#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nwa s PRO 4 N 0.00 0.27 0.08 1.61 0.04 -1.26 -5.28 135.00 130.46 2nwa s PRO 4 Ca 0.00 0.42 0.01 0.00 0.04 0.00 0.00 61.00 61.46 2nwa s PRO 4 Cb 0.00 0.08 -0.04 0.00 0.04 0.00 0.00 34.50 34.58 2nwa s PRO 4 CO 0.00 -0.05 -0.05 0.14 0.04 0.00 0.00 177.00 177.08 2nwa s VAL 5 N 0.91 0.49 -0.07 -0.36 -7.23 -1.26 -4.52 120.40 108.36 2nwa s VAL 5 Ca -0.05 -1.89 0.04 0.00 -1.81 0.00 0.00 61.98 58.28 2nwa s VAL 5 Cb -0.04 -1.64 -0.00 0.00 0.56 0.00 0.00 36.38 35.26 2nwa s VAL 5 CO -0.12 -0.90 -0.21 -0.70 -0.31 0.00 0.00 175.10 172.85 2nwa s GLU 6 N -3.88 2.39 -0.22 4.82 2.12 -0.49 -5.00 118.70 118.45 2nwa s GLU 6 Ca 0.11 -0.75 -0.13 0.00 0.36 0.00 0.00 54.97 54.55 2nwa s GLU 6 Cb 0.06 -1.94 -0.04 0.00 0.26 0.00 0.00 34.13 32.47 2nwa s GLU 6 CO -0.06 0.23 0.29 -0.06 -0.54 0.00 0.00 175.26 175.12 2nwa s PHE 7 N 0.16 3.35 -0.04 5.30 0.08 -1.26 0.34 117.98 125.90 2nwa s PHE 7 Ca -0.10 0.44 0.04 0.00 0.12 0.00 0.00 56.93 57.43 2nwa s PHE 7 Cb -0.15 -2.41 -0.02 0.00 -0.57 0.00 0.00 43.02 39.87 2nwa s PHE 7 CO 0.05 0.02 -0.16 -0.80 -0.10 0.00 0.00 175.22 174.23 2nwa s ASN 8 N 1.05 3.88 0.00 1.36 0.02 -0.52 -4.94 114.94 115.79 2nwa s ASN 8 Ca 0.14 -0.24 0.10 0.00 -1.02 0.00 0.00 52.86 51.84 2nwa s ASN 8 Cb -0.14 -0.77 -0.05 0.00 0.02 0.00 0.00 41.25 40.31 2nwa s ASN 8 CO 0.06 0.34 0.55 0.35 0.02 0.00 0.00 177.10 178.42 2nwa n THR 9 N 2.32 0.00 -4.05 1.60 -2.24 -1.26 -4.33 114.28 106.32 2nwa n THR 9 Ca -0.17 -0.33 -0.10 0.00 -2.27 0.00 0.00 64.05 61.17 2nwa n THR 9 Cb 0.52 1.07 -0.11 0.00 -2.10 0.00 0.00 70.33 69.71 2nwa n THR 9 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2nwa s LEU 10 N -2.03 2.32 -0.36 3.22 1.02 -1.26 -4.54 118.68 117.05 2nwa s LEU 10 Ca 0.06 -0.66 -0.17 0.00 0.02 0.00 0.00 54.13 53.39 2nwa s LEU 10 Cb 0.08 -0.00 -0.00 0.00 0.02 0.00 0.00 46.19 46.28 2nwa s LEU 10 CO 0.33 -0.33 0.43 -0.63 0.02 0.00 0.00 176.35 176.17 2nwa s ILE 11 N -2.07 5.10 -0.44 -0.59 -1.09 -0.24 -5.02 121.20 116.85 2nwa s ILE 11 Ca -0.07 0.10 -0.04 0.00 -2.23 0.00 0.00 60.65 58.41 2nwa s ILE 11 Cb -0.05 -3.91 0.12 0.00 -1.58 0.00 0.00 42.46 37.03 2nwa s ILE 11 CO -0.02 -0.19 0.26 -0.69 -1.23 0.00 0.00 174.94 173.06 2nwa s VAL 12 N 2.18 3.54 -0.46 2.92 1.01 -1.26 -0.48 120.40 127.86 2nwa s VAL 12 Ca 0.14 -2.06 -0.21 0.00 0.00 0.00 0.00 61.98 59.85 2nwa s VAL 12 Cb -0.16 -3.39 0.03 0.00 0.00 0.00 0.00 36.38 32.85 2nwa s VAL 12 CO 0.13 -0.73 0.69 0.42 0.00 0.00 0.00 175.10 175.61 2nwa s THR 13 N 1.11 4.76 0.00 3.92 -4.23 0.28 -4.91 115.64 116.57 2nwa s THR 13 Ca 0.08 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.73 2nwa s THR 13 Cb -0.23 -4.26 0.00 0.00 1.34 0.00 0.00 72.50 69.34 2nwa s THR 13 CO -0.03 -0.68 0.77 0.29 -0.54 0.00 0.00 174.62 174.42 2nwa n LYS 14 N 6.44 0.57 -1.03 3.99 4.76 -1.24 -4.17 118.16 127.48 2nwa n LYS 14 Ca -0.01 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.42 2nwa n LYS 14 Cb 0.48 -1.21 -0.00 0.00 -1.84 0.00 0.00 35.03 32.45 2nwa n LYS 14 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2nwa n GLY 15 N 1.05 0.46 1.37 0.72 0.00 -1.26 -4.88 105.19 102.64 2nwa n GLY 15 Ca 0.00 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 45.95 2nwa n GLY 15 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2nwa n LYS 16 N -2.13 3.46 -2.64 1.61 2.85 -1.26 -4.99 118.16 115.06 2nwa n LYS 16 Ca -0.01 -2.75 -0.32 0.00 -1.05 0.00 0.00 58.31 54.17 2nwa n LYS 16 Cb 0.14 -1.78 -0.05 0.00 -0.65 0.00 0.00 35.03 32.70 2nwa n LYS 16 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2nwa s GLU 17 N -1.76 4.03 -0.06 -1.58 1.03 -1.26 -4.73 118.70 114.37 2nwa s GLU 17 Ca 0.46 0.95 0.03 0.00 0.03 0.00 0.00 54.97 56.44 2nwa s GLU 17 Cb 0.30 -2.19 0.01 0.00 -0.80 0.00 0.00 34.13 31.44 2nwa s GLU 17 CO 0.23 -0.14 -0.14 0.08 -1.33 0.00 0.00 175.26 173.96 2nwa s VAL 18 N -2.40 1.28 -0.14 1.83 1.01 -0.48 -4.93 120.40 116.57 2nwa s VAL 18 Ca 0.59 -0.58 -0.20 0.00 0.00 0.00 0.00 61.98 61.79 2nwa s VAL 18 Cb -0.10 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 2nwa s VAL 18 CO 0.24 0.38 0.56 0.00 0.00 0.00 0.00 175.10 176.28 2nwa s ARG 19 N 0.47 4.31 -0.00 2.72 1.70 -1.26 0.70 118.95 127.59 2nwa s ARG 19 Ca -0.12 0.57 0.18 0.00 -0.47 0.00 0.00 55.73 55.89 2nwa s ARG 19 Cb -0.15 -3.49 -0.21 0.00 -0.57 0.00 0.00 34.95 30.54 2nwa s ARG 19 CO 0.04 0.01 0.74 0.44 -1.08 0.00 0.00 175.30 175.45 2nwa n ILE 20 N 4.03 0.00 -1.60 4.99 -5.35 -1.03 -4.97 119.36 115.42 2nwa n ILE 20 Ca -0.04 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 2nwa n ILE 20 Cb 0.51 0.92 0.00 0.00 -1.74 0.00 0.00 39.64 39.33 2nwa n ILE 20 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2nwa n ASP 21 N -1.49 0.07 -0.03 7.28 -0.08 -1.20 -5.04 116.55 116.06 2nwa n ASP 21 Ca 0.03 0.00 -0.18 0.00 -1.51 0.00 0.00 54.79 53.13 2nwa n ASP 21 Cb 0.30 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.63 2nwa n ASP 21 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2nwa h GLU 22 N 0.00 0.13 0.00 -0.67 4.11 -2.02 -3.41 114.58 112.71 2nwa h GLU 22 Ca 0.00 -0.22 0.00 0.00 0.07 0.00 0.00 59.36 59.21 2nwa h GLU 22 Cb 0.00 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2nwa h GLU 22 CO 0.00 1.11 0.00 0.09 0.07 0.00 0.00 179.01 180.28 2nwa n ASN 23 N -4.32 0.90 -4.69 3.06 5.03 -1.26 -5.01 115.26 108.97 2nwa n ASN 23 Ca -0.17 -0.97 -0.35 0.00 0.87 0.00 0.00 54.58 53.95 2nwa n ASN 23 Cb 0.69 0.05 -0.09 0.00 -1.02 0.00 0.00 39.78 39.40 2nwa n ASN 23 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 2nwa s ILE 24 N -0.05 4.70 0.45 2.41 -4.36 -1.26 -0.03 121.20 123.06 2nwa s ILE 24 Ca 0.00 -0.08 0.04 0.00 -0.26 0.00 0.00 60.65 60.34 2nwa s ILE 24 Cb 0.00 -3.05 -0.04 0.00 1.25 0.00 0.00 42.46 40.61 2nwa s ILE 24 CO 0.00 0.54 0.02 -0.36 0.24 0.00 0.00 174.94 175.39 2nwa s PHE 25 N -0.34 2.09 -0.02 1.37 0.08 0.36 -2.46 117.98 119.06 2nwa s PHE 25 Ca 0.08 -0.89 0.01 0.00 0.12 0.00 0.00 56.93 56.26 2nwa s PHE 25 Cb -0.12 -1.60 0.01 0.00 -0.57 0.00 0.00 43.02 40.74 2nwa s PHE 25 CO 0.02 0.23 -0.05 0.95 -0.10 0.00 0.00 175.22 176.27 2nwa s THR 26 N -2.89 0.45 -0.06 0.64 -4.23 0.22 -1.66 115.64 108.10 2nwa s THR 26 Ca 0.20 -0.18 0.02 0.00 -1.18 0.00 0.00 61.69 60.55 2nwa s THR 26 Cb 0.05 -0.42 0.01 0.00 1.34 0.00 0.00 72.50 73.49 2nwa s THR 26 CO 0.10 0.16 -0.11 -0.22 -0.54 0.00 0.00 174.62 174.01 2nwa s LEU 27 N 0.26 1.59 -0.21 4.79 0.20 0.15 -1.38 118.68 124.08 2nwa s LEU 27 Ca -0.03 -0.26 -0.08 0.00 0.69 0.00 0.00 54.13 54.45 2nwa s LEU 27 Cb -0.07 -0.74 -0.04 0.00 -0.43 0.00 0.00 46.19 44.91 2nwa s LEU 27 CO -0.00 0.02 0.09 -0.70 -0.29 0.00 0.00 176.35 175.47 2nwa s GLU 28 N 0.69 3.97 0.23 1.98 2.12 -1.26 -0.62 118.70 125.81 2nwa s GLU 28 Ca -0.14 -0.34 0.11 0.00 0.36 0.00 0.00 54.97 54.97 2nwa s GLU 28 Cb -0.15 -3.32 -0.05 0.00 0.26 0.00 0.00 34.13 30.87 2nwa s GLU 28 CO 0.03 0.16 -0.22 0.15 -0.54 0.00 0.00 175.26 174.84 2nwa s LYS 29 N 0.71 1.57 0.04 4.30 -0.14 0.14 -4.99 119.74 121.37 2nwa s LYS 29 Ca 0.05 -1.62 -0.22 0.00 -1.36 0.00 0.00 55.97 52.82 2nwa s LYS 29 Cb -0.13 -1.77 -0.06 0.00 -1.68 0.00 0.00 37.83 34.19 2nwa s LYS 29 CO 0.02 0.36 0.64 0.34 -0.76 0.00 0.00 175.35 175.95 2nwa s ASP 30 N -3.01 7.09 0.00 2.83 -1.08 -1.26 -1.19 116.67 120.05 2nwa s ASP 30 Ca 0.24 1.30 0.00 0.00 -0.52 0.00 0.00 52.55 53.57 2nwa s ASP 30 Cb -0.06 -2.40 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 2nwa s ASP 30 CO 0.12 0.14 0.00 0.61 0.52 0.00 0.00 175.17 176.56 2nwa n GLY 31 N 2.15 -0.74 3.55 2.66 0.00 0.11 -4.81 105.19 108.12 2nwa n GLY 31 Ca -0.07 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 2nwa n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nwa s TYR 32 N -2.82 2.71 0.10 1.61 2.02 -1.26 -3.08 117.35 116.63 2nwa s TYR 32 Ca 0.00 0.20 0.01 0.00 -0.37 0.00 0.00 57.07 56.91 2nwa s TYR 32 Cb 0.00 -4.27 -0.04 0.00 -0.40 0.00 0.00 41.96 37.25 2nwa s TYR 32 CO 0.00 -1.45 0.24 1.03 -1.57 0.00 0.00 175.55 173.80 2nwa s ARG 33 N 4.41 3.44 -0.20 -0.62 3.00 -1.26 -1.39 118.95 126.32 2nwa s ARG 33 Ca 0.36 -0.50 -0.02 0.00 0.00 0.00 0.00 55.73 55.57 2nwa s ARG 33 Cb -0.10 -3.01 -0.00 0.00 0.00 0.00 0.00 34.95 31.84 2nwa s ARG 33 CO 0.22 0.57 -0.09 0.08 0.00 0.00 0.00 175.30 176.08 2nwa s VAL 34 N -1.61 2.98 0.06 3.52 1.01 0.15 -4.87 120.40 121.65 2nwa s VAL 34 Ca 0.35 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 61.79 2nwa s VAL 34 Cb -0.12 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 2nwa s VAL 34 CO 0.28 0.46 -0.24 -0.31 0.00 0.00 0.00 175.10 175.29 2nwa s TYR 35 N 1.34 2.38 0.00 5.22 2.02 -1.26 -1.44 117.35 125.61 2nwa s TYR 35 Ca 0.04 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 2nwa s TYR 35 Cb -0.14 -1.38 0.00 0.00 -0.40 0.00 0.00 41.96 40.04 2nwa s TYR 35 CO -0.05 0.21 0.00 -2.30 -1.57 0.00 0.00 175.55 171.84 2nwa n PRO 36 N 1.50 0.02 0.00 -1.71 -0.02 -1.26 -5.06 135.00 128.48 2nwa n PRO 36 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2nwa n PRO 36 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 2nwa n PRO 36 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2nwa n GLU 38 N -0.67 0.00 -3.44 -0.52 4.07 -0.96 -4.46 120.64 114.65 2nwa n GLU 38 Ca 0.00 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.73 2nwa n GLU 38 Cb 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.32 2nwa n GLU 38 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2nwa s ILE 39 N 0.00 5.18 0.72 6.31 1.01 -1.26 -4.91 121.20 128.25 2nwa s ILE 39 Ca 0.00 0.79 -0.11 0.00 0.00 0.00 0.00 60.65 61.33 2nwa s ILE 39 Cb 0.00 -3.73 0.03 0.00 0.01 0.00 0.00 42.46 38.77 2nwa s ILE 39 CO 0.00 0.42 1.08 -2.16 0.00 0.00 0.00 174.94 174.28 2nwa s PRO 40 N 0.06 2.64 0.00 2.79 0.04 -1.26 -4.40 135.00 134.88 2nwa s PRO 40 Ca 0.22 1.08 -0.01 0.00 0.04 0.00 0.00 61.00 62.33 2nwa s PRO 40 Cb -0.15 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2nwa s PRO 40 CO 0.09 -1.34 0.13 -0.51 0.04 0.00 0.00 177.00 175.41 2nwa s ASP 42 N -3.51 6.01 -0.04 6.66 1.11 -1.26 -4.96 116.67 120.67 2nwa s ASP 42 Ca 0.60 0.23 0.03 0.00 0.18 0.00 0.00 52.55 53.59 2nwa s ASP 42 Cb -0.16 -1.80 0.00 0.00 1.07 0.00 0.00 42.92 42.03 2nwa s ASP 42 CO 0.54 0.26 -0.14 0.68 1.18 0.00 0.00 175.17 177.69 2nwa s VAL 43 N -1.28 1.16 0.06 -1.27 -7.23 0.02 -1.07 120.40 110.79 2nwa s VAL 43 Ca 0.26 -0.55 -0.05 0.00 -1.81 0.00 0.00 61.98 59.82 2nwa s VAL 43 Cb -0.12 -1.02 -0.02 0.00 0.56 0.00 0.00 36.38 35.78 2nwa s VAL 43 CO 0.17 0.35 0.09 0.00 -0.31 0.00 0.00 175.10 175.39 2nwa s ARG 44 N 0.22 0.66 0.13 4.82 1.70 0.37 -0.35 118.95 126.51 2nwa s ARG 44 Ca -0.06 -0.94 -0.11 0.00 -0.47 0.00 0.00 55.73 54.16 2nwa s ARG 44 Cb -0.11 0.26 -0.07 0.00 -0.57 0.00 0.00 34.95 34.46 2nwa s ARG 44 CO 0.02 -0.17 1.42 -0.22 -1.08 0.00 0.00 175.30 175.27 2nwa h LYS 45 N 3.27 0.85 -4.44 3.89 1.63 -1.77 0.82 116.57 120.81 2nwa h LYS 45 Ca -0.33 -0.54 -0.19 0.00 -0.85 0.00 0.00 60.65 58.74 2nwa h LYS 45 Cb 1.18 0.06 -0.15 0.00 -0.60 0.00 0.00 32.23 32.72 2nwa h LYS 45 CO 0.56 1.17 -0.66 0.95 -3.45 0.00 0.00 179.45 178.03 2nwa s THR 46 N -4.11 0.22 -1.57 1.00 -4.23 -1.26 -3.60 115.64 102.07 2nwa s THR 46 Ca -0.10 -1.90 0.01 0.00 -1.18 0.00 0.00 61.69 58.51 2nwa s THR 46 Cb 0.10 -1.94 0.01 0.00 1.34 0.00 0.00 72.50 72.01 2nwa s THR 46 CO 0.89 -0.58 0.74 0.29 -0.54 0.00 0.00 174.62 175.41 2nwa n LYS 47 N -0.07 0.01 0.00 3.99 4.76 -1.26 -4.69 118.16 120.90 2nwa n LYS 47 Ca -0.07 0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 2nwa n LYS 47 Cb 0.63 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.32 2nwa n LYS 47 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2nwa n PHE 48 N -1.21 0.00 -3.92 2.13 3.72 -1.26 -5.16 117.46 111.76 2nwa n PHE 48 Ca 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.32 2nwa n PHE 48 Cb 0.00 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.53 2nwa n PHE 48 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2nwa n GLU 50 N 0.00 1.46 -1.67 -1.08 0.28 -1.26 -4.89 120.64 113.47 2nwa n GLU 50 Ca 0.00 -1.02 -0.44 0.00 -0.16 0.00 0.00 57.16 55.54 2nwa n GLU 50 Cb 0.00 0.20 -0.04 0.00 1.43 0.00 0.00 31.44 33.03 2nwa n GLU 50 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2nwa n LYS 51 N -0.61 2.62 0.03 3.44 4.81 -1.26 -4.42 118.16 122.76 2nwa n LYS 51 Ca -0.03 0.96 0.11 0.00 -0.87 0.00 0.00 58.31 58.48 2nwa n LYS 51 Cb 0.18 -2.87 -0.09 0.00 0.02 0.00 0.00 35.03 32.27 2nwa n LYS 51 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2nwa n SER 52 N 6.99 0.39 0.00 3.14 2.88 0.53 -4.13 113.62 123.42 2nwa n SER 52 Ca 0.21 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 2nwa n SER 52 Cb 0.36 1.32 0.00 0.00 -0.75 0.00 0.00 64.21 65.14 2nwa n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2nwa n GLY 53 N 1.27 -1.47 3.32 0.46 0.00 -0.97 -2.24 105.19 105.57 2nwa n GLY 53 Ca -0.01 -1.21 -0.29 0.00 0.00 0.00 0.00 46.02 44.51 2nwa n GLY 53 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nwa s THR 54 N -2.94 2.01 0.24 2.61 2.01 0.09 -0.80 115.64 118.86 2nwa s THR 54 Ca 0.00 -1.35 -0.11 0.00 0.31 0.00 0.00 61.69 60.54 2nwa s THR 54 Cb 0.00 -1.73 -0.01 0.00 0.01 0.00 0.00 72.50 70.77 2nwa s THR 54 CO 0.00 0.31 0.42 0.00 -0.69 0.00 0.00 174.62 174.66 2nwa s ALA 55 N -0.81 0.00 -0.04 7.40 0.00 -1.26 -0.35 121.76 126.69 2nwa s ALA 55 Ca 0.11 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 2nwa s ALA 55 Cb -0.10 1.13 0.03 0.00 0.00 0.00 0.00 23.12 24.18 2nwa s ALA 55 CO 0.02 -0.81 0.06 -1.21 0.00 0.00 0.00 175.76 173.82 2nwa s GLU 56 N -4.04 -0.06 0.02 0.00 2.02 -0.68 -4.24 118.70 111.71 2nwa s GLU 56 Ca 0.25 0.35 -0.30 0.00 0.02 0.00 0.00 54.97 55.29 2nwa s GLU 56 Cb 0.01 -0.44 -0.07 0.00 0.10 0.00 0.00 34.13 33.73 2nwa s GLU 56 CO 0.10 -0.29 1.58 0.08 0.02 0.00 0.00 175.26 176.74 2nwa s VAL 57 N 1.94 3.37 -0.13 2.63 1.01 -1.26 -0.98 120.40 126.98 2nwa s VAL 57 Ca 0.02 0.71 0.10 0.00 0.00 0.00 0.00 61.98 62.81 2nwa s VAL 57 Cb -0.12 -3.46 -0.23 0.00 0.00 0.00 0.00 36.38 32.56 2nwa s VAL 57 CO -0.03 -0.02 0.34 0.00 0.00 0.00 0.00 175.10 175.39 2nwa n GLN 58 N 5.92 0.67 -3.81 2.72 1.13 0.89 -2.28 117.38 122.63 2nwa n GLN 58 Ca 0.15 0.18 -0.12 0.00 -1.94 0.00 0.00 57.00 55.27 2nwa n GLN 58 Cb 0.42 -1.67 -0.10 0.00 0.11 0.00 0.00 30.24 29.01 2nwa n GLN 58 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2nwa s LYS 59 N -2.55 0.51 -0.03 -1.09 2.20 -0.96 -4.95 119.74 112.87 2nwa s LYS 59 Ca -0.12 -0.15 -0.01 0.00 -0.36 0.00 0.00 55.97 55.33 2nwa s LYS 59 Cb 0.07 0.22 0.03 0.00 -1.51 0.00 0.00 37.83 36.64 2nwa s LYS 59 CO 0.79 -0.12 0.05 -1.17 -0.36 0.00 0.00 175.35 174.55 2nwa s LEU 60 N -1.01 1.07 0.07 5.43 0.20 -1.26 -1.08 118.68 122.09 2nwa s LEU 60 Ca -0.11 0.10 0.03 0.00 0.69 0.00 0.00 54.13 54.84 2nwa s LEU 60 Cb -0.05 0.04 -0.03 0.00 -0.43 0.00 0.00 46.19 45.72 2nwa s LEU 60 CO 0.02 -0.12 -0.10 0.00 -0.29 0.00 0.00 176.35 175.86 2nwa s GLN 61 N 1.00 0.70 -0.00 1.98 -2.07 -0.93 -5.02 119.66 115.32 2nwa s GLN 61 Ca -0.08 -0.95 0.07 0.00 -1.82 0.00 0.00 55.36 52.58 2nwa s GLN 61 Cb -0.11 -0.48 -0.03 0.00 -1.09 0.00 0.00 33.01 31.30 2nwa s GLN 61 CO -0.03 0.09 -0.21 -1.58 -1.32 0.00 0.00 175.29 172.23 2nwa s TRP 62 N -1.79 2.49 -0.30 9.60 0.51 -1.26 -1.85 118.94 126.34 2nwa s TRP 62 Ca -0.03 -0.31 -0.16 0.00 -2.12 0.00 0.00 56.10 53.48 2nwa s TRP 62 Cb -0.07 -1.51 0.17 0.00 -0.81 0.00 0.00 33.47 31.25 2nwa s TRP 62 CO 0.00 0.12 1.07 -2.00 -0.51 0.00 0.00 176.95 175.63 2nwa s GLU 63 N -0.93 0.25 -0.92 4.98 2.12 -0.51 -5.01 118.70 118.68 2nwa s GLU 63 Ca 0.12 0.49 -0.08 0.00 0.36 0.00 0.00 54.97 55.86 2nwa s GLU 63 Cb -0.10 0.15 -0.00 0.00 0.26 0.00 0.00 34.13 34.44 2nwa s GLU 63 CO 0.01 -0.06 0.69 0.39 -0.54 0.00 0.00 175.26 175.75 2nwa n GLU 64 N 3.98 -1.31 -0.52 4.30 1.02 -1.26 -1.79 120.64 125.06 2nwa n GLU 64 Ca -0.15 0.83 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 2nwa n GLU 64 Cb 0.56 -3.77 0.00 0.00 -0.02 0.00 0.00 31.44 28.21 2nwa n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2nwa n GLY 65 N -1.72 0.00 3.42 0.62 0.00 -1.26 -4.89 105.19 101.36 2nwa n GLY 65 Ca -0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 2nwa n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nwa s ARG 66 N -1.03 1.54 -0.03 1.61 0.52 -0.74 0.09 118.95 120.91 2nwa s ARG 66 Ca 0.00 -1.73 0.02 0.00 -0.52 0.00 0.00 55.73 53.51 2nwa s ARG 66 Cb 0.00 -1.38 0.00 0.00 0.52 0.00 0.00 34.95 34.09 2nwa s ARG 66 CO 0.00 0.19 -0.09 -0.08 0.02 0.00 0.00 175.30 175.33 2nwa s THR 67 N -2.81 0.80 -0.10 0.02 -1.32 -0.33 -1.42 115.64 110.48 2nwa s THR 67 Ca 0.27 -0.37 0.01 0.00 -1.21 0.00 0.00 61.69 60.40 2nwa s THR 67 Cb -0.01 -0.72 0.02 0.00 -1.51 0.00 0.00 72.50 70.29 2nwa s THR 67 CO 0.11 0.25 -0.12 -0.51 -2.21 0.00 0.00 174.62 172.15 2nwa s ILE 68 N 0.21 1.25 0.14 5.08 2.07 -0.77 0.24 121.20 129.41 2nwa s ILE 68 Ca -0.04 -0.48 0.07 0.00 -1.41 0.00 0.00 60.65 58.79 2nwa s ILE 68 Cb -0.09 -1.18 -0.04 0.00 0.13 0.00 0.00 42.46 41.28 2nwa s ILE 68 CO 0.01 0.39 -0.03 0.27 -1.91 0.00 0.00 174.94 173.67 2nwa s ILE 69 N 1.16 3.71 -0.22 2.00 -4.36 0.21 -2.18 121.20 121.51 2nwa s ILE 69 Ca -0.04 -1.28 0.01 0.00 -0.26 0.00 0.00 60.65 59.08 2nwa s ILE 69 Cb -0.14 -2.81 0.05 0.00 1.25 0.00 0.00 42.46 40.81 2nwa s ILE 69 CO -0.03 -0.00 -0.09 -0.89 0.24 0.00 0.00 174.94 174.17 2nwa s THR 70 N -1.50 1.74 0.22 8.37 2.01 -0.24 -0.67 115.64 125.57 2nwa s THR 70 Ca 0.26 -1.21 0.12 0.00 0.31 0.00 0.00 61.69 61.16 2nwa s THR 70 Cb -0.10 -1.87 -0.05 0.00 0.01 0.00 0.00 72.50 70.49 2nwa s THR 70 CO 0.17 0.06 -0.23 -0.72 -0.69 0.00 0.00 174.62 173.21 2nwa s TYR 71 N 1.33 2.30 -0.29 4.92 -0.85 -0.67 -0.08 117.35 124.01 2nwa s TYR 71 Ca -0.04 -0.35 -0.09 0.00 -0.52 0.00 0.00 57.07 56.07 2nwa s TYR 71 Cb -0.18 -1.09 -0.01 0.00 0.38 0.00 0.00 41.96 41.06 2nwa s TYR 71 CO -0.07 0.58 0.13 0.21 -1.52 0.00 0.00 175.55 174.88 2nwa s LYS 72 N -2.97 3.42 -0.24 -3.49 2.20 -0.16 -0.49 119.74 118.02 2nwa s LYS 72 Ca 0.24 -0.66 -0.29 0.00 -0.36 0.00 0.00 55.97 54.90 2nwa s LYS 72 Cb -0.07 -3.50 -0.01 0.00 -1.51 0.00 0.00 37.83 32.74 2nwa s LYS 72 CO 0.12 -0.36 1.38 -1.17 -0.36 0.00 0.00 175.35 174.96 2nwa s LEU 73 N 1.61 3.97 0.01 5.43 2.96 0.95 -1.69 118.68 131.92 2nwa s LEU 73 Ca 0.05 1.44 0.23 0.00 -0.22 0.00 0.00 54.13 55.63 2nwa s LEU 73 Cb -0.17 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.03 2nwa s LEU 73 CO 0.06 -1.04 1.07 0.35 -1.32 0.00 0.00 176.35 175.46 2nwa n THR 74 N 6.04 0.03 -3.61 3.68 -2.24 0.52 -4.91 114.28 113.79 2nwa n THR 74 Ca 0.16 -0.07 -0.04 0.00 -2.27 0.00 0.00 64.05 61.83 2nwa n THR 74 Cb 0.46 0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 69.23 2nwa n THR 74 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2nwa s SER 75 N -3.24 -0.13 -0.04 3.42 1.04 -1.08 -4.95 113.70 108.72 2nwa s SER 75 Ca 0.08 0.09 0.01 0.00 0.48 0.00 0.00 55.95 56.61 2nwa s SER 75 Cb 0.16 0.12 -0.03 0.00 0.10 0.00 0.00 66.02 66.37 2nwa s SER 75 CO 0.81 -0.16 -0.04 -0.76 0.98 0.00 0.00 173.24 174.07 2nwa s LEU 76 N -1.46 3.32 0.00 2.42 1.02 -1.26 -0.73 118.68 122.00 2nwa s LEU 76 Ca 0.07 -0.01 0.00 0.00 0.02 0.00 0.00 54.13 54.21 2nwa s LEU 76 Cb -0.01 -1.81 0.00 0.00 0.02 0.00 0.00 46.19 44.39 2nwa s LEU 76 CO -0.05 0.33 0.00 1.57 0.02 0.00 0.00 176.35 178.22 2nwa n HIS 77 N 1.90 0.00 -1.99 0.29 -0.00 -0.95 -4.71 115.22 109.76 2nwa n HIS 77 Ca -0.17 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.59 2nwa n HIS 77 Cb 0.53 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 30.40 2nwa n HIS 77 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2nwa n SER 78 N 0.00 5.06 -4.55 0.26 7.64 -1.26 -4.93 113.62 115.84 2nwa n SER 78 Ca 0.00 -2.96 -0.38 0.00 1.01 0.00 0.00 58.87 56.54 2nwa n SER 78 Cb 0.00 -1.55 -0.03 0.00 -1.01 0.00 0.00 64.21 61.62 2nwa n SER 78 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2nwa s VAL 79 N 1.55 3.59 0.52 0.44 0.11 -1.26 -4.96 120.40 120.40 2nwa s VAL 79 Ca 0.46 -0.02 -0.21 0.00 -2.93 0.00 0.00 61.98 59.27 2nwa s VAL 79 Cb 0.13 -4.48 -0.07 0.00 -1.53 0.00 0.00 36.38 30.43 2nwa s VAL 79 CO -0.05 -1.41 1.08 -3.20 -3.33 0.00 0.00 175.10 168.19 2nwa n ASN 80 N 11.18 1.46 0.00 3.54 5.15 -1.26 -5.22 115.26 130.11 2nwa n ASN 80 Ca 0.21 0.93 0.00 0.00 -0.60 0.00 0.00 54.58 55.12 2nwa n ASN 80 Cb 0.50 -1.43 0.00 0.00 -0.53 0.00 0.00 39.78 38.32 2nwa n ASN 80 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55