#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 -1.97 -3.43 -1.42 -0.00 -1.26 -5.08 115.22 102.06 1za1 n HIS 3 Ca 0.00 -1.30 -0.15 0.00 -0.00 0.00 0.00 57.72 56.27 1za1 n HIS 3 Cb 0.00 -0.30 -0.11 0.00 -0.00 0.00 0.00 29.99 29.58 1za1 n HIS 3 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1za1 s ASP 4 N -3.04 1.00 -0.01 0.41 1.11 -1.26 -4.96 116.67 109.92 1za1 s ASP 4 Ca 0.29 -0.13 0.00 0.00 0.18 0.00 0.00 52.55 52.90 1za1 s ASP 4 Cb -0.02 0.67 0.02 0.00 1.07 0.00 0.00 42.92 44.66 1za1 s ASP 4 CO 0.19 -0.32 0.65 -3.20 1.18 0.00 0.00 175.17 173.67 1za1 n ASN 5 N 5.33 0.90 -0.00 0.27 5.15 -1.26 -3.93 115.26 121.71 1za1 n ASN 5 Ca -0.04 -2.02 -0.01 0.00 -0.60 0.00 0.00 54.58 51.91 1za1 n ASN 5 Cb 0.49 -0.39 -0.00 0.00 -0.53 0.00 0.00 39.78 39.35 1za1 n ASN 5 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1za1 n LYS 6 N -0.09 0.04 -3.41 1.20 2.85 -1.26 -5.03 118.16 112.46 1za1 n LYS 6 Ca 0.01 0.02 -0.19 0.00 -1.05 0.00 0.00 58.31 57.10 1za1 n LYS 6 Cb 0.22 -0.39 -0.10 0.00 -0.65 0.00 0.00 35.03 34.11 1za1 n LYS 6 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1za1 s LEU 7 N -5.35 -0.10 0.05 -5.58 2.01 -1.25 -5.14 118.68 103.31 1za1 s LEU 7 Ca -0.02 -0.96 -0.21 0.00 0.01 0.00 0.00 54.13 52.94 1za1 s LEU 7 Cb 0.00 0.40 -0.06 0.00 0.01 0.00 0.00 46.19 46.54 1za1 s LEU 7 CO 0.03 -0.38 0.64 -1.10 1.01 0.00 0.00 176.35 176.56 1za1 s GLN 8 N 2.18 4.34 -0.15 1.70 1.11 -1.26 -4.95 119.66 122.64 1za1 s GLN 8 Ca 0.11 0.85 -0.28 0.00 0.01 0.00 0.00 55.36 56.04 1za1 s GLN 8 Cb -0.15 -3.30 -0.01 0.00 -1.01 0.00 0.00 33.01 28.55 1za1 s GLN 8 CO -0.29 0.47 0.95 0.08 0.01 0.00 0.00 175.29 176.52 1za1 s VAL 9 N -0.60 4.80 0.45 1.09 1.01 -1.26 -5.00 120.40 120.88 1za1 s VAL 9 Ca 0.32 1.90 -0.22 0.00 0.00 0.00 0.00 61.98 63.98 1za1 s VAL 9 Cb -0.20 -4.25 -0.12 0.00 0.00 0.00 0.00 36.38 31.81 1za1 s VAL 9 CO 0.20 -0.02 0.57 -1.84 0.00 0.00 0.00 175.10 174.01 1za1 n GLU 10 N 5.33 0.62 -1.39 2.72 -0.00 -1.26 -5.01 120.64 121.65 1za1 n GLU 10 Ca 0.08 0.23 -0.21 0.00 -0.00 0.00 0.00 57.16 57.26 1za1 n GLU 10 Cb 0.48 -1.58 0.15 0.00 -0.00 0.00 0.00 31.44 30.49 1za1 n GLU 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1za1 n ALA 11 N -0.98 -1.09 -2.71 -1.84 0.00 -1.26 -5.11 120.51 107.51 1za1 n ALA 11 Ca 0.11 -1.26 -0.09 0.00 0.00 0.00 0.00 53.44 52.20 1za1 n ALA 11 Cb 0.41 -0.06 -0.07 0.00 0.00 0.00 0.00 19.45 19.73 1za1 n ALA 11 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1za1 s ILE 12 N -3.09 0.08 0.00 0.00 -1.16 -1.26 -5.12 121.20 110.65 1za1 s ILE 12 Ca 0.55 -1.27 0.00 0.00 -0.51 0.00 0.00 60.65 59.41 1za1 s ILE 12 Cb -0.01 -1.67 0.00 0.00 0.61 0.00 0.00 42.46 41.38 1za1 s ILE 12 CO 0.38 -0.38 0.17 1.17 -2.81 0.00 0.00 174.94 173.47 1za1 n LYS 13 N -0.18 0.00 -3.83 3.50 4.81 -1.26 -3.92 118.16 117.28 1za1 n LYS 13 Ca -0.10 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 56.99 1za1 n LYS 13 Cb 0.63 -0.57 -0.09 0.00 0.02 0.00 0.00 35.03 35.01 1za1 n LYS 13 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1za1 s ARG 14 N -0.33 4.05 0.00 1.64 3.52 -1.26 -2.16 118.95 124.41 1za1 s ARG 14 Ca 0.00 -0.30 0.00 0.00 -0.13 0.00 0.00 55.73 55.30 1za1 s ARG 14 Cb 0.00 -3.36 0.00 0.00 -1.56 0.00 0.00 34.95 30.03 1za1 s ARG 14 CO 0.00 0.21 0.00 0.41 -0.81 0.00 0.00 175.30 175.11 1za1 n GLY 15 N 3.77 -0.67 3.20 8.12 0.00 -0.89 0.96 105.19 119.68 1za1 n GLY 15 Ca -0.16 -0.94 -0.16 0.00 0.00 0.00 0.00 46.02 44.75 1za1 n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1za1 s THR 16 N -3.00 1.10 -0.17 2.61 2.01 0.27 -1.21 115.64 117.26 1za1 s THR 16 Ca 0.00 -1.60 -0.02 0.00 0.31 0.00 0.00 61.69 60.38 1za1 s THR 16 Cb 0.00 -1.36 0.05 0.00 0.01 0.00 0.00 72.50 71.21 1za1 s THR 16 CO 0.00 -0.45 0.03 -0.69 -0.69 0.00 0.00 174.62 172.82 1za1 s VAL 17 N -2.11 0.50 -0.87 3.82 1.01 0.37 -2.12 120.40 121.00 1za1 s VAL 17 Ca 0.05 -0.41 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 1za1 s VAL 17 Cb -0.05 -0.93 0.14 0.00 0.00 0.00 0.00 36.38 35.54 1za1 s VAL 17 CO 0.02 -0.10 1.03 -0.63 0.00 0.00 0.00 175.10 175.41 1za1 s ILE 18 N 1.88 4.85 0.46 2.22 -1.09 0.11 -0.27 121.20 129.36 1za1 s ILE 18 Ca 0.00 -1.59 0.02 0.00 -2.23 0.00 0.00 60.65 56.85 1za1 s ILE 18 Cb -0.16 -4.70 0.01 0.00 -1.58 0.00 0.00 42.46 36.03 1za1 s ILE 18 CO -0.07 -1.40 0.67 -0.62 -1.23 0.00 0.00 174.94 172.29 1za1 s ASP 19 N 3.40 5.68 -1.62 3.58 3.68 -0.33 -2.12 116.67 128.95 1za1 s ASP 19 Ca 0.28 0.10 0.00 0.00 2.13 0.00 0.00 52.55 55.06 1za1 s ASP 19 Cb -0.08 -1.26 0.00 0.00 -1.45 0.00 0.00 42.92 40.13 1za1 s ASP 19 CO -0.07 -0.80 0.00 1.41 0.13 0.00 0.00 175.17 175.84 1za1 n HIS 20 N -2.09 -0.00 -1.85 -5.34 8.25 -1.26 -1.07 115.22 111.86 1za1 n HIS 20 Ca 0.03 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.07 1za1 n HIS 20 Cb 0.58 -2.68 -0.03 0.00 1.12 0.00 0.00 29.99 28.99 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 -2.57 3.31 -0.38 1.59 -1.09 -0.46 -4.33 121.20 117.28 1za1 s ILE 21 Ca 0.00 0.34 -0.29 0.00 -2.23 0.00 0.00 60.65 58.47 1za1 s ILE 21 Cb 0.00 -3.35 -0.32 0.00 -1.58 0.00 0.00 42.46 37.21 1za1 s ILE 21 CO 0.00 -0.18 1.76 -0.81 -1.23 0.00 0.00 174.94 174.49 1za1 n PRO 22 N 8.17 0.18 0.00 2.79 -0.04 -1.26 0.38 135.00 145.22 1za1 n PRO 22 Ca 0.23 -1.29 0.00 0.00 -0.04 0.00 0.00 63.50 62.40 1za1 n PRO 22 Cb 0.45 -2.95 0.00 0.00 -0.04 0.00 0.00 33.50 30.96 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 11.96 -0.15 -1.68 0.55 0.00 -1.26 -3.76 120.51 126.18 1za1 n ALA 23 Ca 0.46 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.85 1za1 n ALA 23 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.87 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 0.00 -0.32 0.00 0.00 1.13 -1.26 -4.79 117.38 112.14 1za1 n GLN 24 Ca 0.00 0.39 0.00 0.00 -1.94 0.00 0.00 57.00 55.45 1za1 n GLN 24 Cb 0.00 -4.10 0.00 0.00 0.11 0.00 0.00 30.24 26.25 1za1 n GLN 24 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1za1 n ILE 25 N -3.54 0.00 0.00 5.09 5.41 -1.25 -4.84 119.36 120.24 1za1 n ILE 25 Ca -0.05 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.68 1za1 n ILE 25 Cb 0.37 0.54 0.00 0.00 -0.71 0.00 0.00 39.64 39.85 1za1 n ILE 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1za1 n GLY 26 N 0.16 -2.27 0.19 7.39 0.00 -1.26 -1.29 105.19 108.09 1za1 n GLY 26 Ca 0.00 0.01 0.18 0.00 0.00 0.00 0.00 46.02 46.21 1za1 n GLY 26 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1za1 n PHE 27 N -0.06 0.55 -0.11 1.61 7.35 -1.26 0.32 117.46 125.86 1za1 n PHE 27 Ca 0.00 0.55 -0.09 0.00 -0.76 0.00 0.00 57.45 57.15 1za1 n PHE 27 Cb 0.00 -0.98 -0.02 0.00 0.35 0.00 0.00 39.48 38.83 1za1 n PHE 27 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1za1 h LYS 28 N 0.00 0.48 -0.94 -4.13 3.64 -1.86 0.18 116.57 113.94 1za1 h LYS 28 Ca 0.45 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.80 1za1 h LYS 28 Cb 1.25 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.92 1za1 h LYS 28 CO -0.36 0.45 0.61 -0.07 -2.27 0.00 0.00 179.45 177.80 1za1 h LEU 29 N 0.40 0.99 -1.29 5.20 3.38 0.65 0.27 115.31 124.91 1za1 h LEU 29 Ca 0.11 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1za1 h LEU 29 Cb 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1za1 h LEU 29 CO -0.01 0.67 -0.33 -0.07 0.09 0.00 0.00 178.44 178.78 1za1 h LEU 30 N 1.15 0.00 0.00 1.67 4.07 -0.71 -2.36 115.31 119.13 1za1 h LEU 30 Ca 0.39 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.35 1za1 h LEU 30 Cb 0.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.80 1za1 h LEU 30 CO -0.14 0.33 -0.02 0.28 -1.08 0.00 0.00 178.44 177.81 1za1 h SER 31 N 0.00 0.00 -0.88 -0.43 0.02 0.11 -2.63 113.55 109.74 1za1 h SER 31 Ca -0.00 0.00 0.23 0.00 -0.84 0.00 0.00 61.79 61.18 1za1 h SER 31 Cb 0.67 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.06 1za1 h SER 31 CO 0.04 0.34 0.13 -0.07 -1.14 0.00 0.00 176.83 176.13 1za1 h LEU 32 N -0.65 -0.20 -3.25 5.07 3.38 -0.64 -0.61 115.31 118.41 1za1 h LEU 32 Ca 0.00 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1za1 h LEU 32 Cb 0.02 0.34 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1za1 h LEU 32 CO 0.00 -0.22 0.00 0.49 0.09 0.00 0.00 178.44 178.80 1za1 n PHE 33 N -5.32 1.57 -4.39 1.13 3.01 -0.89 -4.87 117.46 107.70 1za1 n PHE 33 Ca 0.20 -0.66 -0.37 0.00 1.01 0.00 0.00 57.45 57.64 1za1 n PHE 33 Cb 0.66 -0.31 -0.08 0.00 -0.01 0.00 0.00 39.48 39.75 1za1 n PHE 33 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1za1 n LYS 34 N 0.87 -1.23 0.24 -1.08 5.02 -0.24 -4.83 118.16 116.92 1za1 n LYS 34 Ca 0.26 0.16 0.17 0.00 -2.02 0.00 0.00 58.31 56.88 1za1 n LYS 34 Cb 0.96 -4.31 0.78 0.00 -0.02 0.00 0.00 35.03 32.44 1za1 n LYS 34 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1za1 h LEU 35 N -1.35 0.00 -0.75 -0.35 3.38 -1.72 -2.49 115.31 112.04 1za1 h LEU 35 Ca -0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1za1 h LEU 35 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1za1 h LEU 35 CO 0.80 0.00 -0.29 0.35 0.09 0.00 0.00 178.44 179.39 1za1 n THR 36 N -2.75 0.00 -1.80 0.22 -2.24 -1.26 -4.47 114.28 101.98 1za1 n THR 36 Ca -0.00 -0.19 -0.41 0.00 -2.27 0.00 0.00 64.05 61.17 1za1 n THR 36 Cb 0.17 0.70 -0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1za1 n THR 36 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1za1 n GLU 37 N -0.30 3.27 -3.60 -0.78 1.02 -0.94 -4.78 120.64 114.52 1za1 n GLU 37 Ca 0.12 -2.78 -0.09 0.00 -0.02 0.00 0.00 57.16 54.39 1za1 n GLU 37 Cb 0.39 -3.09 -0.02 0.00 -0.02 0.00 0.00 31.44 28.71 1za1 n GLU 37 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1za1 s THR 38 N 2.16 0.00 -0.09 2.62 -1.32 -1.26 -5.06 115.64 112.69 1za1 s THR 38 Ca 0.50 -0.38 0.21 0.00 -1.21 0.00 0.00 61.69 60.81 1za1 s THR 38 Cb 0.14 -1.40 -0.27 0.00 -1.51 0.00 0.00 72.50 69.46 1za1 s THR 38 CO -0.07 0.00 0.50 -0.90 -2.21 0.00 0.00 174.62 171.95 1za1 n ASP 39 N -0.40 0.17 -4.41 8.08 5.75 -1.26 -4.98 116.55 119.49 1za1 n ASP 39 Ca -0.11 0.07 -0.36 0.00 -0.01 0.00 0.00 54.79 54.38 1za1 n ASP 39 Cb 0.62 1.50 0.07 0.00 -1.03 0.00 0.00 41.12 42.28 1za1 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1za1 n GLN 40 N -2.44 0.21 -2.08 0.11 1.13 -1.26 -4.86 117.38 108.19 1za1 n GLN 40 Ca -0.09 0.10 -0.42 0.00 -1.94 0.00 0.00 57.00 54.66 1za1 n GLN 40 Cb 0.69 -1.71 -0.03 0.00 0.11 0.00 0.00 30.24 29.30 1za1 n GLN 40 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1za1 s ARG 41 N -2.64 4.29 0.12 -1.09 6.06 -1.26 -4.81 118.95 119.61 1za1 s ARG 41 Ca 0.62 2.20 0.07 0.00 -2.50 0.00 0.00 55.73 56.12 1za1 s ARG 41 Cb -0.34 -3.19 -0.04 0.00 0.06 0.00 0.00 34.95 31.45 1za1 s ARG 41 CO 0.61 -0.46 -0.17 0.42 -2.50 0.00 0.00 175.30 173.19 1za1 s ILE 42 N 0.81 1.54 -0.15 4.11 1.01 -1.26 -1.18 121.20 126.08 1za1 s ILE 42 Ca 0.64 -1.62 -0.04 0.00 0.00 0.00 0.00 60.65 59.63 1za1 s ILE 42 Cb -0.40 -1.53 0.07 0.00 0.01 0.00 0.00 42.46 40.62 1za1 s ILE 42 CO 0.34 -0.23 0.22 -0.89 0.00 0.00 0.00 174.94 174.38 1za1 s THR 43 N -1.61 -0.34 0.14 2.92 2.01 -0.10 -4.99 115.64 113.68 1za1 s THR 43 Ca 0.08 0.14 0.05 0.00 0.31 0.00 0.00 61.69 62.27 1za1 s THR 43 Cb -0.08 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 1za1 s THR 43 CO 0.04 -0.00 0.09 -0.63 -0.69 0.00 0.00 174.62 173.42 1za1 s ILE 44 N 2.35 4.30 -0.20 1.82 -1.09 -1.26 -1.00 121.20 126.13 1za1 s ILE 44 Ca 0.04 -1.09 -0.04 0.00 -2.23 0.00 0.00 60.65 57.33 1za1 s ILE 44 Cb -0.13 -3.15 0.07 0.00 -1.58 0.00 0.00 42.46 37.66 1za1 s ILE 44 CO -0.09 -0.05 0.08 -0.83 -1.23 0.00 0.00 174.94 172.82 1za1 s GLY 45 N -2.87 0.51 -0.15 6.18 0.00 0.44 -4.98 107.32 106.45 1za1 s GLY 45 Ca 0.29 -0.58 -0.06 0.00 0.00 0.00 0.00 44.72 44.38 1za1 s GLY 45 CO 0.22 1.66 0.06 1.08 0.00 0.00 0.00 173.10 176.12 1za1 s LEU 46 N 2.02 3.87 -0.26 0.66 1.43 -1.26 -0.37 118.68 124.77 1za1 s LEU 46 Ca 0.02 0.17 -0.09 0.00 -1.03 0.00 0.00 54.13 53.20 1za1 s LEU 46 Cb -0.16 -1.95 0.01 0.00 0.03 0.00 0.00 46.19 44.12 1za1 s LEU 46 CO -0.12 0.27 0.22 0.59 0.23 0.00 0.00 176.35 177.53 1za1 n ASN 47 N 2.89 -7.18 -4.44 2.29 3.02 -1.26 -4.97 115.26 105.62 1za1 n ASN 47 Ca -0.18 0.71 -0.21 0.00 -0.03 0.00 0.00 54.58 54.87 1za1 n ASN 47 Cb 0.53 -3.62 -0.10 0.00 -0.61 0.00 0.00 39.78 35.98 1za1 n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1za1 s LEU 48 N -1.75 2.43 -0.15 3.41 2.01 -0.45 -4.85 118.68 119.34 1za1 s LEU 48 Ca 0.11 -1.24 -0.29 0.00 0.01 0.00 0.00 54.13 52.72 1za1 s LEU 48 Cb -0.02 -0.59 -0.02 0.00 0.01 0.00 0.00 46.19 45.57 1za1 s LEU 48 CO 0.56 -0.41 1.34 -2.16 1.01 0.00 0.00 176.35 176.69 1za1 s PRO 49 N -3.76 4.20 -0.11 1.29 0.04 -1.26 -0.11 135.00 135.29 1za1 s PRO 49 Ca 0.31 1.73 -0.03 0.00 0.04 0.00 0.00 61.00 63.05 1za1 s PRO 49 Cb 0.05 -3.81 0.04 0.00 0.04 0.00 0.00 34.50 30.82 1za1 s PRO 49 CO 0.13 -0.76 0.06 0.45 0.04 0.00 0.00 177.00 176.91 1za1 s SER 50 N 2.30 1.85 0.50 6.66 0.15 -0.77 -4.83 113.70 119.57 1za1 s SER 50 Ca 0.58 -0.30 0.34 0.00 0.70 0.00 0.00 55.95 57.27 1za1 s SER 50 Cb -0.23 -0.29 1.62 0.00 -1.71 0.00 0.00 66.02 65.41 1za1 s SER 50 CO 0.18 -0.28 2.01 1.23 1.20 0.00 0.00 173.24 177.58 1za1 h GLY 51 N 8.39 0.00 -3.47 9.45 0.00 -1.96 0.50 103.07 115.98 1za1 h GLY 51 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1za1 h GLY 51 CO 0.24 0.00 0.00 -1.84 0.00 0.00 0.00 176.54 174.94 1za1 n GLU 52 N -2.80 4.73 0.00 4.80 0.00 -1.26 -4.57 120.64 121.53 1za1 n GLU 52 Ca -0.01 -3.08 0.00 0.00 0.00 0.00 0.00 57.16 54.08 1za1 n GLU 52 Cb 0.17 -2.22 0.00 0.00 0.00 0.00 0.00 31.44 29.39 1za1 n GLU 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1za1 n MET 53 N 0.68 0.00 0.00 3.44 0.00 -0.96 -5.07 117.12 115.21 1za1 n MET 53 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.97 1za1 n MET 53 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 33.22 34.37 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 2.29 3.08 3.17 0.00 0.17 -4.82 105.19 109.08 1za1 n GLY 54 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1za1 n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1za1 s ARG 55 N 0.00 0.58 -0.13 1.61 1.81 -1.25 -1.84 118.95 119.73 1za1 s ARG 55 Ca 0.00 -0.84 -0.29 0.00 -1.72 0.00 0.00 55.73 52.87 1za1 s ARG 55 Cb 0.00 -0.29 0.09 0.00 -0.45 0.00 0.00 34.95 34.30 1za1 s ARG 55 CO 0.00 0.04 0.78 -1.59 -0.68 0.00 0.00 175.30 173.86 1za1 s LYS 56 N -1.90 0.88 0.39 3.54 -2.85 0.85 -4.08 119.74 116.57 1za1 s LYS 56 Ca -0.07 0.38 -0.00 0.00 -1.00 0.00 0.00 55.97 55.28 1za1 s LYS 56 Cb -0.08 0.42 -0.02 0.00 -2.06 0.00 0.00 37.83 36.08 1za1 s LYS 56 CO -0.00 -0.24 0.61 -0.51 0.10 0.00 0.00 175.35 175.31 1za1 s ASP 57 N -0.81 6.14 -0.14 0.03 1.01 1.20 -1.34 116.67 122.76 1za1 s ASP 57 Ca -0.06 0.45 -0.08 0.00 0.71 0.00 0.00 52.55 53.57 1za1 s ASP 57 Cb -0.01 -1.89 0.05 0.00 1.01 0.00 0.00 42.92 42.08 1za1 s ASP 57 CO 0.05 -0.46 0.34 -0.22 0.21 0.00 0.00 175.17 175.10 1za1 s LEU 58 N -4.44 0.11 -0.05 1.23 0.20 0.51 -1.35 118.68 114.88 1za1 s LEU 58 Ca 0.43 0.74 0.05 0.00 0.69 0.00 0.00 54.13 56.05 1za1 s LEU 58 Cb -0.10 1.10 -0.02 0.00 -0.43 0.00 0.00 46.19 46.74 1za1 s LEU 58 CO 0.38 -0.18 -0.20 -0.63 -0.29 0.00 0.00 176.35 175.42 1za1 s ILE 59 N 1.35 2.53 -0.12 6.68 1.01 -0.90 -0.42 121.20 131.33 1za1 s ILE 59 Ca -0.09 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.65 1za1 s ILE 59 Cb -0.09 -1.95 0.02 0.00 0.01 0.00 0.00 42.46 40.44 1za1 s ILE 59 CO -0.11 0.58 -0.12 -0.54 0.00 0.00 0.00 174.94 174.74 1za1 s LYS 60 N -0.44 2.02 -0.06 2.79 1.02 -0.17 0.04 119.74 124.94 1za1 s LYS 60 Ca 0.05 -0.46 0.06 0.00 0.02 0.00 0.00 55.97 55.64 1za1 s LYS 60 Cb -0.12 -1.86 -0.01 0.00 -0.52 0.00 0.00 37.83 35.32 1za1 s LYS 60 CO 0.01 -0.19 -0.24 0.42 -0.92 0.00 0.00 175.35 174.44 1za1 s ILE 61 N 1.39 1.96 -0.03 2.17 1.01 -0.90 -0.92 121.20 125.88 1za1 s ILE 61 Ca 0.01 -1.01 -0.08 0.00 0.00 0.00 0.00 60.65 59.57 1za1 s ILE 61 Cb -0.13 -1.67 -0.05 0.00 0.01 0.00 0.00 42.46 40.62 1za1 s ILE 61 CO -0.07 0.55 0.24 -1.61 0.00 0.00 0.00 174.94 174.05 1za1 s GLU 62 N -0.11 3.58 -1.49 2.79 2.02 -0.32 -0.56 118.70 124.60 1za1 s GLU 62 Ca -0.04 -0.04 -0.06 0.00 0.02 0.00 0.00 54.97 54.85 1za1 s GLU 62 Cb -0.14 -3.13 0.02 0.00 0.10 0.00 0.00 34.13 30.98 1za1 s GLU 62 CO 0.04 0.70 0.69 0.09 0.02 0.00 0.00 175.26 176.79 1za1 n ASN 63 N 1.47 -5.73 -3.76 -0.19 3.02 0.27 -4.55 115.26 105.79 1za1 n ASN 63 Ca -0.14 -0.36 -0.13 0.00 -0.03 0.00 0.00 54.58 53.92 1za1 n ASN 63 Cb 0.53 -4.62 -0.14 0.00 -0.61 0.00 0.00 39.78 34.95 1za1 n ASN 63 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1za1 s THR 64 N -3.17 -0.04 0.19 3.41 2.01 -1.26 -4.95 115.64 111.83 1za1 s THR 64 Ca 0.38 0.13 0.06 0.00 0.31 0.00 0.00 61.69 62.57 1za1 s THR 64 Cb -0.17 -0.25 -0.05 0.00 0.01 0.00 0.00 72.50 72.04 1za1 s THR 64 CO 0.46 0.05 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.96 1za1 s PHE 65 N 0.92 1.55 -0.08 4.92 0.40 -1.26 -2.78 117.98 121.64 1za1 s PHE 65 Ca -0.07 -0.65 0.05 0.00 -0.60 0.00 0.00 56.93 55.66 1za1 s PHE 65 Cb -0.09 -0.75 -0.01 0.00 0.51 0.00 0.00 43.02 42.69 1za1 s PHE 65 CO -0.05 0.25 -0.24 -0.51 0.70 0.00 0.00 175.22 175.37 1za1 s LEU 66 N -3.26 2.11 0.94 -0.37 1.43 -1.26 -5.10 118.68 113.16 1za1 s LEU 66 Ca 0.21 -0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 52.67 1za1 s LEU 66 Cb 0.01 -1.40 0.16 0.00 0.03 0.00 0.00 46.19 44.98 1za1 s LEU 66 CO 0.05 0.21 1.09 -0.94 0.23 0.00 0.00 176.35 176.98 1za1 s SER 67 N 0.05 3.04 0.67 2.29 1.04 -1.26 -4.78 113.70 114.75 1za1 s SER 67 Ca -0.10 1.43 0.40 0.00 0.48 0.00 0.00 55.95 58.17 1za1 s SER 67 Cb -0.15 -2.11 2.20 0.00 0.10 0.00 0.00 66.02 66.05 1za1 s SER 67 CO 0.06 -2.90 2.24 1.05 0.98 0.00 0.00 173.24 174.67 1za1 h GLU 68 N -1.73 0.00 0.15 4.02 9.09 -2.00 -2.39 114.58 121.72 1za1 h GLU 68 Ca -0.51 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 58.63 1za1 h GLU 68 Cb 1.30 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.41 1za1 h GLU 68 CO 0.55 0.00 -1.29 -0.44 0.05 0.00 0.00 179.01 177.88 1za1 h ASP 69 N 0.00 0.50 0.10 3.06 5.19 -1.98 -1.88 116.42 121.40 1za1 h ASP 69 Ca 0.00 -0.90 -0.02 0.00 -0.62 0.00 0.00 57.03 55.49 1za1 h ASP 69 Cb 0.20 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.54 1za1 h ASP 69 CO -0.00 1.59 -0.10 1.56 -3.12 0.00 0.00 179.24 179.17 1za1 h GLN 70 N -0.22 0.00 -0.15 3.56 4.20 -1.78 -0.61 115.11 120.11 1za1 h GLN 70 Ca -0.26 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.26 1za1 h GLN 70 Cb 1.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.60 1za1 h GLN 70 CO 0.13 0.10 -0.71 0.28 -0.67 0.00 0.00 178.83 177.96 1za1 h VAL 71 N 0.00 1.31 0.00 -0.54 2.07 -1.49 -2.81 116.25 114.80 1za1 h VAL 71 Ca -0.00 -1.97 -0.04 0.00 0.82 0.00 0.00 66.70 65.51 1za1 h VAL 71 Cb 0.17 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1za1 h VAL 71 CO 0.01 0.62 -0.17 0.44 0.02 0.00 0.00 177.57 178.49 1za1 h ASP 72 N 0.46 0.00 0.75 0.57 5.19 -0.33 -2.23 116.42 120.82 1za1 h ASP 72 Ca -0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1za1 h ASP 72 Cb 1.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.81 1za1 h ASP 72 CO 0.14 0.17 0.00 1.56 -3.12 0.00 0.00 179.24 177.99 1za1 h GLN 73 N 0.00 0.00 0.00 3.56 1.08 -0.89 -1.17 115.11 117.69 1za1 h GLN 73 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1za1 h GLN 73 Cb 0.49 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1za1 h GLN 73 CO 0.02 0.00 -0.09 -0.07 -0.95 0.00 0.00 178.83 177.74 1za1 h LEU 74 N 0.00 0.00 -0.43 1.46 3.38 -1.47 -3.39 115.31 114.86 1za1 h LEU 74 Ca 0.00 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1za1 h LEU 74 Cb 0.37 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 1za1 h LEU 74 CO 0.00 0.01 -0.25 0.00 0.09 0.00 0.00 178.44 178.29 1za1 n ALA 75 N -1.91 -0.27 0.32 1.53 0.00 -0.44 -0.61 120.51 119.13 1za1 n ALA 75 Ca 0.05 0.36 0.20 0.00 0.00 0.00 0.00 53.44 54.05 1za1 n ALA 75 Cb 0.47 0.08 1.06 0.00 0.00 0.00 0.00 19.45 21.06 1za1 n ALA 75 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1za1 h LEU 76 N 0.00 0.00 0.00 0.00 3.38 -1.81 -2.41 115.31 114.48 1za1 h LEU 76 Ca 0.07 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.70 1za1 h LEU 76 Cb 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 1za1 h LEU 76 CO -0.40 0.00 -2.16 -1.22 0.09 0.00 0.00 178.44 174.74 1za1 n TYR 77 N -3.14 0.00 -3.27 1.13 4.01 0.22 -4.80 117.16 111.30 1za1 n TYR 77 Ca -0.02 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.47 1za1 n TYR 77 Cb 0.18 -0.76 -0.07 0.00 -0.31 0.00 0.00 39.34 38.38 1za1 n TYR 77 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1za1 n ALA 78 N -3.74 3.20 -0.22 -0.72 0.00 -0.05 -4.81 120.51 114.17 1za1 n ALA 78 Ca -0.40 -4.04 0.01 0.00 0.00 0.00 0.00 53.44 49.01 1za1 n ALA 78 Cb 0.81 -0.85 0.25 0.00 0.00 0.00 0.00 19.45 19.66 1za1 n ALA 78 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1za1 h PRO 79 N 3.97 0.99 -0.76 0.00 0.13 -1.57 -2.25 132.00 132.51 1za1 h PRO 79 Ca 0.13 -0.06 -0.10 0.00 -0.87 0.00 0.00 66.00 65.10 1za1 h PRO 79 Cb 0.78 -0.22 -0.06 0.00 0.13 0.00 0.00 31.00 31.62 1za1 h PRO 79 CO 0.64 0.65 0.12 0.00 -0.23 0.00 0.00 178.00 179.18 1za1 n GLN 80 N -4.43 3.49 -1.37 0.86 -0.00 -1.26 -4.26 117.38 110.41 1za1 n GLN 80 Ca 0.09 -2.38 -0.30 0.00 -0.00 0.00 0.00 57.00 54.41 1za1 n GLN 80 Cb 0.05 -2.04 0.22 0.00 -0.00 0.00 0.00 30.24 28.47 1za1 n GLN 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1za1 s ALA 81 N -2.39 1.16 -0.11 2.61 0.00 -0.85 -4.79 121.76 117.40 1za1 s ALA 81 Ca 0.42 -1.04 -0.03 0.00 0.00 0.00 0.00 51.96 51.30 1za1 s ALA 81 Cb 0.33 -2.84 0.05 0.00 0.00 0.00 0.00 23.12 20.65 1za1 s ALA 81 CO 0.11 -3.21 0.11 0.99 0.00 0.00 0.00 175.76 173.76 1za1 s THR 82 N -3.31 -0.16 -0.14 0.00 2.01 -0.23 -4.47 115.64 109.34 1za1 s THR 82 Ca 0.72 0.18 -0.17 0.00 0.31 0.00 0.00 61.69 62.74 1za1 s THR 82 Cb -0.08 -0.36 -0.04 0.00 0.01 0.00 0.00 72.50 72.03 1za1 s THR 82 CO 0.55 -0.00 0.42 -0.69 -0.69 0.00 0.00 174.62 174.20 1za1 s VAL 83 N 2.21 5.23 -0.24 3.82 1.01 0.81 -1.18 120.40 132.05 1za1 s VAL 83 Ca 0.04 0.81 -0.03 0.00 0.00 0.00 0.00 61.98 62.80 1za1 s VAL 83 Cb -0.14 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.50 1za1 s VAL 83 CO -0.06 0.34 -0.03 0.20 0.00 0.00 0.00 175.10 175.54 1za1 s ASN 84 N 0.61 4.43 0.05 3.32 0.01 0.63 -1.20 114.94 122.79 1za1 s ASN 84 Ca 0.23 -0.64 -0.25 0.00 -0.71 0.00 0.00 52.86 51.48 1za1 s ASN 84 Cb -0.14 -1.73 -0.06 0.00 0.41 0.00 0.00 41.25 39.73 1za1 s ASN 84 CO 0.08 -0.09 0.78 -0.60 -1.51 0.00 0.00 177.10 175.75 1za1 s ARG 85 N 1.42 4.51 0.02 -0.60 3.52 0.21 -0.47 118.95 127.56 1za1 s ARG 85 Ca 0.03 1.09 0.03 0.00 -0.13 0.00 0.00 55.73 56.74 1za1 s ARG 85 Cb -0.16 -3.36 -0.02 0.00 -1.56 0.00 0.00 34.95 29.86 1za1 s ARG 85 CO -0.03 0.29 -0.08 0.42 -0.81 0.00 0.00 175.30 175.08 1za1 s ILE 86 N -0.08 0.62 0.07 4.11 -1.09 -0.35 -1.55 121.20 122.94 1za1 s ILE 86 Ca 0.39 -0.74 -0.21 0.00 -2.23 0.00 0.00 60.65 57.86 1za1 s ILE 86 Cb -0.21 -0.60 0.05 0.00 -1.58 0.00 0.00 42.46 40.12 1za1 s ILE 86 CO 0.23 -0.11 0.51 -0.62 -1.23 0.00 0.00 174.94 173.72 1za1 s ASP 87 N -0.93 -0.42 -1.23 3.58 2.15 -0.32 -2.10 116.67 117.40 1za1 s ASP 87 Ca -0.03 0.09 -0.04 0.00 0.43 0.00 0.00 52.55 53.00 1za1 s ASP 87 Cb -0.07 0.50 0.01 0.00 -0.30 0.00 0.00 42.92 43.06 1za1 s ASP 87 CO 0.00 -0.76 0.08 0.59 -0.17 0.00 0.00 175.17 174.91 1za1 n ASN 88 N 0.25 0.22 0.00 -0.34 3.02 -1.23 0.21 115.26 117.40 1za1 n ASN 88 Ca -0.18 -1.05 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 1za1 n ASN 88 Cb 0.61 -1.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.48 1za1 n ASN 88 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1za1 n TYR 89 N -4.00 0.00 -4.12 3.10 4.02 -1.22 -4.93 117.16 110.02 1za1 n TYR 89 Ca -0.25 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.29 1za1 n TYR 89 Cb 0.56 -1.35 -0.08 0.00 -0.02 0.00 0.00 39.34 38.44 1za1 n TYR 89 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1za1 s GLU 90 N -0.94 3.40 -1.18 -0.72 2.12 0.58 -4.91 118.70 117.04 1za1 s GLU 90 Ca 0.00 -0.30 -0.22 0.00 0.36 0.00 0.00 54.97 54.81 1za1 s GLU 90 Cb 0.00 -3.03 -0.07 0.00 0.26 0.00 0.00 34.13 31.29 1za1 s GLU 90 CO 0.00 0.61 1.91 0.08 -0.54 0.00 0.00 175.26 177.32 1za1 s VAL 91 N -0.59 3.60 -0.00 3.70 1.01 -1.26 -1.18 120.40 125.68 1za1 s VAL 91 Ca 0.11 -0.99 0.24 0.00 0.00 0.00 0.00 61.98 61.33 1za1 s VAL 91 Cb -0.12 -4.61 0.24 0.00 0.00 0.00 0.00 36.38 31.89 1za1 s VAL 91 CO 0.02 -1.10 1.75 1.62 0.00 0.00 0.00 175.10 177.39 1za1 h VAL 92 N 6.18 0.45 -3.94 2.92 3.04 -1.72 -3.46 116.25 119.73 1za1 h VAL 92 Ca 0.23 -1.21 -0.18 0.00 -1.01 0.00 0.00 66.70 64.53 1za1 h VAL 92 Cb 0.94 1.88 -0.22 0.00 -2.01 0.00 0.00 31.29 31.87 1za1 h VAL 92 CO 1.25 0.21 -0.70 -0.83 -1.01 0.00 0.00 177.57 176.48 1za1 s GLY 93 N -4.29 0.20 -0.30 3.17 0.00 -0.59 -4.97 107.32 100.54 1za1 s GLY 93 Ca 0.02 -0.49 0.02 0.00 0.00 0.00 0.00 44.72 44.27 1za1 s GLY 93 CO 0.65 -0.54 0.39 1.25 0.00 0.00 0.00 173.10 174.84 1za1 s LYS 94 N -1.20 0.42 0.26 2.90 2.20 -1.26 0.66 119.74 123.72 1za1 s LYS 94 Ca -0.13 0.01 0.10 0.00 -0.36 0.00 0.00 55.97 55.58 1za1 s LYS 94 Cb -0.08 -0.39 -0.04 0.00 -1.51 0.00 0.00 37.83 35.80 1za1 s LYS 94 CO -0.01 -1.05 -0.02 -1.54 -0.36 0.00 0.00 175.35 172.37 1za1 s SER 95 N 2.43 4.47 0.10 1.43 1.04 -0.34 -4.94 113.70 117.89 1za1 s SER 95 Ca 0.10 -0.65 0.10 0.00 0.48 0.00 0.00 55.95 55.97 1za1 s SER 95 Cb -0.13 -0.81 -0.04 0.00 0.10 0.00 0.00 66.02 65.15 1za1 s SER 95 CO -0.29 0.01 -0.24 -0.60 0.98 0.00 0.00 173.24 173.10 1za1 s ARG 96 N -3.58 1.63 -0.05 4.02 3.52 -1.26 -0.13 118.95 123.10 1za1 s ARG 96 Ca 0.31 -1.23 -0.30 0.00 -0.13 0.00 0.00 55.73 54.38 1za1 s ARG 96 Cb -0.07 -1.98 -0.07 0.00 -1.56 0.00 0.00 34.95 31.27 1za1 s ARG 96 CO 0.19 0.48 1.90 -2.14 -0.81 0.00 0.00 175.30 174.92 1za1 s PRO 97 N -1.83 3.97 0.08 5.12 0.02 -1.26 -4.86 135.00 136.24 1za1 s PRO 97 Ca 0.14 2.33 -0.01 0.00 0.02 0.00 0.00 61.00 63.49 1za1 s PRO 97 Cb -0.10 -4.14 -0.04 0.00 0.02 0.00 0.00 34.50 30.24 1za1 s PRO 97 CO 0.06 -1.13 0.24 -1.12 -0.33 0.00 0.00 177.00 174.72 1za1 s SER 98 N 4.72 6.39 -0.06 2.53 0.01 -1.26 -4.81 113.70 121.21 1za1 s SER 98 Ca 0.85 0.33 -0.30 0.00 1.31 0.00 0.00 55.95 58.15 1za1 s SER 98 Cb -0.37 -1.99 -0.05 0.00 0.21 0.00 0.00 66.02 63.82 1za1 s SER 98 CO 0.37 0.14 1.52 -0.22 0.41 0.00 0.00 173.24 175.46 1za1 s LEU 99 N -2.55 4.29 0.79 2.44 2.96 -1.26 -4.48 118.68 120.87 1za1 s LEU 99 Ca 0.36 2.10 -0.11 0.00 -0.22 0.00 0.00 54.13 56.26 1za1 s LEU 99 Cb -0.13 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 43.09 1za1 s LEU 99 CO 0.27 -0.85 1.15 -2.16 -1.32 0.00 0.00 176.35 173.45 1za1 s PRO 100 N 3.53 2.07 0.00 0.98 0.04 -1.26 -4.98 135.00 135.38 1za1 s PRO 100 Ca 0.67 0.10 0.25 0.00 0.04 0.00 0.00 61.00 62.06 1za1 s PRO 100 Cb -0.31 -1.98 0.33 0.00 0.04 0.00 0.00 34.50 32.59 1za1 s PRO 100 CO 0.26 -1.51 1.33 -0.85 0.04 0.00 0.00 177.00 176.27 1za1 n GLU 101 N -3.25 1.99 -3.66 4.56 0.00 -1.26 -4.54 120.64 114.48 1za1 n GLU 101 Ca 0.08 -1.57 -0.09 0.00 0.00 0.00 0.00 57.16 55.58 1za1 n GLU 101 Cb 0.61 -1.47 -0.08 0.00 0.00 0.00 0.00 31.44 30.49 1za1 n GLU 101 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1za1 s ARG 102 N -2.09 0.59 -0.16 3.44 6.06 -1.26 -1.62 118.95 123.91 1za1 s ARG 102 Ca 0.28 1.04 0.01 0.00 -2.50 0.00 0.00 55.73 54.56 1za1 s ARG 102 Cb 0.20 0.09 0.02 0.00 0.06 0.00 0.00 34.95 35.32 1za1 s ARG 102 CO 0.35 -0.15 -0.17 0.42 -2.50 0.00 0.00 175.30 173.26 1za1 s ILE 103 N 1.48 1.78 0.20 4.11 -1.09 -0.46 -4.93 121.20 122.29 1za1 s ILE 103 Ca -0.09 -0.77 0.11 0.00 -2.23 0.00 0.00 60.65 57.67 1za1 s ILE 103 Cb -0.06 -1.64 -0.04 0.00 -1.58 0.00 0.00 42.46 39.14 1za1 s ILE 103 CO -0.16 0.49 -0.24 -1.81 -1.23 0.00 0.00 174.94 172.00 1za1 s ASP 104 N 1.35 3.43 0.00 3.58 1.01 -1.26 -1.56 116.67 123.21 1za1 s ASP 104 Ca 0.04 -0.88 0.00 0.00 0.71 0.00 0.00 52.55 52.42 1za1 s ASP 104 Cb -0.13 -0.25 0.00 0.00 1.01 0.00 0.00 42.92 43.54 1za1 s ASP 104 CO -0.11 0.11 0.00 0.59 0.21 0.00 0.00 175.17 175.98 1za1 n ASN 105 N 0.21 0.00 0.01 0.27 4.13 -0.30 -4.62 115.26 114.96 1za1 n ASN 105 Ca -0.12 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.05 1za1 n ASN 105 Cb 0.56 0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 38.67 1za1 n ASN 105 CO 0.00 0.00 0.00 -0.37 0.28 0.00 0.00 177.26 177.17 1za1 h VAL 106 N 0.00 1.07 -4.15 2.41 -1.51 -1.88 -3.43 116.25 108.76 1za1 h VAL 106 Ca 0.00 -2.87 -0.50 0.00 -1.23 0.00 0.00 66.70 62.10 1za1 h VAL 106 Cb 0.00 2.55 0.04 0.00 -2.13 0.00 0.00 31.29 31.76 1za1 h VAL 106 CO 0.00 0.65 0.34 -0.76 -1.23 0.00 0.00 177.57 176.57 1za1 s LEU 107 N -6.35 3.41 -0.15 4.19 1.43 -1.26 -5.06 118.68 114.88 1za1 s LEU 107 Ca -0.04 1.35 0.01 0.00 -1.03 0.00 0.00 54.13 54.42 1za1 s LEU 107 Cb 0.08 -4.35 0.01 0.00 0.03 0.00 0.00 46.19 41.96 1za1 s LEU 107 CO 0.82 -0.73 -0.18 -0.69 0.23 0.00 0.00 176.35 175.80 1za1 s VAL 108 N -2.94 2.35 0.22 -1.59 1.01 -1.26 -4.68 120.40 113.51 1za1 s VAL 108 Ca 0.54 -0.87 -0.32 0.00 0.00 0.00 0.00 61.98 61.34 1za1 s VAL 108 Cb -0.11 -1.97 -0.12 0.00 0.00 0.00 0.00 36.38 34.18 1za1 s VAL 108 CO 0.46 0.53 1.68 0.00 0.00 0.00 0.00 175.10 177.77 1za1 h PRO 110 N 6.41 0.00 -5.99 0.00 0.11 -1.92 -3.42 132.00 127.20 1za1 h PRO 110 Ca -0.44 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.16 1za1 h PRO 110 Cb 1.20 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1za1 h PRO 110 CO 0.92 0.28 1.38 1.21 -0.21 0.00 0.00 178.00 181.59 1za1 s ASN 111 N -6.62 5.28 0.62 -2.05 2.47 -1.26 -4.83 114.94 108.55 1za1 s ASN 111 Ca -0.02 0.69 0.39 0.00 0.42 0.00 0.00 52.86 54.34 1za1 s ASN 111 Cb 0.13 -2.52 2.14 0.00 -1.45 0.00 0.00 41.25 39.56 1za1 s ASN 111 CO 0.67 -2.30 2.21 0.77 -3.72 0.00 0.00 177.10 174.73 1za1 h SER 112 N 15.21 0.00 -0.20 -4.21 4.64 -2.02 -0.71 113.55 126.26 1za1 h SER 112 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1za1 h SER 112 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1za1 h SER 112 CO 1.16 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 173.92 1za1 n ASN 113 N -2.93 2.39 -4.77 4.97 5.15 -1.26 -4.94 115.26 113.88 1za1 n ASN 113 Ca -0.03 -1.81 -0.40 0.00 -0.60 0.00 0.00 54.58 51.74 1za1 n ASN 113 Cb 0.11 -0.12 -0.01 0.00 -0.53 0.00 0.00 39.78 39.23 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 2.53 0.07 -0.15 0.00 6.09 -1.92 -3.22 117.51 120.91 1za1 h ILE 115 Ca -0.49 -0.38 0.02 0.00 -1.37 0.00 0.00 64.86 62.63 1za1 h ILE 115 Cb 1.24 1.35 -0.01 0.00 0.47 0.00 0.00 36.82 39.88 1za1 h ILE 115 CO 0.63 0.02 0.10 0.77 -3.07 0.00 0.00 178.15 176.60 1za1 h SER 116 N 0.00 0.10 -0.35 2.19 4.64 -1.92 -3.26 113.55 114.95 1za1 h SER 116 Ca -0.00 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1za1 h SER 116 Cb 0.35 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 1za1 h SER 116 CO 0.00 0.07 0.20 0.45 -0.87 0.00 0.00 176.83 176.69 1za1 h HIS 117 N 0.12 0.46 -0.24 4.77 3.86 -1.92 -3.05 115.15 119.15 1za1 h HIS 117 Ca 0.06 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1za1 h HIS 117 Cb 0.11 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.43 1za1 h HIS 117 CO -0.00 0.35 0.00 0.00 0.86 0.00 0.00 177.93 179.14 1za1 n ALA 118 N -2.22 2.49 -2.48 2.45 0.00 -1.23 -4.95 120.51 114.57 1za1 n ALA 118 Ca -0.01 -0.62 -0.29 0.00 0.00 0.00 0.00 53.44 52.52 1za1 n ALA 118 Cb 0.06 -1.03 -0.11 0.00 0.00 0.00 0.00 19.45 18.36 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 -1.69 1.73 -0.17 0.00 0.41 -1.15 -5.02 118.70 112.80 1za1 s GLU 119 Ca 0.32 -1.25 -0.02 0.00 -0.41 0.00 0.00 54.97 53.61 1za1 s GLU 119 Cb 0.18 -2.06 -0.07 0.00 -1.78 0.00 0.00 34.13 30.40 1za1 s GLU 119 CO 0.26 0.46 1.53 -2.30 -0.49 0.00 0.00 175.26 174.72 1za1 n PRO 120 N 0.68 0.80 -4.22 0.39 -0.02 -1.26 -4.78 135.00 126.59 1za1 n PRO 120 Ca -0.15 -0.55 -0.13 0.00 -2.02 0.00 0.00 63.50 60.65 1za1 n PRO 120 Cb 0.53 -1.85 -0.10 0.00 -0.02 0.00 0.00 33.50 32.06 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 2.93 0.89 -0.10 -1.45 -7.23 -1.26 -5.14 120.40 109.04 1za1 s VAL 121 Ca 0.21 -1.99 -0.12 0.00 -1.81 0.00 0.00 61.98 58.27 1za1 s VAL 121 Cb 0.09 -1.82 -0.05 0.00 0.56 0.00 0.00 36.38 35.15 1za1 s VAL 121 CO -0.01 -0.76 0.27 -0.44 -0.31 0.00 0.00 175.10 173.86 1za1 s SER 122 N -3.12 6.52 0.77 4.85 0.01 -1.26 -5.02 113.70 116.44 1za1 s SER 122 Ca 0.16 0.61 -0.14 0.00 1.31 0.00 0.00 55.95 57.89 1za1 s SER 122 Cb 0.04 -2.16 0.06 0.00 0.21 0.00 0.00 66.02 64.17 1za1 s SER 122 CO -0.01 0.27 1.20 -0.94 0.41 0.00 0.00 173.24 174.17 1za1 s SER 123 N -0.47 3.92 -0.24 2.44 1.04 -1.26 -4.74 113.70 114.38 1za1 s SER 123 Ca 0.18 2.33 -0.18 0.00 0.48 0.00 0.00 55.95 58.76 1za1 s SER 123 Cb -0.14 -2.59 0.07 0.00 0.10 0.00 0.00 66.02 63.47 1za1 s SER 123 CO 0.06 -2.45 0.62 -0.55 0.98 0.00 0.00 173.24 171.91 1za1 s SER 124 N -2.15 -0.75 -0.01 7.02 0.15 -1.26 -1.14 113.70 115.55 1za1 s SER 124 Ca 0.73 1.32 0.01 0.00 0.70 0.00 0.00 55.95 58.71 1za1 s SER 124 Cb -0.28 1.26 0.00 0.00 -1.71 0.00 0.00 66.02 65.29 1za1 s SER 124 CO 0.48 -0.22 -0.04 -0.36 1.20 0.00 0.00 173.24 174.29 1za1 s PHE 125 N 0.97 0.50 0.13 3.44 0.40 -0.60 -0.45 117.98 122.36 1za1 s PHE 125 Ca -0.05 -0.10 -0.29 0.00 -0.60 0.00 0.00 56.93 55.90 1za1 s PHE 125 Cb -0.05 -0.38 -0.07 0.00 0.51 0.00 0.00 43.02 43.04 1za1 s PHE 125 CO -0.09 -0.05 0.91 0.00 0.70 0.00 0.00 175.22 176.69 1za1 s ALA 126 N 0.20 3.30 -0.13 5.36 0.00 -0.15 -1.35 121.76 128.98 1za1 s ALA 126 Ca -0.02 0.52 -0.07 0.00 0.00 0.00 0.00 51.96 52.39 1za1 s ALA 126 Cb -0.06 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1za1 s ALA 126 CO -0.00 0.06 0.11 0.08 0.00 0.00 0.00 175.76 176.01 1za1 s VAL 127 N -0.33 5.29 -0.13 0.00 1.01 -0.64 -1.40 120.40 124.20 1za1 s VAL 127 Ca 0.43 0.13 -0.05 0.00 0.00 0.00 0.00 61.98 62.49 1za1 s VAL 127 Cb -0.23 -3.32 0.06 0.00 0.00 0.00 0.00 36.38 32.89 1za1 s VAL 127 CO 0.29 0.57 0.28 -0.60 0.00 0.00 0.00 175.10 175.64 1za1 s ARG 128 N -0.66 0.20 0.26 2.72 3.52 -0.59 -4.69 118.95 119.70 1za1 s ARG 128 Ca 0.13 0.69 -0.15 0.00 -0.13 0.00 0.00 55.73 56.27 1za1 s ARG 128 Cb -0.12 -0.04 -0.08 0.00 -1.56 0.00 0.00 34.95 33.15 1za1 s ARG 128 CO 0.02 -0.23 0.67 0.21 -0.81 0.00 0.00 175.30 175.16 1za1 s LYS 129 N 1.96 4.02 0.02 5.12 2.47 -1.26 0.58 119.74 132.65 1za1 s LYS 129 Ca -0.03 0.61 -0.23 0.00 -1.56 0.00 0.00 55.97 54.76 1za1 s LYS 129 Cb -0.11 -2.64 0.05 0.00 -1.46 0.00 0.00 37.83 33.66 1za1 s LYS 129 CO -0.09 0.29 0.52 -0.98 0.16 0.00 0.00 175.35 175.24 1za1 s ARG 130 N -2.58 0.99 -0.41 4.03 1.70 -0.90 -4.86 118.95 116.92 1za1 s ARG 130 Ca 0.48 -0.15 -0.42 0.00 -0.47 0.00 0.00 55.73 55.17 1za1 s ARG 130 Cb -0.12 0.45 -0.17 0.00 -0.57 0.00 0.00 34.95 34.54 1za1 s ARG 130 CO 0.19 -0.34 1.91 0.00 -1.08 0.00 0.00 175.30 175.98 1za1 n ALA 131 N 0.61 -0.11 0.00 7.88 0.00 -1.26 -1.60 120.51 126.02 1za1 n ALA 131 Ca -0.19 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1za1 n ALA 131 Cb 0.59 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.87 1za1 n ALA 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1za1 n ASN 132 N 6.49 0.00 -3.02 0.00 4.13 -1.26 -5.01 115.26 116.59 1za1 n ASN 132 Ca 0.38 0.00 -0.03 0.00 1.68 0.00 0.00 54.58 56.61 1za1 n ASN 132 Cb 0.06 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.31 1za1 n ASN 132 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1za1 n ASP 133 N 0.00 -1.57 -4.39 6.41 5.75 -0.63 -5.10 116.55 117.02 1za1 n ASP 133 Ca 0.00 -1.84 -0.33 0.00 -0.01 0.00 0.00 54.79 52.61 1za1 n ASP 133 Cb 0.00 2.56 -0.14 0.00 -1.03 0.00 0.00 41.12 42.51 1za1 n ASP 133 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1za1 s ILE 134 N -2.12 3.16 -0.20 2.12 -1.09 -1.26 -2.12 121.20 119.68 1za1 s ILE 134 Ca 0.20 -0.62 -0.20 0.00 -2.23 0.00 0.00 60.65 57.80 1za1 s ILE 134 Cb -0.03 -2.33 -0.03 0.00 -1.58 0.00 0.00 42.46 38.49 1za1 s ILE 134 CO 0.05 0.52 0.58 0.00 -1.23 0.00 0.00 174.94 174.86 1za1 s ALA 135 N 0.31 3.55 -0.21 9.38 0.00 0.20 0.14 121.76 135.13 1za1 s ALA 135 Ca -0.09 -0.35 -0.02 0.00 0.00 0.00 0.00 51.96 51.49 1za1 s ALA 135 Cb -0.16 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.06 1za1 s ALA 135 CO 0.05 -0.53 -0.10 -0.51 0.00 0.00 0.00 175.76 174.68 1za1 s LEU 136 N 1.85 2.64 -0.27 0.00 1.43 0.18 -1.54 118.68 122.96 1za1 s LEU 136 Ca 0.26 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.84 1za1 s LEU 136 Cb -0.16 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.42 1za1 s LEU 136 CO 0.10 -0.01 0.02 -0.75 0.23 0.00 0.00 176.35 175.93 1za1 s LYS 137 N 1.41 3.03 0.27 1.70 2.20 -0.49 0.38 119.74 128.25 1za1 s LYS 137 Ca 0.05 -0.88 -0.31 0.00 -0.36 0.00 0.00 55.97 54.48 1za1 s LYS 137 Cb -0.14 -3.20 -0.12 0.00 -1.51 0.00 0.00 37.83 32.87 1za1 s LYS 137 CO -0.07 -0.40 1.63 0.00 -0.36 0.00 0.00 175.35 176.15 1za1 h LYS 139 N 5.24 0.47 0.00 0.00 3.64 -1.12 -2.20 116.57 122.60 1za1 h LYS 139 Ca -0.46 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1za1 h LYS 139 Cb 1.22 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1za1 h LYS 139 CO 0.83 0.45 -0.03 1.88 -2.27 0.00 0.00 179.45 180.32 1za1 h TYR 140 N 0.46 0.00 -0.00 1.91 -1.99 -1.91 -3.38 116.97 112.06 1za1 h TYR 140 Ca 0.11 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.84 1za1 h TYR 140 Cb 0.21 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.94 1za1 h TYR 140 CO 0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 178.16 178.04 1za1 n GLU 142 N -1.16 -1.80 -3.03 0.00 1.02 -0.83 -4.96 120.64 109.88 1za1 n GLU 142 Ca 0.12 0.72 -0.35 0.00 -0.02 0.00 0.00 57.16 57.63 1za1 n GLU 142 Cb 0.29 -5.16 -0.06 0.00 -0.02 0.00 0.00 31.44 26.49 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 -2.52 4.21 -0.12 3.49 -0.14 -1.26 -4.79 119.74 118.61 1za1 s LYS 143 Ca 0.00 0.90 -0.02 0.00 -1.36 0.00 0.00 55.97 55.49 1za1 s LYS 143 Cb 0.00 -2.62 -0.03 0.00 -1.68 0.00 0.00 37.83 33.50 1za1 s LYS 143 CO 0.00 0.24 -0.05 -2.00 -0.76 0.00 0.00 175.35 172.78 1za1 s GLU 144 N -2.49 3.33 0.13 1.68 2.12 -1.26 -1.74 118.70 120.47 1za1 s GLU 144 Ca 0.50 -0.53 0.06 0.00 0.36 0.00 0.00 54.97 55.36 1za1 s GLU 144 Cb -0.14 -2.79 -0.04 0.00 0.26 0.00 0.00 34.13 31.42 1za1 s GLU 144 CO 0.19 0.40 -0.14 -0.06 -0.54 0.00 0.00 175.26 175.12 1za1 s PHE 145 N -0.09 1.40 0.37 5.30 0.40 0.16 -4.91 117.98 120.61 1za1 s PHE 145 Ca 0.02 -0.58 -0.27 0.00 -0.60 0.00 0.00 56.93 55.50 1za1 s PHE 145 Cb -0.13 -0.72 -0.09 0.00 0.51 0.00 0.00 43.02 42.59 1za1 s PHE 145 CO 0.03 0.15 1.18 0.45 0.70 0.00 0.00 175.22 177.73 1za1 s SER 146 N -2.58 6.69 0.66 1.36 0.15 -1.26 0.50 113.70 119.22 1za1 s SER 146 Ca 0.10 2.40 0.44 0.00 0.70 0.00 0.00 55.95 59.59 1za1 s SER 146 Cb -0.04 -2.62 2.32 0.00 -1.71 0.00 0.00 66.02 63.97 1za1 s SER 146 CO 0.03 -0.56 2.33 1.12 1.20 0.00 0.00 173.24 177.36 1za1 h HIS 147 N 2.97 0.00 -0.00 3.44 2.07 -0.67 0.17 115.15 123.13 1za1 h HIS 147 Ca -0.48 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 56.92 1za1 h HIS 147 Cb 1.23 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.19 1za1 h HIS 147 CO 0.56 0.00 -0.53 -0.91 -3.07 0.00 0.00 177.93 173.98 1za1 h ASN 148 N 0.00 0.00 0.01 3.10 2.35 -1.90 0.40 115.58 119.55 1za1 h ASN 148 Ca 0.00 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 1za1 h ASN 148 Cb 0.06 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1za1 h ASN 148 CO 0.00 0.53 -0.14 0.58 -1.65 0.00 0.00 177.43 176.75 1za1 h VAL 149 N 0.00 1.67 0.06 2.81 2.07 -1.05 -0.95 116.25 120.86 1za1 h VAL 149 Ca -0.01 -2.14 0.00 0.00 0.82 0.00 0.00 66.70 65.37 1za1 h VAL 149 Cb 0.94 3.09 -0.00 0.00 -1.52 0.00 0.00 31.29 33.80 1za1 h VAL 149 CO 0.07 0.57 -0.05 0.58 0.02 0.00 0.00 177.57 178.76 1za1 h VAL 150 N -0.76 0.90 0.00 2.57 2.07 -1.33 -1.81 116.25 117.89 1za1 h VAL 150 Ca -0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1za1 h VAL 150 Cb 1.01 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1za1 h VAL 150 CO 0.03 0.00 -0.11 -0.07 0.02 0.00 0.00 177.57 177.44 1za1 h LEU 151 N -0.11 0.00 -8.72 2.57 4.07 -1.05 -3.43 115.31 108.63 1za1 h LEU 151 Ca -0.00 0.00 -0.80 0.00 0.08 0.00 0.00 57.88 57.16 1za1 h LEU 151 Cb 0.10 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.84 1za1 h LEU 151 CO -0.01 0.11 0.97 0.00 -1.08 0.00 0.00 178.44 178.43 1za1 n ALA 152 N -2.17 -0.44 0.00 1.53 0.00 -0.36 -5.05 120.51 114.01 1za1 n ALA 152 Ca -0.00 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1za1 n ALA 152 Cb 0.33 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1za1 n ALA 152 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77