#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e47 n GLY 3 N 0.00 2.40 3.73 -1.41 0.00 -1.26 -5.06 105.19 103.59 2e47 n GLY 3 Ca 0.00 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 2e47 n GLY 3 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2e47 s PHE 4 N 4.21 2.13 0.68 1.61 2.99 -1.26 -5.02 117.98 123.33 2e47 s PHE 4 Ca 0.00 1.59 -0.11 0.00 0.00 0.00 0.00 56.93 58.41 2e47 s PHE 4 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 43.02 39.59 2e47 s PHE 4 CO 0.00 -2.47 1.07 0.95 -0.00 0.00 0.00 175.22 174.77 2e47 s THR 5 N -2.03 3.96 -0.02 0.64 -4.23 -1.26 -5.06 115.64 107.63 2e47 s THR 5 Ca 0.73 0.64 0.01 0.00 -1.18 0.00 0.00 61.69 61.88 2e47 s THR 5 Cb -0.28 -3.56 0.02 0.00 1.34 0.00 0.00 72.50 70.02 2e47 s THR 5 CO 0.44 -0.83 -0.01 0.42 -0.54 0.00 0.00 174.62 174.10 2e47 s THR 6 N -3.23 0.22 0.85 3.99 -4.23 -1.26 -5.15 115.64 106.84 2e47 s THR 6 Ca 0.57 0.02 -0.13 0.00 -1.18 0.00 0.00 61.69 60.97 2e47 s THR 6 Cb -0.12 -0.28 0.11 0.00 1.34 0.00 0.00 72.50 73.54 2e47 s THR 6 CO 0.53 0.13 1.18 -2.16 -0.54 0.00 0.00 174.62 173.77 2e47 s PRO 7 N 0.75 1.62 0.17 3.99 0.04 -1.26 -4.97 135.00 135.34 2e47 s PRO 7 Ca -0.08 0.09 -0.32 0.00 0.04 0.00 0.00 61.00 60.74 2e47 s PRO 7 Cb -0.11 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.41 2e47 s PRO 7 CO -0.01 -1.83 1.68 -1.12 0.04 0.00 0.00 177.00 175.76 2e47 s SER 8 N -4.49 6.47 0.35 6.66 0.01 -1.26 -5.04 113.70 116.40 2e47 s SER 8 Ca 0.64 2.74 0.05 0.00 1.31 0.00 0.00 55.95 60.68 2e47 s SER 8 Cb -0.11 -2.59 -0.07 0.00 0.21 0.00 0.00 66.02 63.46 2e47 s SER 8 CO 0.50 -0.92 0.05 -0.13 0.41 0.00 0.00 173.24 173.15 2e47 s ARG 9 N 1.52 1.74 0.14 12.44 0.52 -1.26 -4.18 118.95 129.87 2e47 s ARG 9 Ca 0.74 -1.98 -0.07 0.00 -0.52 0.00 0.00 55.73 53.91 2e47 s ARG 9 Cb -0.46 -1.06 -0.02 0.00 0.52 0.00 0.00 34.95 33.93 2e47 s ARG 9 CO 0.32 -0.16 0.20 0.00 0.02 0.00 0.00 175.30 175.69 2e47 s ALA 10 N -3.14 0.19 -0.09 2.13 0.00 -0.81 -2.02 121.76 118.02 2e47 s ALA 10 Ca 0.36 -1.00 -0.21 0.00 0.00 0.00 0.00 51.96 51.11 2e47 s ALA 10 Cb 0.09 0.78 0.05 0.00 0.00 0.00 0.00 23.12 24.04 2e47 s ALA 10 CO 0.16 -0.58 0.50 -1.50 0.00 0.00 0.00 175.76 174.34 2e47 s ILE 11 N -3.97 0.02 0.02 0.00 2.07 -0.19 -0.59 121.20 118.56 2e47 s ILE 11 Ca 0.17 -0.16 0.05 0.00 -1.41 0.00 0.00 60.65 59.29 2e47 s ILE 11 Cb 0.05 -0.78 -0.02 0.00 0.13 0.00 0.00 42.46 41.84 2e47 s ILE 11 CO -0.02 -0.09 -0.14 0.00 -1.91 0.00 0.00 174.94 172.78 2e47 s ALA 12 N -0.75 1.18 -0.10 1.50 0.00 0.62 0.22 121.76 124.43 2e47 s ALA 12 Ca -0.08 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.18 2e47 s ALA 12 Cb -0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 23.12 22.85 2e47 s ALA 12 CO 0.05 0.26 -0.22 0.08 0.00 0.00 0.00 175.76 175.93 2e47 s VAL 13 N -0.61 2.29 -0.15 0.00 1.01 -1.26 -1.03 120.40 120.65 2e47 s VAL 13 Ca 0.04 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 60.97 2e47 s VAL 13 Cb -0.07 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 2e47 s VAL 13 CO 0.00 0.55 0.21 -0.76 0.00 0.00 0.00 175.10 175.11 2e47 s LEU 14 N 0.31 4.29 -0.28 3.92 1.02 -0.33 -4.23 118.68 123.39 2e47 s LEU 14 Ca -0.16 0.45 -0.01 0.00 0.02 0.00 0.00 54.13 54.43 2e47 s LEU 14 Cb -0.17 -2.22 0.17 0.00 0.02 0.00 0.00 46.19 43.99 2e47 s LEU 14 CO 0.08 0.23 0.50 -0.55 0.02 0.00 0.00 176.35 176.63 2e47 s SER 15 N -0.11 -0.69 0.28 2.29 0.15 -1.25 -1.67 113.70 112.71 2e47 s SER 15 Ca 0.14 0.46 0.02 0.00 0.70 0.00 0.00 55.95 57.26 2e47 s SER 15 Cb -0.12 1.69 -0.05 0.00 -1.71 0.00 0.00 66.02 65.83 2e47 s SER 15 CO 0.03 -0.29 0.10 -0.89 1.20 0.00 0.00 173.24 173.40 2e47 s THR 16 N 2.72 0.59 0.29 6.45 2.01 -0.29 -5.00 115.64 122.41 2e47 s THR 16 Ca 0.16 -2.00 0.01 0.00 0.31 0.00 0.00 61.69 60.17 2e47 s THR 16 Cb -0.14 -2.62 0.28 0.00 0.01 0.00 0.00 72.50 70.03 2e47 s THR 16 CO -0.21 0.00 1.86 -0.33 -0.69 0.00 0.00 174.62 175.25 2e47 h GLU 17 N 2.30 1.00 0.00 4.92 4.39 -2.01 -3.31 114.58 121.87 2e47 h GLU 17 Ca -0.38 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.16 2e47 h GLU 17 Cb 1.25 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.65 2e47 h GLU 17 CO 0.60 0.66 -1.92 0.25 -1.16 0.00 0.00 179.01 177.44 2e47 n THR 18 N -4.57 0.41 -5.16 1.13 -2.24 -1.26 -5.01 114.28 97.58 2e47 n THR 18 Ca 0.17 -0.51 -0.32 0.00 -2.27 0.00 0.00 64.05 61.13 2e47 n THR 18 Cb 0.30 -0.15 -0.16 0.00 -2.10 0.00 0.00 70.33 68.23 2e47 n THR 18 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2e47 s ILE 19 N -2.91 2.27 -0.01 2.28 1.01 -1.25 -4.19 121.20 118.40 2e47 s ILE 19 Ca -0.07 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.61 2e47 s ILE 19 Cb 0.09 -1.86 0.01 0.00 0.01 0.00 0.00 42.46 40.71 2e47 s ILE 19 CO 0.71 0.56 -0.01 -0.13 0.00 0.00 0.00 174.94 176.07 2e47 s ARG 20 N 0.02 0.13 0.03 2.79 1.81 -0.59 -1.13 118.95 122.00 2e47 s ARG 20 Ca -0.08 -0.01 -0.29 0.00 -1.72 0.00 0.00 55.73 53.63 2e47 s ARG 20 Cb -0.15 -0.19 0.10 0.00 -0.45 0.00 0.00 34.95 34.26 2e47 s ARG 20 CO 0.05 -0.01 1.03 0.20 -0.68 0.00 0.00 175.30 175.89 2e47 s GLY 21 N 0.24 -0.35 -0.05 -3.53 0.00 -0.67 -0.37 107.32 102.60 2e47 s GLY 21 Ca -0.02 0.71 0.05 0.00 0.00 0.00 0.00 44.72 45.46 2e47 s GLY 21 CO -0.01 0.20 -0.19 -1.31 0.00 0.00 0.00 173.10 171.80 2e47 s ASN 22 N -2.70 2.35 -0.10 1.64 0.01 -1.09 -1.18 114.94 113.87 2e47 s ASN 22 Ca 0.10 -0.39 0.01 0.00 -0.71 0.00 0.00 52.86 51.87 2e47 s ASN 22 Cb -0.00 -0.67 0.02 0.00 0.41 0.00 0.00 41.25 41.00 2e47 s ASN 22 CO -0.03 0.17 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.97 2e47 s ILE 23 N 0.02 1.27 0.03 0.60 1.09 -0.20 -2.58 121.20 121.42 2e47 s ILE 23 Ca -0.04 -0.49 0.05 0.00 -1.10 0.00 0.00 60.65 59.06 2e47 s ILE 23 Cb -0.12 -1.19 -0.03 0.00 -1.06 0.00 0.00 42.46 40.05 2e47 s ILE 23 CO 0.03 0.40 -0.10 -0.89 -0.10 0.00 0.00 174.94 174.28 2e47 s THR 24 N 1.15 3.42 -0.09 2.92 2.01 -0.48 -0.27 115.64 124.30 2e47 s THR 24 Ca -0.04 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.04 2e47 s THR 24 Cb -0.14 -2.50 0.02 0.00 0.01 0.00 0.00 72.50 69.89 2e47 s THR 24 CO -0.03 0.34 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.76 2e47 s PHE 25 N -1.01 1.65 -0.02 4.92 0.08 0.24 -1.77 117.98 122.06 2e47 s PHE 25 Ca 0.17 -0.72 0.01 0.00 0.12 0.00 0.00 56.93 56.51 2e47 s PHE 25 Cb -0.11 -1.23 0.02 0.00 -0.57 0.00 0.00 43.02 41.13 2e47 s PHE 25 CO 0.08 -0.40 -0.02 0.95 -0.10 0.00 0.00 175.22 175.74 2e47 s THR 26 N 0.99 0.28 0.21 0.64 -4.23 0.09 -1.93 115.64 111.68 2e47 s THR 26 Ca -0.08 -0.02 -0.30 0.00 -1.18 0.00 0.00 61.69 60.11 2e47 s THR 26 Cb -0.15 -0.32 -0.08 0.00 1.34 0.00 0.00 72.50 73.28 2e47 s THR 26 CO -0.01 0.14 1.05 -1.58 -0.54 0.00 0.00 174.62 173.69 2e47 s GLN 27 N 0.69 4.68 0.03 3.99 0.74 -1.26 0.56 119.66 129.10 2e47 s GLN 27 Ca -0.07 1.66 0.00 0.00 0.05 0.00 0.00 55.36 57.00 2e47 s GLN 27 Cb -0.11 -3.26 -0.00 0.00 1.10 0.00 0.00 33.01 30.74 2e47 s GLN 27 CO -0.01 0.23 0.01 1.33 -0.55 0.00 0.00 175.29 176.30 2e47 n VAL 28 N 1.89 0.00 -1.56 1.34 0.24 0.28 -4.85 118.33 115.68 2e47 n VAL 28 Ca 0.00 -0.18 -0.51 0.00 -2.04 0.00 0.00 64.34 61.61 2e47 n VAL 28 Cb 0.46 0.06 -0.05 0.00 -1.47 0.00 0.00 33.84 32.84 2e47 n VAL 28 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2e47 n GLN 29 N -0.08 0.91 -2.03 7.34 3.00 -1.26 -2.24 117.38 123.02 2e47 n GLN 29 Ca -0.01 0.32 -0.17 0.00 -0.01 0.00 0.00 57.00 57.14 2e47 n GLN 29 Cb 0.05 -1.82 -0.03 0.00 0.00 0.00 0.00 30.24 28.44 2e47 n GLN 29 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2e47 n ASP 30 N 2.05 -4.96 0.00 1.08 8.00 -1.26 -3.24 116.55 118.22 2e47 n ASP 30 Ca 0.17 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.80 2e47 n ASP 30 Cb 0.21 -4.01 0.00 0.00 -0.02 0.00 0.00 41.12 37.30 2e47 n ASP 30 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2e47 n GLY 31 N -0.99 0.59 3.91 0.44 0.00 -0.95 -5.05 105.19 103.14 2e47 n GLY 31 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 2e47 n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2e47 s LYS 32 N -0.07 1.99 -0.12 1.61 1.02 -1.20 -4.84 119.74 118.14 2e47 s LYS 32 Ca 0.00 0.03 0.02 0.00 0.02 0.00 0.00 55.97 56.04 2e47 s LYS 32 Cb 0.00 -1.99 0.01 0.00 -0.52 0.00 0.00 37.83 35.33 2e47 s LYS 32 CO 0.00 -1.54 -0.20 0.08 -0.92 0.00 0.00 175.35 172.78 2e47 s VAL 33 N -3.51 1.84 -0.26 3.17 1.01 -0.53 -0.55 120.40 121.56 2e47 s VAL 33 Ca 0.62 -0.86 -0.21 0.00 0.00 0.00 0.00 61.98 61.53 2e47 s VAL 33 Cb -0.11 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 2e47 s VAL 33 CO 0.48 0.51 0.67 -2.28 0.00 0.00 0.00 175.10 174.48 2e47 s HIS 34 N 0.79 3.28 -0.25 5.22 2.46 0.19 -1.05 115.29 125.93 2e47 s HIS 34 Ca -0.09 0.85 -0.09 0.00 0.47 0.00 0.00 55.06 56.20 2e47 s HIS 34 Cb -0.16 -2.91 -0.04 0.00 -0.13 0.00 0.00 32.58 29.34 2e47 s HIS 34 CO 0.00 -0.36 0.13 0.08 -2.47 0.00 0.00 174.74 172.12 2e47 s VAL 35 N 2.60 4.98 0.07 0.89 1.01 0.38 -0.74 120.40 129.58 2e47 s VAL 35 Ca 0.28 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 62.26 2e47 s VAL 35 Cb -0.15 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 2e47 s VAL 35 CO 0.09 0.33 0.09 0.00 0.00 0.00 0.00 175.10 175.61 2e47 s GLN 36 N 1.31 0.72 0.00 2.72 -2.07 -0.73 -1.65 119.66 119.96 2e47 s GLN 36 Ca 0.06 -1.05 0.00 0.00 -1.82 0.00 0.00 55.36 52.55 2e47 s GLN 36 Cb -0.15 0.27 0.00 0.00 -1.09 0.00 0.00 33.01 32.05 2e47 s GLN 36 CO 0.06 -0.19 0.00 0.41 -1.32 0.00 0.00 175.29 174.25 2e47 n GLY 37 N 0.10 -0.23 3.31 2.60 0.00 -0.59 -1.39 105.19 108.98 2e47 n GLY 37 Ca -0.15 -1.20 -0.14 0.00 0.00 0.00 0.00 46.02 44.54 2e47 n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2e47 s GLY 38 N 0.00 -0.29 -0.00 -0.02 0.00 -1.07 -0.15 107.32 105.80 2e47 s GLY 38 Ca 0.00 0.94 0.02 0.00 0.00 0.00 0.00 44.72 45.68 2e47 s GLY 38 CO 0.00 0.75 -0.06 -0.42 0.00 0.00 0.00 173.10 173.37 2e47 s ILE 39 N -0.34 0.51 0.15 0.90 1.01 0.16 -2.66 121.20 120.92 2e47 s ILE 39 Ca -0.05 -0.30 0.10 0.00 0.00 0.00 0.00 60.65 60.40 2e47 s ILE 39 Cb -0.03 -0.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.96 2e47 s ILE 39 CO 0.02 0.12 -0.24 0.42 0.00 0.00 0.00 174.94 175.27 2e47 s THR 40 N -0.19 2.16 0.00 2.92 -4.23 0.50 -0.15 115.64 116.65 2e47 s THR 40 Ca 0.02 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 2e47 s THR 40 Cb -0.03 -1.95 0.00 0.00 1.34 0.00 0.00 72.50 71.86 2e47 s THR 40 CO -0.00 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 2e47 n GLY 41 N 0.66 0.28 3.36 3.99 0.00 -0.21 -1.55 105.19 111.73 2e47 n GLY 41 Ca -0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 2e47 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2e47 s LEU 42 N 0.00 2.36 0.96 0.99 1.43 -1.25 -4.76 118.68 118.41 2e47 s LEU 42 Ca 0.00 -0.78 -0.11 0.00 -1.03 0.00 0.00 54.13 52.21 2e47 s LEU 42 Cb 0.00 -1.05 0.17 0.00 0.03 0.00 0.00 46.19 45.34 2e47 s LEU 42 CO 0.00 0.10 1.09 -2.16 0.23 0.00 0.00 176.35 175.61 2e47 s PRO 43 N -2.28 0.69 0.35 1.29 0.04 -1.26 -4.15 135.00 129.68 2e47 s PRO 43 Ca 0.14 1.11 -0.29 0.00 0.04 0.00 0.00 61.00 62.00 2e47 s PRO 43 Cb -0.09 -1.72 -0.11 0.00 0.04 0.00 0.00 34.50 32.62 2e47 s PRO 43 CO 0.07 -2.71 1.50 -1.25 0.04 0.00 0.00 177.00 174.64 2e47 s PRO 44 N -4.71 4.12 0.00 0.56 0.04 -1.23 -4.67 135.00 129.11 2e47 s PRO 44 Ca 0.66 2.56 0.00 0.00 0.04 0.00 0.00 61.00 64.25 2e47 s PRO 44 Cb -0.21 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.34 2e47 s PRO 44 CO 0.59 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 177.50 2e47 n GLY 45 N 0.89 -0.53 3.17 0.56 0.00 -1.06 -4.93 105.19 103.29 2e47 n GLY 45 Ca 0.03 -1.41 -0.21 0.00 0.00 0.00 0.00 46.02 44.43 2e47 n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2e47 s GLU 46 N -2.00 0.98 -0.09 1.61 -1.05 -1.26 -1.23 118.70 115.66 2e47 s GLU 46 Ca 0.00 -0.83 -0.07 0.00 -0.15 0.00 0.00 54.97 53.92 2e47 s GLU 46 Cb 0.00 -1.01 0.03 0.00 -0.44 0.00 0.00 34.13 32.71 2e47 s GLU 46 CO 0.00 0.25 0.23 0.71 0.95 0.00 0.00 175.26 177.40 2e47 s TYR 47 N -0.93 -0.27 0.26 4.83 1.51 -0.72 -2.96 117.35 119.06 2e47 s TYR 47 Ca 0.02 0.67 -0.31 0.00 -1.01 0.00 0.00 57.07 56.44 2e47 s TYR 47 Cb -0.08 0.06 -0.13 0.00 -0.11 0.00 0.00 41.96 41.70 2e47 s TYR 47 CO 0.02 -0.16 1.39 0.41 -1.11 0.00 0.00 175.55 176.09 2e47 n GLY 48 N 3.49 0.75 2.67 0.71 0.00 -0.05 -0.53 105.19 112.24 2e47 n GLY 48 Ca -0.18 0.46 -0.22 0.00 0.00 0.00 0.00 46.02 46.08 2e47 n GLY 48 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2e47 s PHE 49 N -0.24 0.19 0.07 1.61 2.19 -0.17 -0.87 117.98 120.76 2e47 s PHE 49 Ca 0.66 0.02 -0.00 0.00 0.33 0.00 0.00 56.93 57.94 2e47 s PHE 49 Cb -0.63 -0.59 -0.04 0.00 -1.31 0.00 0.00 43.02 40.45 2e47 s PHE 49 CO 0.52 -0.31 -0.04 -1.01 1.83 0.00 0.00 175.22 176.21 2e47 s HIS 50 N 2.13 0.64 -0.26 10.12 3.76 -0.63 -3.30 115.29 127.75 2e47 s HIS 50 Ca 0.04 -1.03 -0.19 0.00 -0.15 0.00 0.00 55.06 53.73 2e47 s HIS 50 Cb -0.13 -0.43 -0.02 0.00 1.11 0.00 0.00 32.58 33.10 2e47 s HIS 50 CO -0.05 -0.32 0.55 0.08 -0.85 0.00 0.00 174.74 174.16 2e47 s VAL 51 N -3.84 5.04 0.35 -0.90 1.01 -0.25 -0.81 120.40 121.01 2e47 s VAL 51 Ca 0.09 0.96 0.02 0.00 0.00 0.00 0.00 61.98 63.05 2e47 s VAL 51 Cb 0.07 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 2e47 s VAL 51 CO -0.08 0.07 0.53 -1.00 0.00 0.00 0.00 175.10 174.61 2e47 s HIS 52 N 2.35 3.36 0.15 5.22 3.76 0.95 -0.49 115.29 130.60 2e47 s HIS 52 Ca 0.23 0.15 -0.12 0.00 -0.15 0.00 0.00 55.06 55.18 2e47 s HIS 52 Cb -0.16 -1.94 -0.01 0.00 1.11 0.00 0.00 32.58 31.59 2e47 s HIS 52 CO 0.09 0.05 1.54 1.49 -0.85 0.00 0.00 174.74 177.06 2e47 h GLU 53 N 0.78 0.92 -6.27 1.40 4.81 -0.57 -3.04 114.58 112.61 2e47 h GLU 53 Ca -0.49 -0.38 -0.66 0.00 -0.13 0.00 0.00 59.36 57.70 2e47 h GLU 53 Cb 1.23 -0.04 -0.14 0.00 0.63 0.00 0.00 28.75 30.44 2e47 h GLU 53 CO 0.59 1.04 -0.67 0.15 -0.73 0.00 0.00 179.01 179.39 2e47 s LYS 54 N -4.71 2.63 -0.74 1.92 -0.14 0.87 -4.71 119.74 114.85 2e47 s LYS 54 Ca -0.12 -0.73 -0.01 0.00 -1.36 0.00 0.00 55.97 53.75 2e47 s LYS 54 Cb 0.11 -2.58 0.39 0.00 -1.68 0.00 0.00 37.83 34.08 2e47 s LYS 54 CO 0.85 0.59 1.95 0.41 -0.76 0.00 0.00 175.35 178.39 2e47 n GLY 55 N 1.10 5.70 3.22 -3.33 0.00 -1.13 -3.86 105.19 106.89 2e47 n GLY 55 Ca -0.13 -2.44 -0.37 0.00 0.00 0.00 0.00 46.02 43.07 2e47 n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2e47 s ASP 56 N -1.57 5.26 -0.06 1.61 2.15 -1.26 -4.91 116.67 117.89 2e47 s ASP 56 Ca 0.56 -1.42 0.17 0.00 0.43 0.00 0.00 52.55 52.29 2e47 s ASP 56 Cb 0.46 -1.84 0.58 0.00 -0.30 0.00 0.00 42.92 41.82 2e47 s ASP 56 CO -0.25 -0.39 1.49 0.18 -0.17 0.00 0.00 175.17 176.03 2e47 n LEU 57 N 4.74 4.00 0.21 -1.34 4.32 -1.26 -2.54 117.00 125.13 2e47 n LEU 57 Ca -0.10 -2.27 0.05 0.00 -0.02 0.00 0.00 56.01 53.67 2e47 n LEU 57 Cb 0.43 -0.46 0.47 0.00 -1.62 0.00 0.00 43.42 42.24 2e47 n LEU 57 CO 0.32 0.83 0.83 0.77 -1.22 0.00 0.00 177.39 178.91 2e47 h SER 58 N 3.38 0.00 -0.78 -1.43 4.64 -1.93 -2.23 113.55 115.20 2e47 h SER 58 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 2e47 h SER 58 Cb 1.15 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.89 2e47 h SER 58 CO 0.11 0.26 -0.20 0.61 -0.87 0.00 0.00 176.83 176.75 2e47 n GLY 59 N -0.68 6.07 7.00 -0.77 0.00 -1.26 -5.06 105.19 110.49 2e47 n GLY 59 Ca -0.02 -2.39 0.00 0.00 0.00 0.00 0.00 46.02 43.61 2e47 n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e47 n GLY 60 N -0.83 0.17 0.28 -0.02 0.00 -0.84 -3.72 105.19 100.23 2e47 n GLY 60 Ca 0.49 -0.92 0.13 0.00 0.00 0.00 0.00 46.02 45.72 2e47 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e47 h LEU 62 N 0.00 1.03 0.00 0.00 7.12 -1.91 -2.80 115.31 118.74 2e47 h LEU 62 Ca -0.00 -0.07 0.00 0.00 0.13 0.00 0.00 57.88 57.94 2e47 h LEU 62 Cb 0.14 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.01 2e47 h LEU 62 CO 0.01 0.80 0.00 -1.54 -0.13 0.00 0.00 178.44 177.57 2e47 n SER 63 N -4.36 0.00 0.06 1.25 3.41 -1.20 -1.96 113.62 110.81 2e47 n SER 63 Ca 0.09 0.04 0.08 0.00 -0.26 0.00 0.00 58.87 58.82 2e47 n SER 63 Cb 0.07 -0.31 0.36 0.00 -0.26 0.00 0.00 64.21 64.07 2e47 n SER 63 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2e47 n THR 64 N -1.31 1.04 -3.10 6.66 -2.24 -1.05 -4.44 114.28 109.84 2e47 n THR 64 Ca 0.10 0.30 0.00 0.00 -2.27 0.00 0.00 64.05 62.18 2e47 n THR 64 Cb 0.19 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 2e47 n THR 64 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2e47 n GLY 65 N -0.24 -0.79 0.79 3.38 0.00 -0.83 -0.09 105.19 107.41 2e47 n GLY 65 Ca 0.02 -1.35 -0.04 0.00 0.00 0.00 0.00 46.02 44.65 2e47 n GLY 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2e47 n SER 66 N 0.49 0.64 -4.77 1.61 3.41 -1.26 -4.73 113.62 109.01 2e47 n SER 66 Ca 0.00 -1.33 -0.41 0.00 -0.26 0.00 0.00 58.87 56.87 2e47 n SER 66 Cb 0.00 -0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 63.87 2e47 n SER 66 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2e47 s HIS 67 N 0.08 2.92 0.04 7.33 3.76 -1.26 -0.35 115.29 127.81 2e47 s HIS 67 Ca 0.11 1.33 -0.30 0.00 -0.15 0.00 0.00 55.06 56.05 2e47 s HIS 67 Cb -0.01 -3.78 -0.09 0.00 1.11 0.00 0.00 32.58 29.81 2e47 s HIS 67 CO 0.07 -2.21 1.95 0.12 -0.85 0.00 0.00 174.74 173.83 2e47 s PHE 68 N -1.10 1.35 -0.41 1.40 5.36 0.36 -4.53 117.98 120.41 2e47 s PHE 68 Ca 0.50 -0.42 0.09 0.00 -0.96 0.00 0.00 56.93 56.14 2e47 s PHE 68 Cb -0.42 -4.24 0.31 0.00 -0.34 0.00 0.00 43.02 38.33 2e47 s PHE 68 CO 0.55 -5.50 0.78 -1.71 -1.46 0.00 0.00 175.22 167.89 2e47 n ASN 69 N 7.40 -0.48 0.28 6.13 4.05 -1.26 -1.87 115.26 129.51 2e47 n ASN 69 Ca 0.20 -3.12 0.17 0.00 0.45 0.00 0.00 54.58 52.27 2e47 n ASN 69 Cb 0.41 0.23 0.73 0.00 1.23 0.00 0.00 39.78 42.38 2e47 n ASN 69 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 2e47 h PRO 70 N 3.37 0.00 -0.05 1.20 0.13 -1.91 -2.50 132.00 132.25 2e47 h PRO 70 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2e47 h PRO 70 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2e47 h PRO 70 CO 0.39 0.04 0.00 0.39 -0.23 0.00 0.00 178.00 178.59 2e47 n GLU 71 N -3.18 1.91 -3.63 0.86 -0.58 -1.26 -4.97 120.64 109.79 2e47 n GLU 71 Ca -0.00 -1.33 -0.21 0.00 -0.42 0.00 0.00 57.16 55.20 2e47 n GLU 71 Cb 0.29 -1.47 0.05 0.00 -0.57 0.00 0.00 31.44 29.74 2e47 n GLU 71 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2e47 n HIS 72 N 0.61 -2.07 -2.73 -0.32 8.25 -0.94 -5.02 115.22 113.00 2e47 n HIS 72 Ca 0.17 0.88 -0.10 0.00 -0.26 0.00 0.00 57.72 58.41 2e47 n HIS 72 Cb 0.44 -4.60 0.05 0.00 1.12 0.00 0.00 29.99 27.00 2e47 n HIS 72 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2e47 n LYS 73 N -4.30 0.54 -2.76 -0.41 5.02 -1.26 -5.12 118.16 109.88 2e47 n LYS 73 Ca -0.26 -1.43 -0.21 0.00 -2.02 0.00 0.00 58.31 54.38 2e47 n LYS 73 Cb 0.66 -0.22 0.03 0.00 -0.02 0.00 0.00 35.03 35.48 2e47 n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2e47 s ASP 74 N -2.87 5.45 0.26 4.39 1.01 -1.26 -4.79 116.67 118.86 2e47 s ASP 74 Ca 0.31 0.04 -0.29 0.00 0.71 0.00 0.00 52.55 53.32 2e47 s ASP 74 Cb -0.02 -1.04 -0.09 0.00 1.01 0.00 0.00 42.92 42.77 2e47 s ASP 74 CO 0.20 -1.00 1.25 -2.28 0.21 0.00 0.00 175.17 173.55 2e47 s HIS 75 N -2.68 3.28 0.00 4.23 5.65 0.19 -2.34 115.29 123.62 2e47 s HIS 75 Ca 0.55 1.43 0.00 0.00 0.25 0.00 0.00 55.06 57.28 2e47 s HIS 75 Cb -0.10 -3.53 0.00 0.00 -1.18 0.00 0.00 32.58 27.76 2e47 s HIS 75 CO 0.38 -1.48 0.00 0.41 -0.65 0.00 0.00 174.74 173.40 2e47 n GLY 76 N 1.52 3.25 3.76 1.59 0.00 -1.25 -4.36 105.19 109.70 2e47 n GLY 76 Ca 0.02 -1.39 -0.39 0.00 0.00 0.00 0.00 46.02 44.25 2e47 n GLY 76 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2e47 s HIS 77 N -4.69 3.69 0.60 1.61 5.65 -1.23 -4.74 115.29 116.19 2e47 s HIS 77 Ca 0.00 1.77 0.30 0.00 0.25 0.00 0.00 55.06 57.38 2e47 s HIS 77 Cb 0.00 -3.14 1.67 0.00 -1.18 0.00 0.00 32.58 29.94 2e47 s HIS 77 CO 0.00 -0.16 2.08 -1.35 -0.65 0.00 0.00 174.74 174.66 2e47 h PRO 78 N 3.72 0.00 0.00 2.88 0.11 -1.88 0.29 132.00 137.12 2e47 h PRO 78 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2e47 h PRO 78 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2e47 h PRO 78 CO 0.67 0.00 -0.00 0.09 -0.21 0.00 0.00 178.00 178.54 2e47 n ASN 79 N -3.69 0.49 -4.80 -2.05 3.02 -1.26 -4.89 115.26 102.09 2e47 n ASN 79 Ca 0.02 0.54 -0.34 0.00 -0.03 0.00 0.00 54.58 54.77 2e47 n ASN 79 Cb 0.36 -0.68 -0.03 0.00 -0.61 0.00 0.00 39.78 38.82 2e47 n ASN 79 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2e47 s ASP 80 N -3.92 6.30 0.12 6.41 -0.00 0.10 -4.99 116.67 120.68 2e47 s ASP 80 Ca 0.12 1.91 -0.12 0.00 -0.00 0.00 0.00 52.55 54.46 2e47 s ASP 80 Cb 0.15 -2.56 -0.11 0.00 -0.00 0.00 0.00 42.92 40.41 2e47 s ASP 80 CO 0.57 -0.81 1.38 0.58 -0.00 0.00 0.00 175.17 176.89 2e47 h VAL 81 N 1.43 1.28 -2.12 -1.27 2.07 -1.90 -3.38 116.25 112.36 2e47 h VAL 81 Ca -0.49 -1.78 -0.68 0.00 0.82 0.00 0.00 66.70 64.58 2e47 h VAL 81 Cb 1.22 1.71 -0.16 0.00 -1.52 0.00 0.00 31.29 32.54 2e47 h VAL 81 CO 0.59 0.58 1.02 0.21 0.02 0.00 0.00 177.57 179.98 2e47 s ASN 82 N -6.97 6.64 0.11 0.57 3.04 -1.26 -4.89 114.94 112.18 2e47 s ASN 82 Ca -0.11 -2.02 -0.14 0.00 0.04 0.00 0.00 52.86 50.64 2e47 s ASN 82 Cb 0.10 -2.43 0.03 0.00 -1.54 0.00 0.00 41.25 37.40 2e47 s ASN 82 CO 0.89 -1.12 0.35 0.00 -3.04 0.00 0.00 177.10 174.18 2e47 s ARG 83 N 3.04 1.01 0.60 0.43 1.70 -1.13 -3.80 118.95 120.80 2e47 s ARG 83 Ca 0.36 -0.77 -0.16 0.00 -0.47 0.00 0.00 55.73 54.70 2e47 s ARG 83 Cb -0.04 0.44 -0.03 0.00 -0.57 0.00 0.00 34.95 34.75 2e47 s ARG 83 CO -0.09 -0.38 1.07 -1.01 -1.08 0.00 0.00 175.30 173.82 2e47 s HIS 84 N -3.80 2.92 0.41 5.89 3.76 -0.99 -4.61 115.29 118.87 2e47 s HIS 84 Ca 0.03 1.52 0.08 0.00 -0.15 0.00 0.00 55.06 56.54 2e47 s HIS 84 Cb 0.03 -3.04 0.85 0.00 1.11 0.00 0.00 32.58 31.52 2e47 s HIS 84 CO -0.12 -1.21 2.03 0.28 -0.85 0.00 0.00 174.74 174.87 2e47 h VAL 85 N 0.43 1.12 0.00 -0.90 2.07 -1.87 -2.78 116.25 114.31 2e47 h VAL 85 Ca -0.47 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.74 2e47 h VAL 85 Cb 1.23 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2e47 h VAL 85 CO 0.57 0.13 0.00 0.61 0.02 0.00 0.00 177.57 178.90 2e47 n GLY 86 N -1.34 -0.99 3.54 2.17 0.00 -0.78 -4.30 105.19 103.49 2e47 n GLY 86 Ca 0.02 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 2e47 n GLY 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2e47 s ASP 87 N -1.83 6.59 0.00 1.61 1.01 -1.05 -1.09 116.67 121.91 2e47 s ASP 87 Ca 0.39 -1.75 0.27 0.00 0.71 0.00 0.00 52.55 52.17 2e47 s ASP 87 Cb 0.18 -2.53 0.81 0.00 1.01 0.00 0.00 42.92 42.39 2e47 s ASP 87 CO 0.30 -1.35 1.62 0.18 0.21 0.00 0.00 175.17 176.13 2e47 n LEU 88 N 8.27 0.37 0.00 1.23 4.77 -1.21 -4.14 117.00 126.29 2e47 n LEU 88 Ca 0.33 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 2e47 n LEU 88 Cb 0.50 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2e47 n LEU 88 CO 0.64 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 2e47 n GLY 89 N 1.47 0.42 3.45 -0.72 0.00 -1.21 -4.82 105.19 103.78 2e47 n GLY 89 Ca 0.07 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 2e47 n GLY 89 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2e47 s ASN 90 N -4.00 3.65 0.02 1.61 0.02 -1.26 -1.00 114.94 113.98 2e47 s ASN 90 Ca 0.00 -0.64 0.02 0.00 -1.02 0.00 0.00 52.86 51.21 2e47 s ASN 90 Cb 0.00 -0.41 -0.04 0.00 0.02 0.00 0.00 41.25 40.82 2e47 s ASN 90 CO 0.00 0.18 0.03 0.68 0.02 0.00 0.00 177.10 178.00 2e47 s VAL 91 N -1.13 4.30 -0.18 1.60 -7.23 0.31 -4.84 120.40 113.24 2e47 s VAL 91 Ca 0.17 -0.65 -0.06 0.00 -1.81 0.00 0.00 61.98 59.63 2e47 s VAL 91 Cb -0.10 -2.97 -0.03 0.00 0.56 0.00 0.00 36.38 33.83 2e47 s VAL 91 CO 0.09 0.29 0.02 -0.69 -0.31 0.00 0.00 175.10 174.50 2e47 s VAL 92 N -1.19 4.40 -0.00 1.32 1.01 -1.26 -1.76 120.40 122.91 2e47 s VAL 92 Ca 0.23 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 61.97 2e47 s VAL 92 Cb -0.12 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 2e47 s VAL 92 CO 0.14 0.47 0.25 -0.36 0.00 0.00 0.00 175.10 175.59 2e47 s PHE 93 N 0.44 3.58 0.72 5.22 0.08 -0.36 -4.15 117.98 123.50 2e47 s PHE 93 Ca 0.00 0.54 0.02 0.00 0.12 0.00 0.00 56.93 57.61 2e47 s PHE 93 Cb -0.13 -1.97 0.14 0.00 -0.57 0.00 0.00 43.02 40.49 2e47 s PHE 93 CO 0.01 0.63 0.99 0.16 -0.10 0.00 0.00 175.22 176.91 2e47 s ASP 94 N -1.68 4.35 0.60 1.36 3.84 0.51 -2.57 116.67 123.09 2e47 s ASP 94 Ca 0.26 -0.60 0.31 0.00 -0.00 0.00 0.00 52.55 52.53 2e47 s ASP 94 Cb -0.13 0.29 1.82 0.00 -1.38 0.00 0.00 42.92 43.52 2e47 s ASP 94 CO 0.16 -1.88 2.20 -0.33 -0.00 0.00 0.00 175.17 175.32 2e47 h GLU 95 N -0.46 0.00 -0.55 2.11 4.39 -1.95 0.71 114.58 118.84 2e47 h GLU 95 Ca -0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.37 2e47 h GLU 95 Cb 1.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 2e47 h GLU 95 CO 0.37 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 178.31 2e47 n ASN 96 N -3.73 1.74 -2.76 1.42 4.13 -1.26 -4.79 115.26 110.02 2e47 n ASN 96 Ca -0.01 -2.13 -0.20 0.00 1.68 0.00 0.00 54.58 53.91 2e47 n ASN 96 Cb 0.18 -0.35 0.01 0.00 -1.54 0.00 0.00 39.78 38.08 2e47 n ASN 96 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 2e47 n HIS 97 N 0.15 -1.54 -5.18 3.10 8.25 0.24 -4.89 115.22 115.35 2e47 n HIS 97 Ca 0.07 0.25 -0.30 0.00 -0.26 0.00 0.00 57.72 57.49 2e47 n HIS 97 Cb 0.35 -3.84 -0.16 0.00 1.12 0.00 0.00 29.99 27.46 2e47 n HIS 97 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2e47 s TYR 98 N -3.01 2.22 -0.13 4.41 5.04 -1.25 -1.04 117.35 123.58 2e47 s TYR 98 Ca 0.16 -0.57 0.02 0.00 -2.44 0.00 0.00 57.07 54.25 2e47 s TYR 98 Cb -0.08 -1.45 0.01 0.00 0.35 0.00 0.00 41.96 40.80 2e47 s TYR 98 CO 0.20 -0.14 -0.19 0.45 -1.34 0.00 0.00 175.55 174.53 2e47 s SER 99 N -0.29 2.83 -0.33 4.32 0.15 0.79 -0.36 113.70 120.81 2e47 s SER 99 Ca 0.01 -0.53 -0.17 0.00 0.70 0.00 0.00 55.95 55.96 2e47 s SER 99 Cb -0.12 -1.30 -0.01 0.00 -1.71 0.00 0.00 66.02 62.89 2e47 s SER 99 CO 0.02 0.04 0.46 -0.60 1.20 0.00 0.00 173.24 174.36 2e47 s ARG 100 N 0.94 3.67 -0.17 5.44 3.00 -1.26 -0.67 118.95 129.91 2e47 s ARG 100 Ca -0.06 -0.18 -0.13 0.00 -1.00 0.00 0.00 55.73 54.36 2e47 s ARG 100 Cb -0.15 -3.78 -0.05 0.00 0.00 0.00 0.00 34.95 30.97 2e47 s ARG 100 CO -0.03 -0.56 0.26 0.42 0.00 0.00 0.00 175.30 175.39 2e47 s ILE 101 N 2.26 5.33 -0.32 4.11 1.01 0.79 -4.78 121.20 129.60 2e47 s ILE 101 Ca 0.17 0.46 0.06 0.00 0.00 0.00 0.00 60.65 61.34 2e47 s ILE 101 Cb -0.16 -3.60 0.19 0.00 0.01 0.00 0.00 42.46 38.91 2e47 s ILE 101 CO 0.12 0.39 0.57 -0.62 0.00 0.00 0.00 174.94 175.40 2e47 s ASP 102 N 0.48 -1.26 0.08 3.58 3.68 -1.25 -1.54 116.67 120.45 2e47 s ASP 102 Ca 0.14 -0.17 -0.15 0.00 2.13 0.00 0.00 52.55 54.51 2e47 s ASP 102 Cb -0.13 1.85 0.03 0.00 -1.45 0.00 0.00 42.92 43.22 2e47 s ASP 102 CO 0.03 -0.28 0.35 -1.48 0.13 0.00 0.00 175.17 173.92 2e47 s LEU 103 N 2.52 0.66 -0.11 -1.34 0.05 -0.66 -5.02 118.68 114.77 2e47 s LEU 103 Ca 0.12 -0.27 0.01 0.00 0.05 0.00 0.00 54.13 54.03 2e47 s LEU 103 Cb -0.09 1.59 -0.02 0.00 -2.05 0.00 0.00 46.19 45.62 2e47 s LEU 103 CO -0.21 -0.74 -0.13 -0.69 -0.55 0.00 0.00 176.35 174.03 2e47 s VAL 104 N -3.26 3.11 -0.05 1.48 1.01 -1.26 -0.47 120.40 120.95 2e47 s VAL 104 Ca -0.00 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.38 2e47 s VAL 104 Cb 0.01 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 2e47 s VAL 104 CO -0.08 0.54 -0.24 -0.62 0.00 0.00 0.00 175.10 174.70 2e47 s ASP 105 N 0.05 2.93 0.00 3.32 -1.08 -0.22 -4.96 116.67 116.71 2e47 s ASP 105 Ca -0.04 -0.49 0.19 0.00 -0.52 0.00 0.00 52.55 51.69 2e47 s ASP 105 Cb -0.14 -0.80 0.56 0.00 -1.46 0.00 0.00 42.92 41.07 2e47 s ASP 105 CO 0.04 0.23 1.47 -0.90 0.52 0.00 0.00 175.17 176.53 2e47 n ASP 106 N 2.97 3.69 -0.10 -0.34 5.75 -1.26 -1.46 116.55 125.80 2e47 n ASP 106 Ca -0.17 -2.00 -0.19 0.00 -0.01 0.00 0.00 54.79 52.41 2e47 n ASP 106 Cb 0.52 -0.42 -0.08 0.00 -1.03 0.00 0.00 41.12 40.10 2e47 n ASP 106 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 2e47 n GLN 107 N 1.35 0.48 -1.47 0.11 -0.06 -1.26 -4.95 117.38 111.58 2e47 n GLN 107 Ca 0.21 0.16 -0.33 0.00 -2.00 0.00 0.00 57.00 55.05 2e47 n GLN 107 Cb 0.57 -1.32 0.08 0.00 -4.06 0.00 0.00 30.24 25.51 2e47 n GLN 107 CO 0.00 0.00 0.00 0.96 -0.20 0.00 0.00 177.06 177.82 2e47 s ILE 108 N -2.40 2.90 0.16 1.69 -4.36 -1.26 -4.84 121.20 113.09 2e47 s ILE 108 Ca -0.29 0.38 -0.07 0.00 -0.26 0.00 0.00 60.65 60.41 2e47 s ILE 108 Cb 0.10 -2.86 -0.02 0.00 1.25 0.00 0.00 42.46 40.93 2e47 s ILE 108 CO 0.42 -0.29 0.24 -0.55 0.24 0.00 0.00 174.94 175.00 2e47 s SER 109 N -2.60 0.09 0.08 4.36 0.15 -0.69 -4.49 113.70 110.60 2e47 s SER 109 Ca 0.68 -0.95 0.24 0.00 0.70 0.00 0.00 55.95 56.62 2e47 s SER 109 Cb -0.22 0.41 0.40 0.00 -1.71 0.00 0.00 66.02 64.89 2e47 s SER 109 CO 0.47 -0.87 1.34 0.18 1.20 0.00 0.00 173.24 175.56 2e47 n LEU 110 N -0.20 0.61 -4.05 3.45 4.77 -1.26 -0.59 117.00 119.74 2e47 n LEU 110 Ca -0.07 0.15 -0.14 0.00 -0.03 0.00 0.00 56.01 55.93 2e47 n LEU 110 Cb 0.63 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 2e47 n LEU 110 CO 0.26 0.01 0.19 -0.94 -1.33 0.00 0.00 177.39 175.57 2e47 s SER 111 N -3.82 0.76 0.00 -1.43 1.04 -1.26 -4.50 113.70 104.49 2e47 s SER 111 Ca 0.08 -1.42 0.00 0.00 0.48 0.00 0.00 55.95 55.09 2e47 s SER 111 Cb 0.15 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.95 2e47 s SER 111 CO 0.72 -1.34 0.00 0.61 0.98 0.00 0.00 173.24 174.21 2e47 n GLY 112 N -0.55 -2.03 0.06 7.32 0.00 -1.26 -3.16 105.19 105.58 2e47 n GLY 112 Ca -0.00 -1.55 0.12 0.00 0.00 0.00 0.00 46.02 44.58 2e47 n GLY 112 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2e47 n PRO 113 N -0.00 0.13 -0.38 1.61 -0.04 -1.26 -1.75 135.00 133.31 2e47 n PRO 113 Ca 0.00 0.22 0.08 0.00 -0.04 0.00 0.00 63.50 63.75 2e47 n PRO 113 Cb 0.00 -1.69 0.25 0.00 -0.04 0.00 0.00 33.50 32.03 2e47 n PRO 113 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2e47 n HIS 114 N -1.92 0.94 -2.06 0.54 8.25 -1.26 -4.88 115.22 114.84 2e47 n HIS 114 Ca 0.05 -0.41 -0.42 0.00 -0.26 0.00 0.00 57.72 56.68 2e47 n HIS 114 Cb 0.31 -0.11 -0.03 0.00 1.12 0.00 0.00 29.99 31.28 2e47 n HIS 114 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2e47 s GLY 115 N -0.88 1.87 0.00 -1.41 0.00 -0.72 -1.70 107.32 104.48 2e47 s GLY 115 Ca 0.37 1.24 0.21 0.00 0.00 0.00 0.00 44.72 46.54 2e47 s GLY 115 CO 0.21 2.44 1.23 0.29 0.00 0.00 0.00 173.10 177.26 2e47 n ILE 116 N 3.72 0.17 -2.12 0.90 -5.35 0.24 -4.91 119.36 112.01 2e47 n ILE 116 Ca 0.12 -0.58 -0.42 0.00 -0.27 0.00 0.00 62.75 61.60 2e47 n ILE 116 Cb 0.41 1.29 -0.03 0.00 -1.74 0.00 0.00 39.64 39.56 2e47 n ILE 116 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2e47 s ILE 117 N -1.64 3.08 0.00 7.28 1.01 -1.26 -0.98 121.20 128.69 2e47 s ILE 117 Ca 0.28 0.82 0.00 0.00 0.00 0.00 0.00 60.65 61.75 2e47 s ILE 117 Cb 0.19 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 39.13 2e47 s ILE 117 CO 0.27 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.91 2e47 n GLY 118 N 3.04 1.26 0.86 6.18 0.00 -0.05 -5.03 105.19 111.45 2e47 n GLY 118 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 2e47 n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2e47 n ARG 119 N -2.00 0.38 -4.56 1.61 1.74 -0.15 -2.82 116.66 110.87 2e47 n ARG 119 Ca 0.00 -0.59 -0.24 0.00 -0.77 0.00 0.00 57.85 56.25 2e47 n ARG 119 Cb 0.00 -0.16 -0.14 0.00 -1.02 0.00 0.00 32.46 31.14 2e47 n ARG 119 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2e47 s ALA 120 N -2.97 1.57 0.00 7.54 0.00 -1.15 -0.65 121.76 126.11 2e47 s ALA 120 Ca 0.15 -0.98 -0.11 0.00 0.00 0.00 0.00 51.96 51.02 2e47 s ALA 120 Cb -0.01 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.77 2e47 s ALA 120 CO 0.10 0.34 0.34 0.08 0.00 0.00 0.00 175.76 176.62 2e47 s VAL 121 N -0.80 5.16 -0.06 0.00 1.01 -0.30 -0.03 120.40 125.38 2e47 s VAL 121 Ca 0.06 0.54 0.01 0.00 0.00 0.00 0.00 61.98 62.58 2e47 s VAL 121 Cb -0.08 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.69 2e47 s VAL 121 CO 0.02 0.47 -0.05 -0.69 0.00 0.00 0.00 175.10 174.85 2e47 s VAL 122 N -1.19 0.66 -0.16 2.92 1.01 0.01 -1.58 120.40 122.08 2e47 s VAL 122 Ca 0.25 -0.16 -0.08 0.00 0.00 0.00 0.00 61.98 62.00 2e47 s VAL 122 Cb -0.15 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 2e47 s VAL 122 CO 0.14 0.27 0.13 -0.22 0.00 0.00 0.00 175.10 175.41 2e47 s LEU 123 N 1.14 4.25 0.34 3.92 2.96 0.15 -1.60 118.68 129.83 2e47 s LEU 123 Ca -0.07 0.33 0.08 0.00 -0.22 0.00 0.00 54.13 54.25 2e47 s LEU 123 Cb -0.14 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 2e47 s LEU 123 CO -0.01 0.30 0.22 -1.00 -1.32 0.00 0.00 176.35 174.53 2e47 s HIS 124 N -0.35 2.80 -0.18 5.38 3.76 -0.05 0.24 115.29 126.89 2e47 s HIS 124 Ca 0.11 -0.35 0.25 0.00 -0.15 0.00 0.00 55.06 54.93 2e47 s HIS 124 Cb -0.12 -1.72 0.65 0.00 1.11 0.00 0.00 32.58 32.50 2e47 s HIS 124 CO 0.01 0.26 1.72 1.05 -0.85 0.00 0.00 174.74 176.92 2e47 h GLU 125 N 1.40 0.00 -4.85 1.40 4.11 -0.85 -3.39 114.58 112.41 2e47 h GLU 125 Ca -0.44 0.00 -0.43 0.00 0.07 0.00 0.00 59.36 58.56 2e47 h GLU 125 Cb 1.25 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.37 2e47 h GLU 125 CO 0.61 0.10 -0.51 -1.59 0.07 0.00 0.00 179.01 177.69 2e47 s LYS 126 N -3.36 1.65 0.48 1.06 -2.85 -0.07 -4.98 119.74 111.68 2e47 s LYS 126 Ca 0.04 -1.95 -0.23 0.00 -1.00 0.00 0.00 55.97 52.83 2e47 s LYS 126 Cb 0.07 0.31 -0.07 0.00 -2.06 0.00 0.00 37.83 36.09 2e47 s LYS 126 CO 0.64 -0.60 1.28 0.00 0.10 0.00 0.00 175.35 176.78 2e47 s ALA 127 N -3.58 2.99 -0.01 0.59 0.00 -1.16 -0.87 121.76 119.73 2e47 s ALA 127 Ca 0.40 1.18 -0.30 0.00 0.00 0.00 0.00 51.96 53.25 2e47 s ALA 127 Cb 0.03 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 2e47 s ALA 127 CO 0.25 -1.00 1.04 0.34 0.00 0.00 0.00 175.76 176.39 2e47 s ASP 128 N -1.02 7.27 0.00 0.00 3.68 -1.26 -4.09 116.67 121.25 2e47 s ASP 128 Ca 0.65 1.72 0.19 0.00 2.13 0.00 0.00 52.55 57.24 2e47 s ASP 128 Cb -0.36 -2.57 0.52 0.00 -1.45 0.00 0.00 42.92 39.07 2e47 s ASP 128 CO 0.44 -0.35 1.43 -0.90 0.13 0.00 0.00 175.17 175.92 2e47 n ASP 129 N 4.17 2.85 -1.23 -0.34 3.85 0.57 -4.92 116.55 121.50 2e47 n ASP 129 Ca 0.07 -1.94 -0.14 0.00 -0.71 0.00 0.00 54.79 52.07 2e47 n ASP 129 Cb 0.49 -0.29 -0.05 0.00 -1.35 0.00 0.00 41.12 39.92 2e47 n ASP 129 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 2e47 n TYR 130 N 1.07 -0.16 -1.12 2.11 4.01 -1.26 -2.12 117.16 119.68 2e47 n TYR 130 Ca 0.18 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.88 2e47 n TYR 130 Cb 0.48 -2.67 -0.02 0.00 -0.31 0.00 0.00 39.34 36.82 2e47 n TYR 130 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2e47 n GLY 131 N -1.17 0.70 0.37 2.72 0.00 -1.22 -3.48 105.19 103.11 2e47 n GLY 131 Ca -0.15 -0.57 0.08 0.00 0.00 0.00 0.00 46.02 45.38 2e47 n GLY 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2e47 n LYS 132 N -2.56 1.60 -1.80 1.61 5.02 -0.90 -4.56 118.16 116.56 2e47 n LYS 132 Ca -0.04 -0.81 -0.11 0.00 -2.02 0.00 0.00 58.31 55.33 2e47 n LYS 132 Cb 0.18 -1.31 0.05 0.00 -0.02 0.00 0.00 35.03 33.93 2e47 n LYS 132 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2e47 n SER 133 N -0.16 0.88 -0.00 4.39 3.41 -1.26 -5.04 113.62 115.84 2e47 n SER 133 Ca 0.07 -1.68 0.09 0.00 -0.26 0.00 0.00 58.87 57.10 2e47 n SER 133 Cb 0.36 -0.27 -0.11 0.00 -0.26 0.00 0.00 64.21 63.93 2e47 n SER 133 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2e47 n ASP 134 N -2.80 0.90 -4.77 4.04 5.68 -1.26 -4.83 116.55 113.50 2e47 n ASP 134 Ca 0.08 -0.92 -0.40 0.00 -0.50 0.00 0.00 54.79 53.05 2e47 n ASP 134 Cb 0.30 1.04 0.01 0.00 -1.14 0.00 0.00 41.12 41.33 2e47 n ASP 134 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 2e47 s HIS 135 N -2.86 2.55 0.52 2.11 2.46 -1.26 -4.93 115.29 113.87 2e47 s HIS 135 Ca 0.07 1.22 0.20 0.00 0.47 0.00 0.00 55.06 57.02 2e47 s HIS 135 Cb 0.15 -3.96 1.33 0.00 -0.13 0.00 0.00 32.58 29.96 2e47 s HIS 135 CO 0.80 -2.91 2.08 -1.35 -2.47 0.00 0.00 174.74 170.89 2e47 h PRO 136 N 2.70 0.00 -0.00 2.88 0.11 -2.04 -2.45 132.00 133.19 2e47 h PRO 136 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2e47 h PRO 136 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2e47 h PRO 136 CO 0.63 0.00 -0.06 -0.25 -0.21 0.00 0.00 178.00 178.11 2e47 n ASP 137 N -4.47 0.23 -0.10 -2.05 10.43 -1.26 -4.61 116.55 114.73 2e47 n ASP 137 Ca 0.02 -0.41 -0.06 0.00 2.57 0.00 0.00 54.79 56.92 2e47 n ASP 137 Cb 0.31 -0.16 0.01 0.00 1.84 0.00 0.00 41.12 43.12 2e47 n ASP 137 CO 0.00 0.00 0.00 -1.28 -1.07 0.00 0.00 177.20 174.85 2e47 h SER 138 N 0.28 0.09 -0.00 -2.24 0.87 -1.76 0.14 113.55 110.93 2e47 h SER 138 Ca 0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2e47 h SER 138 Cb 0.31 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2e47 h SER 138 CO 0.00 0.09 0.00 0.54 -0.53 0.00 0.00 176.83 176.93 2e47 n ARG 139 N -5.04 1.12 -0.08 2.24 5.12 -1.26 -1.06 116.66 117.69 2e47 n ARG 139 Ca 0.01 -0.17 -0.15 0.00 -1.93 0.00 0.00 57.85 55.61 2e47 n ARG 139 Cb 0.13 -1.49 -0.06 0.00 -1.16 0.00 0.00 32.46 29.88 2e47 n ARG 139 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2e47 n LYS 140 N -0.79 0.36 0.00 5.56 5.02 -0.66 -0.64 118.16 127.02 2e47 n LYS 140 Ca 0.23 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 2e47 n LYS 140 Cb 0.15 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 2e47 n LYS 140 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2e47 n THR 141 N -3.38 0.00 -0.98 -0.18 -2.24 0.41 -4.67 114.28 103.24 2e47 n THR 141 Ca -0.30 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 2e47 n THR 141 Cb 0.76 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 70.01 2e47 n THR 141 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2e47 n GLY 142 N 0.66 0.54 3.79 3.38 0.00 -0.22 -3.55 105.19 109.79 2e47 n GLY 142 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2e47 n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2e47 n ASN 143 N -0.12 -3.29 -0.20 1.61 4.05 -1.26 -0.32 115.26 115.74 2e47 n ASN 143 Ca 0.00 -0.78 0.13 0.00 0.45 0.00 0.00 54.58 54.38 2e47 n ASN 143 Cb 0.06 -4.06 0.37 0.00 1.23 0.00 0.00 39.78 37.37 2e47 n ASN 143 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2e47 n ALA 144 N -4.52 3.14 0.00 5.20 0.00 -1.23 -4.74 120.51 118.35 2e47 n ALA 144 Ca -0.11 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2e47 n ALA 144 Cb 0.60 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.91 2e47 n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2e47 n GLY 145 N 1.36 -1.04 3.63 0.00 0.00 -1.26 -0.89 105.19 106.98 2e47 n GLY 145 Ca 0.11 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.46 2e47 n GLY 145 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2e47 s GLY 146 N 0.00 1.57 -0.28 -0.02 0.00 -1.26 -4.67 107.32 102.66 2e47 s GLY 146 Ca 0.00 -0.66 -0.05 0.00 0.00 0.00 0.00 44.72 44.00 2e47 s GLY 146 CO 0.00 0.10 0.04 0.50 0.00 0.00 0.00 173.10 173.74 2e47 s ARG 147 N -5.17 3.02 0.03 2.90 0.52 -1.26 -0.64 118.95 118.35 2e47 s ARG 147 Ca 0.68 -0.89 0.17 0.00 -0.52 0.00 0.00 55.73 55.17 2e47 s ARG 147 Cb -0.14 -3.27 -0.16 0.00 0.52 0.00 0.00 34.95 31.90 2e47 s ARG 147 CO 0.57 -0.43 0.74 1.33 0.02 0.00 0.00 175.30 177.53 2e47 n VAL 148 N 4.81 1.13 -3.48 3.52 0.24 0.14 -4.91 118.33 119.78 2e47 n VAL 148 Ca -0.15 -0.69 -0.13 0.00 -2.04 0.00 0.00 64.34 61.32 2e47 n VAL 148 Cb 0.48 -0.67 -0.04 0.00 -1.47 0.00 0.00 33.84 32.14 2e47 n VAL 148 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2e47 s ALA 149 N -2.92 -1.72 0.08 2.33 0.00 -1.08 -5.00 121.76 113.45 2e47 s ALA 149 Ca -0.04 0.96 -0.11 0.00 0.00 0.00 0.00 51.96 52.77 2e47 s ALA 149 Cb 0.09 0.36 0.01 0.00 0.00 0.00 0.00 23.12 23.57 2e47 s ALA 149 CO 0.82 -0.58 0.25 0.00 0.00 0.00 0.00 175.76 176.25 2e47 s GLY 151 N -2.62 -0.19 0.25 0.00 0.00 -0.61 -4.65 107.32 99.50 2e47 s GLY 151 Ca 0.02 0.61 -0.30 0.00 0.00 0.00 0.00 44.72 45.05 2e47 s GLY 151 CO -0.09 0.45 1.25 0.14 0.00 0.00 0.00 173.10 174.85 2e47 s VAL 152 N -0.55 3.16 -0.47 1.40 1.01 -1.26 -1.15 120.40 122.55 2e47 s VAL 152 Ca -0.07 1.06 -0.28 0.00 0.00 0.00 0.00 61.98 62.69 2e47 s VAL 152 Cb -0.04 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.70 2e47 s VAL 152 CO 0.02 0.21 1.09 -0.63 0.00 0.00 0.00 175.10 175.78 2e47 s ILE 153 N -0.53 4.28 0.29 2.22 1.01 0.18 -4.37 121.20 124.29 2e47 s ILE 153 Ca 0.51 1.14 0.07 0.00 0.00 0.00 0.00 60.65 62.37 2e47 s ILE 153 Cb -0.36 -4.56 -0.03 0.00 0.01 0.00 0.00 42.46 37.52 2e47 s ILE 153 CO 0.43 -0.95 0.26 -0.83 0.00 0.00 0.00 174.94 173.85 2e47 s GLY 154 N 2.38 1.58 -0.07 6.18 0.00 0.13 -0.87 107.32 116.65 2e47 s GLY 154 Ca 0.45 -1.52 -0.30 0.00 0.00 0.00 0.00 44.72 43.35 2e47 s GLY 154 CO 0.30 -1.50 1.39 -0.42 0.00 0.00 0.00 173.10 172.87 2e47 s ILE 155 N -2.21 3.93 -2.97 0.90 1.01 -1.26 -1.02 121.20 119.58 2e47 s ILE 155 Ca 0.37 1.21 0.24 0.00 0.00 0.00 0.00 60.65 62.47 2e47 s ILE 155 Cb -0.07 -3.78 0.21 0.00 0.01 0.00 0.00 42.46 38.83 2e47 s ILE 155 CO 0.26 -0.06 1.29 -0.11 0.00 0.00 0.00 174.94 176.32