#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 0.11 0.04 1.61 0.04 -1.26 -5.28 135.00 130.26 2nwa s PRO 4 Ca 0.00 0.15 -0.00 0.00 0.04 0.00 0.00 61.00 61.19 2nwa s PRO 4 Cb 0.00 0.04 -0.03 0.00 0.04 0.00 0.00 34.50 34.54 2nwa s PRO 4 CO 0.00 -0.02 -0.03 0.14 0.04 0.00 0.00 177.00 177.13 2nwa s VAL 5 N 0.61 0.22 -0.09 -0.36 -7.23 -1.26 -4.53 120.40 107.76 2nwa s VAL 5 Ca -0.01 -1.47 0.03 0.00 -1.81 0.00 0.00 61.98 58.72 2nwa s VAL 5 Cb -0.04 -1.05 -0.01 0.00 0.56 0.00 0.00 36.38 35.84 2nwa s VAL 5 CO -0.12 -0.79 -0.20 -0.70 -0.31 0.00 0.00 175.10 172.98 2nwa s GLU 6 N -2.97 2.93 -0.26 4.82 2.12 -0.15 -4.99 118.70 120.20 2nwa s GLU 6 Ca -0.01 -0.80 -0.13 0.00 0.36 0.00 0.00 54.97 54.38 2nwa s GLU 6 Cb 0.01 -2.37 -0.04 0.00 0.26 0.00 0.00 34.13 31.98 2nwa s GLU 6 CO -0.06 0.32 0.28 -0.06 -0.54 0.00 0.00 175.26 175.20 2nwa s PHE 7 N 0.04 3.26 -0.07 5.30 0.08 -1.26 0.47 117.98 125.80 2nwa s PHE 7 Ca -0.07 0.31 0.02 0.00 0.12 0.00 0.00 56.93 57.30 2nwa s PHE 7 Cb -0.15 -2.46 -0.03 0.00 -0.57 0.00 0.00 43.02 39.81 2nwa s PHE 7 CO 0.05 -0.14 -0.10 -0.80 -0.10 0.00 0.00 175.22 174.13 2nwa s ASN 8 N 1.52 4.34 0.00 1.36 0.02 -0.44 -4.94 114.94 116.80 2nwa s ASN 8 Ca 0.12 -0.13 0.13 0.00 -1.02 0.00 0.00 52.86 51.96 2nwa s ASN 8 Cb -0.15 -1.11 -0.12 0.00 0.02 0.00 0.00 41.25 39.88 2nwa s ASN 8 CO 0.09 0.33 0.58 0.35 0.02 0.00 0.00 177.10 178.47 2nwa n THR 9 N 2.46 0.00 -4.03 1.60 -2.24 -1.26 -4.32 114.28 106.48 2nwa n THR 9 Ca -0.18 -0.21 -0.12 0.00 -2.27 0.00 0.00 64.05 61.27 2nwa n THR 9 Cb 0.53 1.02 -0.12 0.00 -2.10 0.00 0.00 70.33 69.66 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 -2.52 2.23 -0.38 3.22 1.02 -1.26 -4.54 118.68 116.44 2nwa s LEU 10 Ca 0.06 -0.49 -0.19 0.00 0.02 0.00 0.00 54.13 53.54 2nwa s LEU 10 Cb 0.10 -0.08 0.01 0.00 0.02 0.00 0.00 46.19 46.24 2nwa s LEU 10 CO 0.51 -0.21 0.53 -0.63 0.02 0.00 0.00 176.35 176.57 2nwa s ILE 11 N -1.28 4.98 -0.41 -0.59 -1.09 -0.21 -5.02 121.20 117.59 2nwa s ILE 11 Ca -0.11 0.19 -0.06 0.00 -2.23 0.00 0.00 60.65 58.44 2nwa s ILE 11 Cb -0.09 -4.03 0.09 0.00 -1.58 0.00 0.00 42.46 36.85 2nwa s ILE 11 CO -0.00 -0.33 0.22 -0.69 -1.23 0.00 0.00 174.94 172.90 2nwa s VAL 12 N 2.45 3.73 -0.42 2.92 1.01 -1.26 -0.41 120.40 128.42 2nwa s VAL 12 Ca 0.19 -1.70 -0.20 0.00 0.00 0.00 0.00 61.98 60.27 2nwa s VAL 12 Cb -0.15 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 32.86 2nwa s VAL 12 CO 0.15 -0.57 0.58 0.42 0.00 0.00 0.00 175.10 175.68 2nwa s THR 13 N 1.29 4.91 0.00 3.92 -4.23 0.40 -4.92 115.64 117.01 2nwa s THR 13 Ca 0.04 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.61 2nwa s THR 13 Cb -0.23 -4.13 0.00 0.00 1.34 0.00 0.00 72.50 69.48 2nwa s THR 13 CO -0.01 -0.49 1.05 0.29 -0.54 0.00 0.00 174.62 174.91 2nwa n LYS 14 N 6.03 0.68 -1.05 3.99 4.76 -1.24 -4.14 118.16 127.20 2nwa n LYS 14 Ca -0.03 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.39 2nwa n LYS 14 Cb 0.48 -1.16 -0.01 0.00 -1.84 0.00 0.00 35.03 32.50 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 1.20 0.46 1.38 0.72 0.00 -1.26 -4.87 105.19 102.81 2nwa n GLY 15 Ca 0.00 -0.15 0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.84 3.52 -2.51 1.61 2.85 -1.26 -4.99 118.16 115.53 2nwa n LYS 16 Ca -0.02 -2.78 -0.32 0.00 -1.05 0.00 0.00 58.31 54.15 2nwa n LYS 16 Cb 0.19 -1.80 -0.04 0.00 -0.65 0.00 0.00 35.03 32.73 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 -1.83 3.98 -0.06 -1.58 1.03 -1.26 -4.72 118.70 114.26 2nwa s GLU 17 Ca 0.47 0.93 0.02 0.00 0.03 0.00 0.00 54.97 56.42 2nwa s GLU 17 Cb 0.30 -2.17 0.01 0.00 -0.80 0.00 0.00 34.13 31.48 2nwa s GLU 17 CO 0.22 -0.21 -0.13 0.08 -1.33 0.00 0.00 175.26 173.90 2nwa s VAL 18 N -2.52 1.18 -0.09 1.83 1.01 -0.15 -4.94 120.40 116.71 2nwa s VAL 18 Ca 0.59 -0.51 -0.21 0.00 0.00 0.00 0.00 61.98 61.85 2nwa s VAL 18 Cb -0.10 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2nwa s VAL 18 CO 0.28 0.36 0.59 0.00 0.00 0.00 0.00 175.10 176.34 2nwa s ARG 19 N 0.61 4.39 -0.00 2.72 1.70 -1.26 0.30 118.95 127.40 2nwa s ARG 19 Ca -0.14 0.67 0.16 0.00 -0.47 0.00 0.00 55.73 55.96 2nwa s ARG 19 Cb -0.15 -3.44 -0.19 0.00 -0.57 0.00 0.00 34.95 30.60 2nwa s ARG 19 CO 0.04 0.12 0.66 0.44 -1.08 0.00 0.00 175.30 175.47 2nwa n ILE 20 N 3.70 0.00 -1.59 4.99 -5.35 -0.96 -4.97 119.36 115.17 2nwa n ILE 20 Ca -0.04 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 2nwa n ILE 20 Cb 0.51 0.89 0.00 0.00 -1.74 0.00 0.00 39.64 39.31 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 -1.47 0.06 -0.06 7.28 -0.08 -1.20 -5.04 116.55 116.04 2nwa n ASP 21 Ca 0.02 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.13 2nwa n ASP 21 Cb 0.28 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.61 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 0.05 -0.00 -0.67 4.11 -2.02 -3.41 114.58 112.63 2nwa h GLU 22 Ca 0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.35 2nwa h GLU 22 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2nwa h GLU 22 CO 0.00 1.04 -0.01 0.09 0.07 0.00 0.00 179.01 180.19 2nwa n ASN 23 N -4.47 0.98 -4.65 3.06 5.03 -1.26 -5.00 115.26 108.94 2nwa n ASN 23 Ca -0.17 -0.99 -0.35 0.00 0.87 0.00 0.00 54.58 53.95 2nwa n ASN 23 Cb 0.59 0.17 -0.09 0.00 -1.02 0.00 0.00 39.78 39.42 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 -0.33 4.78 0.46 2.41 -4.36 -1.26 0.11 121.20 123.01 2nwa s ILE 24 Ca 0.02 -0.04 0.04 0.00 -0.26 0.00 0.00 60.65 60.41 2nwa s ILE 24 Cb 0.02 -3.14 -0.04 0.00 1.25 0.00 0.00 42.46 40.55 2nwa s ILE 24 CO 0.03 0.48 0.05 -0.36 0.24 0.00 0.00 174.94 175.38 2nwa s PHE 25 N 0.19 2.18 -0.02 1.37 0.08 0.20 -2.28 117.98 119.71 2nwa s PHE 25 Ca 0.04 -0.80 0.02 0.00 0.12 0.00 0.00 56.93 56.31 2nwa s PHE 25 Cb -0.12 -1.73 0.00 0.00 -0.57 0.00 0.00 43.02 40.60 2nwa s PHE 25 CO 0.00 0.27 -0.07 0.95 -0.10 0.00 0.00 175.22 176.27 2nwa s THR 26 N -2.78 0.60 -0.04 0.64 -4.23 0.15 -1.05 115.64 108.93 2nwa s THR 26 Ca 0.22 -0.28 0.02 0.00 -1.18 0.00 0.00 61.69 60.48 2nwa s THR 26 Cb 0.05 -0.54 0.01 0.00 1.34 0.00 0.00 72.50 73.36 2nwa s THR 26 CO 0.12 0.19 -0.10 -0.22 -0.54 0.00 0.00 174.62 174.07 2nwa s LEU 27 N 0.13 1.70 -0.21 4.79 0.20 0.74 -0.98 118.68 125.05 2nwa s LEU 27 Ca -0.02 -0.22 -0.05 0.00 0.69 0.00 0.00 54.13 54.53 2nwa s LEU 27 Cb -0.06 -0.64 -0.03 0.00 -0.43 0.00 0.00 46.19 45.03 2nwa s LEU 27 CO -0.00 0.05 0.01 -0.70 -0.29 0.00 0.00 176.35 175.42 2nwa s GLU 28 N 0.39 3.63 0.20 1.98 2.12 -1.26 -0.38 118.70 125.38 2nwa s GLU 28 Ca -0.07 -0.51 0.10 0.00 0.36 0.00 0.00 54.97 54.85 2nwa s GLU 28 Cb -0.11 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.12 2nwa s GLU 28 CO 0.01 -0.00 -0.14 0.15 -0.54 0.00 0.00 175.26 174.74 2nwa s LYS 29 N 1.05 1.90 0.08 4.30 -0.14 0.12 -5.00 119.74 122.06 2nwa s LYS 29 Ca 0.02 -1.39 -0.24 0.00 -1.36 0.00 0.00 55.97 53.00 2nwa s LYS 29 Cb -0.14 -2.04 -0.06 0.00 -1.68 0.00 0.00 37.83 33.90 2nwa s LYS 29 CO 0.02 0.41 0.74 0.34 -0.76 0.00 0.00 175.35 176.09 2nwa s ASP 30 N -2.90 7.23 0.00 2.83 -1.08 -1.26 -1.51 116.67 119.98 2nwa s ASP 30 Ca 0.25 1.47 0.00 0.00 -0.52 0.00 0.00 52.55 53.74 2nwa s ASP 30 Cb -0.08 -2.46 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 2nwa s ASP 30 CO 0.14 0.11 0.00 0.61 0.52 0.00 0.00 175.17 176.55 2nwa n GLY 31 N 2.08 -1.29 3.56 2.66 0.00 0.51 -4.80 105.19 107.92 2nwa n GLY 31 Ca -0.05 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.87 2.42 0.12 1.61 2.02 -1.25 -2.96 117.35 116.43 2nwa s TYR 32 Ca 0.00 0.17 -0.02 0.00 -0.37 0.00 0.00 57.07 56.85 2nwa s TYR 32 Cb 0.00 -4.58 -0.05 0.00 -0.40 0.00 0.00 41.96 36.94 2nwa s TYR 32 CO 0.00 -1.86 0.31 1.03 -1.57 0.00 0.00 175.55 173.45 2nwa s ARG 33 N 5.40 3.52 -0.19 -0.62 3.00 -1.26 -0.98 118.95 127.82 2nwa s ARG 33 Ca 0.39 -0.31 -0.01 0.00 0.00 0.00 0.00 55.73 55.80 2nwa s ARG 33 Cb -0.08 -2.93 0.00 0.00 0.00 0.00 0.00 34.95 31.94 2nwa s ARG 33 CO 0.20 0.52 -0.12 0.08 0.00 0.00 0.00 175.30 175.97 2nwa s VAL 34 N -1.64 2.78 0.00 3.52 1.01 0.18 -4.87 120.40 121.38 2nwa s VAL 34 Ca 0.38 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.73 2nwa s VAL 34 Cb -0.12 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 2nwa s VAL 34 CO 0.27 0.49 -0.25 -0.31 0.00 0.00 0.00 175.10 175.30 2nwa s TYR 35 N 1.23 2.18 0.00 5.22 2.02 -1.26 -1.33 117.35 125.40 2nwa s TYR 35 Ca 0.03 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.32 2nwa s TYR 35 Cb -0.14 -1.37 0.00 0.00 -0.40 0.00 0.00 41.96 40.05 2nwa s TYR 35 CO -0.05 0.02 0.00 -2.30 -1.57 0.00 0.00 175.55 171.64 2nwa n PRO 36 N 2.23 0.30 0.00 -1.71 -0.02 -1.26 -5.06 135.00 129.48 2nwa n PRO 36 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 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 -0.66 0.00 -3.74 -0.52 4.07 -1.02 -4.53 120.64 114.25 2nwa n GLU 38 Ca 0.00 0.00 -0.36 0.00 -0.06 0.00 0.00 57.16 56.74 2nwa n GLU 38 Cb 0.00 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.30 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 5.41 0.80 6.31 1.01 -1.26 -4.95 121.20 128.51 2nwa s ILE 39 Ca 0.00 0.24 -0.10 0.00 0.00 0.00 0.00 60.65 60.78 2nwa s ILE 39 Cb 0.00 -3.48 0.07 0.00 0.01 0.00 0.00 42.46 39.06 2nwa s ILE 39 CO 0.00 0.47 1.10 -2.16 0.00 0.00 0.00 174.94 174.35 2nwa s PRO 40 N 0.09 2.06 -0.06 2.79 0.04 -1.26 -4.46 135.00 134.20 2nwa s PRO 40 Ca 0.10 1.21 -0.04 0.00 0.04 0.00 0.00 61.00 62.32 2nwa s PRO 40 Cb -0.11 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2nwa s PRO 40 CO -0.00 -1.80 0.12 -0.51 0.04 0.00 0.00 177.00 174.85 2nwa s ASP 42 N -3.30 6.06 -0.03 6.66 1.11 -1.26 -4.97 116.67 120.94 2nwa s ASP 42 Ca 0.62 0.32 0.05 0.00 0.18 0.00 0.00 52.55 53.73 2nwa s ASP 42 Cb -0.18 -1.87 -0.01 0.00 1.07 0.00 0.00 42.92 41.93 2nwa s ASP 42 CO 0.56 0.34 -0.20 0.68 1.18 0.00 0.00 175.17 177.74 2nwa s VAL 43 N -1.11 1.59 0.06 -1.27 -7.23 0.50 -1.04 120.40 111.90 2nwa s VAL 43 Ca 0.19 -0.83 -0.09 0.00 -1.81 0.00 0.00 61.98 59.45 2nwa s VAL 43 Cb -0.12 -1.34 -0.00 0.00 0.56 0.00 0.00 36.38 35.48 2nwa s VAL 43 CO 0.09 0.45 0.19 0.00 -0.31 0.00 0.00 175.10 175.52 2nwa s ARG 44 N -0.22 0.77 0.20 4.82 1.70 0.45 -0.43 118.95 126.23 2nwa s ARG 44 Ca 0.02 -0.81 -0.02 0.00 -0.47 0.00 0.00 55.73 54.44 2nwa s ARG 44 Cb -0.10 0.31 0.15 0.00 -0.57 0.00 0.00 34.95 34.74 2nwa s ARG 44 CO 0.01 -0.23 1.54 -0.22 -1.08 0.00 0.00 175.30 175.32 2nwa h LYS 45 N 3.10 0.56 -3.81 3.89 1.63 -1.76 0.12 116.57 120.30 2nwa h LYS 45 Ca -0.33 -0.33 -0.09 0.00 -0.85 0.00 0.00 60.65 59.05 2nwa h LYS 45 Cb 1.19 0.03 -0.11 0.00 -0.60 0.00 0.00 32.23 32.74 2nwa h LYS 45 CO 0.53 0.93 -0.22 -0.08 -3.45 0.00 0.00 179.45 177.16 2nwa s THR 46 N -4.10 0.01 0.00 1.00 -1.32 -1.26 -3.68 115.64 106.30 2nwa s THR 46 Ca -0.07 -1.45 0.00 0.00 -1.21 0.00 0.00 61.69 58.95 2nwa s THR 46 Cb 0.12 -2.15 0.00 0.00 -1.51 0.00 0.00 72.50 68.96 2nwa s THR 46 CO 0.83 -0.06 0.98 0.29 -2.21 0.00 0.00 174.62 174.45 2nwa n LYS 47 N -0.33 0.74 0.00 7.08 5.02 -1.26 -4.95 118.16 124.46 2nwa n LYS 47 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 2nwa n LYS 47 Cb 0.63 -1.13 0.00 0.00 -0.02 0.00 0.00 35.03 34.51 2nwa n LYS 47 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2nwa n PHE 48 N 0.94 0.00 0.00 2.13 3.01 -1.26 -5.19 117.46 117.09 2nwa n PHE 48 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2nwa n PHE 48 Cb 0.37 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.84 2nwa n PHE 48 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2nwa n GLU 50 N -0.29 0.00 -2.13 -1.08 4.71 -1.26 -4.95 120.64 115.64 2nwa n GLU 50 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.73 2nwa n GLU 50 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.40 2nwa n GLU 50 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 2nwa s LYS 51 N 0.87 4.23 0.03 3.49 2.20 -1.26 -4.35 119.74 124.94 2nwa s LYS 51 Ca 0.00 2.07 0.21 0.00 -0.36 0.00 0.00 55.97 57.89 2nwa s LYS 51 Cb 0.00 -3.72 -0.23 0.00 -1.51 0.00 0.00 37.83 32.37 2nwa s LYS 51 CO 0.00 -0.70 0.62 0.45 -0.36 0.00 0.00 175.35 175.37 2nwa n SER 52 N 6.06 0.29 0.00 1.43 2.88 0.43 -4.05 113.62 120.66 2nwa n SER 52 Ca 0.15 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 2nwa n SER 52 Cb 0.43 1.38 0.00 0.00 -0.75 0.00 0.00 64.21 65.27 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 1.28 -1.32 3.27 0.46 0.00 -0.64 -2.09 105.19 106.15 2nwa n GLY 53 Ca -0.05 -1.12 -0.25 0.00 0.00 0.00 0.00 46.02 44.59 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 -3.00 1.70 0.26 2.61 2.01 -0.38 -0.37 115.64 118.48 2nwa s THR 54 Ca 0.00 -1.32 -0.13 0.00 0.31 0.00 0.00 61.69 60.55 2nwa s THR 54 Cb 0.00 -1.50 0.00 0.00 0.01 0.00 0.00 72.50 71.01 2nwa s THR 54 CO 0.00 0.13 0.51 0.00 -0.69 0.00 0.00 174.62 174.57 2nwa s ALA 55 N -0.91 -0.28 -0.05 7.40 0.00 -1.26 -0.79 121.76 125.87 2nwa s ALA 55 Ca 0.07 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 2nwa s ALA 55 Cb -0.09 1.04 0.03 0.00 0.00 0.00 0.00 23.12 24.10 2nwa s ALA 55 CO 0.03 -0.87 0.08 -1.21 0.00 0.00 0.00 175.76 173.78 2nwa s GLU 56 N -3.89 -0.05 0.12 0.00 2.02 -0.55 -4.34 118.70 112.01 2nwa s GLU 56 Ca 0.22 0.40 -0.31 0.00 0.02 0.00 0.00 54.97 55.29 2nwa s GLU 56 Cb -0.01 -0.43 -0.09 0.00 0.10 0.00 0.00 34.13 33.70 2nwa s GLU 56 CO 0.10 -0.30 1.51 0.08 0.02 0.00 0.00 175.26 176.67 2nwa s VAL 57 N 2.06 3.02 -0.17 2.63 1.01 -1.26 -1.02 120.40 126.67 2nwa s VAL 57 Ca 0.03 0.67 0.18 0.00 0.00 0.00 0.00 61.98 62.85 2nwa s VAL 57 Cb -0.12 -3.43 -0.25 0.00 0.00 0.00 0.00 36.38 32.58 2nwa s VAL 57 CO -0.04 0.04 0.12 0.00 0.00 0.00 0.00 175.10 175.22 2nwa n GLN 58 N 4.41 0.83 -3.74 2.72 1.13 0.10 -2.44 117.38 120.40 2nwa n GLN 58 Ca 0.13 -0.03 -0.13 0.00 -1.94 0.00 0.00 57.00 55.02 2nwa n GLN 58 Cb 0.41 -1.49 -0.09 0.00 0.11 0.00 0.00 30.24 29.17 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 -2.60 0.63 -0.02 -1.09 2.20 -0.97 -4.96 119.74 112.94 2nwa s LYS 59 Ca -0.09 0.01 -0.00 0.00 -0.36 0.00 0.00 55.97 55.52 2nwa s LYS 59 Cb 0.07 0.29 0.02 0.00 -1.51 0.00 0.00 37.83 36.69 2nwa s LYS 59 CO 0.80 -0.16 0.03 -1.17 -0.36 0.00 0.00 175.35 174.48 2nwa s LEU 60 N -0.94 1.38 0.05 5.43 0.20 -1.26 -1.23 118.68 122.31 2nwa s LEU 60 Ca -0.10 0.04 0.01 0.00 0.69 0.00 0.00 54.13 54.77 2nwa s LEU 60 Cb -0.04 -0.02 -0.03 0.00 -0.43 0.00 0.00 46.19 45.66 2nwa s LEU 60 CO 0.04 -0.09 -0.06 0.00 -0.29 0.00 0.00 176.35 175.95 2nwa s GLN 61 N 0.70 0.56 -0.04 1.98 -2.07 -0.95 -5.02 119.66 114.83 2nwa s GLN 61 Ca -0.06 -0.90 0.06 0.00 -1.82 0.00 0.00 55.36 52.64 2nwa s GLN 61 Cb -0.08 -0.15 -0.02 0.00 -1.09 0.00 0.00 33.01 31.67 2nwa s GLN 61 CO -0.02 0.00 -0.21 -1.58 -1.32 0.00 0.00 175.29 172.16 2nwa s TRP 62 N -2.15 2.50 -0.29 9.60 0.51 -1.26 -1.96 118.94 125.89 2nwa s TRP 62 Ca -0.05 -0.36 -0.16 0.00 -2.12 0.00 0.00 56.10 53.42 2nwa s TRP 62 Cb -0.05 -1.57 0.16 0.00 -0.81 0.00 0.00 33.47 31.20 2nwa s TRP 62 CO -0.02 0.03 1.04 -2.00 -0.51 0.00 0.00 176.95 175.49 2nwa s GLU 63 N -0.59 0.29 -0.98 4.98 2.12 -0.40 -5.02 118.70 119.10 2nwa s GLU 63 Ca 0.09 0.56 -0.12 0.00 0.36 0.00 0.00 54.97 55.85 2nwa s GLU 63 Cb -0.11 0.16 -0.00 0.00 0.26 0.00 0.00 34.13 34.44 2nwa s GLU 63 CO 0.00 -0.07 0.72 0.39 -0.54 0.00 0.00 175.26 175.76 2nwa n GLU 64 N 3.97 -1.24 -0.49 4.30 1.02 -1.26 -1.67 120.64 125.27 2nwa n GLU 64 Ca -0.15 0.71 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 2nwa n GLU 64 Cb 0.56 -3.82 0.00 0.00 -0.02 0.00 0.00 31.44 28.16 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 3.49 0.62 0.00 -1.26 -4.92 105.19 101.40 2nwa n GLY 65 Ca -0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.99 1.71 -0.04 1.61 0.52 -0.67 -0.36 118.95 120.73 2nwa s ARG 66 Ca 0.00 -1.82 0.03 0.00 -0.52 0.00 0.00 55.73 53.42 2nwa s ARG 66 Cb 0.00 -1.72 0.01 0.00 0.52 0.00 0.00 34.95 33.76 2nwa s ARG 66 CO 0.00 0.26 -0.12 -0.08 0.02 0.00 0.00 175.30 175.38 2nwa s THR 67 N -2.56 1.03 -0.13 0.02 -1.32 -0.57 -1.28 115.64 110.82 2nwa s THR 67 Ca 0.31 -0.46 0.01 0.00 -1.21 0.00 0.00 61.69 60.34 2nwa s THR 67 Cb -0.02 -0.92 0.02 0.00 -1.51 0.00 0.00 72.50 70.06 2nwa s THR 67 CO 0.15 0.32 -0.16 -0.51 -2.21 0.00 0.00 174.62 172.20 2nwa s ILE 68 N 0.36 1.65 0.13 5.08 2.07 -0.83 0.14 121.20 129.81 2nwa s ILE 68 Ca -0.08 -0.72 0.06 0.00 -1.41 0.00 0.00 60.65 58.51 2nwa s ILE 68 Cb -0.12 -1.51 -0.04 0.00 0.13 0.00 0.00 42.46 40.92 2nwa s ILE 68 CO 0.02 0.47 -0.02 0.27 -1.91 0.00 0.00 174.94 173.77 2nwa s ILE 69 N 1.11 3.74 -0.25 2.00 -4.36 0.48 -2.24 121.20 121.69 2nwa s ILE 69 Ca -0.03 -1.25 0.02 0.00 -0.26 0.00 0.00 60.65 59.14 2nwa s ILE 69 Cb -0.14 -2.82 0.06 0.00 1.25 0.00 0.00 42.46 40.80 2nwa s ILE 69 CO -0.05 0.01 -0.10 -0.89 0.24 0.00 0.00 174.94 174.15 2nwa s THR 70 N -1.48 2.03 0.21 8.37 2.01 -0.37 -0.19 115.64 126.23 2nwa s THR 70 Ca 0.26 -1.51 0.11 0.00 0.31 0.00 0.00 61.69 60.86 2nwa s THR 70 Cb -0.10 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 2nwa s THR 70 CO 0.17 -0.01 -0.21 -0.72 -0.69 0.00 0.00 174.62 173.17 2nwa s TYR 71 N 1.17 2.35 -0.30 4.92 -0.85 -0.22 0.01 117.35 124.44 2nwa s TYR 71 Ca -0.08 -0.33 -0.10 0.00 -0.52 0.00 0.00 57.07 56.05 2nwa s TYR 71 Cb -0.19 -1.13 -0.01 0.00 0.38 0.00 0.00 41.96 41.00 2nwa s TYR 71 CO -0.06 0.54 0.15 0.21 -1.52 0.00 0.00 175.55 174.88 2nwa s LYS 72 N -2.87 3.44 -0.14 -3.49 2.20 -0.19 0.62 119.74 119.31 2nwa s LYS 72 Ca 0.23 -0.65 -0.29 0.00 -0.36 0.00 0.00 55.97 54.90 2nwa s LYS 72 Cb -0.07 -3.55 -0.02 0.00 -1.51 0.00 0.00 37.83 32.68 2nwa s LYS 72 CO 0.12 -0.37 1.26 -1.17 -0.36 0.00 0.00 175.35 174.83 2nwa s LEU 73 N 1.63 4.20 0.00 5.43 2.96 0.12 -1.48 118.68 131.53 2nwa s LEU 73 Ca 0.05 1.72 0.21 0.00 -0.22 0.00 0.00 54.13 55.89 2nwa s LEU 73 Cb -0.17 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.93 2nwa s LEU 73 CO 0.06 -0.73 1.01 0.35 -1.32 0.00 0.00 176.35 175.72 2nwa n THR 74 N 5.25 0.00 -3.65 3.68 -2.24 0.03 -4.88 114.28 112.47 2nwa n THR 74 Ca 0.13 -0.23 -0.02 0.00 -2.27 0.00 0.00 64.05 61.67 2nwa n THR 74 Cb 0.45 1.20 -0.03 0.00 -2.10 0.00 0.00 70.33 69.85 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 -2.46 -0.01 -0.01 3.42 1.04 -1.15 -4.94 113.70 109.58 2nwa s SER 75 Ca 0.16 0.00 0.03 0.00 0.48 0.00 0.00 55.95 56.62 2nwa s SER 75 Cb 0.17 0.01 -0.03 0.00 0.10 0.00 0.00 66.02 66.27 2nwa s SER 75 CO 0.59 -0.01 -0.09 -0.76 0.98 0.00 0.00 173.24 173.95 2nwa s LEU 76 N -1.61 3.07 0.00 2.42 1.02 -1.26 -1.24 118.68 121.07 2nwa s LEU 76 Ca 0.11 -0.16 0.00 0.00 0.02 0.00 0.00 54.13 54.10 2nwa s LEU 76 Cb -0.01 -1.74 0.00 0.00 0.02 0.00 0.00 46.19 44.46 2nwa s LEU 76 CO -0.05 0.30 0.00 1.57 0.02 0.00 0.00 176.35 178.19 2nwa n HIS 77 N 1.72 0.00 -1.62 0.29 -0.00 -0.89 -4.72 115.22 110.00 2nwa n HIS 77 Ca -0.16 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.61 2nwa n HIS 77 Cb 0.52 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.39 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 5.57 -4.55 0.26 7.64 -1.26 -4.92 113.62 116.37 2nwa n SER 78 Ca 0.00 -2.76 -0.39 0.00 1.01 0.00 0.00 58.87 56.72 2nwa n SER 78 Cb 0.00 -1.62 -0.03 0.00 -1.01 0.00 0.00 64.21 61.55 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 2.71 3.55 0.90 0.44 0.11 -1.26 -4.98 120.40 121.87 2nwa s VAL 79 Ca 0.54 0.24 -0.10 0.00 -2.93 0.00 0.00 61.98 59.73 2nwa s VAL 79 Cb 0.15 -4.45 0.14 0.00 -1.53 0.00 0.00 36.38 30.69 2nwa s VAL 79 CO -0.08 -1.40 1.12 0.21 -3.33 0.00 0.00 175.10 171.62 2nwa s ASN 80 N 5.93 3.16 0.00 3.54 2.47 -1.26 -5.22 114.94 123.56 2nwa s ASN 80 Ca 0.51 2.02 0.00 0.00 0.42 0.00 0.00 52.86 55.81 2nwa s ASN 80 Cb -0.10 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.19 2nwa s ASN 80 CO 0.16 -2.92 0.26 0.18 -3.72 0.00 0.00 177.10 171.05