#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nw3 s GLN 2 N 0.00 1.71 -0.06 0.38 -0.21 -1.26 -4.78 119.66 115.45 2nw3 s GLN 2 Ca 0.00 -1.18 0.03 0.00 0.02 0.00 0.00 55.36 54.23 2nw3 s GLN 2 Cb 0.00 -2.02 0.00 0.00 1.00 0.00 0.00 33.01 32.00 2nw3 s GLN 2 CO 0.00 0.49 -0.16 1.03 -2.12 0.00 0.00 175.29 174.53 2nw3 s ARG 3 N -1.72 1.90 0.23 2.91 0.52 0.87 -4.94 118.95 118.71 2nw3 s ARG 3 Ca 0.14 -0.55 -0.24 0.00 -0.52 0.00 0.00 55.73 54.57 2nw3 s ARG 3 Cb -0.10 -1.57 -0.09 0.00 0.52 0.00 0.00 34.95 33.71 2nw3 s ARG 3 CO 0.05 0.13 0.81 -0.08 0.02 0.00 0.00 175.30 176.24 2nw3 s THR 4 N 0.37 4.38 0.38 0.02 -1.32 -1.26 -1.39 115.64 116.82 2nw3 s THR 4 Ca -0.11 1.61 -0.27 0.00 -1.21 0.00 0.00 61.69 61.71 2nw3 s THR 4 Cb -0.14 -4.01 -0.09 0.00 -1.51 0.00 0.00 72.50 66.74 2nw3 s THR 4 CO 0.04 0.30 1.27 -2.16 -2.21 0.00 0.00 174.62 171.86 2nw3 s PRO 5 N -1.70 4.12 0.41 7.08 0.04 -1.26 -4.32 135.00 139.36 2nw3 s PRO 5 Ca 0.43 2.11 -0.18 0.00 0.04 0.00 0.00 61.00 63.39 2nw3 s PRO 5 Cb -0.20 -2.85 -0.10 0.00 0.04 0.00 0.00 34.50 31.40 2nw3 s PRO 5 CO 0.24 -0.35 0.89 0.15 0.04 0.00 0.00 177.00 177.97 2nw3 s LYS 6 N -2.09 4.12 -0.03 4.56 1.02 0.92 -4.91 119.74 123.32 2nw3 s LYS 6 Ca 0.54 0.96 0.00 0.00 0.02 0.00 0.00 55.97 57.49 2nw3 s LYS 6 Cb -0.37 -2.24 0.03 0.00 -0.52 0.00 0.00 37.83 34.72 2nw3 s LYS 6 CO 0.48 -0.02 0.01 0.42 -0.92 0.00 0.00 175.35 175.32 2nw3 s ILE 7 N -2.20 0.11 -0.05 2.17 1.01 -1.26 -1.71 121.20 119.27 2nw3 s ILE 7 Ca 0.59 0.14 0.03 0.00 0.00 0.00 0.00 60.65 61.41 2nw3 s ILE 7 Cb -0.09 -0.23 0.00 0.00 0.01 0.00 0.00 42.46 42.15 2nw3 s ILE 7 CO 0.17 0.14 -0.14 -1.10 0.00 0.00 0.00 174.94 174.01 2nw3 s GLN 8 N 1.12 1.62 -0.12 2.79 -0.21 -0.50 -4.99 119.66 119.36 2nw3 s GLN 8 Ca -0.08 -0.48 0.03 0.00 0.02 0.00 0.00 55.36 54.85 2nw3 s GLN 8 Cb -0.13 -1.38 0.00 0.00 1.00 0.00 0.00 33.01 32.50 2nw3 s GLN 8 CO -0.02 0.13 -0.21 0.08 -2.12 0.00 0.00 175.29 173.14 2nw3 s VAL 9 N 0.33 2.23 0.10 1.09 1.01 -1.26 -0.65 120.40 123.25 2nw3 s VAL 9 Ca -0.08 -0.94 -0.26 0.00 0.00 0.00 0.00 61.98 60.69 2nw3 s VAL 9 Cb -0.13 -1.89 0.08 0.00 0.00 0.00 0.00 36.38 34.44 2nw3 s VAL 9 CO 0.03 0.55 0.91 -0.72 0.00 0.00 0.00 175.10 175.86 2nw3 s TYR 10 N 0.58 -0.23 0.12 5.22 1.13 -0.46 -4.50 117.35 119.20 2nw3 s TYR 10 Ca -0.12 -0.02 0.01 0.00 -1.41 0.00 0.00 57.07 55.54 2nw3 s TYR 10 Cb -0.17 0.60 -0.04 0.00 -1.10 0.00 0.00 41.96 41.26 2nw3 s TYR 10 CO 0.04 -0.74 0.26 -1.54 -2.51 0.00 0.00 175.55 171.06 2nw3 s SER 11 N -2.77 6.35 0.14 -0.18 1.04 -1.26 -0.44 113.70 116.59 2nw3 s SER 11 Ca 0.09 0.23 -0.16 0.00 0.48 0.00 0.00 55.95 56.58 2nw3 s SER 11 Cb -0.01 -1.94 0.00 0.00 0.10 0.00 0.00 66.02 64.17 2nw3 s SER 11 CO -0.02 0.09 1.75 -0.09 0.98 0.00 0.00 173.24 175.94 2nw3 h ARG 12 N 2.48 0.56 -6.51 4.02 2.43 -1.49 -3.45 114.38 112.41 2nw3 h ARG 12 Ca -0.47 -0.06 -0.64 0.00 -0.81 0.00 0.00 59.98 57.99 2nw3 h ARG 12 Cb 1.18 -0.11 -0.17 0.00 -0.42 0.00 0.00 29.97 30.46 2nw3 h ARG 12 CO 0.71 0.45 -0.78 -1.01 -1.51 0.00 0.00 179.97 177.83 2nw3 s HIS 13 N -5.86 2.41 0.17 2.20 3.76 -1.26 -5.04 115.29 111.67 2nw3 s HIS 13 Ca -0.13 -0.31 -0.33 0.00 -0.15 0.00 0.00 55.06 54.14 2nw3 s HIS 13 Cb 0.10 -1.17 -0.16 0.00 1.11 0.00 0.00 32.58 32.46 2nw3 s HIS 13 CO 0.74 0.53 1.10 -2.30 -0.85 0.00 0.00 174.74 173.96 2nw3 n PRO 14 N 0.08 1.02 -2.33 8.40 -0.02 -1.26 -4.83 135.00 136.05 2nw3 n PRO 14 Ca -0.11 0.36 -0.42 0.00 -2.02 0.00 0.00 63.50 61.31 2nw3 n PRO 14 Cb 0.56 -1.82 -0.03 0.00 -0.02 0.00 0.00 33.50 32.20 2nw3 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nw3 s ALA 15 N -0.29 3.56 -0.19 3.55 0.00 -1.26 -5.00 121.76 122.12 2nw3 s ALA 15 Ca 0.73 0.74 -0.01 0.00 0.00 0.00 0.00 51.96 53.42 2nw3 s ALA 15 Cb -0.88 -3.57 0.05 0.00 0.00 0.00 0.00 23.12 18.72 2nw3 s ALA 15 CO 0.53 -0.89 -0.03 -1.21 0.00 0.00 0.00 175.76 174.15 2nw3 s GLU 16 N 2.49 1.32 0.21 0.00 2.02 -1.26 -5.12 118.70 118.37 2nw3 s GLU 16 Ca 0.60 -0.64 -0.32 0.00 0.02 0.00 0.00 54.97 54.63 2nw3 s GLU 16 Cb -0.28 -2.21 -0.15 0.00 0.10 0.00 0.00 34.13 31.60 2nw3 s GLU 16 CO 0.24 -0.53 1.20 0.09 0.02 0.00 0.00 175.26 176.28 2nw3 n ASN 17 N 4.85 1.71 0.00 -0.19 3.02 -1.26 -0.76 115.26 122.63 2nw3 n ASN 17 Ca -0.11 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.59 2nw3 n ASN 17 Cb 0.46 -1.28 0.00 0.00 -0.61 0.00 0.00 39.78 38.35 2nw3 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2nw3 n GLY 18 N 1.91 0.98 3.31 7.41 0.00 0.56 -4.97 105.19 114.39 2nw3 n GLY 18 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 2nw3 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2nw3 s LYS 19 N -0.04 3.35 0.40 1.61 2.20 0.06 -5.00 119.74 122.33 2nw3 s LYS 19 Ca 0.00 -0.65 -0.25 0.00 -0.36 0.00 0.00 55.97 54.71 2nw3 s LYS 19 Cb 0.00 -3.03 -0.11 0.00 -1.51 0.00 0.00 37.83 33.18 2nw3 s LYS 19 CO 0.00 -0.22 1.14 0.45 -0.36 0.00 0.00 175.35 176.36 2nw3 n SER 20 N 4.80 1.91 -0.59 1.43 2.88 -1.26 -4.17 113.62 118.62 2nw3 n SER 20 Ca -0.18 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 2nw3 n SER 20 Cb 0.51 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 2nw3 n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2nw3 n ASN 21 N 0.45 0.00 -4.05 -3.46 2.85 0.79 -4.98 115.26 106.87 2nw3 n ASN 21 Ca 0.08 -0.59 -0.23 0.00 -0.11 0.00 0.00 54.58 53.73 2nw3 n ASN 21 Cb 0.38 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.25 2nw3 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2nw3 s PHE 22 N -5.46 1.32 -0.20 1.20 0.40 -1.26 -2.15 117.98 111.83 2nw3 s PHE 22 Ca 0.00 -0.39 -0.14 0.00 -0.60 0.00 0.00 56.93 55.80 2nw3 s PHE 22 Cb 0.00 -0.93 -0.04 0.00 0.51 0.00 0.00 43.02 42.56 2nw3 s PHE 22 CO 0.00 -0.17 0.32 -1.17 0.70 0.00 0.00 175.22 174.90 2nw3 s LEU 23 N 0.28 4.16 -0.06 -0.37 2.96 0.33 -1.10 118.68 124.89 2nw3 s LEU 23 Ca -0.06 0.41 0.04 0.00 -0.22 0.00 0.00 54.13 54.29 2nw3 s LEU 23 Cb -0.12 -2.38 -0.02 0.00 0.50 0.00 0.00 46.19 44.17 2nw3 s LEU 23 CO 0.02 -0.01 -0.17 0.20 -1.32 0.00 0.00 176.35 175.07 2nw3 s ASN 24 N 0.95 3.78 -0.17 3.68 0.01 0.42 -1.63 114.94 121.98 2nw3 s ASN 24 Ca 0.16 -0.29 0.00 0.00 -0.71 0.00 0.00 52.86 52.02 2nw3 s ASN 24 Cb -0.14 -0.89 0.04 0.00 0.41 0.00 0.00 41.25 40.67 2nw3 s ASN 24 CO 0.06 0.30 -0.08 0.00 -1.51 0.00 0.00 177.10 175.88 2nw3 s TYR 26 N 1.55 3.12 -0.12 0.00 5.04 0.17 -0.87 117.35 126.25 2nw3 s TYR 26 Ca 0.01 -0.66 -0.01 0.00 -2.44 0.00 0.00 57.07 53.97 2nw3 s TYR 26 Cb -0.15 -2.26 -0.03 0.00 0.35 0.00 0.00 41.96 39.87 2nw3 s TYR 26 CO -0.08 -0.46 -0.07 0.14 -1.34 0.00 0.00 175.55 173.74 2nw3 s VAL 27 N 1.57 3.68 0.22 3.14 -7.23 -0.39 -1.41 120.40 119.99 2nw3 s VAL 27 Ca 0.05 -0.46 -0.12 0.00 -1.81 0.00 0.00 61.98 59.64 2nw3 s VAL 27 Cb -0.16 -2.56 -0.00 0.00 0.56 0.00 0.00 36.38 34.22 2nw3 s VAL 27 CO 0.04 0.54 0.43 -0.94 -0.31 0.00 0.00 175.10 174.85 2nw3 s SER 28 N -0.12 -0.07 -0.98 4.85 1.04 -0.70 -1.02 113.70 116.70 2nw3 s SER 28 Ca 0.01 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.56 2nw3 s SER 28 Cb -0.13 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2nw3 s SER 28 CO 0.03 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.79 2nw3 n GLY 29 N -0.34 1.05 3.84 7.32 0.00 -0.74 -0.06 105.19 116.26 2nw3 n GLY 29 Ca -0.04 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 2nw3 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2nw3 s PHE 30 N -2.19 3.21 -0.28 1.61 -0.12 -1.21 -4.32 117.98 114.68 2nw3 s PHE 30 Ca 0.00 -0.02 -0.17 0.00 -0.05 0.00 0.00 56.93 56.69 2nw3 s PHE 30 Cb 0.00 -1.51 0.11 0.00 -0.63 0.00 0.00 43.02 40.98 2nw3 s PHE 30 CO 0.00 0.51 0.82 -1.58 -0.05 0.00 0.00 175.22 174.92 2nw3 s HIS 31 N -1.85 -0.83 0.44 3.49 2.46 -0.49 -0.74 115.29 117.77 2nw3 s HIS 31 Ca 0.32 1.69 -0.07 0.00 0.47 0.00 0.00 55.06 57.47 2nw3 s HIS 31 Cb -0.10 0.49 0.11 0.00 -0.13 0.00 0.00 32.58 32.95 2nw3 s HIS 31 CO 0.25 -0.41 0.47 -0.35 -2.47 0.00 0.00 174.74 172.23 2nw3 n PRO 32 N 3.85 -1.25 0.17 2.88 -0.04 -1.26 -0.09 135.00 139.26 2nw3 n PRO 32 Ca -0.19 -0.74 0.09 0.00 -0.04 0.00 0.00 63.50 62.63 2nw3 n PRO 32 Cb 0.58 -0.59 0.09 0.00 -0.04 0.00 0.00 33.50 33.54 2nw3 n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2nw3 h SER 33 N -1.24 0.00 -2.66 3.54 4.64 -1.99 -3.46 113.55 112.38 2nw3 h SER 33 Ca -0.16 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.63 2nw3 h SER 33 Cb 0.48 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.62 2nw3 h SER 33 CO 0.11 0.16 1.02 -1.81 -0.87 0.00 0.00 176.83 175.44 2nw3 s ASP 34 N -6.11 6.40 -0.14 4.97 1.01 -1.26 -4.98 116.67 116.56 2nw3 s ASP 34 Ca 0.04 2.84 -0.26 0.00 0.71 0.00 0.00 52.55 55.89 2nw3 s ASP 34 Cb 0.07 -2.60 0.06 0.00 1.01 0.00 0.00 42.92 41.46 2nw3 s ASP 34 CO 0.72 -0.97 0.64 -0.51 0.21 0.00 0.00 175.17 175.26 2nw3 s ILE 35 N 1.34 0.00 -0.17 0.77 2.07 -1.26 -4.62 121.20 119.33 2nw3 s ILE 35 Ca 0.75 -0.04 -0.01 0.00 -1.41 0.00 0.00 60.65 59.94 2nw3 s ILE 35 Cb -0.49 -0.93 -0.01 0.00 0.13 0.00 0.00 42.46 41.16 2nw3 s ILE 35 CO 0.32 -0.02 -0.11 -1.61 -1.91 0.00 0.00 174.94 171.61 2nw3 s GLU 36 N -0.50 3.31 -0.07 3.50 2.02 -0.49 -5.01 118.70 121.45 2nw3 s GLU 36 Ca -0.06 -0.69 -0.01 0.00 0.02 0.00 0.00 54.97 54.23 2nw3 s GLU 36 Cb -0.03 -2.75 0.03 0.00 0.10 0.00 0.00 34.13 31.48 2nw3 s GLU 36 CO 0.05 -0.01 -0.01 0.08 0.02 0.00 0.00 175.26 175.39 2nw3 s VAL 37 N 0.93 0.42 0.01 2.63 1.01 -1.26 -1.15 120.40 122.99 2nw3 s VAL 37 Ca -0.02 0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.10 2nw3 s VAL 37 Cb -0.15 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 2nw3 s VAL 37 CO -0.01 0.26 -0.19 -1.81 0.00 0.00 0.00 175.10 173.35 2nw3 s ASP 38 N 1.84 3.68 -0.17 3.32 1.01 -0.39 -4.98 116.67 120.98 2nw3 s ASP 38 Ca 0.03 -0.38 -0.09 0.00 0.71 0.00 0.00 52.55 52.81 2nw3 s ASP 38 Cb -0.12 -0.60 -0.05 0.00 1.01 0.00 0.00 42.92 43.16 2nw3 s ASP 38 CO -0.05 0.29 0.15 -0.76 0.21 0.00 0.00 175.17 175.01 2nw3 s LEU 39 N -1.10 4.28 -0.04 1.23 1.43 -1.26 -0.17 118.68 123.06 2nw3 s LEU 39 Ca 0.13 0.34 0.03 0.00 -1.03 0.00 0.00 54.13 53.60 2nw3 s LEU 39 Cb -0.10 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 2nw3 s LEU 39 CO 0.03 0.25 -0.10 -0.76 0.23 0.00 0.00 176.35 176.00 2nw3 s LEU 40 N -0.13 2.99 -0.22 1.79 1.43 0.51 0.20 118.68 125.26 2nw3 s LEU 40 Ca 0.11 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 2nw3 s LEU 40 Cb -0.12 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.47 2nw3 s LEU 40 CO 0.01 0.33 -0.13 -0.75 0.23 0.00 0.00 176.35 176.04 2nw3 s LYS 41 N -0.98 2.81 -1.47 1.70 2.20 0.44 -1.72 119.74 122.71 2nw3 s LYS 41 Ca 0.13 -0.97 -0.09 0.00 -0.36 0.00 0.00 55.97 54.69 2nw3 s LYS 41 Cb -0.11 -2.79 0.06 0.00 -1.51 0.00 0.00 37.83 33.48 2nw3 s LYS 41 CO 0.03 -0.34 0.79 0.09 -0.36 0.00 0.00 175.35 175.56 2nw3 n ASN 42 N 4.61 -2.91 0.00 1.43 3.02 0.15 -1.44 115.26 120.11 2nw3 n ASN 42 Ca -0.18 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 2nw3 n ASN 42 Cb 0.47 -3.65 0.00 0.00 -0.61 0.00 0.00 39.78 35.99 2nw3 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2nw3 n GLY 43 N -1.67 2.62 3.76 7.41 0.00 -1.26 -5.02 105.19 111.03 2nw3 n GLY 43 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 2nw3 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nw3 s GLU 44 N -0.11 4.05 0.09 1.61 2.02 -0.52 -4.99 118.70 120.84 2nw3 s GLU 44 Ca 0.00 -0.19 -0.32 0.00 0.02 0.00 0.00 54.97 54.48 2nw3 s GLU 44 Cb 0.00 -3.37 -0.11 0.00 0.10 0.00 0.00 34.13 30.74 2nw3 s GLU 44 CO 0.00 0.39 1.82 -2.13 0.02 0.00 0.00 175.26 175.37 2nw3 n ARG 45 N 3.22 2.62 -2.62 1.61 0.63 -1.26 -0.42 116.66 120.44 2nw3 n ARG 45 Ca -0.17 0.95 -0.41 0.00 -0.92 0.00 0.00 57.85 57.31 2nw3 n ARG 45 Cb 0.53 -2.83 -0.04 0.00 0.45 0.00 0.00 32.46 30.56 2nw3 n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2nw3 s ILE 46 N 2.85 4.16 0.25 5.15 1.01 0.13 -4.88 121.20 129.88 2nw3 s ILE 46 Ca 0.84 1.84 -0.12 0.00 0.00 0.00 0.00 60.65 63.20 2nw3 s ILE 46 Cb -0.54 -4.17 -0.08 0.00 0.01 0.00 0.00 42.46 37.68 2nw3 s ILE 46 CO 0.40 0.30 0.62 -0.70 0.00 0.00 0.00 174.94 175.56 2nw3 s GLU 47 N -0.20 3.90 -0.27 2.79 2.12 -1.26 -4.41 118.70 121.38 2nw3 s GLU 47 Ca 0.48 0.44 0.00 0.00 0.36 0.00 0.00 54.97 56.26 2nw3 s GLU 47 Cb -0.27 -2.61 0.00 0.00 0.26 0.00 0.00 34.13 31.52 2nw3 s GLU 47 CO 0.32 0.28 0.00 1.63 -0.54 0.00 0.00 175.26 176.95 2nw3 n LYS 48 N -0.10 -0.31 -1.82 4.30 5.02 -1.26 -5.00 118.16 118.99 2nw3 n LYS 48 Ca 0.01 0.44 -0.42 0.00 -2.02 0.00 0.00 58.31 56.32 2nw3 n LYS 48 Cb 0.53 -3.97 -0.02 0.00 -0.02 0.00 0.00 35.03 31.54 2nw3 n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2nw3 s VAL 49 N -2.03 2.23 0.37 -0.18 1.01 -1.26 -4.99 120.40 115.55 2nw3 s VAL 49 Ca 0.00 0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.23 2nw3 s VAL 49 Cb 0.00 -3.11 -0.00 0.00 0.00 0.00 0.00 36.38 33.27 2nw3 s VAL 49 CO 0.00 0.02 0.51 -1.61 0.00 0.00 0.00 175.10 174.02 2nw3 s GLU 50 N 0.23 2.99 0.09 2.72 2.02 -0.73 -4.93 118.70 121.09 2nw3 s GLU 50 Ca 0.67 -1.12 -0.11 0.00 0.02 0.00 0.00 54.97 54.43 2nw3 s GLU 50 Cb -0.47 -2.79 0.01 0.00 0.10 0.00 0.00 34.13 30.98 2nw3 s GLU 50 CO 0.40 -0.08 0.26 -3.38 0.02 0.00 0.00 175.26 172.48 2nw3 s HIS 51 N -2.25 0.02 0.93 1.61 -3.43 -1.26 -1.02 115.29 109.89 2nw3 s HIS 51 Ca 0.49 -0.39 -0.12 0.00 -0.80 0.00 0.00 55.06 54.25 2nw3 s HIS 51 Cb -0.10 0.04 0.15 0.00 -1.43 0.00 0.00 32.58 31.25 2nw3 s HIS 51 CO 0.32 -0.58 1.09 -1.54 -2.00 0.00 0.00 174.74 172.03 2nw3 s SER 52 N -2.74 3.17 0.29 7.38 1.04 0.11 -4.98 113.70 117.97 2nw3 s SER 52 Ca 0.03 1.34 -0.28 0.00 0.48 0.00 0.00 55.95 57.52 2nw3 s SER 52 Cb 0.03 -2.02 -0.09 0.00 0.10 0.00 0.00 66.02 64.04 2nw3 s SER 52 CO -0.10 -2.81 1.02 -1.81 0.98 0.00 0.00 173.24 170.52 2nw3 s ASP 53 N -3.47 7.32 0.09 7.02 1.01 -1.26 -4.79 116.67 122.59 2nw3 s ASP 53 Ca 0.64 2.08 -0.32 0.00 0.71 0.00 0.00 52.55 55.66 2nw3 s ASP 53 Cb -0.18 -2.61 -0.12 0.00 1.01 0.00 0.00 42.92 41.02 2nw3 s ASP 53 CO 0.57 -0.09 1.79 -0.11 0.21 0.00 0.00 175.17 177.54 2nw3 n LEU 54 N 1.02 3.72 -4.19 1.23 7.94 -1.26 -4.95 117.00 120.52 2nw3 n LEU 54 Ca -0.00 1.01 -0.17 0.00 -1.11 0.00 0.00 56.01 55.73 2nw3 n LEU 54 Cb 0.47 -1.49 -0.06 0.00 0.53 0.00 0.00 43.42 42.87 2nw3 n LEU 54 CO 0.50 0.03 0.01 -0.55 -1.11 0.00 0.00 177.39 176.28 2nw3 s SER 55 N 2.56 1.31 0.08 1.96 0.15 -1.24 -5.06 113.70 113.46 2nw3 s SER 55 Ca 0.83 -1.63 -0.08 0.00 0.70 0.00 0.00 55.95 55.77 2nw3 s SER 55 Cb -0.57 0.61 -0.01 0.00 -1.71 0.00 0.00 66.02 64.35 2nw3 s SER 55 CO 0.40 -1.18 0.16 0.72 1.20 0.00 0.00 173.24 174.54 2nw3 s PHE 56 N -3.23 0.18 0.79 3.44 -0.71 -1.26 -1.73 117.98 115.47 2nw3 s PHE 56 Ca 0.36 -0.60 -0.07 0.00 -1.04 0.00 0.00 56.93 55.58 2nw3 s PHE 56 Cb 0.01 -0.10 0.14 0.00 -1.21 0.00 0.00 43.02 41.86 2nw3 s PHE 56 CO 0.24 -0.51 1.10 -1.12 -1.34 0.00 0.00 175.22 173.60 2nw3 s SER 57 N -2.76 4.03 0.48 1.98 0.01 0.44 -4.93 113.70 112.95 2nw3 s SER 57 Ca 0.04 -0.02 0.14 0.00 1.31 0.00 0.00 55.95 57.41 2nw3 s SER 57 Cb 0.04 -0.30 1.11 0.00 0.21 0.00 0.00 66.02 67.08 2nw3 s SER 57 CO -0.10 -2.10 2.08 0.11 0.41 0.00 0.00 173.24 173.64 2nw3 h LYS 58 N -0.89 0.09 -0.35 12.44 1.57 -2.03 0.36 116.57 127.76 2nw3 h LYS 58 Ca -0.40 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2nw3 h LYS 58 Cb 1.26 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2nw3 h LYS 58 CO 0.43 0.13 0.00 -0.40 -0.57 0.00 0.00 179.45 179.03 2nw3 n ASP 59 N -4.45 0.85 0.00 0.86 5.68 -1.26 -4.89 116.55 113.34 2nw3 n ASP 59 Ca -0.02 -2.04 0.00 0.00 -0.50 0.00 0.00 54.79 52.23 2nw3 n ASP 59 Cb 0.14 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 2nw3 n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2nw3 n TRP 60 N -0.13 0.00 -2.46 2.11 7.02 0.12 -5.01 117.44 119.09 2nw3 n TRP 60 Ca 0.03 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.15 2nw3 n TRP 60 Cb 0.17 -0.41 -0.03 0.00 -2.42 0.00 0.00 31.31 28.62 2nw3 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2nw3 s SER 61 N -2.84 6.49 0.41 -0.99 1.04 -1.26 -4.70 113.70 111.86 2nw3 s SER 61 Ca 0.00 2.10 -0.10 0.00 0.48 0.00 0.00 55.95 58.43 2nw3 s SER 61 Cb 0.00 -2.59 -0.06 0.00 0.10 0.00 0.00 66.02 63.47 2nw3 s SER 61 CO 0.00 -0.68 0.77 -0.36 0.98 0.00 0.00 173.24 173.95 2nw3 s PHE 62 N -1.69 3.48 0.01 5.02 0.08 0.08 -0.42 117.98 124.54 2nw3 s PHE 62 Ca 0.62 1.03 -0.03 0.00 0.12 0.00 0.00 56.93 58.66 2nw3 s PHE 62 Cb -0.23 -2.43 -0.01 0.00 -0.57 0.00 0.00 43.02 39.78 2nw3 s PHE 62 CO 0.28 -0.12 0.04 1.52 -0.10 0.00 0.00 175.22 176.84 2nw3 s TYR 63 N -2.40 0.15 -0.05 0.36 -0.85 -0.71 -1.79 117.35 112.05 2nw3 s TYR 63 Ca 0.51 -0.32 -0.10 0.00 -0.52 0.00 0.00 57.07 56.64 2nw3 s TYR 63 Cb -0.10 -0.12 0.02 0.00 0.38 0.00 0.00 41.96 42.14 2nw3 s TYR 63 CO 0.33 -0.21 0.25 -0.51 -1.52 0.00 0.00 175.55 173.88 2nw3 s LEU 64 N -1.30 1.08 -0.22 -3.49 1.43 -0.19 -3.69 118.68 112.30 2nw3 s LEU 64 Ca -0.14 0.24 -0.04 0.00 -1.03 0.00 0.00 54.13 53.16 2nw3 s LEU 64 Cb -0.08 0.96 -0.01 0.00 0.03 0.00 0.00 46.19 47.09 2nw3 s LEU 64 CO 0.00 -0.26 -0.03 -0.22 0.23 0.00 0.00 176.35 176.07 2nw3 s LEU 65 N -0.62 2.97 -0.16 1.79 2.96 -1.26 -1.26 118.68 123.10 2nw3 s LEU 65 Ca -0.07 -0.36 -0.08 0.00 -0.22 0.00 0.00 54.13 53.40 2nw3 s LEU 65 Cb -0.04 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 2nw3 s LEU 65 CO 0.02 -0.01 0.11 -0.31 -1.32 0.00 0.00 176.35 174.84 2nw3 s TYR 66 N 1.42 3.42 0.04 5.38 1.51 -0.05 -0.71 117.35 128.36 2nw3 s TYR 66 Ca 0.05 0.33 -0.14 0.00 -1.01 0.00 0.00 57.07 56.30 2nw3 s TYR 66 Cb -0.14 -2.05 0.02 0.00 -0.11 0.00 0.00 41.96 39.68 2nw3 s TYR 66 CO -0.02 0.42 0.32 1.52 -1.11 0.00 0.00 175.55 176.67 2nw3 s TYR 67 N -0.17 -0.12 -0.03 2.71 1.13 -0.19 -0.32 117.35 120.36 2nw3 s TYR 67 Ca 0.10 0.01 -0.24 0.00 -1.41 0.00 0.00 57.07 55.53 2nw3 s TYR 67 Cb -0.12 0.11 0.05 0.00 -1.10 0.00 0.00 41.96 40.90 2nw3 s TYR 67 CO 0.01 -0.51 0.52 -0.08 -2.51 0.00 0.00 175.55 172.98 2nw3 s THR 68 N -2.49 0.03 0.28 -3.49 -1.32 -0.64 -1.77 115.64 106.24 2nw3 s THR 68 Ca -0.05 -0.21 -0.30 0.00 -1.21 0.00 0.00 61.69 59.92 2nw3 s THR 68 Cb -0.01 -0.84 -0.13 0.00 -1.51 0.00 0.00 72.50 70.02 2nw3 s THR 68 CO -0.03 -0.12 1.41 -0.62 -2.21 0.00 0.00 174.62 173.05 2nw3 n GLU 69 N 1.05 2.19 -3.66 7.08 1.02 -1.26 -0.51 120.64 126.55 2nw3 n GLU 69 Ca -0.20 0.78 -0.14 0.00 -0.02 0.00 0.00 57.16 57.58 2nw3 n GLU 69 Cb 0.57 -2.44 -0.07 0.00 -0.02 0.00 0.00 31.44 29.48 2nw3 n GLU 69 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 2nw3 s PHE 70 N -0.38 -0.32 -0.35 -0.32 -0.71 -0.91 -4.80 117.98 110.19 2nw3 s PHE 70 Ca 0.63 0.39 -0.00 0.00 -1.04 0.00 0.00 56.93 56.91 2nw3 s PHE 70 Cb -0.59 0.23 0.09 0.00 -1.21 0.00 0.00 43.02 41.54 2nw3 s PHE 70 CO 0.53 -0.54 0.09 0.99 -1.34 0.00 0.00 175.22 174.95 2nw3 s THR 71 N -2.03 2.85 0.59 -4.49 2.01 -1.26 -0.15 115.64 113.16 2nw3 s THR 71 Ca -0.08 -1.95 -0.19 0.00 0.31 0.00 0.00 61.69 59.79 2nw3 s THR 71 Cb -0.02 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 2nw3 s THR 71 CO 0.01 -0.47 1.21 -2.16 -0.69 0.00 0.00 174.62 172.52 2nw3 s PRO 72 N 1.10 2.97 0.35 4.92 0.04 -1.26 -4.78 135.00 138.34 2nw3 s PRO 72 Ca 0.04 1.84 0.07 0.00 0.04 0.00 0.00 61.00 63.00 2nw3 s PRO 72 Cb -0.21 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 2nw3 s PRO 72 CO -0.05 -1.21 0.27 0.95 0.04 0.00 0.00 177.00 177.00 2nw3 s THR 73 N -1.58 0.07 0.09 1.26 -4.23 -1.26 -0.32 115.64 109.67 2nw3 s THR 73 Ca 0.77 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 59.12 2nw3 s THR 73 Cb -0.31 -2.47 -0.07 0.00 1.34 0.00 0.00 72.50 71.00 2nw3 s THR 73 CO 0.33 0.00 1.49 -0.33 -0.54 0.00 0.00 174.62 175.57 2nw3 h GLU 74 N 2.05 0.58 0.09 3.99 5.08 -1.97 -3.38 114.58 121.02 2nw3 h GLU 74 Ca -0.26 -0.23 -0.35 0.00 -1.00 0.00 0.00 59.36 57.53 2nw3 h GLU 74 Cb 1.24 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 2nw3 h GLU 74 CO 0.38 0.78 -1.91 1.63 -1.00 0.00 0.00 179.01 178.89 2nw3 n LYS 75 N -4.47 0.71 -1.64 2.33 5.02 -1.26 -4.95 118.16 113.89 2nw3 n LYS 75 Ca -0.03 0.31 -0.47 0.00 -2.02 0.00 0.00 58.31 56.11 2nw3 n LYS 75 Cb 0.33 -1.70 -0.04 0.00 -0.02 0.00 0.00 35.03 33.60 2nw3 n LYS 75 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2nw3 n ASP 76 N -3.67 2.43 -4.58 4.39 8.00 -1.26 -4.98 116.55 116.88 2nw3 n ASP 76 Ca -0.34 1.12 -0.34 0.00 0.71 0.00 0.00 54.79 55.95 2nw3 n ASP 76 Cb 0.97 -1.36 -0.11 0.00 -0.02 0.00 0.00 41.12 40.61 2nw3 n ASP 76 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2nw3 s GLU 77 N 0.05 3.77 0.11 -1.24 2.12 -1.26 -4.75 118.70 117.50 2nw3 s GLU 77 Ca 0.74 -0.42 0.09 0.00 0.36 0.00 0.00 54.97 55.74 2nw3 s GLU 77 Cb -0.73 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 30.56 2nw3 s GLU 77 CO 0.47 0.30 -0.19 0.71 -0.54 0.00 0.00 175.26 176.00 2nw3 s TYR 78 N 0.26 2.51 0.19 5.30 2.02 -1.26 0.29 117.35 126.66 2nw3 s TYR 78 Ca 0.01 -0.28 -0.14 0.00 -0.37 0.00 0.00 57.07 56.29 2nw3 s TYR 78 Cb -0.13 -1.35 0.01 0.00 -0.40 0.00 0.00 41.96 40.09 2nw3 s TYR 78 CO 0.02 0.36 0.43 0.00 -1.57 0.00 0.00 175.55 174.79 2nw3 s ALA 79 N -1.11 -0.48 -0.11 3.71 0.00 -0.70 -0.04 121.76 123.03 2nw3 s ALA 79 Ca 0.17 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.58 2nw3 s ALA 79 Cb -0.10 0.89 0.01 0.00 0.00 0.00 0.00 23.12 23.91 2nw3 s ALA 79 CO 0.09 -0.76 -0.21 0.00 0.00 0.00 0.00 175.76 174.88 2nw3 s ARG 81 N 0.59 3.49 -0.09 0.00 3.52 0.76 -1.39 118.95 125.84 2nw3 s ARG 81 Ca -0.13 -0.58 0.03 0.00 -0.13 0.00 0.00 55.73 54.92 2nw3 s ARG 81 Cb -0.17 -3.04 0.00 0.00 -1.56 0.00 0.00 34.95 30.19 2nw3 s ARG 81 CO 0.04 -0.09 -0.21 0.08 -0.81 0.00 0.00 175.30 174.31 2nw3 s VAL 82 N 1.23 1.82 0.03 7.11 1.01 -0.28 -1.26 120.40 130.07 2nw3 s VAL 82 Ca 0.03 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.21 2nw3 s VAL 82 Cb -0.14 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 2nw3 s VAL 82 CO -0.00 0.51 -0.22 0.21 0.00 0.00 0.00 175.10 175.60 2nw3 s ASN 83 N 0.47 2.58 0.14 3.32 3.04 -0.30 -0.20 114.94 123.99 2nw3 s ASN 83 Ca -0.17 -0.51 -0.13 0.00 0.04 0.00 0.00 52.86 52.09 2nw3 s ASN 83 Cb -0.17 -0.23 0.02 0.00 -1.54 0.00 0.00 41.25 39.32 2nw3 s ASN 83 CO 0.07 0.19 0.34 -2.28 -3.04 0.00 0.00 177.10 172.38 2nw3 s HIS 84 N -0.75 0.03 0.55 0.43 5.65 -1.26 -1.40 115.29 118.54 2nw3 s HIS 84 Ca 0.08 -0.39 0.21 0.00 0.25 0.00 0.00 55.06 55.21 2nw3 s HIS 84 Cb -0.09 0.13 1.47 0.00 -1.18 0.00 0.00 32.58 32.91 2nw3 s HIS 84 CO 0.01 -0.70 2.18 -0.24 -0.65 0.00 0.00 174.74 175.35 2nw3 h VAL 85 N 2.48 0.82 0.00 0.89 3.04 -1.95 -1.40 116.25 120.13 2nw3 h VAL 85 Ca -0.33 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 2nw3 h VAL 85 Cb 1.24 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.51 2nw3 h VAL 85 CO 0.48 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.39 2nw3 n THR 86 N -4.29 0.65 -3.90 3.17 -2.24 -1.26 -4.77 114.28 101.64 2nw3 n THR 86 Ca -0.03 0.02 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 2nw3 n THR 86 Cb 0.10 -0.84 -0.09 0.00 -2.10 0.00 0.00 70.33 67.40 2nw3 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2nw3 s LEU 87 N -4.07 3.97 0.18 3.22 1.43 -0.53 -4.99 118.68 117.89 2nw3 s LEU 87 Ca 0.08 0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.20 2nw3 s LEU 87 Cb 0.12 -2.01 0.08 0.00 0.03 0.00 0.00 46.19 44.41 2nw3 s LEU 87 CO 0.46 0.18 1.80 0.28 0.23 0.00 0.00 176.35 179.30 2nw3 h SER 88 N 6.66 0.72 -4.92 2.29 0.02 -1.86 -3.44 113.55 113.02 2nw3 h SER 88 Ca -0.39 -0.08 -0.18 0.00 -0.84 0.00 0.00 61.79 60.31 2nw3 h SER 88 Cb 1.16 -0.18 -0.15 0.00 0.14 0.00 0.00 62.40 63.37 2nw3 h SER 88 CO 0.73 0.59 -0.69 -1.10 -1.14 0.00 0.00 176.83 175.21 2nw3 s GLN 89 N -5.91 0.71 0.56 3.45 -1.52 -1.26 -5.12 119.66 110.56 2nw3 s GLN 89 Ca -0.13 -1.24 -0.21 0.00 -1.95 0.00 0.00 55.36 51.83 2nw3 s GLN 89 Cb 0.13 -0.01 -0.04 0.00 -0.22 0.00 0.00 33.01 32.87 2nw3 s GLN 89 CO 0.77 -0.06 1.32 -2.30 -0.25 0.00 0.00 175.29 174.77 2nw3 n PRO 90 N 0.12 1.55 -3.77 2.91 -0.02 -1.26 -4.92 135.00 129.62 2nw3 n PRO 90 Ca -0.14 0.58 -0.36 0.00 -2.02 0.00 0.00 63.50 61.56 2nw3 n PRO 90 Cb 0.61 -2.53 -0.10 0.00 -0.02 0.00 0.00 33.50 31.45 2nw3 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2nw3 s LYS 91 N -2.93 3.94 -0.21 -0.52 2.20 0.72 -4.89 119.74 118.05 2nw3 s LYS 91 Ca 0.73 -0.34 -0.09 0.00 -0.36 0.00 0.00 55.97 55.92 2nw3 s LYS 91 Cb -0.41 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.44 2nw3 s LYS 91 CO 0.48 0.04 0.10 0.42 -0.36 0.00 0.00 175.35 176.03 2nw3 s ILE 92 N 1.07 5.00 -0.15 5.43 -1.09 -1.26 -1.12 121.20 129.08 2nw3 s ILE 92 Ca 0.06 0.05 0.01 0.00 -2.23 0.00 0.00 60.65 58.54 2nw3 s ILE 92 Cb -0.14 -3.29 0.02 0.00 -1.58 0.00 0.00 42.46 37.47 2nw3 s ILE 92 CO 0.04 0.41 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.30 2nw3 s VAL 93 N 0.71 1.78 0.37 2.92 1.01 -0.49 -4.99 120.40 121.72 2nw3 s VAL 93 Ca 0.05 -0.78 -0.24 0.00 0.00 0.00 0.00 61.98 61.02 2nw3 s VAL 93 Cb -0.13 -1.62 -0.10 0.00 0.00 0.00 0.00 36.38 34.53 2nw3 s VAL 93 CO 0.02 0.49 0.96 -0.54 0.00 0.00 0.00 175.10 176.03 2nw3 s LYS 94 N 1.25 4.39 0.11 2.72 1.02 -1.26 -0.57 119.74 127.39 2nw3 s LYS 94 Ca 0.01 1.27 -0.31 0.00 0.02 0.00 0.00 55.97 56.97 2nw3 s LYS 94 Cb -0.14 -2.53 -0.08 0.00 -0.52 0.00 0.00 37.83 34.57 2nw3 s LYS 94 CO -0.09 0.10 1.40 -0.46 -0.92 0.00 0.00 175.35 175.39 2nw3 s TRP 95 N -1.84 3.20 -0.17 3.18 -0.00 0.94 -4.84 118.94 119.43 2nw3 s TRP 95 Ca 0.56 0.92 -0.00 0.00 -0.00 0.00 0.00 56.10 57.58 2nw3 s TRP 95 Cb -0.15 -3.70 0.04 0.00 -0.00 0.00 0.00 33.47 29.66 2nw3 s TRP 95 CO 0.20 -2.45 -0.06 0.34 -0.00 0.00 0.00 176.95 174.98 2nw3 s ASP 96 N 1.17 2.87 0.00 5.86 -1.08 -1.26 -4.76 116.67 119.47 2nw3 s ASP 96 Ca 0.65 -0.68 0.08 0.00 -0.52 0.00 0.00 52.55 52.08 2nw3 s ASP 96 Cb -0.37 -0.94 0.39 0.00 -1.46 0.00 0.00 42.92 40.55 2nw3 s ASP 96 CO 0.30 -0.18 1.19 -2.11 0.52 0.00 0.00 175.17 174.89 2nw3 n ARG 97 N 4.86 0.07 -0.76 4.34 1.85 -1.26 -1.20 116.66 124.56 2nw3 n ARG 97 Ca -0.12 0.27 0.08 0.00 -1.00 0.00 0.00 57.85 57.08 2nw3 n ARG 97 Cb 0.48 -1.50 0.38 0.00 -1.05 0.00 0.00 32.46 30.76 2nw3 n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2nw3 n ASP 98 N -1.38 5.24 0.00 2.89 8.00 -1.26 -4.89 116.55 125.15 2nw3 n ASP 98 Ca 0.03 -2.73 0.00 0.00 0.71 0.00 0.00 54.79 52.80 2nw3 n ASP 98 Cb 0.08 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.55 2nw3 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04