#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nwt n PRO 2 N 0.00 0.94 -3.55 0.03 -0.04 -1.26 -4.88 135.00 126.24 2nwt n PRO 2 Ca 0.00 -0.04 -0.14 0.00 -0.04 0.00 0.00 63.50 63.27 2nwt n PRO 2 Cb 0.00 -3.32 -0.05 0.00 -0.04 0.00 0.00 33.50 30.09 2nwt n PRO 2 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2nwt s LYS 3 N 8.37 1.07 0.27 0.54 2.20 -1.26 -5.14 119.74 125.79 2nwt s LYS 3 Ca 1.01 -0.19 -0.30 0.00 -0.36 0.00 0.00 55.97 56.13 2nwt s LYS 3 Cb -0.25 0.49 -0.10 0.00 -1.51 0.00 0.00 37.83 36.46 2nwt s LYS 3 CO 0.27 -0.39 1.45 0.42 -0.36 0.00 0.00 175.35 176.75 2nwt s ILE 4 N -2.41 2.54 0.08 5.43 1.09 -1.26 -5.02 121.20 121.64 2nwt s ILE 4 Ca -0.05 0.47 0.05 0.00 -1.10 0.00 0.00 60.65 60.01 2nwt s ILE 4 Cb -0.01 -3.30 -0.03 0.00 -1.06 0.00 0.00 42.46 38.07 2nwt s ILE 4 CO -0.01 0.08 -0.13 -0.63 -0.10 0.00 0.00 174.94 174.14 2nwt s ILE 5 N -0.18 1.07 -0.22 2.92 1.01 -1.26 -5.13 121.20 119.41 2nwt s ILE 5 Ca 0.59 -1.35 -0.10 0.00 0.00 0.00 0.00 60.65 59.79 2nwt s ILE 5 Cb -0.43 -1.10 -0.05 0.00 0.01 0.00 0.00 42.46 40.90 2nwt s ILE 5 CO 0.46 -0.28 0.13 -1.61 0.00 0.00 0.00 174.94 173.64 2nwt s GLU 6 N -1.89 4.05 0.28 2.79 8.01 -1.26 -5.04 118.70 125.64 2nwt s GLU 6 Ca -0.01 -0.29 0.05 0.00 0.01 0.00 0.00 54.97 54.73 2nwt s GLU 6 Cb -0.09 -3.45 -0.06 0.00 -4.31 0.00 0.00 34.13 26.22 2nwt s GLU 6 CO 0.02 0.12 -0.01 0.00 0.01 0.00 0.00 175.26 175.41 2nwt s ALA 7 N 0.85 2.21 -0.21 5.21 0.00 -1.26 -0.06 121.76 128.50 2nwt s ALA 7 Ca 0.07 -1.91 0.01 0.00 0.00 0.00 0.00 51.96 50.13 2nwt s ALA 7 Cb -0.13 0.40 0.04 0.00 0.00 0.00 0.00 23.12 23.44 2nwt s ALA 7 CO 0.03 -0.19 -0.11 0.14 0.00 0.00 0.00 175.76 175.62 2nwt s VAL 8 N -3.20 1.76 -0.07 0.00 -7.23 0.18 -4.86 120.40 106.98 2nwt s VAL 8 Ca 0.31 -1.11 -0.30 0.00 -1.81 0.00 0.00 61.98 59.08 2nwt s VAL 8 Cb 0.06 -1.82 -0.05 0.00 0.56 0.00 0.00 36.38 35.12 2nwt s VAL 8 CO 0.12 0.16 1.66 -0.47 -0.31 0.00 0.00 175.10 176.26 2nwt s TYR 9 N 1.34 1.97 -0.08 2.82 5.04 -1.25 -1.01 117.35 126.18 2nwt s TYR 9 Ca -0.02 0.22 -0.11 0.00 -2.44 0.00 0.00 57.07 54.73 2nwt s TYR 9 Cb -0.17 -3.92 0.03 0.00 0.35 0.00 0.00 41.96 38.25 2nwt s TYR 9 CO -0.08 -3.78 0.29 -2.00 -1.34 0.00 0.00 175.55 168.63 2nwt s GLU 10 N 4.12 0.41 -1.21 4.97 2.12 0.25 -4.88 118.70 124.48 2nwt s GLU 10 Ca 0.74 0.24 0.00 0.00 0.36 0.00 0.00 54.97 56.31 2nwt s GLU 10 Cb -0.33 0.19 0.00 0.00 0.26 0.00 0.00 34.13 34.26 2nwt s GLU 10 CO 0.30 -0.07 0.00 -1.71 -0.54 0.00 0.00 175.26 173.23 2nwt n ASN 11 N 2.51 -4.78 0.00 -1.70 2.85 -1.26 -0.59 115.26 112.29 2nwt n ASN 11 Ca -0.15 0.28 0.00 0.00 -0.11 0.00 0.00 54.58 54.60 2nwt n ASN 11 Cb 0.57 -3.28 0.00 0.00 1.24 0.00 0.00 39.78 38.31 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 -1.05 0.50 3.25 8.20 0.00 -1.26 -5.05 105.19 109.77 2nwt n GLY 12 Ca -0.11 -0.82 -0.18 0.00 0.00 0.00 0.00 46.02 44.90 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 1.36 -0.34 1.61 1.01 0.24 -5.12 120.40 117.17 2nwt s VAL 13 Ca 0.00 -1.73 -0.15 0.00 0.00 0.00 0.00 61.98 60.10 2nwt s VAL 13 Cb 0.00 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 2nwt s VAL 13 CO 0.00 -0.41 0.34 -0.36 0.00 0.00 0.00 175.10 174.67 2nwt s PHE 14 N -2.13 3.21 -0.30 5.22 0.08 -1.26 0.85 117.98 123.64 2nwt s PHE 14 Ca 0.09 -0.08 -0.06 0.00 0.12 0.00 0.00 56.93 57.00 2nwt s PHE 14 Cb -0.05 -2.63 0.02 0.00 -0.57 0.00 0.00 43.02 39.79 2nwt s PHE 14 CO 0.03 -0.42 0.07 0.15 -0.10 0.00 0.00 175.22 174.95 2nwt s LYS 15 N 1.95 2.88 1.09 0.44 1.02 -0.18 -4.88 119.74 122.05 2nwt s LYS 15 Ca 0.10 -0.99 -0.14 0.00 0.02 0.00 0.00 55.97 54.96 2nwt s LYS 15 Cb -0.17 -3.35 0.18 0.00 -0.52 0.00 0.00 37.83 33.97 2nwt s LYS 15 CO 0.11 -0.52 0.69 -2.30 -0.92 0.00 0.00 175.35 172.42 2nwt n PRO 16 N 4.82 -1.59 -0.01 -1.68 -0.02 -1.26 0.48 135.00 135.73 2nwt n PRO 16 Ca -0.14 -0.43 -0.01 0.00 -2.02 0.00 0.00 63.50 60.90 2nwt n PRO 16 Cb 0.47 -2.04 -0.00 0.00 -0.02 0.00 0.00 33.50 31.90 2nwt n PRO 16 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2nwt n LEU 17 N -3.49 0.28 -4.76 2.45 4.77 0.92 -4.64 117.00 112.53 2nwt n LEU 17 Ca 0.05 0.25 -0.39 0.00 -0.03 0.00 0.00 56.01 55.89 2nwt n LEU 17 Cb 0.56 -0.55 0.03 0.00 -2.33 0.00 0.00 43.42 41.13 2nwt n LEU 17 CO 0.53 -0.49 1.03 -1.10 -1.33 0.00 0.00 177.39 176.04 2nwt s GLN 18 N -1.21 3.33 0.54 3.23 -0.21 -1.24 -4.97 119.66 119.14 2nwt s GLN 18 Ca -0.03 2.34 -0.20 0.00 0.02 0.00 0.00 55.36 57.50 2nwt s GLN 18 Cb 0.00 -2.41 -0.06 0.00 1.00 0.00 0.00 33.01 31.55 2nwt s GLN 18 CO 0.04 -1.08 1.15 0.15 -2.12 0.00 0.00 175.29 173.43 2nwt s LYS 19 N -2.74 3.32 0.19 2.91 -0.14 -1.26 -4.98 119.74 117.03 2nwt s LYS 19 Ca 0.68 1.68 0.09 0.00 -1.36 0.00 0.00 55.97 57.06 2nwt s LYS 19 Cb -0.43 -2.03 -0.04 0.00 -1.68 0.00 0.00 37.83 33.65 2nwt s LYS 19 CO 0.52 -0.89 -0.19 0.54 -0.76 0.00 0.00 175.35 174.57 2nwt s VAL 20 N -1.71 1.99 -0.03 3.17 0.11 -1.26 -5.01 120.40 117.66 2nwt s VAL 20 Ca 0.73 -2.01 0.05 0.00 -2.93 0.00 0.00 61.98 57.81 2nwt s VAL 20 Cb -0.26 -1.96 0.07 0.00 -1.53 0.00 0.00 36.38 32.70 2nwt s VAL 20 CO 0.29 -0.30 1.02 -0.90 -3.33 0.00 0.00 175.10 171.88 2nwt n ASP 21 N 0.15 2.01 -3.22 3.54 5.75 -1.26 -5.06 116.55 118.46 2nwt n ASP 21 Ca -0.12 -2.24 -0.12 0.00 -0.01 0.00 0.00 54.79 52.30 2nwt n ASP 21 Cb 0.57 -0.11 0.07 0.00 -1.03 0.00 0.00 41.12 40.62 2nwt n ASP 21 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2nwt n LEU 22 N -0.72 0.00 0.00 -2.12 4.77 -1.26 -4.77 117.00 112.90 2nwt n LEU 22 Ca 0.04 -1.00 -0.07 0.00 -0.03 0.00 0.00 56.01 54.95 2nwt n LEU 22 Cb 0.36 -0.35 0.04 0.00 -2.33 0.00 0.00 43.42 41.14 2nwt n LEU 22 CO 0.00 -0.78 0.17 0.29 -1.33 0.00 0.00 177.39 175.74 2nwt n LYS 23 N -1.99 0.43 -0.65 3.23 5.02 -1.26 -5.12 118.16 117.82 2nwt n LYS 23 Ca 0.08 -0.84 0.00 0.00 -2.02 0.00 0.00 58.31 55.54 2nwt n LYS 23 Cb 0.29 -0.19 0.00 0.00 -0.02 0.00 0.00 35.03 35.11 2nwt n LYS 23 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2nwt n GLU 24 N -1.55 0.68 -0.10 1.97 -0.00 -1.26 -4.60 120.64 115.78 2nwt n GLU 24 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.21 2nwt n GLU 24 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.62 2nwt n GLU 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2nwt n GLY 25 N 5.00 0.00 3.86 -1.84 0.00 -1.26 -4.85 105.19 106.09 2nwt n GLY 25 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 0.33 3.69 -0.16 1.61 2.12 -1.26 -5.07 118.70 119.96 2nwt s GLU 26 Ca 0.00 0.14 -0.16 0.00 0.36 0.00 0.00 54.97 55.31 2nwt s GLU 26 Cb 0.00 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 2nwt s GLU 26 CO 0.00 0.73 0.41 0.50 -0.54 0.00 0.00 175.26 176.35 2nwt s ARG 27 N -1.02 4.27 0.25 4.30 3.52 -1.26 -5.04 118.95 123.95 2nwt s ARG 27 Ca 0.19 0.28 -0.05 0.00 -0.13 0.00 0.00 55.73 56.02 2nwt s ARG 27 Cb -0.14 -3.47 -0.02 0.00 -1.56 0.00 0.00 34.95 29.76 2nwt s ARG 27 CO 0.09 0.11 0.32 0.14 -0.81 0.00 0.00 175.30 175.15 2nwt s VAL 28 N 0.82 0.00 -0.02 7.11 -7.23 -1.26 -5.17 120.40 114.66 2nwt s VAL 28 Ca 0.21 -1.71 0.04 0.00 -1.81 0.00 0.00 61.98 58.71 2nwt s VAL 28 Cb -0.14 -2.40 -0.01 0.00 0.56 0.00 0.00 36.38 34.38 2nwt s VAL 28 CO 0.08 0.00 -0.15 -0.54 -0.31 0.00 0.00 175.10 174.18 2nwt s LYS 29 N -3.91 1.28 -0.07 4.82 1.02 -1.26 -5.14 119.74 116.48 2nwt s LYS 29 Ca 0.31 -0.52 0.05 0.00 0.02 0.00 0.00 55.97 55.83 2nwt s LYS 29 Cb 0.03 -1.21 -0.01 0.00 -0.52 0.00 0.00 37.83 36.12 2nwt s LYS 29 CO 0.13 0.29 -0.23 0.42 -0.92 0.00 0.00 175.35 175.04 2nwt s ILE 30 N -0.24 2.20 0.08 2.17 -1.09 -1.26 -5.12 121.20 117.95 2nwt s ILE 30 Ca 0.03 -1.00 0.05 0.00 -2.23 0.00 0.00 60.65 57.50 2nwt s ILE 30 Cb -0.07 -1.82 -0.04 0.00 -1.58 0.00 0.00 42.46 38.95 2nwt s ILE 30 CO -0.00 0.57 -0.04 -0.54 -1.23 0.00 0.00 174.94 173.70 2nwt s LYS 31 N -0.08 2.43 0.01 2.79 1.02 -1.26 -5.12 119.74 119.54 2nwt s LYS 31 Ca -0.06 -0.87 -0.01 0.00 0.02 0.00 0.00 55.97 55.06 2nwt s LYS 31 Cb -0.14 -2.47 -0.04 0.00 -0.52 0.00 0.00 37.83 34.65 2nwt s LYS 31 CO 0.05 0.54 0.13 -0.51 -0.92 0.00 0.00 175.35 174.64 2nwt s LEU 32 N -2.12 4.09 0.35 3.17 2.01 -1.26 -5.09 118.68 119.83 2nwt s LEU 32 Ca 0.23 0.21 -0.08 0.00 0.01 0.00 0.00 54.13 54.50 2nwt s LEU 32 Cb -0.11 -2.47 -0.06 0.00 0.01 0.00 0.00 46.19 43.56 2nwt s LEU 32 CO 0.15 0.25 0.67 -0.70 1.01 0.00 0.00 176.35 177.73 2nwt s GLU 33 N -1.94 3.71 0.20 1.70 2.56 -1.26 -5.09 118.70 118.58 2nwt s GLU 33 Ca 0.26 0.26 0.01 0.00 0.00 0.00 0.00 54.97 55.50 2nwt s GLU 33 Cb -0.12 -2.51 -0.00 0.00 2.00 0.00 0.00 34.13 33.50 2nwt s GLU 33 CO 0.18 0.08 0.04 1.28 -0.56 0.00 0.00 175.26 176.27 2nwt n LEU 34 N -1.14 0.00 0.00 2.70 4.77 -1.26 -5.16 117.00 116.91 2nwt n LEU 34 Ca 0.01 -1.38 0.00 0.00 -0.03 0.00 0.00 56.01 54.61 2nwt n LEU 34 Cb 0.54 0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 2nwt n LEU 34 CO 0.48 -0.20 0.00 1.17 -1.33 0.00 0.00 177.39 177.50 2nwt n LYS 35 N -0.47 1.30 -3.98 3.23 4.81 -1.26 -5.14 118.16 116.64 2nwt n LYS 35 Ca -0.06 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.07 2nwt n LYS 35 Cb 0.27 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.27 2nwt n LYS 35 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2nwt s VAL 36 N 3.38 5.09 0.56 3.15 1.01 -1.26 -5.08 120.40 127.24 2nwt s VAL 36 Ca 0.00 -0.42 -0.21 0.00 0.00 0.00 0.00 61.98 61.36 2nwt s VAL 36 Cb 0.00 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 2nwt s VAL 36 CO 0.00 0.22 1.27 -1.83 0.00 0.00 0.00 175.10 174.76 2nwt s GLU 37 N -2.19 3.13 0.00 2.72 -1.05 -1.26 -5.01 118.70 115.03 2nwt s GLU 37 Ca 0.29 2.00 0.00 0.00 -0.15 0.00 0.00 54.97 57.11 2nwt s GLU 37 Cb -0.13 -2.13 0.00 0.00 -0.44 0.00 0.00 34.13 31.44 2nwt s GLU 37 CO 0.22 -1.13 0.00 -2.30 0.95 0.00 0.00 175.26 173.00 2nwt n PRO 38 N -1.22 -1.32 -3.67 -4.83 -0.02 -1.26 -5.03 135.00 117.65 2nwt n PRO 38 Ca 0.12 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.32 2nwt n PRO 38 Cb 0.47 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.92 2nwt n PRO 38 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2nwt s ILE 39 N -0.95 5.19 0.00 4.25 1.01 -1.26 -5.11 121.20 124.33 2nwt s ILE 39 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.33 2nwt s ILE 39 Cb 0.00 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.74 2nwt s ILE 39 CO 0.00 -0.17 0.00 -0.67 0.00 0.00 0.00 174.94 174.10 2nwt n ASP 40 N -0.63 0.11 -4.77 3.58 -0.08 -1.26 -5.08 116.55 108.42 2nwt n ASP 40 Ca -0.04 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 52.87 2nwt n ASP 40 Cb 0.54 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.99 2nwt n ASP 40 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2nwt s LEU 41 N 0.00 3.91 0.00 -2.67 2.96 -1.26 -5.04 118.68 116.58 2nwt s LEU 41 Ca 0.00 2.27 0.00 0.00 -0.22 0.00 0.00 54.13 56.18 2nwt s LEU 41 Cb 0.00 -4.36 0.00 0.00 0.50 0.00 0.00 46.19 42.33 2nwt s LEU 41 CO 0.00 -1.04 0.00 0.61 -1.32 0.00 0.00 176.35 174.60 2nwt n GLY 42 N 0.36 1.48 3.77 7.98 0.00 -1.26 -4.95 105.19 112.57 2nwt n GLY 42 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 0.11 4.02 0.73 1.61 1.03 -1.26 -4.99 118.70 119.95 2nwt s GLU 43 Ca 0.00 2.30 -0.13 0.00 0.03 0.00 0.00 54.97 57.17 2nwt s GLU 43 Cb 0.00 -2.84 0.04 0.00 -0.80 0.00 0.00 34.13 30.52 2nwt s GLU 43 CO 0.00 -0.50 1.12 -2.14 -1.33 0.00 0.00 175.26 172.40 2nwt s PRO 44 N -2.16 2.40 0.52 -4.83 0.02 -1.26 -5.00 135.00 124.68 2nwt s PRO 44 Ca 0.55 1.36 -0.20 0.00 0.02 0.00 0.00 61.00 62.73 2nwt s PRO 44 Cb -0.41 -1.90 -0.06 0.00 0.02 0.00 0.00 34.50 32.14 2nwt s PRO 44 CO 0.54 -1.56 1.13 0.08 -0.33 0.00 0.00 177.00 176.86 2nwt s VAL 45 N -2.53 3.19 0.05 3.83 1.01 -1.26 -5.04 120.40 119.64 2nwt s VAL 45 Ca 0.66 0.78 0.00 0.00 0.00 0.00 0.00 61.98 63.42 2nwt s VAL 45 Cb -0.20 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.84 2nwt s VAL 45 CO 0.48 -0.12 0.01 -1.20 0.00 0.00 0.00 175.10 174.27 2nwt n SER 46 N -1.05 1.90 -4.78 3.32 7.64 -1.26 -5.12 113.62 114.27 2nwt n SER 46 Ca 0.10 -1.21 -0.36 0.00 1.01 0.00 0.00 58.87 58.41 2nwt n SER 46 Cb 0.50 0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.71 2nwt n SER 46 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2nwt s VAL 47 N -0.95 3.42 0.85 0.44 1.01 -1.26 -5.03 120.40 118.87 2nwt s VAL 47 Ca 0.01 1.02 -0.12 0.00 0.00 0.00 0.00 61.98 62.89 2nwt s VAL 47 Cb -0.00 -3.50 0.10 0.00 0.00 0.00 0.00 36.38 32.98 2nwt s VAL 47 CO 0.00 -0.05 1.16 -1.61 0.00 0.00 0.00 175.10 174.60 2nwt s GLU 48 N -2.76 1.66 0.41 2.72 0.41 -1.26 -4.96 118.70 114.92 2nwt s GLU 48 Ca 0.63 0.20 0.21 0.00 -0.41 0.00 0.00 54.97 55.60 2nwt s GLU 48 Cb -0.24 -1.91 0.83 0.00 -1.78 0.00 0.00 34.13 31.03 2nwt s GLU 48 CO 0.29 -1.82 1.80 0.93 -0.49 0.00 0.00 175.26 175.97 2nwt h GLU 49 N -1.22 0.00 0.00 1.61 4.39 -2.08 -3.19 114.58 114.09 2nwt h GLU 49 Ca -0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 2nwt h GLU 49 Cb 1.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 2nwt h GLU 49 CO 0.64 0.29 0.00 1.51 -1.16 0.00 0.00 179.01 180.29 2nwt n ILE 50 N -3.49 0.93 -2.83 3.13 3.06 -1.26 -4.70 119.36 114.19 2nwt n ILE 50 Ca -0.00 0.29 -0.41 0.00 -2.50 0.00 0.00 62.75 60.12 2nwt n ILE 50 Cb 0.45 -1.18 -0.04 0.00 0.54 0.00 0.00 39.64 39.41 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 -3.25 4.57 0.06 9.51 2.20 -1.21 -5.03 119.74 126.58 2nwt s LYS 51 Ca 0.04 1.26 -0.10 0.00 -0.36 0.00 0.00 55.97 56.81 2nwt s LYS 51 Cb 0.09 -3.41 0.01 0.00 -1.51 0.00 0.00 37.83 33.00 2nwt s LYS 51 CO 0.33 0.13 0.23 -1.59 -0.36 0.00 0.00 175.35 174.08 2nwt s LYS 52 N 0.42 0.78 0.51 4.03 -2.85 -1.26 -5.07 119.74 116.30 2nwt s LYS 52 Ca 0.45 -0.70 -0.17 0.00 -1.00 0.00 0.00 55.97 54.56 2nwt s LYS 52 Cb -0.21 0.32 -0.08 0.00 -2.06 0.00 0.00 37.83 35.80 2nwt s LYS 52 CO 0.26 -0.24 0.98 0.42 0.10 0.00 0.00 175.35 176.87 2nwt s ILE 53 N -2.98 4.53 -0.36 3.79 1.01 -1.26 -4.99 121.20 120.95 2nwt s ILE 53 Ca -0.02 1.22 -0.29 0.00 0.00 0.00 0.00 60.65 61.56 2nwt s ILE 53 Cb 0.01 -3.72 -0.00 0.00 0.01 0.00 0.00 42.46 38.76 2nwt s ILE 53 CO -0.06 -0.67 1.59 -0.13 0.00 0.00 0.00 174.94 175.66 2nwt s ARG 54 N -4.03 3.50 0.23 2.79 3.00 -1.26 -4.98 118.95 118.21 2nwt s ARG 54 Ca 0.59 1.21 0.03 0.00 0.00 0.00 0.00 55.73 57.56 2nwt s ARG 54 Cb -0.10 -4.09 -0.03 0.00 0.00 0.00 0.00 34.95 30.72 2nwt s ARG 54 CO 0.31 -1.66 0.37 0.16 0.00 0.00 0.00 175.30 174.48 2nwt s ASP 55 N 4.83 6.33 -0.30 0.23 -4.77 -1.26 -5.10 116.67 116.63 2nwt s ASP 55 Ca 0.70 0.17 -0.14 0.00 -3.30 0.00 0.00 52.55 49.98 2nwt s ASP 55 Cb -0.18 -1.91 0.18 0.00 -1.09 0.00 0.00 42.92 39.92 2nwt s ASP 55 CO 0.33 -0.07 1.05 -0.83 0.70 0.00 0.00 175.17 176.35 2nwt s GLY 56 N -3.77 -0.25 0.30 2.12 0.00 -1.26 -5.18 107.32 99.29 2nwt s GLY 56 Ca 0.35 2.92 0.03 0.00 0.00 0.00 0.00 44.72 48.02 2nwt s GLY 56 CO 0.30 3.62 0.18 -1.08 0.00 0.00 0.00 173.10 176.12 2nwt s THR 57 N 2.74 0.24 0.10 0.90 -1.32 -1.26 -5.17 115.64 111.87 2nwt s THR 57 Ca -0.01 -2.00 0.09 0.00 -1.21 0.00 0.00 61.69 58.56 2nwt s THR 57 Cb -0.08 -2.50 -0.04 0.00 -1.51 0.00 0.00 72.50 68.37 2nwt s THR 57 CO -0.13 0.00 -0.21 0.86 -2.21 0.00 0.00 174.62 172.93 2nwt s TRP 58 N -3.63 2.47 -0.14 9.09 -0.11 -1.26 -5.12 118.94 120.24 2nwt s TRP 58 Ca 0.36 -0.30 -0.00 0.00 1.22 0.00 0.00 56.10 57.38 2nwt s TRP 58 Cb 0.05 -1.35 -0.01 0.00 -1.50 0.00 0.00 33.47 30.66 2nwt s TRP 58 CO 0.19 0.33 -0.14 1.41 -4.62 0.00 0.00 176.95 174.12 2nwt s MET 59 N -1.92 3.33 0.01 5.86 -2.45 -1.26 -4.94 119.30 117.93 2nwt s MET 59 Ca 0.16 -0.70 -0.01 0.00 -1.25 0.00 0.00 55.69 53.89 2nwt s MET 59 Cb -0.10 -2.64 0.00 0.00 1.25 0.00 0.00 34.83 33.34 2nwt s MET 59 CO 0.08 0.14 0.02 0.43 1.05 0.00 0.00 175.02 176.73 2nwt n SER 60 N 3.73 -8.37 -1.02 1.11 7.64 -1.26 -4.84 113.62 110.61 2nwt n SER 60 Ca -0.18 1.67 0.03 0.00 1.01 0.00 0.00 58.87 61.40 2nwt n SER 60 Cb 0.52 -4.85 0.17 0.00 -1.01 0.00 0.00 64.21 59.04 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 1.66 2.81 -2.46 6.43 7.64 -1.26 -4.82 113.62 123.61 2nwt n SER 61 Ca -0.03 -2.34 -0.20 0.00 1.01 0.00 0.00 58.87 57.32 2nwt n SER 61 Cb 0.04 -0.53 -0.01 0.00 -1.01 0.00 0.00 64.21 62.70 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 0.28 -1.86 -4.59 -3.43 4.77 -1.26 -4.91 117.00 106.00 2nwt n LEU 62 Ca 0.11 -0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.67 2nwt n LEU 62 Cb 0.60 -2.81 -0.02 0.00 -2.33 0.00 0.00 43.42 38.85 2nwt n LEU 62 CO 0.13 -0.17 1.22 -1.61 -1.33 0.00 0.00 177.39 175.63 2nwt s GLU 63 N -5.10 3.46 -0.57 3.23 2.02 -1.26 -4.96 118.70 115.51 2nwt s GLU 63 Ca 0.03 0.67 -0.04 0.00 0.02 0.00 0.00 54.97 55.64 2nwt s GLU 63 Cb -0.01 -4.06 0.15 0.00 0.10 0.00 0.00 34.13 30.31 2nwt s GLU 63 CO 0.03 -1.73 0.40 -3.38 0.02 0.00 0.00 175.26 170.60 2nwt s HIS 64 N 5.64 3.48 -0.50 1.61 -3.43 -1.26 -5.05 115.29 115.78 2nwt s HIS 64 Ca 0.56 -2.50 -0.18 0.00 -0.80 0.00 0.00 55.06 52.13 2nwt s HIS 64 Cb -0.11 -3.28 0.07 0.00 -1.43 0.00 0.00 32.58 27.82 2nwt s HIS 64 CO 0.29 -0.90 0.57 -1.58 -2.00 0.00 0.00 174.74 171.12 2nwt s HIS 65 N 0.39 3.10 0.03 0.38 5.04 -1.26 -5.04 115.29 117.92 2nwt s HIS 65 Ca 0.14 -0.68 -0.23 0.00 -1.54 0.00 0.00 55.06 52.74 2nwt s HIS 65 Cb -0.21 -3.49 -0.05 0.00 0.04 0.00 0.00 32.58 28.87 2nwt s HIS 65 CO -0.04 -0.99 0.71 -1.58 -2.34 0.00 0.00 174.74 170.50 2nwt s HIS 66 N 2.37 3.72 -0.16 3.88 2.46 -1.26 -5.05 115.29 121.25 2nwt s HIS 66 Ca 0.12 1.38 -0.10 0.00 0.47 0.00 0.00 55.06 56.93 2nwt s HIS 66 Cb -0.21 -2.75 -0.05 0.00 -0.13 0.00 0.00 32.58 29.44 2nwt s HIS 66 CO 0.10 0.30 0.18 -1.01 -2.47 0.00 0.00 174.74 171.83 2nwt s HIS 67 N -0.09 3.49 -0.48 3.88 3.76 -1.26 -5.06 115.29 119.53 2nwt s HIS 67 Ca 0.36 0.47 -0.22 0.00 -0.15 0.00 0.00 55.06 55.52 2nwt s HIS 67 Cb -0.20 -2.13 0.03 0.00 1.11 0.00 0.00 32.58 31.39 2nwt s HIS 67 CO 0.21 0.43 0.75 -1.58 -0.85 0.00 0.00 174.74 173.70 2nwt s HIS 68 N -0.10 2.98 0.00 1.40 2.46 -1.26 -5.35 115.29 115.42 2nwt s HIS 68 Ca 0.12 -0.05 0.00 0.00 0.47 0.00 0.00 55.06 55.60 2nwt s HIS 68 Cb -0.12 -3.65 0.00 0.00 -0.13 0.00 0.00 32.58 28.68 2nwt s HIS 68 CO 0.02 -1.04 0.00 1.58 -2.47 0.00 0.00 174.74 172.82