 14 Ca 0.06 -0.00 -0.04 0.00 0.12 0.00 0.00 56.93 57.07 2nwt s PHE 14 Cb -0.10 -2.74 0.02 0.00 -0.57 0.00 0.00 43.02 39.64 2nwt s PHE 14 CO 0.04 -0.47 0.00 0.15 -0.10 0.00 0.00 175.22 174.84 2nwt s LYS 15 N 2.11 2.85 1.11 0.44 1.02 -0.16 -4.91 119.74 122.21 2nwt s LYS 15 Ca 0.13 -0.99 -0.13 0.00 0.02 0.00 0.00 55.97 55.01 2nwt s LYS 15 Cb -0.16 -3.17 0.25 0.00 -0.52 0.00 0.00 37.83 34.23 2nwt s LYS 15 CO 0.12 -0.46 1.05 -1.25 -0.92 0.00 0.00 175.35 173.89 2nwt s PRO 16 N 1.38 -0.51 -0.02 -1.68 0.04 -1.26 0.35 135.00 133.29 2nwt s PRO 16 Ca 0.00 0.81 0.13 0.00 0.04 0.00 0.00 61.00 61.97 2nwt s PRO 16 Cb -0.17 -1.60 -0.20 0.00 0.04 0.00 0.00 34.50 32.57 2nwt s PRO 16 CO -0.01 -3.44 0.27 1.28 0.04 0.00 0.00 177.00 175.13 2nwt n LEU 17 N -4.72 0.00 -4.89 -3.56 4.77 0.16 -4.71 117.00 104.05 2nwt n LEU 17 Ca 0.04 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.67 2nwt n LEU 17 Cb 0.55 0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.60 2nwt n LEU 17 CO 0.57 0.02 -0.15 -1.10 -1.33 0.00 0.00 177.39 175.40 2nwt s GLN 18 N -2.85 3.46 -0.16 3.23 -0.21 -1.24 -5.03 119.66 116.87 2nwt s GLN 18 Ca -0.05 -0.20 -0.25 0.00 0.02 0.00 0.00 55.36 54.88 2nwt s GLN 18 Cb 0.08 -3.14 -0.02 0.00 1.00 0.00 0.00 33.01 30.94 2nwt s GLN 18 CO 0.53 0.72 0.81 0.21 -2.12 0.00 0.00 175.29 175.43 2nwt s LYS 19 N -1.53 4.31 -0.03 2.91 2.20 -1.26 -4.94 119.74 121.40 2nwt s LYS 19 Ca 0.22 0.99 0.02 0.00 -0.36 0.00 0.00 55.97 56.84 2nwt s LYS 19 Cb -0.12 -3.56 0.01 0.00 -1.51 0.00 0.00 37.83 32.64 2nwt s LYS 19 CO 0.12 -0.28 -0.08 0.08 -0.36 0.00 0.00 175.35 174.83 2nwt s VAL 20 N 1.98 0.75 -0.89 4.02 1.01 -1.26 -5.06 120.40 120.94 2nwt s VAL 20 Ca 0.38 -0.33 -0.15 0.00 0.00 0.00 0.00 61.98 61.88 2nwt s VAL 20 Cb -0.17 -0.68 0.21 0.00 0.00 0.00 0.00 36.38 35.73 2nwt s VAL 20 CO 0.13 0.24 0.91 -0.62 0.00 0.00 0.00 175.10 175.76 2nwt s ASP 21 N 0.30 6.81 0.44 3.32 -1.08 -1.26 -4.99 116.67 120.20 2nwt s ASP 21 Ca -0.05 -2.66 0.07 0.00 -0.52 0.00 0.00 52.55 49.39 2nwt s ASP 21 Cb -0.09 -2.26 -0.04 0.00 -1.46 0.00 0.00 42.92 39.07 2nwt s ASP 21 CO 0.01 -0.65 0.22 -0.76 0.52 0.00 0.00 175.17 174.50 2nwt s LEU 22 N 0.60 3.04 0.24 -1.34 1.43 -1.26 -5.15 118.68 116.24 2nwt s LEU 22 Ca 0.23 -1.10 0.07 0.00 -1.03 0.00 0.00 54.13 52.30 2nwt s LEU 22 Cb -0.09 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 2nwt s LEU 22 CO -0.09 -0.64 0.14 -0.54 0.23 0.00 0.00 176.35 175.45 2nwt s LYS 23 N -3.97 2.78 -0.19 1.70 1.02 -1.26 -5.04 119.74 114.78 2nwt s LYS 23 Ca 0.39 -1.09 -0.29 0.00 0.02 0.00 0.00 55.97 55.00 2nwt s LYS 23 Cb 0.02 -2.49 -0.04 0.00 -0.52 0.00 0.00 37.83 34.80 2nwt s LYS 23 CO 0.22 0.41 1.74 -1.21 -0.92 0.00 0.00 175.35 175.59 2nwt s GLU 24 N -3.64 3.74 0.00 1.68 8.01 -1.26 -1.39 118.70 125.85 2nwt s GLU 24 Ca 0.32 1.82 0.00 0.00 0.01 0.00 0.00 54.97 57.12 2nwt s GLU 24 Cb -0.08 -4.10 0.00 0.00 -4.31 0.00 0.00 34.13 25.64 2nwt s GLU 24 CO 0.23 -1.37 0.00 0.41 0.01 0.00 0.00 175.26 174.55 2nwt n GLY 25 N 4.80 1.10 3.73 -1.39 0.00 -1.26 -5.08 105.19 107.09 2nwt n GLY 25 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2nwt n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nwt s GLU 26 N -0.44 4.51 -0.26 1.61 0.41 -0.48 -4.99 118.70 119.06 2nwt s GLU 26 Ca 0.00 1.79 -0.10 0.00 -0.41 0.00 0.00 54.97 56.25 2nwt s GLU 26 Cb 0.00 -3.28 -0.05 0.00 -1.78 0.00 0.00 34.13 29.02 2nwt s GLU 26 CO 0.00 -0.08 0.16 1.03 -0.49 0.00 0.00 175.26 175.89 2nwt s ARG 27 N 0.06 3.95 0.14 1.61 0.52 -1.26 -5.02 118.95 118.95 2nwt s ARG 27 Ca 0.53 -0.32 0.04 0.00 -0.52 0.00 0.00 55.73 55.45 2nwt s ARG 27 Cb -0.31 -3.57 -0.04 0.00 0.52 0.00 0.00 34.95 31.55 2nwt s ARG 27 CO 0.34 -0.09 -0.09 0.14 0.02 0.00 0.00 175.30 175.62 2nwt s VAL 28 N 1.48 1.01 -0.02 3.52 -7.23 -1.26 -5.15 120.40 112.75 2nwt s VAL 28 Ca 0.07 -2.02 0.06 0.00 -1.81 0.00 0.00 61.98 58.28 2nwt s VAL 28 Cb -0.15 -1.82 -0.02 0.00 0.56 0.00 0.00 36.38 34.95 2nwt s VAL 28 CO 0.08 -0.77 -0.21 -0.54 -0.31 0.00 0.00 175.10 173.36 2nwt s LYS 29 N -3.78 2.24 0.11 4.82 1.02 -1.26 -5.13 119.74 117.77 2nwt s LYS 29 Ca 0.16 -0.85 0.09 0.00 0.02 0.00 0.00 55.97 55.38 2nwt s LYS 29 Cb 0.04 -2.19 -0.04 0.00 -0.52 0.00 0.00 37.83 35.12 2nwt s LYS 29 CO -0.01 0.58 -0.19 0.42 -0.92 0.00 0.00 175.35 175.24 2nwt s ILE 30 N -0.70 2.79 0.20 2.17 -1.09 -1.26 -5.11 121.20 118.20 2nwt s ILE 30 Ca 0.11 -1.49 -0.19 0.00 -2.23 0.00 0.00 60.65 56.85 2nwt s ILE 30 Cb -0.10 -2.26 0.03 0.00 -1.58 0.00 0.00 42.46 38.55 2nwt s ILE 30 CO 0.00 0.13 0.56 -1.59 -1.23 0.00 0.00 174.94 172.81 2nwt s LYS 31 N -2.06 1.42 -0.36 2.79 -2.85 -1.26 -5.11 119.74 112.31 2nwt s LYS 31 Ca 0.17 -0.81 -0.23 0.00 -1.00 0.00 0.00 55.97 54.10 2nwt s LYS 31 Cb -0.11 0.54 0.01 0.00 -2.06 0.00 0.00 37.83 36.22 2nwt s LYS 31 CO 0.09 -0.61 0.78 -0.51 0.10 0.00 0.00 175.35 175.20 2nwt s LEU 32 N -2.86 4.13 0.35 2.77 1.43 -1.26 -4.98 118.68 118.27 2nwt s LEU 32 Ca 0.08 0.36 -0.27 0.00 -1.03 0.00 0.00 54.13 53.27 2nwt s LEU 32 Cb -0.02 -3.02 -0.09 0.00 0.03 0.00 0.00 46.19 43.10 2nwt s LEU 32 CO -0.03 -0.72 1.21 -0.70 0.23 0.00 0.00 176.35 176.34 2nwt s GLU 33 N 3.07 4.26 0.64 1.70 2.56 -1.26 -4.96 118.70 124.71 2nwt s GLU 33 Ca 0.31 1.98 -0.10 0.00 0.00 0.00 0.00 54.97 57.16 2nwt s GLU 33 Cb -0.13 -2.91 -0.00 0.00 2.00 0.00 0.00 34.13 33.08 2nwt s GLU 33 CO 0.16 -0.18 1.01 -0.48 -0.56 0.00 0.00 175.26 175.21 2nwt s LEU 34 N -2.06 3.11 0.28 2.70 0.05 -1.26 -5.08 118.68 116.42 2nwt s LEU 34 Ca 0.52 1.08 0.07 0.00 0.05 0.00 0.00 54.13 55.84 2nwt s LEU 34 Cb -0.34 -3.95 -0.03 0.00 -2.05 0.00 0.00 46.19 39.82 2nwt s LEU 34 CO 0.44 -1.11 0.30 -0.54 -0.55 0.00 0.00 176.35 174.89 2nwt s LYS 35 N -5.18 3.02 0.24 1.48 3.01 -1.26 -5.09 119.74 115.95 2nwt s LYS 35 Ca 0.56 -1.04 -0.30 0.00 -1.01 0.00 0.00 55.97 54.18 2nwt s LYS 35 Cb -0.11 -2.66 -0.09 0.00 -1.01 0.00 0.00 37.83 33.97 2nwt s LYS 35 CO 0.50 0.28 1.03 0.08 0.51 0.00 0.00 175.35 177.74 2nwt s VAL 36 N -2.15 3.85 -0.03 3.17 1.01 -1.26 -4.97 120.40 120.02 2nwt s VAL 36 Ca 0.37 1.79 -0.30 0.00 0.00 0.00 0.00 61.98 63.85 2nwt s VAL 36 Cb -0.08 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 2nwt s VAL 36 CO 0.27 0.40 1.65 -1.61 0.00 0.00 0.00 175.10 175.81 2nwt s GLU 37 N -1.07 4.19 0.69 2.72 2.02 -1.26 -4.98 118.70 121.02 2nwt s GLU 37 Ca 0.44 2.20 -0.12 0.00 0.02 0.00 0.00 54.97 57.52 2nwt s GLU 37 Cb -0.29 -3.92 0.18 0.00 0.10 0.00 0.00 34.13 30.20 2nwt s GLU 37 CO 0.36 -0.82 0.53 -2.30 0.02 0.00 0.00 175.26 173.05 2nwt n PRO 38 N 6.84 -2.63 -1.23 0.39 -0.02 -1.26 -5.00 135.00 132.08 2nwt n PRO 38 Ca 0.17 -0.87 -0.30 0.00 -2.02 0.00 0.00 63.50 60.49 2nwt n PRO 38 Cb 0.42 -0.91 0.14 0.00 -0.02 0.00 0.00 33.50 33.13 2nwt n PRO 38 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2nwt s ILE 39 N -1.88 2.61 -0.32 4.25 -4.36 -1.26 -5.03 121.20 115.21 2nwt s ILE 39 Ca 0.37 0.20 0.02 0.00 -0.26 0.00 0.00 60.65 60.97 2nwt s ILE 39 Cb -0.05 -2.71 0.08 0.00 1.25 0.00 0.00 42.46 41.04 2nwt s ILE 39 CO 0.29 -0.26 0.01 -0.62 0.24 0.00 0.00 174.94 174.60 2nwt s ASP 40 N -3.48 4.75 0.85 4.36 2.15 -1.26 -5.11 116.67 118.93 2nwt s ASP 40 Ca 0.63 -1.78 -0.10 0.00 0.43 0.00 0.00 52.55 51.73 2nwt s ASP 40 Cb -0.18 -1.64 0.15 0.00 -0.30 0.00 0.00 42.92 40.96 2nwt s ASP 40 CO 0.57 -0.32 1.18 -1.48 -0.17 0.00 0.00 175.17 174.94 2nwt s LEU 41 N 1.04 2.79 0.00 -1.34 0.05 -1.26 -5.10 118.68 114.86 2nwt s LEU 41 Ca 0.02 0.14 0.00 0.00 0.05 0.00 0.00 54.13 54.34 2nwt s LEU 41 Cb -0.20 -2.38 0.00 0.00 -2.05 0.00 0.00 46.19 41.56 2nwt s LEU 41 CO -0.06 -2.29 0.00 0.61 -0.55 0.00 0.00 176.35 174.07 2nwt n GLY 42 N -3.36 0.73 3.39 -3.48 0.00 -1.26 -5.05 105.19 96.17 2nwt n GLY 42 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2nwt n GLY 42 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2nwt s GLU 43 N 1.22 3.46 0.91 1.61 -1.05 -1.26 -5.12 118.70 118.48 2nwt s GLU 43 Ca 0.00 -0.63 -0.14 0.00 -0.15 0.00 0.00 54.97 54.05 2nwt s GLU 43 Cb 0.00 -2.79 0.15 0.00 -0.44 0.00 0.00 34.13 31.05 2nwt s GLU 43 CO 0.00 0.14 1.21 -1.25 0.95 0.00 0.00 175.26 176.31 2nwt s PRO 44 N 0.58 1.08 0.24 -4.83 0.04 -1.26 -5.11 135.00 125.75 2nwt s PRO 44 Ca -0.06 -0.04 0.03 0.00 0.04 0.00 0.00 61.00 60.97 2nwt s PRO 44 Cb -0.15 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 2nwt s PRO 44 CO 0.03 -2.17 0.01 0.54 0.04 0.00 0.00 177.00 175.45 2nwt s VAL 45 N -3.58 0.99 0.65 -0.36 0.11 -1.26 -5.16 120.40 111.80 2nwt s VAL 45 Ca 0.67 -2.03 -0.04 0.00 -2.93 0.00 0.00 61.98 57.66 2nwt s VAL 45 Cb -0.09 -2.43 0.05 0.00 -1.53 0.00 0.00 36.38 32.38 2nwt s VAL 45 CO 0.52 -0.25 0.93 -0.44 -3.33 0.00 0.00 175.10 172.52 2nwt s SER 46 N -3.33 4.97 0.00 3.54 0.01 -1.26 -5.02 113.70 112.62 2nwt s SER 46 Ca 0.30 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.84 2nwt s SER 46 Cb 0.06 -1.01 0.00 0.00 0.21 0.00 0.00 66.02 65.28 2nwt s SER 46 CO 0.10 -1.44 0.07 0.55 0.41 0.00 0.00 173.24 172.94 2nwt n VAL 47 N -2.71 0.00 -2.55 3.43 3.14 -1.26 -5.07 118.33 113.31 2nwt n VAL 47 Ca 0.08 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 61.04 2nwt n VAL 47 Cb 0.60 0.78 -0.03 0.00 -1.06 0.00 0.00 33.84 34.14 2nwt n VAL 47 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2nwt s GLU 48 N 0.00 3.39 0.00 1.45 8.01 -1.26 -4.79 118.70 125.49 2nwt s GLU 48 Ca 0.00 0.11 0.10 0.00 0.01 0.00 0.00 54.97 55.20 2nwt s GLU 48 Cb 0.00 -4.08 -0.23 0.00 -4.31 0.00 0.00 34.13 25.51 2nwt s GLU 48 CO 0.00 -1.86 0.83 1.49 0.01 0.00 0.00 175.26 175.73 2nwt h GLU 49 N 9.88 0.01 0.00 1.61 4.22 -2.05 -3.35 114.58 124.90 2nwt h GLU 49 Ca -0.26 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.16 2nwt h GLU 49 Cb 1.06 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2nwt h GLU 49 CO 1.22 0.65 0.00 1.51 -2.18 0.00 0.00 179.01 180.21 2nwt n ILE 50 N -3.14 0.74 -3.11 2.32 3.06 -1.26 -4.62 119.36 113.35 2nwt n ILE 50 Ca -0.12 0.19 -0.39 0.00 -2.50 0.00 0.00 62.75 59.92 2nwt n ILE 50 Cb 1.02 -0.94 -0.05 0.00 0.54 0.00 0.00 39.64 40.21 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 -2.72 4.39 -0.09 9.51 2.20 -1.26 -5.06 119.74 126.71 2nwt s LYS 51 Ca 0.11 0.85 -0.05 0.00 -0.36 0.00 0.00 55.97 56.52 2nwt s LYS 51 Cb 0.10 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 33.00 2nwt s LYS 51 CO 0.24 0.27 0.12 -1.59 -0.36 0.00 0.00 175.35 174.03 2nwt s LYS 52 N 0.08 3.34 -0.06 4.03 -2.85 -1.26 -5.01 119.74 118.01 2nwt s LYS 52 Ca 0.34 -0.22 -0.23 0.00 -1.00 0.00 0.00 55.97 54.86 2nwt s LYS 52 Cb -0.19 -3.09 -0.29 0.00 -2.06 0.00 0.00 37.83 32.20 2nwt s LYS 52 CO 0.19 0.74 0.90 0.82 0.10 0.00 0.00 175.35 178.10 2nwt h ILE 53 N 3.79 1.56 -3.79 3.79 5.03 -1.97 -3.48 117.51 122.45 2nwt h ILE 53 Ca -0.53 -2.41 -0.08 0.00 -0.12 0.00 0.00 64.86 61.72 2nwt h ILE 53 Cb 1.21 3.15 -0.14 0.00 -3.03 0.00 0.00 36.82 38.01 2nwt h ILE 53 CO 0.59 0.67 -0.35 0.00 -0.68 0.00 0.00 178.15 178.38 2nwt s ARG 54 N -2.53 0.88 0.53 2.37 1.70 -1.26 -5.16 118.95 115.49 2nwt s ARG 54 Ca -0.15 -0.96 -0.14 0.00 -0.47 0.00 0.00 55.73 54.01 2nwt s ARG 54 Cb 0.00 0.35 -0.07 0.00 -0.57 0.00 0.00 34.95 34.67 2nwt s ARG 54 CO 0.80 -0.29 0.96 -0.51 -1.08 0.00 0.00 175.30 175.18 2nwt s ASP 55 N -2.87 6.49 0.00 -2.89 1.11 -1.26 -5.00 116.67 112.26 2nwt s ASP 55 Ca 0.06 1.45 0.00 0.00 0.18 0.00 0.00 52.55 54.24 2nwt s ASP 55 Cb 0.05 -2.47 0.00 0.00 1.07 0.00 0.00 42.92 41.57 2nwt s ASP 55 CO -0.10 -0.64 0.00 0.61 1.18 0.00 0.00 175.17 176.22 2nwt n GLY 56 N -1.88 -0.05 3.75 0.21 0.00 -1.26 -5.10 105.19 100.86 2nwt n GLY 56 Ca 0.06 0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 3.71 -0.09 2.61 2.01 -1.26 -5.04 115.64 115.58 2nwt s THR 57 Ca 0.00 1.65 0.02 0.00 0.31 0.00 0.00 61.69 63.67 2nwt s THR 57 Cb 0.00 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 2nwt s THR 57 CO 0.00 0.37 -0.15 0.86 -0.69 0.00 0.00 174.62 175.01 2nwt s TRP 58 N -0.92 2.74 0.55 4.92 -0.00 -1.26 -5.12 118.94 119.84 2nwt s TRP 58 Ca 0.45 -0.47 -0.07 0.00 -0.00 0.00 0.00 56.10 56.01 2nwt s TRP 58 Cb -0.30 -1.74 -0.02 0.00 -0.00 0.00 0.00 33.47 31.40 2nwt s TRP 58 CO 0.38 -0.06 0.88 -1.64 -0.00 0.00 0.00 176.95 176.50 2nwt s MET 59 N -0.10 3.39 -1.86 5.86 -1.94 -1.26 -4.00 119.30 119.39 2nwt s MET 59 Ca -0.02 0.30 0.00 0.00 -1.71 0.00 0.00 55.69 54.26 2nwt s MET 59 Cb -0.14 -2.27 0.00 0.00 2.01 0.00 0.00 34.83 34.44 2nwt s MET 59 CO 0.04 -0.44 0.00 0.43 -0.01 0.00 0.00 175.02 175.04 2nwt n SER 60 N -2.48 -5.48 0.00 3.03 7.64 -1.26 -4.85 113.62 110.22 2nwt n SER 60 Ca 0.03 0.22 0.15 0.00 1.01 0.00 0.00 58.87 60.28 2nwt n SER 60 Cb 0.55 -4.60 0.91 0.00 -1.01 0.00 0.00 64.21 60.06 2nwt n SER 60 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2nwt n SER 61 N -1.45 0.00 -4.67 6.43 7.64 -1.26 -4.79 113.62 115.53 2nwt n SER 61 Ca -0.21 -0.91 -0.41 0.00 1.01 0.00 0.00 58.87 58.34 2nwt n SER 61 Cb 0.66 -0.02 -0.04 0.00 -1.01 0.00 0.00 64.21 63.80 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 -2.04 4.16 -0.34 -3.43 2.01 -1.26 -5.03 118.68 112.76 2nwt s LEU 62 Ca 0.45 1.10 -0.10 0.00 0.01 0.00 0.00 54.13 55.59 2nwt s LEU 62 Cb 0.21 -3.16 0.01 0.00 0.01 0.00 0.00 46.19 43.26 2nwt s LEU 62 CO 0.36 -0.38 0.17 -1.61 1.01 0.00 0.00 176.35 175.91 2nwt s GLU 63 N 2.15 3.14 -0.27 1.70 2.02 -1.26 -4.94 118.70 121.24 2nwt s GLU 63 Ca 0.36 -0.86 -0.09 0.00 0.02 0.00 0.00 54.97 54.40 2nwt s GLU 63 Cb -0.16 -3.63 -0.13 0.00 0.10 0.00 0.00 34.13 30.31 2nwt s GLU 63 CO 0.12 -0.53 -0.31 1.58 0.02 0.00 0.00 175.26 176.14 2nwt n HIS 64 N 4.99 0.00 -3.29 1.61 -0.00 -1.26 -4.73 115.22 112.54 2nwt n HIS 64 Ca -0.13 0.00 -0.46 0.00 0.46 0.00 0.00 57.72 57.59 2nwt n HIS 64 Cb 0.48 -0.98 -0.03 0.00 -0.12 0.00 0.00 29.99 29.34 2nwt n HIS 64 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2nwt s HIS 65 N -2.50 3.53 -0.29 1.57 3.76 -1.26 -4.96 115.29 115.14 2nwt s HIS 65 Ca -0.37 -1.70 -0.17 0.00 -0.15 0.00 0.00 55.06 52.67 2nwt s HIS 65 Cb 0.13 -3.85 0.15 0.00 1.11 0.00 0.00 32.58 30.11 2nwt s HIS 65 CO 0.52 -1.05 1.00 -1.58 -0.85 0.00 0.00 174.74 172.78 2nwt s HIS 66 N 0.87 -0.52 0.49 1.40 5.04 -1.26 -5.16 115.29 116.14 2nwt s HIS 66 Ca 0.14 1.07 -0.22 0.00 -1.54 0.00 0.00 55.06 54.51 2nwt s HIS 66 Cb -0.16 0.33 -0.07 0.00 0.04 0.00 0.00 32.58 32.72 2nwt s HIS 66 CO -0.05 -0.26 1.18 -1.01 -2.34 0.00 0.00 174.74 172.26 2nwt s HIS 67 N 1.20 2.77 0.04 3.88 3.76 -1.26 -5.04 115.29 120.64 2nwt s HIS 67 Ca -0.08 1.52 -0.02 0.00 -0.15 0.00 0.00 55.06 56.34 2nwt s HIS 67 Cb -0.04 -3.40 -0.04 0.00 1.11 0.00 0.00 32.58 30.21 2nwt s HIS 67 CO -0.14 -1.66 0.21 -1.58 -0.85 0.00 0.00 174.74 170.73 2nwt s HIS 68 N -1.57 3.53 0.00 1.40 2.46 -1.26 -5.21 115.29 114.64 2nwt s HIS 68 Ca 0.67 0.32 0.00 0.00 0.47 0.00 0.00 55.06 56.52 2nwt s HIS 68 Cb -0.29 -1.81 0.00 0.00 -0.13 0.00 0.00 32.58 30.35 2nwt s HIS 68 CO 0.34 0.60 0.00 -2.39 -2.47 0.00 0.00 174.74 170.82