#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1za1 n HIS 3 N 0.00 4.32 -4.27 -1.42 -0.00 -1.25 -5.02 115.22 107.58 1za1 n HIS 3 Ca 0.00 -3.60 -0.26 0.00 0.46 0.00 0.00 57.72 54.33 1za1 n HIS 3 Cb 0.00 -1.49 -0.08 0.00 -0.12 0.00 0.00 29.99 28.30 1za1 n HIS 3 CO 0.00 0.00 0.00 0.16 0.46 0.00 0.00 176.34 176.96 1za1 s ASP 4 N 0.21 4.46 0.12 0.26 -4.77 -1.26 -4.63 116.67 111.06 1za1 s ASP 4 Ca 0.31 -0.55 0.00 0.00 -3.30 0.00 0.00 52.55 49.01 1za1 s ASP 4 Cb -0.05 -0.83 0.00 0.00 -1.09 0.00 0.00 42.92 40.95 1za1 s ASP 4 CO -0.03 0.07 0.00 0.59 0.70 0.00 0.00 175.17 176.50 1za1 n ASN 5 N -0.23 -0.07 -0.61 2.11 4.13 -1.26 -5.02 115.26 114.31 1za1 n ASN 5 Ca -0.09 0.20 -0.02 0.00 1.68 0.00 0.00 54.58 56.35 1za1 n ASN 5 Cb 0.56 0.17 -0.02 0.00 -1.54 0.00 0.00 39.78 38.95 1za1 n ASN 5 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1za1 n LYS 6 N -2.91 0.00 0.00 3.52 2.85 -1.26 -5.16 118.16 115.21 1za1 n LYS 6 Ca 0.00 -0.28 0.00 0.00 -1.05 0.00 0.00 58.31 56.98 1za1 n LYS 6 Cb 0.01 0.46 0.00 0.00 -0.65 0.00 0.00 35.03 34.84 1za1 n LYS 6 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1za1 n LEU 7 N 0.00 0.00 -4.75 -5.58 4.77 -1.26 -5.15 117.00 105.03 1za1 n LEU 7 Ca -0.08 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.49 1za1 n LEU 7 Cb 0.37 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 1za1 n LEU 7 CO -0.04 0.00 0.95 -1.10 -1.33 0.00 0.00 177.39 175.87 1za1 s GLN 8 N 4.63 4.42 0.01 3.23 -0.21 -1.26 -4.98 119.66 125.50 1za1 s GLN 8 Ca 0.00 2.06 0.00 0.00 0.02 0.00 0.00 55.36 57.44 1za1 s GLN 8 Cb 0.00 -3.16 -0.01 0.00 1.00 0.00 0.00 33.01 30.84 1za1 s GLN 8 CO 0.00 -0.15 -0.02 0.14 -2.12 0.00 0.00 175.29 173.13 1za1 s VAL 9 N -0.48 0.12 0.27 1.09 -7.23 -1.26 -4.86 120.40 108.04 1za1 s VAL 9 Ca 0.52 -0.53 0.10 0.00 -1.81 0.00 0.00 61.98 60.26 1za1 s VAL 9 Cb -0.37 -0.20 -0.04 0.00 0.56 0.00 0.00 36.38 36.33 1za1 s VAL 9 CO 0.43 -0.26 -0.05 -1.83 -0.31 0.00 0.00 175.10 173.08 1za1 s GLU 10 N -0.82 2.15 0.10 4.82 4.04 -1.26 -4.52 118.70 123.21 1za1 s GLU 10 Ca -0.08 -1.49 -0.22 0.00 0.04 0.00 0.00 54.97 53.22 1za1 s GLU 10 Cb -0.06 -2.07 0.06 0.00 0.02 0.00 0.00 34.13 32.08 1za1 s GLU 10 CO -0.00 0.36 0.53 0.00 -1.84 0.00 0.00 175.26 174.30 1za1 s ALA 11 N -2.35 -1.35 0.06 -0.84 0.00 -1.26 -1.72 121.76 114.29 1za1 s ALA 11 Ca 0.31 0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.75 1za1 s ALA 11 Cb -0.06 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 1za1 s ALA 11 CO 0.19 -0.62 0.06 0.96 0.00 0.00 0.00 175.76 176.35 1za1 s ILE 12 N -3.12 4.43 -0.00 0.00 -0.00 -1.26 -5.05 121.20 116.20 1za1 s ILE 12 Ca -0.02 -0.73 -0.13 0.00 -0.00 0.00 0.00 60.65 59.77 1za1 s ILE 12 Cb -0.00 -3.10 -0.07 0.00 -0.00 0.00 0.00 42.46 39.29 1za1 s ILE 12 CO -0.07 0.19 0.80 0.11 -0.00 0.00 0.00 174.94 175.96 1za1 h LYS 13 N 3.55 -0.44 -4.75 0.37 1.57 -1.97 -3.41 116.57 111.48 1za1 h LYS 13 Ca -0.47 0.03 -0.28 0.00 -1.87 0.00 0.00 60.65 58.06 1za1 h LYS 13 Cb 1.17 0.10 -0.18 0.00 0.08 0.00 0.00 32.23 33.39 1za1 h LYS 13 CO 0.63 -0.30 -0.73 0.50 -0.57 0.00 0.00 179.45 178.99 1za1 s ARG 14 N -3.34 0.73 0.00 3.15 3.52 -1.22 -2.39 118.95 119.40 1za1 s ARG 14 Ca -0.07 -1.06 0.00 0.00 -0.13 0.00 0.00 55.73 54.48 1za1 s ARG 14 Cb 0.01 -0.37 0.00 0.00 -1.56 0.00 0.00 34.95 33.03 1za1 s ARG 14 CO 0.20 0.05 0.00 0.41 -0.81 0.00 0.00 175.30 175.15 1za1 n GLY 15 N 0.74 0.95 3.95 8.12 0.00 -1.11 -0.58 105.19 117.26 1za1 n GLY 15 Ca -0.18 -2.03 -0.19 0.00 0.00 0.00 0.00 46.02 43.61 1za1 n GLY 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1za1 s THR 16 N -1.13 3.77 -0.25 2.61 -4.23 0.51 0.33 115.64 117.26 1za1 s THR 16 Ca 0.00 -1.12 -0.02 0.00 -1.18 0.00 0.00 61.69 59.37 1za1 s THR 16 Cb 0.00 -3.29 0.12 0.00 1.34 0.00 0.00 72.50 70.66 1za1 s THR 16 CO 0.00 -0.14 0.28 -0.69 -0.54 0.00 0.00 174.62 173.53 1za1 s VAL 17 N -2.24 -0.40 -0.14 2.29 1.01 0.32 -0.42 120.40 120.82 1za1 s VAL 17 Ca 0.45 -0.27 -0.25 0.00 0.00 0.00 0.00 61.98 61.91 1za1 s VAL 17 Cb -0.08 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 1za1 s VAL 17 CO 0.30 -0.31 0.81 -0.63 0.00 0.00 0.00 175.10 175.27 1za1 s ILE 18 N 2.38 4.92 0.34 2.22 1.01 -1.14 0.46 121.20 131.39 1za1 s ILE 18 Ca 0.09 1.60 0.09 0.00 0.00 0.00 0.00 60.65 62.43 1za1 s ILE 18 Cb -0.15 -4.12 -0.06 0.00 0.01 0.00 0.00 42.46 38.14 1za1 s ILE 18 CO -0.22 0.08 -0.01 -1.81 0.00 0.00 0.00 174.94 172.99 1za1 s ASP 19 N 1.08 4.08 -1.16 3.58 1.11 0.11 -1.26 116.67 124.21 1za1 s ASP 19 Ca 0.39 -1.05 -0.26 0.00 0.18 0.00 0.00 52.55 51.80 1za1 s ASP 19 Cb -0.17 -0.49 0.01 0.00 1.07 0.00 0.00 42.92 43.35 1za1 s ASP 19 CO 0.14 -0.24 0.75 1.41 1.18 0.00 0.00 175.17 178.41 1za1 n HIS 20 N -0.92 -1.71 -3.28 4.23 8.25 -1.24 -3.19 115.22 117.35 1za1 n HIS 20 Ca -0.04 0.30 -0.38 0.00 -0.26 0.00 0.00 57.72 57.34 1za1 n HIS 20 Cb 0.63 -3.18 -0.06 0.00 1.12 0.00 0.00 29.99 28.50 1za1 n HIS 20 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1za1 s ILE 21 N -3.48 4.98 0.44 1.59 -1.09 -0.90 -4.47 121.20 118.28 1za1 s ILE 21 Ca 0.48 1.11 -0.07 0.00 -2.23 0.00 0.00 60.65 59.94 1za1 s ILE 21 Cb -0.21 -3.87 0.11 0.00 -1.58 0.00 0.00 42.46 36.92 1za1 s ILE 21 CO 0.90 0.43 0.26 -0.81 -1.23 0.00 0.00 174.94 174.50 1za1 n PRO 22 N 2.74 -2.83 -1.66 2.79 -0.04 -1.26 0.18 135.00 134.92 1za1 n PRO 22 Ca -0.08 -0.44 -0.46 0.00 -0.04 0.00 0.00 63.50 62.48 1za1 n PRO 22 Cb 0.51 -0.57 -0.04 0.00 -0.04 0.00 0.00 33.50 33.37 1za1 n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1za1 n ALA 23 N -3.84 1.17 -3.56 0.55 0.00 -1.26 -3.29 120.51 110.28 1za1 n ALA 23 Ca -0.06 0.44 -0.17 0.00 0.00 0.00 0.00 53.44 53.65 1za1 n ALA 23 Cb 0.18 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.29 1za1 n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1za1 n GLN 24 N 3.05 -0.85 0.00 0.00 6.02 -1.26 -4.67 117.38 119.67 1za1 n GLN 24 Ca 0.16 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1za1 n GLN 24 Cb 0.29 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.30 1za1 n GLN 24 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1za1 n ILE 25 N -2.73 0.00 0.17 5.09 2.08 -1.21 -4.53 119.36 118.23 1za1 n ILE 25 Ca -0.11 -0.32 -0.14 0.00 0.56 0.00 0.00 62.75 62.73 1za1 n ILE 25 Cb 0.30 0.83 -0.08 0.00 -0.75 0.00 0.00 39.64 39.93 1za1 n ILE 25 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1za1 h GLY 26 N 0.00 -0.41 0.93 7.39 0.00 -1.83 0.17 103.07 109.32 1za1 h GLY 26 Ca 0.00 0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.50 1za1 h GLY 26 CO 0.00 -0.15 0.24 -2.75 0.00 0.00 0.00 176.54 173.88 1za1 h PHE 27 N -0.53 0.45 -0.97 5.60 3.57 -1.96 -1.62 116.94 121.47 1za1 h PHE 27 Ca -0.04 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.54 1za1 h PHE 27 Cb 0.40 -0.15 -0.07 0.00 2.79 0.00 0.00 35.95 38.92 1za1 h PHE 27 CO -0.02 0.27 0.62 -0.22 -2.23 0.00 0.00 178.31 176.73 1za1 h LYS 28 N 0.49 1.08 -0.10 1.11 3.64 -1.75 0.93 116.57 121.97 1za1 h LYS 28 Ca 0.15 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 1za1 h LYS 28 Cb -0.01 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 1za1 h LYS 28 CO -0.06 0.71 -0.46 -0.07 -2.27 0.00 0.00 179.45 177.30 1za1 h LEU 29 N 1.11 0.25 -0.56 5.20 3.38 -0.09 0.34 115.31 124.94 1za1 h LEU 29 Ca 0.43 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 1za1 h LEU 29 Cb 0.20 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1za1 h LEU 29 CO -0.18 0.68 -0.01 -0.07 0.09 0.00 0.00 178.44 178.94 1za1 h LEU 30 N 0.19 0.00 0.01 1.67 3.38 -0.62 -2.50 115.31 117.44 1za1 h LEU 30 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1za1 h LEU 30 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1za1 h LEU 30 CO 0.07 0.01 -0.01 0.28 0.09 0.00 0.00 178.44 178.89 1za1 h SER 31 N 0.00 -0.02 0.26 -0.43 0.02 0.40 -3.11 113.55 110.67 1za1 h SER 31 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1za1 h SER 31 Cb 0.82 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.34 1za1 h SER 31 CO 0.00 0.15 -0.47 -0.07 -1.14 0.00 0.00 176.83 175.30 1za1 h LEU 32 N -0.34 -1.35 -0.83 5.07 3.38 -0.47 -2.97 115.31 117.81 1za1 h LEU 32 Ca -0.00 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1za1 h LEU 32 Cb 0.01 0.48 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1za1 h LEU 32 CO 0.00 -0.55 0.00 0.49 0.09 0.00 0.00 178.44 178.48 1za1 n PHE 33 N -5.17 0.26 -3.49 1.13 3.72 -0.94 -4.92 117.46 108.05 1za1 n PHE 33 Ca -0.09 -0.11 -0.23 0.00 -0.05 0.00 0.00 57.45 56.97 1za1 n PHE 33 Cb 0.39 -0.05 -0.03 0.00 -0.94 0.00 0.00 39.48 38.85 1za1 n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1za1 n LYS 34 N -0.01 -2.32 0.04 -1.08 5.02 -1.12 -4.78 118.16 113.91 1za1 n LYS 34 Ca 0.05 0.21 0.02 0.00 -2.02 0.00 0.00 58.31 56.57 1za1 n LYS 34 Cb 0.22 -4.81 0.09 0.00 -0.02 0.00 0.00 35.03 30.51 1za1 n LYS 34 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1za1 n LEU 35 N -3.45 0.09 -0.47 -0.35 4.77 -1.21 -0.13 117.00 116.25 1za1 n LEU 35 Ca 0.03 0.35 0.04 0.00 -0.03 0.00 0.00 56.01 56.40 1za1 n LEU 35 Cb 0.50 -0.33 0.10 0.00 -2.33 0.00 0.00 43.42 41.36 1za1 n LEU 35 CO 0.51 -0.38 0.57 0.35 -1.33 0.00 0.00 177.39 177.11 1za1 n THR 36 N -1.48 0.84 0.22 -5.08 -2.24 -1.26 -4.44 114.28 100.85 1za1 n THR 36 Ca -0.00 -0.92 0.10 0.00 -2.27 0.00 0.00 64.05 60.95 1za1 n THR 36 Cb 0.26 0.61 0.49 0.00 -2.10 0.00 0.00 70.33 69.59 1za1 n THR 36 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1za1 h GLU 37 N 1.58 0.00 -6.31 -0.78 4.57 -0.88 -3.43 114.58 109.33 1za1 h GLU 37 Ca 0.00 0.00 -0.55 0.00 -1.18 0.00 0.00 59.36 57.63 1za1 h GLU 37 Cb 0.63 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.20 1za1 h GLU 37 CO 0.00 0.23 0.80 0.95 -1.18 0.00 0.00 179.01 179.81 1za1 s THR 38 N -3.77 4.01 -0.56 0.32 -4.23 -1.26 -4.94 115.64 105.22 1za1 s THR 38 Ca -0.00 1.35 -0.05 0.00 -1.18 0.00 0.00 61.69 61.80 1za1 s THR 38 Cb 0.11 -3.87 -0.05 0.00 1.34 0.00 0.00 72.50 70.03 1za1 s THR 38 CO 0.64 -0.02 3.01 -0.90 -0.54 0.00 0.00 174.62 176.81 1za1 n ASP 39 N 5.53 6.54 -4.89 3.99 5.68 -1.26 -4.86 116.55 127.29 1za1 n ASP 39 Ca 0.12 -2.90 -0.24 0.00 -0.50 0.00 0.00 54.79 51.27 1za1 n ASP 39 Cb 0.45 -1.34 -0.02 0.00 -1.14 0.00 0.00 41.12 39.07 1za1 n ASP 39 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1za1 s GLN 40 N -0.37 2.33 -0.96 0.11 -1.52 -1.26 -5.02 119.66 112.97 1za1 s GLN 40 Ca 0.62 -1.85 -0.24 0.00 -1.95 0.00 0.00 55.36 51.94 1za1 s GLN 40 Cb 0.31 -2.19 0.02 0.00 -0.22 0.00 0.00 33.01 30.93 1za1 s GLN 40 CO -0.12 -0.47 1.57 0.50 -0.25 0.00 0.00 175.29 176.52 1za1 s ARG 41 N -4.22 3.29 0.12 2.91 3.52 -1.26 -4.81 118.95 118.49 1za1 s ARG 41 Ca 0.40 -0.81 -0.09 0.00 -0.13 0.00 0.00 55.73 55.10 1za1 s ARG 41 Cb -0.02 -5.17 -0.06 0.00 -1.56 0.00 0.00 34.95 28.14 1za1 s ARG 41 CO 0.24 -2.50 0.43 0.42 -0.81 0.00 0.00 175.30 173.08 1za1 s ILE 42 N 6.36 5.07 -0.07 4.11 1.01 -1.26 -2.97 121.20 133.46 1za1 s ILE 42 Ca 0.51 0.39 -0.03 0.00 0.00 0.00 0.00 60.65 61.52 1za1 s ILE 42 Cb -0.03 -3.64 0.04 0.00 0.01 0.00 0.00 42.46 38.84 1za1 s ILE 42 CO -0.05 0.17 0.14 -0.89 0.00 0.00 0.00 174.94 174.32 1za1 s THR 43 N -1.53 -0.07 0.09 2.92 2.01 -0.48 -5.02 115.64 113.57 1za1 s THR 43 Ca 0.37 0.20 0.10 0.00 0.31 0.00 0.00 61.69 62.67 1za1 s THR 43 Cb -0.13 -0.24 -0.03 0.00 0.01 0.00 0.00 72.50 72.10 1za1 s THR 43 CO 0.20 0.08 -0.26 -0.63 -0.69 0.00 0.00 174.62 173.32 1za1 s ILE 44 N 1.29 2.16 -0.06 1.82 1.09 -1.26 -2.32 121.20 123.92 1za1 s ILE 44 Ca -0.08 -1.58 0.02 0.00 -1.10 0.00 0.00 60.65 57.91 1za1 s ILE 44 Cb -0.12 -1.89 0.02 0.00 -1.06 0.00 0.00 42.46 39.41 1za1 s ILE 44 CO -0.06 0.20 -0.09 -0.83 -0.10 0.00 0.00 174.94 174.06 1za1 s GLY 45 N -1.69 0.65 0.02 6.18 0.00 0.58 -4.98 107.32 108.07 1za1 s GLY 45 Ca 0.12 -0.26 0.05 0.00 0.00 0.00 0.00 44.72 44.63 1za1 s GLY 45 CO 0.04 0.23 -0.15 1.08 0.00 0.00 0.00 173.10 174.30 1za1 s LEU 46 N 0.74 2.13 -2.04 0.66 1.43 -1.26 0.44 118.68 120.78 1za1 s LEU 46 Ca -0.13 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 1za1 s LEU 46 Cb -0.15 -0.72 0.00 0.00 0.03 0.00 0.00 46.19 45.35 1za1 s LEU 46 CO 0.02 0.10 0.00 0.59 0.23 0.00 0.00 176.35 177.29 1za1 n ASN 47 N 2.14 -5.32 -4.58 2.29 3.02 -0.72 -4.92 115.26 107.16 1za1 n ASN 47 Ca -0.17 0.41 -0.34 0.00 -0.03 0.00 0.00 54.58 54.45 1za1 n ASN 47 Cb 0.55 -4.67 0.11 0.00 -0.61 0.00 0.00 39.78 35.15 1za1 n ASN 47 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1za1 n LEU 48 N -2.44 2.71 -4.48 3.41 4.77 0.16 -4.54 117.00 116.60 1za1 n LEU 48 Ca -0.21 0.56 -0.43 0.00 -0.03 0.00 0.00 56.01 55.90 1za1 n LEU 48 Cb 0.66 -1.38 -0.03 0.00 -2.33 0.00 0.00 43.42 40.34 1za1 n LEU 48 CO 0.30 -2.39 0.98 -2.16 -1.33 0.00 0.00 177.39 172.79 1za1 s PRO 49 N -3.60 3.35 0.15 3.23 0.04 -1.26 -2.35 135.00 134.55 1za1 s PRO 49 Ca 0.69 -1.11 0.11 0.00 0.04 0.00 0.00 61.00 60.73 1za1 s PRO 49 Cb -0.30 -4.61 -0.12 0.00 0.04 0.00 0.00 34.50 29.51 1za1 s PRO 49 CO 0.55 -1.90 1.24 1.03 0.04 0.00 0.00 177.00 177.96 1za1 h SER 50 N 9.42 0.00 0.00 6.66 0.87 -1.84 -3.47 113.55 125.19 1za1 h SER 50 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1za1 h SER 50 Cb 1.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 1za1 h SER 50 CO 1.21 0.80 0.00 0.61 -0.53 0.00 0.00 176.83 178.92 1za1 n GLY 51 N 1.33 1.16 1.11 5.77 0.00 -1.26 -4.51 105.19 108.79 1za1 n GLY 51 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1za1 n GLY 51 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1za1 n GLU 52 N 0.00 0.93 0.00 1.61 0.28 -1.26 -3.91 120.64 118.30 1za1 n GLU 52 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1za1 n GLU 52 Cb 0.00 -1.03 0.00 0.00 1.43 0.00 0.00 31.44 31.84 1za1 n GLU 52 CO 0.00 0.00 0.00 -0.12 -0.16 0.00 0.00 177.13 176.85 1za1 n MET 53 N 0.73 0.00 0.00 3.44 0.00 -1.26 -5.03 117.12 115.00 1za1 n MET 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1za1 n MET 53 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.69 1za1 n MET 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1za1 n GLY 54 N 0.00 3.92 3.20 -5.12 0.00 -1.25 -5.00 105.19 100.94 1za1 n GLY 54 Ca 0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 45.08 1za1 n GLY 54 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1za1 s ARG 55 N 0.00 0.84 0.00 1.61 1.70 -1.24 -3.13 118.95 118.73 1za1 s ARG 55 Ca 0.00 -1.01 0.00 0.00 -0.47 0.00 0.00 55.73 54.25 1za1 s ARG 55 Cb 0.00 0.33 0.00 0.00 -0.57 0.00 0.00 34.95 34.71 1za1 s ARG 55 CO 0.00 -0.26 0.00 0.36 -1.08 0.00 0.00 175.30 174.32 1za1 n LYS 56 N -0.05 0.00 -3.97 3.89 2.85 -0.99 -4.75 118.16 115.14 1za1 n LYS 56 Ca -0.14 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 56.88 1za1 n LYS 56 Cb 0.62 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.94 1za1 n LYS 56 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1za1 s ASP 57 N 0.00 4.60 -0.26 -5.58 1.01 0.13 -0.66 116.67 115.90 1za1 s ASP 57 Ca 0.00 -1.00 -0.25 0.00 0.71 0.00 0.00 52.55 52.00 1za1 s ASP 57 Cb 0.00 -0.46 0.09 0.00 1.01 0.00 0.00 42.92 43.56 1za1 s ASP 57 CO 0.00 -0.60 0.83 -0.22 0.21 0.00 0.00 175.17 175.39 1za1 s LEU 58 N -3.98 -0.64 0.44 1.23 0.20 0.17 -2.11 118.68 114.00 1za1 s LEU 58 Ca 0.42 1.20 0.03 0.00 0.69 0.00 0.00 54.13 56.47 1za1 s LEU 58 Cb 0.02 2.27 -0.03 0.00 -0.43 0.00 0.00 46.19 48.02 1za1 s LEU 58 CO 0.24 -0.24 0.06 -0.63 -0.29 0.00 0.00 176.35 175.49 1za1 s ILE 59 N 0.22 0.99 -0.30 6.68 -1.09 -0.39 -0.31 121.20 127.00 1za1 s ILE 59 Ca 0.00 -2.00 -0.17 0.00 -2.23 0.00 0.00 60.65 56.25 1za1 s ILE 59 Cb -0.05 -2.36 0.19 0.00 -1.58 0.00 0.00 42.46 38.66 1za1 s ILE 59 CO -0.01 0.00 1.17 -1.59 -1.23 0.00 0.00 174.94 173.28 1za1 s LYS 60 N -3.79 0.14 -0.02 2.79 -2.85 -0.98 -2.89 119.74 112.14 1za1 s LYS 60 Ca 0.18 0.30 0.05 0.00 -1.00 0.00 0.00 55.97 55.50 1za1 s LYS 60 Cb 0.03 0.12 -0.03 0.00 -2.06 0.00 0.00 37.83 35.90 1za1 s LYS 60 CO 0.10 -0.04 -0.15 0.42 0.10 0.00 0.00 175.35 175.79 1za1 s ILE 61 N 1.75 3.04 -0.13 3.79 -1.09 0.44 -1.38 121.20 127.61 1za1 s ILE 61 Ca -0.04 -0.85 -0.11 0.00 -2.23 0.00 0.00 60.65 57.42 1za1 s ILE 61 Cb -0.03 -2.22 -0.05 0.00 -1.58 0.00 0.00 42.46 38.58 1za1 s ILE 61 CO -0.14 0.51 0.24 -1.61 -1.23 0.00 0.00 174.94 172.70 1za1 s GLU 62 N -0.98 3.98 -1.41 2.79 2.02 -1.16 -0.36 118.70 123.58 1za1 s GLU 62 Ca 0.13 0.02 -0.02 0.00 0.02 0.00 0.00 54.97 55.12 1za1 s GLU 62 Cb -0.11 -3.33 0.00 0.00 0.10 0.00 0.00 34.13 30.79 1za1 s GLU 62 CO 0.02 0.46 0.26 0.09 0.02 0.00 0.00 175.26 176.12 1za1 n ASN 63 N 2.89 -5.29 -3.85 -0.19 5.03 0.26 -4.44 115.26 109.65 1za1 n ASN 63 Ca -0.15 -0.13 -0.12 0.00 0.87 0.00 0.00 54.58 55.04 1za1 n ASN 63 Cb 0.53 -4.25 -0.14 0.00 -1.02 0.00 0.00 39.78 34.90 1za1 n ASN 63 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1za1 s THR 64 N -2.98 -0.00 0.08 3.41 2.01 -1.26 -4.94 115.64 111.95 1za1 s THR 64 Ca 0.13 0.02 0.06 0.00 0.31 0.00 0.00 61.69 62.21 1za1 s THR 64 Cb -0.06 -0.05 -0.03 0.00 0.01 0.00 0.00 72.50 72.37 1za1 s THR 64 CO 0.16 0.01 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.57 1za1 s PHE 65 N 0.11 1.44 -0.13 4.92 0.08 -1.26 -0.52 117.98 122.62 1za1 s PHE 65 Ca -0.01 -0.43 -0.00 0.00 0.12 0.00 0.00 56.93 56.61 1za1 s PHE 65 Cb -0.01 -0.81 -0.01 0.00 -0.57 0.00 0.00 43.02 41.61 1za1 s PHE 65 CO -0.00 0.11 -0.13 -0.51 -0.10 0.00 0.00 175.22 174.58 1za1 s LEU 66 N -1.69 2.72 0.69 -0.37 1.43 -1.26 -5.03 118.68 115.16 1za1 s LEU 66 Ca 0.02 -0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 52.66 1za1 s LEU 66 Cb -0.10 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.53 1za1 s LEU 66 CO 0.03 0.17 1.08 -0.94 0.23 0.00 0.00 176.35 176.92 1za1 s SER 67 N 0.33 5.11 0.61 2.29 1.04 -1.26 -4.85 113.70 116.97 1za1 s SER 67 Ca -0.11 1.83 0.37 0.00 0.48 0.00 0.00 55.95 58.52 1za1 s SER 67 Cb -0.16 -2.53 2.00 0.00 0.10 0.00 0.00 66.02 65.43 1za1 s SER 67 CO 0.06 -1.63 2.12 1.05 0.98 0.00 0.00 173.24 175.82 1za1 h GLU 68 N -0.41 0.00 0.23 4.02 9.09 -1.98 -2.32 114.58 123.21 1za1 h GLU 68 Ca -0.45 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 58.95 1za1 h GLU 68 Cb 1.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.33 1za1 h GLU 68 CO 0.54 0.00 -0.11 -0.44 0.05 0.00 0.00 179.01 179.05 1za1 h ASP 69 N 0.00 -0.26 -0.91 3.06 3.32 -1.99 -3.20 116.42 116.44 1za1 h ASP 69 Ca 0.00 0.01 0.24 0.00 0.02 0.00 0.00 57.03 57.30 1za1 h ASP 69 Cb 0.22 0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 1za1 h ASP 69 CO 0.00 -0.02 0.63 1.56 -1.72 0.00 0.00 179.24 179.69 1za1 h GLN 70 N -0.66 0.19 0.00 3.56 4.20 -1.84 0.87 115.11 121.43 1za1 h GLN 70 Ca -0.03 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1za1 h GLN 70 Cb 0.24 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1za1 h GLN 70 CO 0.05 0.13 0.00 0.28 -0.67 0.00 0.00 178.83 178.62 1za1 n VAL 71 N -4.40 1.04 0.05 -0.54 0.31 -0.90 -2.97 118.33 110.92 1za1 n VAL 71 Ca 0.19 0.27 -0.18 0.00 -0.01 0.00 0.00 64.34 64.61 1za1 n VAL 71 Cb 0.85 -1.06 -0.14 0.00 -0.91 0.00 0.00 33.84 32.58 1za1 n VAL 71 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1za1 h ASP 72 N 0.00 0.41 0.00 4.52 3.32 0.78 -3.33 116.42 122.13 1za1 h ASP 72 Ca 0.00 -0.66 0.00 0.00 0.02 0.00 0.00 57.03 56.39 1za1 h ASP 72 Cb 0.25 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1za1 h ASP 72 CO 0.00 1.56 0.07 0.00 -1.72 0.00 0.00 179.24 179.15 1za1 n GLN 73 N -3.45 0.02 0.00 3.56 1.13 -1.16 -1.78 117.38 115.70 1za1 n GLN 73 Ca -0.21 0.47 0.14 0.00 -1.94 0.00 0.00 57.00 55.46 1za1 n GLN 73 Cb 1.05 -1.63 0.61 0.00 0.11 0.00 0.00 30.24 30.38 1za1 n GLN 73 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1za1 n LEU 74 N -1.55 0.61 0.18 1.08 4.77 -1.25 -4.26 117.00 116.58 1za1 n LEU 74 Ca -0.00 -0.09 0.03 0.00 -0.03 0.00 0.00 56.01 55.93 1za1 n LEU 74 Cb 0.07 -0.13 0.35 0.00 -2.33 0.00 0.00 43.42 41.38 1za1 n LEU 74 CO 0.01 0.11 0.69 0.00 -1.33 0.00 0.00 177.39 176.88 1za1 h ALA 75 N 3.75 1.21 -0.06 -1.18 0.00 -1.56 -2.11 119.26 119.32 1za1 h ALA 75 Ca 0.00 -0.36 -0.21 0.00 0.00 0.00 0.00 54.91 54.34 1za1 h ALA 75 Cb 0.35 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1za1 h ALA 75 CO 0.00 0.50 -0.81 -0.07 0.00 0.00 0.00 179.25 178.86 1za1 h LEU 76 N 0.00 0.58 0.04 0.00 3.38 -1.84 -3.09 115.31 114.38 1za1 h LEU 76 Ca -0.00 -0.41 -0.36 0.00 0.09 0.00 0.00 57.88 57.20 1za1 h LEU 76 Cb 0.77 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 1za1 h LEU 76 CO 0.05 1.18 -2.19 -1.22 0.09 0.00 0.00 178.44 176.35 1za1 n TYR 77 N -3.82 0.54 -3.41 1.13 4.02 -1.24 -4.77 117.16 109.60 1za1 n TYR 77 Ca -0.06 0.14 -0.27 0.00 -0.01 0.00 0.00 57.90 57.70 1za1 n TYR 77 Cb 0.76 -1.08 -0.10 0.00 -0.02 0.00 0.00 39.34 38.90 1za1 n TYR 77 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1za1 n ALA 78 N -2.95 2.88 -0.14 -0.72 0.00 -0.79 -4.88 120.51 113.91 1za1 n ALA 78 Ca -0.34 -3.21 0.00 0.00 0.00 0.00 0.00 53.44 49.89 1za1 n ALA 78 Cb 1.05 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.73 1za1 n ALA 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1za1 n PRO 79 N 2.71 0.00 -3.07 0.00 -0.04 -1.17 -4.40 135.00 129.03 1za1 n PRO 79 Ca 0.29 0.74 -0.40 0.00 -0.04 0.00 0.00 63.50 64.08 1za1 n PRO 79 Cb 0.47 -1.43 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 1za1 n PRO 79 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1za1 s GLN 80 N -2.72 4.28 0.00 0.54 0.00 -1.26 -4.61 119.66 115.89 1za1 s GLN 80 Ca 0.00 0.73 0.00 0.00 -0.00 0.00 0.00 55.36 56.09 1za1 s GLN 80 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 33.01 29.47 1za1 s GLN 80 CO 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 175.29 175.13 1za1 n ALA 81 N 4.72 0.00 -3.53 2.60 0.00 -1.26 -4.80 120.51 118.24 1za1 n ALA 81 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1za1 n ALA 81 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 1za1 n ALA 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1za1 s THR 82 N -0.98 -0.06 -0.05 0.00 2.01 -1.19 -4.77 115.64 110.59 1za1 s THR 82 Ca 0.00 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 1za1 s THR 82 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1za1 s THR 82 CO 0.00 0.00 0.13 -0.69 -0.69 0.00 0.00 174.62 173.37 1za1 s VAL 83 N 1.45 5.24 -0.09 3.82 1.01 -1.25 0.08 120.40 130.66 1za1 s VAL 83 Ca -0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 1za1 s VAL 83 Cb -0.03 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 33.02 1za1 s VAL 83 CO -0.13 0.45 -0.02 0.20 0.00 0.00 0.00 175.10 175.61 1za1 s ASN 84 N -1.51 1.84 -0.06 3.32 -0.87 0.17 -2.77 114.94 115.07 1za1 s ASN 84 Ca 0.21 -0.20 -0.30 0.00 -1.57 0.00 0.00 52.86 51.01 1za1 s ASN 84 Cb -0.12 -0.56 -0.03 0.00 -0.02 0.00 0.00 41.25 40.52 1za1 s ASN 84 CO 0.11 -0.18 1.12 -0.13 -2.57 0.00 0.00 177.10 175.46 1za1 s ARG 85 N 1.89 4.39 -0.59 -0.60 0.52 -1.02 0.12 118.95 123.66 1za1 s ARG 85 Ca 0.05 1.57 0.04 0.00 -0.52 0.00 0.00 55.73 56.87 1za1 s ARG 85 Cb -0.13 -3.53 0.15 0.00 0.52 0.00 0.00 34.95 31.96 1za1 s ARG 85 CO -0.06 -0.37 0.37 0.42 0.02 0.00 0.00 175.30 175.68 1za1 s ILE 86 N 2.00 2.44 -0.24 1.52 1.01 0.15 -1.26 121.20 126.82 1za1 s ILE 86 Ca 0.53 -3.62 -0.10 0.00 0.00 0.00 0.00 60.65 57.46 1za1 s ILE 86 Cb -0.23 -2.65 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 1za1 s ILE 86 CO 0.21 -0.93 0.15 -0.62 0.00 0.00 0.00 174.94 173.75 1za1 s ASP 87 N -0.72 6.03 -0.48 3.58 2.15 -1.24 -2.75 116.67 123.25 1za1 s ASP 87 Ca 0.22 0.09 -0.00 0.00 0.43 0.00 0.00 52.55 53.29 1za1 s ASP 87 Cb -0.14 -2.09 -0.00 0.00 -0.30 0.00 0.00 42.92 40.39 1za1 s ASP 87 CO -0.09 0.06 0.40 -3.20 -0.17 0.00 0.00 175.17 172.17 1za1 n ASN 88 N 4.29 -2.11 0.00 -0.34 5.15 -1.22 -3.51 115.26 117.52 1za1 n ASN 88 Ca -0.15 -0.25 0.00 0.00 -0.60 0.00 0.00 54.58 53.58 1za1 n ASN 88 Cb 0.52 -2.35 0.00 0.00 -0.53 0.00 0.00 39.78 37.42 1za1 n ASN 88 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1za1 n TYR 89 N -2.24 0.00 -4.04 1.20 4.01 -1.00 -4.84 117.16 110.24 1za1 n TYR 89 Ca -0.11 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.31 1za1 n TYR 89 Cb 0.57 -0.95 -0.16 0.00 -0.31 0.00 0.00 39.34 38.49 1za1 n TYR 89 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1za1 s GLU 90 N -0.52 2.29 -0.39 -0.72 2.56 -1.23 -5.06 118.70 115.63 1za1 s GLU 90 Ca 0.00 -0.99 -0.31 0.00 0.00 0.00 0.00 54.97 53.67 1za1 s GLU 90 Cb 0.00 -2.59 -0.09 0.00 2.00 0.00 0.00 34.13 33.45 1za1 s GLU 90 CO 0.00 -0.42 2.28 0.28 -0.56 0.00 0.00 175.26 176.84 1za1 n VAL 91 N 4.60 0.16 -0.09 3.70 0.31 -1.26 -3.67 118.33 122.08 1za1 n VAL 91 Ca -0.16 -0.40 0.05 0.00 -0.01 0.00 0.00 64.34 63.81 1za1 n VAL 91 Cb 0.46 -2.05 0.25 0.00 -0.91 0.00 0.00 33.84 31.59 1za1 n VAL 91 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1za1 n VAL 92 N 7.54 1.58 0.00 2.52 0.31 -0.39 -4.87 118.33 125.02 1za1 n VAL 92 Ca 0.39 -0.84 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 1za1 n VAL 92 Cb 0.34 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 1za1 n VAL 92 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1za1 n GLY 93 N 0.50 0.79 2.95 2.92 0.00 -1.23 -4.94 105.19 106.18 1za1 n GLY 93 Ca 0.17 0.54 -0.30 0.00 0.00 0.00 0.00 46.02 46.43 1za1 n GLY 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1za1 s LYS 94 N 0.00 1.56 0.00 1.61 2.20 -1.26 -2.44 119.74 121.41 1za1 s LYS 94 Ca 0.00 -2.06 0.00 0.00 -0.36 0.00 0.00 55.97 53.55 1za1 s LYS 94 Cb 0.00 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 1za1 s LYS 94 CO 0.00 -1.01 0.00 -1.13 -0.36 0.00 0.00 175.35 172.85 1za1 n SER 95 N 3.89 0.00 -3.79 1.43 3.41 -1.11 -4.98 113.62 112.47 1za1 n SER 95 Ca 0.04 -0.69 -0.13 0.00 -0.26 0.00 0.00 58.87 57.84 1za1 n SER 95 Cb 0.38 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.23 1za1 n SER 95 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1za1 s ARG 96 N -0.64 0.41 -0.29 4.33 1.81 -1.26 -3.80 118.95 119.49 1za1 s ARG 96 Ca 0.00 0.15 -0.29 0.00 -1.72 0.00 0.00 55.73 53.87 1za1 s ARG 96 Cb 0.00 0.19 -0.00 0.00 -0.45 0.00 0.00 34.95 34.68 1za1 s ARG 96 CO 0.00 -0.08 1.39 -2.14 -0.68 0.00 0.00 175.30 173.80 1za1 s PRO 97 N -0.37 3.84 -0.18 3.54 0.02 -1.25 -4.85 135.00 135.75 1za1 s PRO 97 Ca -0.05 1.31 -0.10 0.00 0.02 0.00 0.00 61.00 62.19 1za1 s PRO 97 Cb -0.03 -3.94 -0.05 0.00 0.02 0.00 0.00 34.50 30.50 1za1 s PRO 97 CO 0.01 -1.22 0.15 0.45 -0.33 0.00 0.00 177.00 176.06 1za1 s SER 98 N 3.29 6.27 -0.04 2.53 0.15 -1.26 -4.78 113.70 119.86 1za1 s SER 98 Ca 0.61 0.30 -0.37 0.00 0.70 0.00 0.00 55.95 57.19 1za1 s SER 98 Cb -0.18 -2.09 -0.15 0.00 -1.71 0.00 0.00 66.02 61.89 1za1 s SER 98 CO 0.26 0.22 1.63 -0.11 1.20 0.00 0.00 173.24 176.44 1za1 n LEU 99 N 3.20 2.56 -4.99 3.45 0.00 -1.26 -4.47 117.00 115.49 1za1 n LEU 99 Ca -0.17 1.07 -0.24 0.00 0.00 0.00 0.00 56.01 56.67 1za1 n LEU 99 Cb 0.53 -1.27 0.11 0.00 0.00 0.00 0.00 43.42 42.79 1za1 n LEU 99 CO 0.36 -0.49 0.57 -2.16 0.00 0.00 0.00 177.39 175.67 1za1 s PRO 100 N 2.25 1.64 -0.14 1.96 0.04 -1.26 -5.03 135.00 134.46 1za1 s PRO 100 Ca 0.89 -1.03 0.09 0.00 0.04 0.00 0.00 61.00 60.99 1za1 s PRO 100 Cb -0.87 -2.30 -0.23 0.00 0.04 0.00 0.00 34.50 31.14 1za1 s PRO 100 CO 0.51 -1.49 0.30 -0.85 0.04 0.00 0.00 177.00 175.51 1za1 n GLU 101 N -2.89 0.68 -4.00 4.56 0.28 -1.26 -4.66 120.64 113.35 1za1 n GLU 101 Ca 0.15 0.17 -0.30 0.00 -0.16 0.00 0.00 57.16 57.02 1za1 n GLU 101 Cb 0.60 -1.65 -0.16 0.00 1.43 0.00 0.00 31.44 31.66 1za1 n GLU 101 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1za1 s ARG 102 N -2.55 2.09 -0.30 3.44 3.52 -1.26 -0.99 118.95 122.90 1za1 s ARG 102 Ca -0.14 -0.73 -0.09 0.00 -0.13 0.00 0.00 55.73 54.64 1za1 s ARG 102 Cb 0.07 -2.29 -0.01 0.00 -1.56 0.00 0.00 34.95 31.16 1za1 s ARG 102 CO 0.78 -0.36 0.14 0.42 -0.81 0.00 0.00 175.30 175.47 1za1 s ILE 103 N 1.44 4.58 0.39 4.11 -1.09 -1.22 -4.98 121.20 124.43 1za1 s ILE 103 Ca 0.01 -0.37 0.08 0.00 -2.23 0.00 0.00 60.65 58.14 1za1 s ILE 103 Cb -0.15 -3.31 -0.04 0.00 -1.58 0.00 0.00 42.46 37.38 1za1 s ILE 103 CO -0.09 0.11 0.21 -1.81 -1.23 0.00 0.00 174.94 172.14 1za1 s ASP 104 N 1.62 4.66 0.00 3.58 1.11 -1.26 -2.07 116.67 124.31 1za1 s ASP 104 Ca 0.05 -0.90 0.00 0.00 0.18 0.00 0.00 52.55 51.88 1za1 s ASP 104 Cb -0.17 -0.59 0.00 0.00 1.07 0.00 0.00 42.92 43.24 1za1 s ASP 104 CO 0.06 -0.49 0.00 0.59 1.18 0.00 0.00 175.17 176.51 1za1 n ASN 105 N -1.28 0.00 0.02 0.27 3.02 -0.90 -4.34 115.26 112.05 1za1 n ASN 105 Ca -0.01 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.64 1za1 n ASN 105 Cb 0.63 -0.02 -0.11 0.00 -0.61 0.00 0.00 39.78 39.67 1za1 n ASN 105 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1za1 n VAL 106 N -0.03 0.30 -2.84 2.41 0.24 -1.26 -4.68 118.33 112.46 1za1 n VAL 106 Ca 0.00 -0.54 -0.27 0.00 -2.04 0.00 0.00 64.34 61.49 1za1 n VAL 106 Cb 0.00 -0.16 -0.01 0.00 -1.47 0.00 0.00 33.84 32.21 1za1 n VAL 106 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1za1 s LEU 107 N -4.88 3.74 -0.14 1.34 1.43 -1.26 -5.08 118.68 113.83 1za1 s LEU 107 Ca -0.05 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 1za1 s LEU 107 Cb 0.12 -3.75 0.02 0.00 0.03 0.00 0.00 46.19 42.61 1za1 s LEU 107 CO 0.86 -0.49 -0.13 -0.69 0.23 0.00 0.00 176.35 176.14 1za1 s VAL 108 N -2.60 1.46 0.13 -1.59 1.01 -1.26 -4.64 120.40 112.91 1za1 s VAL 108 Ca 0.46 -0.56 -0.31 0.00 0.00 0.00 0.00 61.98 61.56 1za1 s VAL 108 Cb -0.10 -1.38 -0.09 0.00 0.00 0.00 0.00 36.38 34.81 1za1 s VAL 108 CO 0.42 0.44 1.51 0.00 0.00 0.00 0.00 175.10 177.46 1za1 n PRO 110 N 4.15 0.22 -2.44 0.00 -0.04 -1.26 -4.65 135.00 130.97 1za1 n PRO 110 Ca 0.13 0.40 -0.43 0.00 -0.04 0.00 0.00 63.50 63.56 1za1 n PRO 110 Cb 0.40 -1.88 -0.02 0.00 -0.04 0.00 0.00 33.50 31.96 1za1 n PRO 110 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1za1 s ASN 111 N -4.36 6.57 0.59 3.54 2.47 -1.26 -4.88 114.94 117.60 1za1 s ASN 111 Ca 0.05 0.93 0.35 0.00 0.42 0.00 0.00 52.86 54.61 1za1 s ASN 111 Cb 0.10 -2.54 1.82 0.00 -1.45 0.00 0.00 41.25 39.17 1za1 s ASN 111 CO 0.43 -1.22 2.18 0.77 -3.72 0.00 0.00 177.10 175.54 1za1 h SER 112 N 9.68 0.00 0.04 -4.21 4.64 -2.03 -2.27 113.55 119.40 1za1 h SER 112 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1za1 h SER 112 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1za1 h SER 112 CO 1.07 0.04 -0.05 -3.20 -0.87 0.00 0.00 176.83 173.82 1za1 n ASN 113 N -3.38 1.42 -4.77 4.97 5.15 -1.26 -4.95 115.26 112.44 1za1 n ASN 113 Ca -0.02 -1.38 -0.41 0.00 -0.60 0.00 0.00 54.58 52.17 1za1 n ASN 113 Cb 0.17 0.03 -0.01 0.00 -0.53 0.00 0.00 39.78 39.44 1za1 n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1za1 h ILE 115 N 3.06 0.00 0.00 0.00 6.09 -1.92 -3.02 117.51 121.71 1za1 h ILE 115 Ca -0.50 -0.20 -0.01 0.00 -1.37 0.00 0.00 64.86 62.78 1za1 h ILE 115 Cb 1.23 0.91 -0.00 0.00 0.47 0.00 0.00 36.82 39.43 1za1 h ILE 115 CO 0.67 0.00 -0.05 0.77 -3.07 0.00 0.00 178.15 176.46 1za1 h SER 116 N 0.00 0.00 0.13 2.19 4.64 -1.94 -3.33 113.55 115.24 1za1 h SER 116 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1za1 h SER 116 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1za1 h SER 116 CO 0.00 0.05 -0.06 0.45 -0.87 0.00 0.00 176.83 176.40 1za1 h HIS 117 N 0.00 -0.16 -0.22 4.77 3.86 -1.90 -3.15 115.15 118.35 1za1 h HIS 117 Ca -0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1za1 h HIS 117 Cb 0.34 0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.86 1za1 h HIS 117 CO 0.00 0.18 0.00 0.00 0.86 0.00 0.00 177.93 178.97 1za1 n ALA 118 N -2.35 2.48 -2.55 2.45 0.00 -1.25 -4.94 120.51 114.36 1za1 n ALA 118 Ca -0.09 -0.46 -0.25 0.00 0.00 0.00 0.00 53.44 52.64 1za1 n ALA 118 Cb 0.21 -1.03 -0.09 0.00 0.00 0.00 0.00 19.45 18.54 1za1 n ALA 118 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1za1 s GLU 119 N -1.71 1.97 0.00 0.00 0.41 -1.19 -5.00 118.70 113.18 1za1 s GLU 119 Ca 0.22 -1.42 -0.02 0.00 -0.41 0.00 0.00 54.97 53.34 1za1 s GLU 119 Cb 0.12 -2.05 -0.10 0.00 -1.78 0.00 0.00 34.13 30.32 1za1 s GLU 119 CO 0.16 0.40 1.76 -2.30 -0.49 0.00 0.00 175.26 174.79 1za1 n PRO 120 N -0.25 0.86 -4.51 0.39 -0.02 -1.26 -4.78 135.00 125.42 1za1 n PRO 120 Ca -0.09 -0.36 -0.25 0.00 -2.02 0.00 0.00 63.50 60.78 1za1 n PRO 120 Cb 0.57 -1.60 -0.10 0.00 -0.02 0.00 0.00 33.50 32.34 1za1 n PRO 120 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1za1 s VAL 121 N 1.70 2.20 -0.15 -1.45 -7.23 -1.26 -5.13 120.40 109.08 1za1 s VAL 121 Ca 0.24 -2.23 -0.10 0.00 -1.81 0.00 0.00 61.98 58.08 1za1 s VAL 121 Cb 0.11 -2.55 -0.05 0.00 0.56 0.00 0.00 36.38 34.45 1za1 s VAL 121 CO 0.00 -0.25 0.18 -0.44 -0.31 0.00 0.00 175.10 174.28 1za1 s SER 122 N -3.57 6.35 0.90 4.85 0.01 -1.26 -5.05 113.70 115.93 1za1 s SER 122 Ca 0.31 0.41 -0.12 0.00 1.31 0.00 0.00 55.95 57.86 1za1 s SER 122 Cb 0.01 -2.11 0.09 0.00 0.21 0.00 0.00 66.02 64.22 1za1 s SER 122 CO 0.15 0.25 0.85 -1.54 0.41 0.00 0.00 173.24 173.36 1za1 n SER 123 N 2.92 -0.51 -3.62 2.44 3.41 -1.26 -4.69 113.62 112.31 1za1 n SER 123 Ca -0.16 0.43 -0.03 0.00 -0.26 0.00 0.00 58.87 58.84 1za1 n SER 123 Cb 0.53 -1.37 -0.06 0.00 -0.26 0.00 0.00 64.21 63.05 1za1 n SER 123 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1za1 s SER 124 N -2.25 -0.91 0.30 4.04 0.15 -1.26 -2.11 113.70 111.66 1za1 s SER 124 Ca 0.64 1.35 0.06 0.00 0.70 0.00 0.00 55.95 58.71 1za1 s SER 124 Cb -0.24 1.71 -0.06 0.00 -1.71 0.00 0.00 66.02 65.72 1za1 s SER 124 CO 0.60 -0.20 -0.03 -0.36 1.20 0.00 0.00 173.24 174.45 1za1 s PHE 125 N 2.12 2.02 -0.22 3.44 0.40 -0.88 -0.37 117.98 124.49 1za1 s PHE 125 Ca -0.08 -0.74 -0.04 0.00 -0.60 0.00 0.00 56.93 55.48 1za1 s PHE 125 Cb -0.07 -1.21 -0.01 0.00 0.51 0.00 0.00 43.02 42.24 1za1 s PHE 125 CO -0.19 0.25 -0.03 0.00 0.70 0.00 0.00 175.22 175.95 1za1 s ALA 126 N -3.03 2.85 0.04 5.36 0.00 0.23 -3.39 121.76 123.83 1za1 s ALA 126 Ca 0.31 -1.14 -0.27 0.00 0.00 0.00 0.00 51.96 50.86 1za1 s ALA 126 Cb 0.05 -1.72 -0.05 0.00 0.00 0.00 0.00 23.12 21.40 1za1 s ALA 126 CO 0.13 -0.38 0.85 0.08 0.00 0.00 0.00 175.76 176.44 1za1 s VAL 127 N 1.40 4.72 -0.36 0.00 1.01 -0.16 -2.12 120.40 124.90 1za1 s VAL 127 Ca 0.05 1.81 0.03 0.00 0.00 0.00 0.00 61.98 63.87 1za1 s VAL 127 Cb -0.14 -4.20 0.19 0.00 0.00 0.00 0.00 36.38 32.22 1za1 s VAL 127 CO -0.02 0.30 0.74 -0.60 0.00 0.00 0.00 175.10 175.52 1za1 s ARG 128 N 0.24 0.58 0.25 2.72 3.52 -0.88 -4.89 118.95 120.49 1za1 s ARG 128 Ca 0.43 -0.01 -0.31 0.00 -0.13 0.00 0.00 55.73 55.71 1za1 s ARG 128 Cb -0.21 0.11 -0.11 0.00 -1.56 0.00 0.00 34.95 33.18 1za1 s ARG 128 CO 0.25 -0.90 1.60 0.21 -0.81 0.00 0.00 175.30 175.65 1za1 s LYS 129 N 2.18 4.15 -0.70 5.12 2.20 -1.26 -1.06 119.74 130.37 1za1 s LYS 129 Ca 0.15 2.52 0.05 0.00 -0.36 0.00 0.00 55.97 58.33 1za1 s LYS 129 Cb -0.04 -3.07 0.17 0.00 -1.51 0.00 0.00 37.83 33.39 1za1 s LYS 129 CO -0.14 -0.63 0.50 -2.13 -0.36 0.00 0.00 175.35 172.59 1za1 n ARG 130 N 2.91 1.80 -3.55 4.03 0.63 -1.26 -4.81 116.66 116.41 1za1 n ARG 130 Ca 0.11 -4.45 -0.26 0.00 -0.92 0.00 0.00 57.85 52.33 1za1 n ARG 130 Cb 0.37 -2.26 0.05 0.00 0.45 0.00 0.00 32.46 31.07 1za1 n ARG 130 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1za1 n ALA 131 N 1.94 -2.55 -2.93 5.13 0.00 -1.26 -3.92 120.51 116.92 1za1 n ALA 131 Ca 0.21 -0.14 -0.04 0.00 0.00 0.00 0.00 53.44 53.46 1za1 n ALA 131 Cb 0.36 -4.23 0.00 0.00 0.00 0.00 0.00 19.45 15.58 1za1 n ALA 131 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1za1 n ASN 132 N -2.74 -7.43 0.00 0.00 5.15 -1.26 -4.95 115.26 104.04 1za1 n ASN 132 Ca -0.09 0.90 0.00 0.00 -0.60 0.00 0.00 54.58 54.79 1za1 n ASN 132 Cb 0.60 -4.01 0.00 0.00 -0.53 0.00 0.00 39.78 35.83 1za1 n ASN 132 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1za1 n ASP 133 N 0.66 0.00 -2.62 1.20 4.64 -1.25 -5.12 116.55 114.04 1za1 n ASP 133 Ca 0.01 0.00 -0.35 0.00 -1.38 0.00 0.00 54.79 53.07 1za1 n ASP 133 Cb 0.26 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.29 1za1 n ASP 133 CO 0.00 0.00 0.00 -0.38 -0.82 0.00 0.00 177.20 176.00 1za1 n ILE 134 N 0.00 0.00 -3.71 5.18 5.41 -1.26 -4.10 119.36 120.88 1za1 n ILE 134 Ca 0.00 0.00 -0.37 0.00 1.00 0.00 0.00 62.75 63.38 1za1 n ILE 134 Cb 0.00 -0.09 -0.06 0.00 -0.71 0.00 0.00 39.64 38.78 1za1 n ILE 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1za1 s ALA 135 N 0.53 3.79 -0.15 -1.39 0.00 -0.22 0.18 121.76 124.50 1za1 s ALA 135 Ca 0.55 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.05 1za1 s ALA 135 Cb -0.77 -2.16 -0.00 0.00 0.00 0.00 0.00 23.12 20.19 1za1 s ALA 135 CO 0.37 0.54 -0.16 -0.51 0.00 0.00 0.00 175.76 176.01 1za1 s LEU 136 N -0.99 2.47 -0.24 0.00 1.43 0.20 -2.08 118.68 119.47 1za1 s LEU 136 Ca 0.19 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1za1 s LEU 136 Cb -0.14 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.54 1za1 s LEU 136 CO 0.08 0.11 -0.05 -0.75 0.23 0.00 0.00 176.35 175.96 1za1 s LYS 137 N 0.69 3.04 0.16 1.70 2.20 -0.90 0.23 119.74 126.85 1za1 s LYS 137 Ca -0.08 -0.85 -0.30 0.00 -0.36 0.00 0.00 55.97 54.38 1za1 s LYS 137 Cb -0.16 -3.01 -0.08 0.00 -1.51 0.00 0.00 37.83 33.08 1za1 s LYS 137 CO 0.02 -0.33 1.32 0.00 -0.36 0.00 0.00 175.35 175.99 1za1 h LYS 139 N 5.98 0.56 0.00 0.00 3.64 -1.05 0.24 116.57 125.95 1za1 h LYS 139 Ca -0.43 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1za1 h LYS 139 Cb 1.21 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1za1 h LYS 139 CO 0.80 0.39 -0.18 1.88 -2.27 0.00 0.00 179.45 180.07 1za1 h TYR 140 N 0.58 0.00 -0.00 1.91 0.05 -1.90 -3.38 116.97 114.22 1za1 h TYR 140 Ca 0.15 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.93 1za1 h TYR 140 Cb -0.04 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.70 1za1 h TYR 140 CO 0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 178.16 177.07 1za1 n GLU 142 N -0.87 -1.69 -3.11 0.00 1.02 0.07 -4.97 120.64 111.10 1za1 n GLU 142 Ca 0.18 0.79 -0.27 0.00 -0.02 0.00 0.00 57.16 57.85 1za1 n GLU 142 Cb 0.23 -5.24 -0.02 0.00 -0.02 0.00 0.00 31.44 26.40 1za1 n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1za1 s LYS 143 N -4.12 3.56 -0.06 3.49 -0.14 -1.25 -4.76 119.74 116.46 1za1 s LYS 143 Ca 0.00 -0.03 0.04 0.00 -1.36 0.00 0.00 55.97 54.62 1za1 s LYS 143 Cb 0.00 -2.55 -0.00 0.00 -1.68 0.00 0.00 37.83 33.59 1za1 s LYS 143 CO 0.00 0.05 -0.19 -1.21 -0.76 0.00 0.00 175.35 173.24 1za1 s GLU 144 N -4.20 2.07 0.13 1.68 2.02 -1.26 -0.61 118.70 118.55 1za1 s GLU 144 Ca 0.44 -0.66 0.05 0.00 0.02 0.00 0.00 54.97 54.82 1za1 s GLU 144 Cb -0.10 -1.73 -0.04 0.00 0.10 0.00 0.00 34.13 32.36 1za1 s GLU 144 CO 0.37 0.22 -0.13 -0.06 0.02 0.00 0.00 175.26 175.68 1za1 s PHE 145 N 0.16 1.36 0.38 1.61 0.08 0.13 -4.89 117.98 116.81 1za1 s PHE 145 Ca -0.08 -0.61 -0.27 0.00 0.12 0.00 0.00 56.93 56.09 1za1 s PHE 145 Cb -0.14 -0.70 -0.09 0.00 -0.57 0.00 0.00 43.02 41.52 1za1 s PHE 145 CO 0.04 0.14 1.32 0.45 -0.10 0.00 0.00 175.22 177.06 1za1 s SER 146 N -2.70 6.48 0.53 1.36 0.15 -1.26 0.60 113.70 118.85 1za1 s SER 146 Ca 0.12 2.70 0.33 0.00 0.70 0.00 0.00 55.95 59.80 1za1 s SER 146 Cb -0.03 -2.64 1.82 0.00 -1.71 0.00 0.00 66.02 63.46 1za1 s SER 146 CO 0.02 -0.74 2.02 1.12 1.20 0.00 0.00 173.24 176.87 1za1 h HIS 147 N 2.96 0.00 -0.02 3.44 2.07 -0.48 0.50 115.15 123.62 1za1 h HIS 147 Ca -0.49 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 56.91 1za1 h HIS 147 Cb 1.24 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.20 1za1 h HIS 147 CO 0.54 0.00 -0.52 -0.91 -3.07 0.00 0.00 177.93 173.97 1za1 h ASN 148 N 0.00 0.05 0.16 3.10 -0.26 -1.89 -1.24 115.58 115.51 1za1 h ASN 148 Ca 0.00 -0.03 -0.28 0.00 -0.56 0.00 0.00 56.30 55.43 1za1 h ASN 148 Cb 0.10 -0.01 0.01 0.00 -1.06 0.00 0.00 38.32 37.35 1za1 h ASN 148 CO 0.00 0.56 -1.37 0.58 -1.06 0.00 0.00 177.43 176.15 1za1 h VAL 149 N 0.04 1.16 0.23 2.81 2.07 -1.26 -2.97 116.25 118.33 1za1 h VAL 149 Ca -0.00 -2.50 -0.01 0.00 0.82 0.00 0.00 66.70 65.00 1za1 h VAL 149 Cb 0.94 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.60 1za1 h VAL 149 CO 0.07 0.76 -0.11 0.58 0.02 0.00 0.00 177.57 178.89 1za1 h VAL 150 N -0.16 0.80 0.00 2.57 2.07 -1.51 -2.93 116.25 117.10 1za1 h VAL 150 Ca -0.27 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 1za1 h VAL 150 Cb 1.88 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1za1 h VAL 150 CO 0.14 0.04 -0.14 -0.07 0.02 0.00 0.00 177.57 177.56 1za1 h LEU 151 N -0.41 0.00 -1.60 2.57 3.38 -1.38 -2.65 115.31 115.22 1za1 h LEU 151 Ca -0.03 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.15 1za1 h LEU 151 Cb 0.31 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 1za1 h LEU 151 CO 0.05 0.14 0.59 0.00 0.09 0.00 0.00 178.44 179.32 1za1 h ALA 152 N 1.86 2.31 0.00 1.53 0.00 -1.34 -3.51 119.26 120.11 1za1 h ALA 152 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1za1 h ALA 152 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1za1 h ALA 152 CO 0.02 -0.58 0.00 0.09 0.00 0.00 0.00 179.25 178.78