#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hd9 s THR 2 N 0.00 0.06 -0.03 1.12 2.01 -1.26 -5.07 115.64 112.47 2hd9 s THR 2 Ca 0.00 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.50 2hd9 s THR 2 Cb 0.00 -0.28 -0.03 0.00 0.01 0.00 0.00 72.50 72.20 2hd9 s THR 2 CO 0.00 -0.28 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.33 2hd9 s TYR 3 N -0.89 3.06 0.04 4.92 2.02 -1.26 -2.35 117.35 122.89 2hd9 s TYR 3 Ca -0.10 0.09 0.01 0.00 -0.37 0.00 0.00 57.07 56.70 2hd9 s TYR 3 Cb -0.06 -1.69 -0.03 0.00 -0.40 0.00 0.00 41.96 39.78 2hd9 s TYR 3 CO 0.00 0.44 -0.05 -1.58 -1.57 0.00 0.00 175.55 172.79 2hd9 s TRP 4 N -1.00 0.49 -0.15 2.71 0.52 -0.24 -0.38 118.94 120.89 2hd9 s TRP 4 Ca 0.17 -0.65 -0.01 0.00 0.02 0.00 0.00 56.10 55.63 2hd9 s TRP 4 Cb -0.11 -0.32 -0.01 0.00 -1.15 0.00 0.00 33.47 31.87 2hd9 s TRP 4 CO 0.07 -0.19 -0.11 -1.50 0.02 0.00 0.00 176.95 175.24 2hd9 s ILE 5 N -2.08 3.11 -0.16 2.03 2.07 -0.15 0.08 121.20 126.09 2hd9 s ILE 5 Ca -0.07 -0.63 -0.05 0.00 -1.41 0.00 0.00 60.65 58.49 2hd9 s ILE 5 Cb -0.05 -2.33 -0.03 0.00 0.13 0.00 0.00 42.46 40.18 2hd9 s ILE 5 CO -0.03 0.50 -0.01 0.00 -1.91 0.00 0.00 174.94 173.50 2hd9 s ILE 7 N 0.32 5.15 0.00 0.00 1.01 0.45 -0.87 121.20 127.26 2hd9 s ILE 7 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.74 2hd9 s ILE 7 Cb -0.14 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 38.90 2hd9 s ILE 7 CO 0.02 0.28 0.00 1.07 0.00 0.00 0.00 174.94 176.32 2hd9 n THR 8 N 4.88 0.00 -4.51 2.92 5.66 -0.07 -4.85 114.28 118.31 2hd9 n THR 8 Ca -0.15 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.60 2hd9 n THR 8 Cb 0.52 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.21 2hd9 n THR 8 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2hd9 s ASN 9 N 0.31 2.75 0.25 1.09 2.20 -1.26 -1.73 114.94 118.56 2hd9 s ASN 9 Ca 0.00 -1.60 -0.05 0.00 -0.94 0.00 0.00 52.86 50.27 2hd9 s ASN 9 Cb 0.00 0.36 0.28 0.00 -2.00 0.00 0.00 41.25 39.90 2hd9 s ASN 9 CO 0.00 -0.85 1.85 0.03 -2.94 0.00 0.00 177.10 175.19 2hd9 h ARG 10 N 1.85 1.12 -0.31 3.55 3.08 -1.95 -0.35 114.38 121.37 2hd9 h ARG 10 Ca -0.37 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 59.48 2hd9 h ARG 10 Cb 1.27 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 2hd9 h ARG 10 CO 0.61 0.86 0.05 1.49 -1.07 0.00 0.00 179.97 181.90 2hd9 h GLU 11 N 1.11 0.51 0.00 0.04 4.81 -1.99 -2.78 114.58 116.28 2hd9 h GLU 11 Ca 0.27 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2hd9 h GLU 11 Cb 0.10 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2hd9 h GLU 11 CO -0.04 0.61 0.00 -0.91 -0.73 0.00 0.00 179.01 177.95 2hd9 h ASN 12 N 0.33 0.00 -0.57 1.04 2.35 -1.88 -2.78 115.58 114.08 2hd9 h ASN 12 Ca 0.09 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.77 2hd9 h ASN 12 Cb 0.35 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 2hd9 h ASN 12 CO 0.01 0.00 0.07 -0.25 -1.65 0.00 0.00 177.43 175.60 2hd9 h TRP 13 N 0.00 1.06 -0.69 1.19 -0.00 -0.80 0.72 115.95 117.43 2hd9 h TRP 13 Ca 0.00 -0.15 -0.08 0.00 -0.00 0.00 0.00 58.89 58.67 2hd9 h TRP 13 Cb 0.75 -0.29 -0.03 0.00 -0.00 0.00 0.00 29.16 29.59 2hd9 h TRP 13 CO 0.00 0.91 0.14 0.93 -0.00 0.00 0.00 178.44 180.42 2hd9 h GLU 14 N 0.93 1.13 -0.48 2.65 4.39 -1.24 -1.23 114.58 120.74 2hd9 h GLU 14 Ca 0.18 -0.29 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 2hd9 h GLU 14 Cb 0.45 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 2hd9 h GLU 14 CO 0.02 1.01 0.19 0.28 -1.16 0.00 0.00 179.01 179.35 2hd9 h VAL 15 N 1.06 1.21 -0.36 3.13 2.07 -1.29 -1.75 116.25 120.33 2hd9 h VAL 15 Ca 0.21 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 67.09 2hd9 h VAL 15 Cb 0.41 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2hd9 h VAL 15 CO 0.01 0.25 0.20 0.40 0.02 0.00 0.00 177.57 178.44 2hd9 h ILE 16 N 0.63 1.02 -0.42 4.57 2.04 -0.58 0.77 117.51 125.54 2hd9 h ILE 16 Ca 0.16 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.84 2hd9 h ILE 16 Cb 0.20 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 2hd9 h ILE 16 CO -0.01 0.07 0.09 0.11 0.00 0.00 0.00 178.15 178.41 2hd9 h LYS 17 N 0.40 0.63 0.14 2.37 1.57 -1.02 0.76 116.57 121.42 2hd9 h LYS 17 Ca 0.14 -0.12 -0.29 0.00 -1.87 0.00 0.00 60.65 58.52 2hd9 h LYS 17 Cb 0.03 -0.10 0.02 0.00 0.08 0.00 0.00 32.23 32.25 2hd9 h LYS 17 CO -0.08 0.59 -1.26 0.00 -0.57 0.00 0.00 179.45 178.13 2hd9 h ARG 18 N 0.62 0.39 0.00 3.15 3.08 -0.86 -3.37 114.38 117.39 2hd9 h ARG 18 Ca 0.14 -0.61 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2hd9 h ARG 18 Cb 0.26 0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2hd9 h ARG 18 CO -0.00 1.27 -1.29 0.72 -1.07 0.00 0.00 179.97 179.60 2hd9 n HIS 19 N -3.63 0.01 -3.63 3.04 8.25 0.22 -5.00 115.22 114.48 2hd9 n HIS 19 Ca -0.11 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.15 2hd9 n HIS 19 Cb 1.01 -0.16 0.05 0.00 1.12 0.00 0.00 29.99 32.01 2hd9 n HIS 19 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2hd9 n ASN 20 N -1.74 -1.48 -3.85 0.41 3.02 0.25 -4.93 115.26 106.94 2hd9 n ASN 20 Ca 0.02 -0.76 -0.15 0.00 -0.03 0.00 0.00 54.58 53.66 2hd9 n ASN 20 Cb 0.40 -4.35 -0.15 0.00 -0.61 0.00 0.00 39.78 35.08 2hd9 n ASN 20 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2hd9 s VAL 21 N -3.58 0.10 -0.17 2.41 1.01 -1.25 -1.94 120.40 116.98 2hd9 s VAL 21 Ca 0.02 0.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 2hd9 s VAL 21 Cb -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.23 2hd9 s VAL 21 CO 0.79 0.07 -0.15 0.86 0.00 0.00 0.00 175.10 176.68 2hd9 s TRP 22 N 0.46 2.80 0.15 5.22 -0.11 -0.88 -4.57 118.94 122.01 2hd9 s TRP 22 Ca -0.04 -1.15 0.06 0.00 1.22 0.00 0.00 56.10 56.19 2hd9 s TRP 22 Cb -0.06 -1.93 -0.04 0.00 -1.50 0.00 0.00 33.47 29.94 2hd9 s TRP 22 CO -0.01 -0.55 -0.13 0.20 -4.62 0.00 0.00 176.95 171.84 2hd9 s GLY 23 N 1.01 1.15 0.07 5.86 0.00 -1.26 -1.40 107.32 112.75 2hd9 s GLY 23 Ca -0.02 -1.44 -0.01 0.00 0.00 0.00 0.00 44.72 43.26 2hd9 s GLY 23 CO -0.03 -1.51 -0.02 -1.34 0.00 0.00 0.00 173.10 170.19 2hd9 s VAL 24 N -2.68 0.27 0.78 1.40 -7.23 -0.30 -4.97 120.40 107.67 2hd9 s VAL 24 Ca 0.14 -1.84 -0.11 0.00 -1.81 0.00 0.00 61.98 58.36 2hd9 s VAL 24 Cb -0.02 -1.63 0.07 0.00 0.56 0.00 0.00 36.38 35.37 2hd9 s VAL 24 CO 0.03 -0.90 1.14 -2.84 -0.31 0.00 0.00 175.10 172.23 2hd9 s PRO 25 N -3.93 2.05 0.27 4.82 0.02 -1.26 -2.99 135.00 133.98 2hd9 s PRO 25 Ca 0.10 0.06 0.01 0.00 0.02 0.00 0.00 61.00 61.19 2hd9 s PRO 25 Cb 0.08 -2.00 0.61 0.00 0.02 0.00 0.00 34.50 33.21 2hd9 s PRO 25 CO -0.07 -1.50 1.73 -0.22 -0.33 0.00 0.00 177.00 176.61 2hd9 h LYS 26 N -0.95 0.51 0.00 5.54 3.64 -1.99 -0.81 116.57 122.51 2hd9 h LYS 26 Ca -0.46 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2hd9 h LYS 26 Cb 1.32 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2hd9 h LYS 26 CO 0.65 0.34 0.00 1.57 -2.27 0.00 0.00 179.45 179.74 2hd9 h LYS 27 N 0.53 0.00 -0.17 1.90 2.10 -2.04 -1.92 116.57 116.97 2hd9 h LYS 27 Ca 0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.15 2hd9 h LYS 27 Cb 0.82 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.15 2hd9 h LYS 27 CO -0.43 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 177.74 2hd9 n HIS 28 N -2.58 0.23 -0.10 0.07 8.25 -0.33 -4.64 115.22 116.12 2hd9 n HIS 28 Ca -0.02 -0.42 0.02 0.00 -0.26 0.00 0.00 57.72 57.04 2hd9 n HIS 28 Cb 0.07 -0.03 0.33 0.00 1.12 0.00 0.00 29.99 31.48 2hd9 n HIS 28 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2hd9 h LYS 29 N 1.20 0.75 -0.83 -0.41 3.64 -1.11 -2.16 116.57 117.66 2hd9 h LYS 29 Ca 0.00 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 2hd9 h LYS 29 Cb 0.58 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 2hd9 h LYS 29 CO 0.00 0.52 0.41 -0.97 -2.27 0.00 0.00 179.45 177.14 2hd9 h ASN 30 N 0.76 1.07 -0.25 4.20 -1.24 -1.82 -0.58 115.58 117.73 2hd9 h ASN 30 Ca 0.20 -0.13 -0.06 0.00 0.71 0.00 0.00 56.30 57.02 2hd9 h ASN 30 Cb -0.04 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.73 2hd9 h ASN 30 CO -0.04 0.90 -0.08 0.74 -1.29 0.00 0.00 177.43 177.66 2hd9 h THR 31 N 1.17 1.29 0.00 -3.57 2.02 -1.75 -2.94 112.91 109.14 2hd9 h THR 31 Ca 0.29 -1.11 -0.02 0.00 0.77 0.00 0.00 66.41 66.34 2hd9 h THR 31 Cb 0.10 1.50 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 2hd9 h THR 31 CO -0.04 0.34 -0.09 0.25 0.37 0.00 0.00 175.52 176.36 2hd9 h LEU 32 N 0.23 0.00 -1.26 2.58 5.85 -1.11 -2.01 115.31 119.58 2hd9 h LEU 32 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2hd9 h LEU 32 Cb 0.56 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.59 2hd9 h LEU 32 CO 0.03 0.09 0.00 -1.54 -0.34 0.00 0.00 178.44 176.68 2hd9 n SER 33 N -4.26 0.62 0.09 1.25 3.41 -0.25 -1.22 113.62 113.25 2hd9 n SER 33 Ca -0.03 0.74 0.12 0.00 -0.26 0.00 0.00 58.87 59.45 2hd9 n SER 33 Cb 0.17 -0.84 0.15 0.00 -0.26 0.00 0.00 64.21 63.43 2hd9 n SER 33 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2hd9 h ARG 34 N 0.00 0.00 -6.80 4.33 3.08 -1.46 -3.47 114.38 110.06 2hd9 h ARG 34 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 2hd9 h ARG 34 Cb 0.11 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.20 2hd9 h ARG 34 CO 0.00 0.00 0.58 0.08 -1.07 0.00 0.00 179.97 179.56 2hd9 s VAL 35 N -3.21 3.13 0.11 2.04 1.01 -0.36 -5.04 120.40 118.08 2hd9 s VAL 35 Ca 0.05 1.07 0.05 0.00 0.00 0.00 0.00 61.98 63.15 2hd9 s VAL 35 Cb 0.12 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 2hd9 s VAL 35 CO 0.72 0.23 -0.12 -0.54 0.00 0.00 0.00 175.10 175.39 2hd9 s LYS 36 N -1.19 0.96 0.31 2.72 -0.14 -1.26 -4.52 119.74 116.63 2hd9 s LYS 36 Ca 0.50 -1.22 -0.29 0.00 -1.36 0.00 0.00 55.97 53.60 2hd9 s LYS 36 Cb -0.36 -0.76 -0.12 0.00 -1.68 0.00 0.00 37.83 34.90 2hd9 s LYS 36 CO 0.45 0.14 1.37 -2.30 -0.76 0.00 0.00 175.35 174.24 2hd9 n PRO 37 N 0.52 2.19 0.00 -1.68 -0.02 -1.26 -1.42 135.00 133.32 2hd9 n PRO 37 Ca -0.15 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2hd9 n PRO 37 Cb 0.57 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2hd9 n PRO 37 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hd9 n GLY 38 N 1.32 2.76 3.71 -1.23 0.00 0.11 -4.98 105.19 106.87 2hd9 n GLY 38 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 2hd9 n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2hd9 s ASP 39 N -0.12 3.91 -0.08 1.61 1.11 -0.51 -4.68 116.67 117.91 2hd9 s ASP 39 Ca 0.00 2.42 -0.00 0.00 0.18 0.00 0.00 52.55 55.15 2hd9 s ASP 39 Cb 0.00 -2.59 -0.03 0.00 1.07 0.00 0.00 42.92 41.36 2hd9 s ASP 39 CO 0.00 -2.46 -0.04 -0.54 1.18 0.00 0.00 175.17 173.31 2hd9 s LYS 40 N -3.94 2.85 -0.16 8.23 -0.14 -0.99 -0.90 119.74 124.69 2hd9 s LYS 40 Ca 0.75 -0.49 0.01 0.00 -1.36 0.00 0.00 55.97 54.88 2hd9 s LYS 40 Cb -0.31 -2.67 0.01 0.00 -1.68 0.00 0.00 37.83 33.18 2hd9 s LYS 40 CO 0.47 0.67 -0.19 -0.51 -0.76 0.00 0.00 175.35 175.04 2hd9 s LEU 41 N -0.82 2.23 -0.24 3.17 1.43 0.73 -1.08 118.68 124.09 2hd9 s LEU 41 Ca 0.13 -0.59 -0.15 0.00 -1.03 0.00 0.00 54.13 52.49 2hd9 s LEU 41 Cb -0.11 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 2hd9 s LEU 41 CO 0.02 0.05 0.38 -0.69 0.23 0.00 0.00 176.35 176.34 2hd9 s VAL 42 N 1.03 5.18 -0.19 -1.59 1.01 0.11 -0.57 120.40 125.38 2hd9 s VAL 42 Ca -0.02 0.63 -0.17 0.00 0.00 0.00 0.00 61.98 62.42 2hd9 s VAL 42 Cb -0.14 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 2hd9 s VAL 42 CO -0.06 0.19 0.45 -0.63 0.00 0.00 0.00 175.10 175.05 2hd9 s ILE 43 N 1.79 5.17 -0.03 2.22 -1.09 0.31 -0.20 121.20 129.36 2hd9 s ILE 43 Ca 0.17 0.82 0.07 0.00 -2.23 0.00 0.00 60.65 59.48 2hd9 s ILE 43 Cb -0.15 -3.78 -0.02 0.00 -1.58 0.00 0.00 42.46 36.93 2hd9 s ILE 43 CO 0.09 0.24 -0.25 -0.47 -1.23 0.00 0.00 174.94 173.32 2hd9 s TYR 44 N 1.29 2.29 -0.10 3.97 6.14 -0.05 -0.86 117.35 130.03 2hd9 s TYR 44 Ca 0.22 -0.54 0.01 0.00 0.64 0.00 0.00 57.07 57.40 2hd9 s TYR 44 Cb -0.15 -1.49 -0.02 0.00 0.42 0.00 0.00 41.96 40.73 2hd9 s TYR 44 CO 0.09 -0.11 -0.14 0.14 0.64 0.00 0.00 175.55 176.17 2hd9 s VAL 45 N -0.40 3.04 1.02 3.14 -7.23 0.22 -0.89 120.40 119.30 2hd9 s VAL 45 Ca 0.04 -0.69 -0.14 0.00 -1.81 0.00 0.00 61.98 59.39 2hd9 s VAL 45 Cb -0.11 -2.25 0.20 0.00 0.56 0.00 0.00 36.38 34.77 2hd9 s VAL 45 CO 0.01 0.55 1.11 0.00 -0.31 0.00 0.00 175.10 176.46 2hd9 s ARG 46 N 0.01 0.29 0.17 4.82 1.70 -0.70 -1.60 118.95 123.64 2hd9 s ARG 46 Ca -0.04 0.33 -0.31 0.00 -0.47 0.00 0.00 55.73 55.24 2hd9 s ARG 46 Cb -0.14 -1.74 -0.10 0.00 -0.57 0.00 0.00 34.95 32.40 2hd9 s ARG 46 CO 0.04 -2.79 1.49 -1.14 -1.08 0.00 0.00 175.30 171.83 2hd9 s GLN 47 N -5.13 4.25 0.36 3.89 0.74 -1.26 -4.39 119.66 118.12 2hd9 s GLN 47 Ca 0.66 2.28 0.05 0.00 0.05 0.00 0.00 55.36 58.40 2hd9 s GLN 47 Cb -0.16 -3.16 -0.03 0.00 1.10 0.00 0.00 33.01 30.76 2hd9 s GLN 47 CO 0.56 -0.52 0.19 -1.21 -0.55 0.00 0.00 175.29 173.76 2hd9 s GLU 48 N 0.75 1.80 -0.01 1.67 2.02 -0.10 -4.97 118.70 119.87 2hd9 s GLU 48 Ca 0.66 -2.07 0.07 0.00 0.02 0.00 0.00 54.97 53.65 2hd9 s GLU 48 Cb -0.42 -0.18 -0.02 0.00 0.10 0.00 0.00 34.13 33.61 2hd9 s GLU 48 CO 0.34 -0.53 -0.21 0.15 0.02 0.00 0.00 175.26 175.02 2hd9 s LYS 49 N -3.65 1.69 0.93 1.61 1.02 -1.26 0.80 119.74 120.89 2hd9 s LYS 49 Ca 0.32 -0.79 -0.14 0.00 0.02 0.00 0.00 55.97 55.37 2hd9 s LYS 49 Cb 0.03 -1.66 0.19 0.00 -0.52 0.00 0.00 37.83 35.87 2hd9 s LYS 49 CO 0.19 0.45 1.29 0.16 -0.92 0.00 0.00 175.35 176.52 2hd9 s ASP 50 N -0.60 3.28 0.55 2.83 1.47 -0.14 -4.86 116.67 119.20 2hd9 s ASP 50 Ca 0.08 0.22 0.24 0.00 1.18 0.00 0.00 52.55 54.27 2hd9 s ASP 50 Cb -0.08 -0.31 1.45 0.00 -0.34 0.00 0.00 42.92 43.64 2hd9 s ASP 50 CO -0.00 -2.62 2.06 0.50 0.68 0.00 0.00 175.17 175.78 2hd9 h LYS 51 N -1.51 0.00 -0.19 2.11 3.64 -2.01 -0.13 116.57 118.48 2hd9 h LYS 51 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 2hd9 h LYS 51 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2hd9 h LYS 51 CO 0.39 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.96 2hd9 n GLU 52 N -4.23 1.76 -0.61 1.90 4.71 -1.26 -4.92 120.64 117.99 2hd9 n GLU 52 Ca 0.04 -1.15 0.00 0.00 -0.01 0.00 0.00 57.16 56.04 2hd9 n GLU 52 Cb 0.41 -1.39 0.00 0.00 -1.01 0.00 0.00 31.44 29.45 2hd9 n GLU 52 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2hd9 n GLY 53 N 1.14 0.70 3.73 0.62 0.00 -0.06 -5.05 105.19 106.27 2hd9 n GLY 53 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2hd9 n GLY 53 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2hd9 s ASN 54 N -2.04 7.41 0.09 1.61 0.01 -1.26 -4.77 114.94 115.99 2hd9 s ASN 54 Ca 0.00 1.69 -0.31 0.00 -0.71 0.00 0.00 52.86 53.53 2hd9 s ASN 54 Cb 0.00 -2.56 -0.06 0.00 0.41 0.00 0.00 41.25 39.04 2hd9 s ASN 54 CO 0.00 -0.08 1.22 -0.22 -1.51 0.00 0.00 177.10 176.52 2hd9 s LEU 55 N 0.15 4.39 -0.35 0.60 2.96 -1.26 -0.96 118.68 124.20 2hd9 s LEU 55 Ca 0.46 2.10 -0.05 0.00 -0.22 0.00 0.00 54.13 56.41 2hd9 s LEU 55 Cb -0.22 -3.59 0.06 0.00 0.50 0.00 0.00 46.19 42.94 2hd9 s LEU 55 CO 0.28 -0.47 0.12 -0.76 -1.32 0.00 0.00 176.35 174.20 2hd9 s LEU 56 N 0.79 4.51 0.67 -0.68 1.43 0.24 -4.94 118.68 120.71 2hd9 s LEU 56 Ca 0.58 -1.36 -0.16 0.00 -1.03 0.00 0.00 54.13 52.15 2hd9 s LEU 56 Cb -0.31 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.07 2hd9 s LEU 56 CO 0.31 -0.38 1.20 -1.61 0.23 0.00 0.00 176.35 176.10 2hd9 s GLU 57 N 1.34 2.51 0.30 1.70 0.41 -1.26 -0.92 118.70 122.78 2hd9 s GLU 57 Ca -0.00 1.75 -0.29 0.00 -0.41 0.00 0.00 54.97 56.02 2hd9 s GLU 57 Cb -0.21 -1.88 -0.10 0.00 -1.78 0.00 0.00 34.13 30.16 2hd9 s GLU 57 CO 0.01 -1.55 1.41 -1.25 -0.49 0.00 0.00 175.26 173.39 2hd9 s PRO 58 N -3.72 4.27 0.02 0.39 0.05 -1.26 -4.67 135.00 130.08 2hd9 s PRO 58 Ca 0.75 2.33 -0.00 0.00 0.05 0.00 0.00 61.00 64.12 2hd9 s PRO 58 Cb -0.29 -3.07 -0.02 0.00 0.05 0.00 0.00 34.50 31.17 2hd9 s PRO 58 CO 0.41 -0.37 -0.03 0.15 0.05 0.00 0.00 177.00 177.21 2hd9 s LYS 59 N -1.14 0.35 -0.12 4.56 1.02 -0.63 -1.39 119.74 122.39 2hd9 s LYS 59 Ca 0.55 -0.67 -0.21 0.00 0.02 0.00 0.00 55.97 55.66 2hd9 s LYS 59 Cb -0.42 0.12 -0.04 0.00 -0.52 0.00 0.00 37.83 36.98 2hd9 s LYS 59 CO 0.50 -0.06 0.59 0.42 -0.92 0.00 0.00 175.35 175.88 2hd9 s ILE 60 N -1.74 5.10 -0.22 2.17 -1.09 -0.48 -0.61 121.20 124.33 2hd9 s ILE 60 Ca -0.13 1.17 0.03 0.00 -2.23 0.00 0.00 60.65 59.48 2hd9 s ILE 60 Cb -0.08 -3.92 -0.00 0.00 -1.58 0.00 0.00 42.46 36.88 2hd9 s ILE 60 CO -0.02 0.24 0.33 1.33 -1.23 0.00 0.00 174.94 175.60 2hd9 n VAL 61 N 4.00 0.00 0.00 2.92 0.24 -0.04 -1.92 118.33 123.53 2hd9 n VAL 61 Ca -0.04 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 2hd9 n VAL 61 Cb 0.51 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.91 2hd9 n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2hd9 n GLY 62 N 0.62 0.21 2.94 7.63 0.00 -1.23 -2.03 105.19 113.33 2hd9 n GLY 62 Ca 0.01 -0.95 -0.21 0.00 0.00 0.00 0.00 46.02 44.87 2hd9 n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hd9 s ILE 63 N -2.00 0.70 0.23 -0.61 1.01 0.14 -0.53 121.20 120.14 2hd9 s ILE 63 Ca 0.00 -0.24 0.08 0.00 0.00 0.00 0.00 60.65 60.49 2hd9 s ILE 63 Cb 0.00 -0.68 -0.05 0.00 0.01 0.00 0.00 42.46 41.74 2hd9 s ILE 63 CO 0.00 0.25 -0.12 -0.31 0.00 0.00 0.00 174.94 174.76 2hd9 s TYR 64 N 0.71 1.82 -0.06 3.97 1.51 0.26 -0.66 117.35 124.90 2hd9 s TYR 64 Ca -0.11 -0.60 0.05 0.00 -1.01 0.00 0.00 57.07 55.39 2hd9 s TYR 64 Cb -0.14 -0.91 -0.02 0.00 -0.11 0.00 0.00 41.96 40.79 2hd9 s TYR 64 CO 0.01 0.35 -0.20 -2.00 -1.11 0.00 0.00 175.55 172.60 2hd9 s GLU 65 N -3.67 2.58 0.09 -0.62 2.12 0.25 -0.19 118.70 119.26 2hd9 s GLU 65 Ca 0.25 -0.80 -0.30 0.00 0.36 0.00 0.00 54.97 54.48 2hd9 s GLU 65 Cb 0.01 -2.29 -0.06 0.00 0.26 0.00 0.00 34.13 32.05 2hd9 s GLU 65 CO 0.09 0.48 1.14 0.08 -0.54 0.00 0.00 175.26 176.51 2hd9 s VAL 66 N -0.37 4.09 -0.61 3.70 1.01 -0.08 -1.06 120.40 127.07 2hd9 s VAL 66 Ca 0.03 1.58 0.05 0.00 0.00 0.00 0.00 61.98 63.64 2hd9 s VAL 66 Cb -0.12 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.28 2hd9 s VAL 66 CO 0.02 0.17 0.61 0.35 0.00 0.00 0.00 175.10 176.25 2hd9 n THR 67 N 3.46 0.00 -4.08 3.92 -2.24 0.29 -0.71 114.28 114.92 2hd9 n THR 67 Ca 0.07 -0.49 -0.10 0.00 -2.27 0.00 0.00 64.05 61.27 2hd9 n THR 67 Cb 0.47 1.10 -0.09 0.00 -2.10 0.00 0.00 70.33 69.71 2hd9 n THR 67 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2hd9 s SER 68 N -0.56 0.22 0.69 3.42 1.04 -1.22 -4.92 113.70 112.37 2hd9 s SER 68 Ca 0.06 -1.08 -0.11 0.00 0.48 0.00 0.00 55.95 55.30 2hd9 s SER 68 Cb 0.04 0.34 0.01 0.00 0.10 0.00 0.00 66.02 66.51 2hd9 s SER 68 CO 0.08 -0.78 1.07 -1.61 0.98 0.00 0.00 173.24 172.98 2hd9 s GLU 69 N -4.01 2.97 0.56 4.02 0.41 -1.26 -4.16 118.70 117.23 2hd9 s GLU 69 Ca 0.21 0.66 -0.21 0.00 -0.41 0.00 0.00 54.97 55.22 2hd9 s GLU 69 Cb 0.06 -2.02 -0.04 0.00 -1.78 0.00 0.00 34.13 30.35 2hd9 s GLU 69 CO 0.00 -1.00 1.35 -2.14 -0.49 0.00 0.00 175.26 172.98 2hd9 s PRO 70 N -5.22 3.07 0.34 0.39 0.02 -1.26 -4.67 135.00 127.67 2hd9 s PRO 70 Ca 0.58 2.21 0.02 0.00 0.02 0.00 0.00 61.00 63.82 2hd9 s PRO 70 Cb -0.12 -2.20 -0.01 0.00 0.02 0.00 0.00 34.50 32.19 2hd9 s PRO 70 CO 0.53 -1.23 0.40 1.52 -0.33 0.00 0.00 177.00 177.89 2hd9 s TYR 71 N -1.32 1.35 -0.09 6.54 1.13 0.25 -4.97 117.35 120.24 2hd9 s TYR 71 Ca 0.73 -1.45 0.03 0.00 -1.41 0.00 0.00 57.07 54.97 2hd9 s TYR 71 Cb -0.40 -0.33 0.01 0.00 -1.10 0.00 0.00 41.96 40.13 2hd9 s TYR 71 CO 0.46 -1.04 -0.18 0.08 -2.51 0.00 0.00 175.55 172.36 2hd9 s VAL 72 N -3.18 1.62 -0.26 -3.49 1.01 -1.26 -1.12 120.40 113.72 2hd9 s VAL 72 Ca 0.35 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.47 2hd9 s VAL 72 Cb 0.01 -1.43 0.11 0.00 0.00 0.00 0.00 36.38 35.06 2hd9 s VAL 72 CO 0.23 0.46 0.59 -0.62 0.00 0.00 0.00 175.10 175.76 2hd9 s ASP 73 N 0.55 -0.86 -0.08 3.32 -1.08 -0.21 -5.01 116.67 113.30 2hd9 s ASP 73 Ca -0.16 1.38 0.15 0.00 -0.52 0.00 0.00 52.55 53.40 2hd9 s ASP 73 Cb -0.17 1.78 0.57 0.00 -1.46 0.00 0.00 42.92 43.64 2hd9 s ASP 73 CO 0.05 -0.22 1.45 0.49 0.52 0.00 0.00 175.17 177.46 2hd9 n PHE 74 N 5.10 1.16 -1.72 -5.34 3.72 -1.26 -4.14 117.46 114.99 2hd9 n PHE 74 Ca -0.14 -0.47 -0.42 0.00 -0.05 0.00 0.00 57.45 56.37 2hd9 n PHE 74 Cb 0.52 -0.19 -0.01 0.00 -0.94 0.00 0.00 39.48 38.86 2hd9 n PHE 74 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2hd9 n SER 75 N 0.87 3.06 -4.49 4.37 3.41 -1.26 -4.88 113.62 114.70 2hd9 n SER 75 Ca 0.20 1.21 -0.42 0.00 -0.26 0.00 0.00 58.87 59.60 2hd9 n SER 75 Cb 0.72 -1.52 -0.03 0.00 -0.26 0.00 0.00 64.21 63.11 2hd9 n SER 75 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2hd9 s ARG 76 N -1.85 3.37 0.00 4.33 0.52 -1.26 -4.68 118.95 119.39 2hd9 s ARG 76 Ca 0.55 -1.06 0.00 0.00 -0.52 0.00 0.00 55.73 54.70 2hd9 s ARG 76 Cb -0.55 -4.68 0.00 0.00 0.52 0.00 0.00 34.95 30.24 2hd9 s ARG 76 CO 0.62 -1.95 0.00 0.44 0.02 0.00 0.00 175.30 174.42 2hd9 n ILE 77 N 6.11 0.00 -3.14 1.52 -5.35 -1.26 -5.06 119.36 112.17 2hd9 n ILE 77 Ca 0.14 0.00 -0.28 0.00 -0.27 0.00 0.00 62.75 62.34 2hd9 n ILE 77 Cb 0.48 -0.94 -0.02 0.00 -1.74 0.00 0.00 39.64 37.43 2hd9 n ILE 77 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2hd9 s PHE 78 N -2.00 3.50 -0.33 4.28 0.08 -1.26 -4.93 117.98 117.32 2hd9 s PHE 78 Ca 0.00 0.67 -0.14 0.00 0.12 0.00 0.00 56.93 57.58 2hd9 s PHE 78 Cb 0.00 -2.14 -0.02 0.00 -0.57 0.00 0.00 43.02 40.29 2hd9 s PHE 78 CO 0.00 0.03 0.32 0.21 -0.10 0.00 0.00 175.22 175.68 2hd9 s LYS 79 N -3.99 3.62 -0.37 0.44 2.47 -1.26 -4.96 119.74 115.70 2hd9 s LYS 79 Ca 0.45 -0.42 -0.41 0.00 -1.56 0.00 0.00 55.97 54.03 2hd9 s LYS 79 Cb -0.10 -3.78 -0.16 0.00 -1.46 0.00 0.00 37.83 32.33 2hd9 s LYS 79 CO 0.34 -0.45 1.85 -2.30 0.16 0.00 0.00 175.35 174.95 2hd9 n PRO 80 N 5.29 0.75 0.01 4.03 -0.02 -1.26 -4.81 135.00 138.99 2hd9 n PRO 80 Ca -0.10 0.26 0.08 0.00 -2.02 0.00 0.00 63.50 61.71 2hd9 n PRO 80 Cb 0.50 -1.96 0.33 0.00 -0.02 0.00 0.00 33.50 32.35 2hd9 n PRO 80 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2hd9 n HIS 81 N 6.19 0.07 -1.53 6.00 1.44 -1.26 -2.63 115.22 123.51 2hd9 n HIS 81 Ca 0.34 0.03 0.07 0.00 -2.01 0.00 0.00 57.72 56.15 2hd9 n HIS 81 Cb 0.08 -0.55 0.14 0.00 0.12 0.00 0.00 29.99 29.79 2hd9 n HIS 81 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2hd9 n ARG 82 N -1.57 1.12 -1.01 -1.40 1.74 -1.26 -4.98 116.66 109.31 2hd9 n ARG 82 Ca 0.03 -2.63 -0.00 0.00 -0.77 0.00 0.00 57.85 54.49 2hd9 n ARG 82 Cb 0.18 -1.28 -0.00 0.00 -1.02 0.00 0.00 32.46 30.34 2hd9 n ARG 82 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hd9 n GLY 83 N -0.95 0.40 0.00 -0.13 0.00 -1.08 -5.02 105.19 98.41 2hd9 n GLY 83 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2hd9 n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hd9 n GLY 84 N -2.09 1.29 0.05 -0.02 0.00 -1.26 -5.02 105.19 98.15 2hd9 n GLY 84 Ca -0.00 -1.61 0.03 0.00 0.00 0.00 0.00 46.02 44.44 2hd9 n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hd9 n LYS 85 N 0.00 1.92 -1.59 1.61 5.02 -1.26 -4.71 118.16 119.15 2hd9 n LYS 85 Ca 0.00 -1.66 -0.47 0.00 -2.02 0.00 0.00 58.31 54.16 2hd9 n LYS 85 Cb 0.00 -1.05 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 2hd9 n LYS 85 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2hd9 n GLU 86 N -0.68 1.32 -0.00 1.97 4.07 -1.26 -4.93 120.64 121.12 2hd9 n GLU 86 Ca 0.05 0.47 0.06 0.00 -0.06 0.00 0.00 57.16 57.68 2hd9 n GLU 86 Cb 0.43 -1.94 -0.08 0.00 -0.06 0.00 0.00 31.44 29.79 2hd9 n GLU 86 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2hd9 n THR 87 N 1.13 0.00 -3.58 6.31 -2.24 -1.26 -4.38 114.28 110.26 2hd9 n THR 87 Ca 0.13 -0.20 -0.27 0.00 -2.27 0.00 0.00 64.05 61.44 2hd9 n THR 87 Cb 0.28 0.88 0.05 0.00 -2.10 0.00 0.00 70.33 69.44 2hd9 n THR 87 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2hd9 n TYR 88 N -1.41 -2.06 0.17 4.78 4.01 -1.26 -4.73 117.16 116.66 2hd9 n TYR 88 Ca 0.02 0.56 0.04 0.00 -0.16 0.00 0.00 57.90 58.36 2hd9 n TYR 88 Cb 0.23 -3.57 0.24 0.00 -0.31 0.00 0.00 39.34 35.93 2hd9 n TYR 88 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2hd9 h PRO 89 N -1.60 0.00 -5.52 -0.72 0.13 -1.71 -3.33 132.00 119.25 2hd9 h PRO 89 Ca -0.63 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 63.88 2hd9 h PRO 89 Cb 1.34 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.34 2hd9 h PRO 89 CO 0.46 0.44 0.16 0.71 -0.23 0.00 0.00 178.00 179.54 2hd9 s TYR 90 N -3.41 3.20 0.14 1.56 2.02 -1.16 -1.04 117.35 118.65 2hd9 s TYR 90 Ca 0.01 0.54 0.03 0.00 -0.37 0.00 0.00 57.07 57.27 2hd9 s TYR 90 Cb 0.10 -3.05 -0.04 0.00 -0.40 0.00 0.00 41.96 38.57 2hd9 s TYR 90 CO 0.71 -0.52 -0.05 1.03 -1.57 0.00 0.00 175.55 175.14 2hd9 s ARG 91 N 2.66 1.01 0.04 -0.62 0.52 -0.27 -1.15 118.95 121.14 2hd9 s ARG 91 Ca 0.25 -1.45 0.05 0.00 -0.52 0.00 0.00 55.73 54.06 2hd9 s ARG 91 Cb -0.15 -0.37 -0.02 0.00 0.52 0.00 0.00 34.95 34.93 2hd9 s ARG 91 CO 0.13 -0.03 -0.14 0.14 0.02 0.00 0.00 175.30 175.42 2hd9 s VAL 92 N -3.53 1.08 0.48 3.52 -7.23 -0.49 -0.59 120.40 113.63 2hd9 s VAL 92 Ca 0.18 -0.97 -0.20 0.00 -1.81 0.00 0.00 61.98 59.18 2hd9 s VAL 92 Cb 0.05 -0.98 -0.09 0.00 0.56 0.00 0.00 36.38 35.92 2hd9 s VAL 92 CO 0.00 0.01 1.02 -0.54 -0.31 0.00 0.00 175.10 175.28 2hd9 s LYS 93 N -1.10 3.88 0.22 4.82 -0.14 -1.26 -2.06 119.74 124.11 2hd9 s LYS 93 Ca 0.01 1.30 -0.03 0.00 -1.36 0.00 0.00 55.97 55.90 2hd9 s LYS 93 Cb -0.08 -2.11 -0.03 0.00 -1.68 0.00 0.00 37.83 33.93 2hd9 s LYS 93 CO 0.01 -0.35 0.22 0.96 -0.76 0.00 0.00 175.35 175.43 2hd9 s ILE 94 N -2.04 0.00 -0.02 2.17 -4.36 -0.82 -0.55 121.20 115.59 2hd9 s ILE 94 Ca 0.66 -1.86 -0.04 0.00 -0.26 0.00 0.00 60.65 59.15 2hd9 s ILE 94 Cb -0.15 -2.44 0.00 0.00 1.25 0.00 0.00 42.46 41.12 2hd9 s ILE 94 CO 0.19 0.00 0.08 -1.59 0.24 0.00 0.00 174.94 173.86 2hd9 s LYS 95 N -4.07 0.23 0.44 0.37 -2.85 -0.23 -4.75 119.74 108.90 2hd9 s LYS 95 Ca 0.35 -0.12 -0.23 0.00 -1.00 0.00 0.00 55.97 54.97 2hd9 s LYS 95 Cb 0.05 0.10 -0.08 0.00 -2.06 0.00 0.00 37.83 35.84 2hd9 s LYS 95 CO 0.12 -0.04 1.14 -1.25 0.10 0.00 0.00 175.35 175.42 2hd9 s PRO 96 N -0.54 3.86 -0.05 1.78 0.04 -1.26 -0.58 135.00 138.25 2hd9 s PRO 96 Ca -0.06 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 62.70 2hd9 s PRO 96 Cb -0.04 -2.46 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 2hd9 s PRO 96 CO 0.00 -0.45 -0.05 -0.89 0.04 0.00 0.00 177.00 175.65 2hd9 n ILE 97 N -0.36 0.26 -3.72 0.56 2.08 0.17 -4.82 119.36 113.53 2hd9 n ILE 97 Ca 0.07 -0.08 -0.12 0.00 0.56 0.00 0.00 62.75 63.17 2hd9 n ILE 97 Cb 0.48 -1.10 -0.12 0.00 -0.75 0.00 0.00 39.64 38.16 2hd9 n ILE 97 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2hd9 s LYS 98 N -2.09 0.30 -0.17 0.38 2.20 -0.72 -4.98 119.74 114.66 2hd9 s LYS 98 Ca -0.06 0.60 0.01 0.00 -0.36 0.00 0.00 55.97 56.16 2hd9 s LYS 98 Cb 0.02 -0.03 0.02 0.00 -1.51 0.00 0.00 37.83 36.33 2hd9 s LYS 98 CO 0.09 -0.14 -0.17 0.42 -0.36 0.00 0.00 175.35 175.20 2hd9 s ILE 99 N 1.10 1.84 0.00 5.43 -1.09 -1.26 -0.69 121.20 126.53 2hd9 s ILE 99 Ca -0.08 -0.83 0.00 0.00 -2.23 0.00 0.00 60.65 57.52 2hd9 s ILE 99 Cb -0.08 -1.70 0.00 0.00 -1.58 0.00 0.00 42.46 39.10 2hd9 s ILE 99 CO -0.08 0.48 0.00 0.61 -1.23 0.00 0.00 174.94 174.71 2hd9 n GLY 100 N 4.68 4.24 3.15 6.18 0.00 -0.86 -4.95 105.19 117.63 2hd9 n GLY 100 Ca -0.19 -0.81 0.05 0.00 0.00 0.00 0.00 46.02 45.07 2hd9 n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hd9 s GLU 101 N 1.82 0.25 -0.00 1.61 -6.30 -1.25 -4.45 118.70 110.38 2hd9 s GLU 101 Ca 0.00 0.24 0.04 0.00 -2.50 0.00 0.00 54.97 52.76 2hd9 s GLU 101 Cb 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 34.13 34.23 2hd9 s GLU 101 CO 0.00 -0.46 -0.14 0.96 0.02 0.00 0.00 175.26 175.63 2hd9 s ILE 102 N 2.92 1.12 0.28 -3.70 -4.36 -0.81 -4.96 121.20 111.69 2hd9 s ILE 102 Ca 0.23 -0.68 -0.30 0.00 -0.26 0.00 0.00 60.65 59.65 2hd9 s ILE 102 Cb -0.04 -0.95 -0.11 0.00 1.25 0.00 0.00 42.46 42.62 2hd9 s ILE 102 CO -0.24 0.26 1.52 0.20 0.24 0.00 0.00 174.94 176.92 2hd9 s ASN 103 N -0.48 6.50 -0.00 4.36 0.01 -1.26 -1.38 114.94 122.68 2hd9 s ASN 103 Ca 0.05 2.83 -0.18 0.00 -0.71 0.00 0.00 52.86 54.85 2hd9 s ASN 103 Cb -0.06 -2.63 -0.34 0.00 0.41 0.00 0.00 41.25 38.63 2hd9 s ASN 103 CO -0.00 -0.81 0.96 0.15 -1.51 0.00 0.00 177.10 175.88 2hd9 h PHE 104 N 4.76 0.82 -0.82 2.20 3.57 -1.56 -3.38 116.94 122.53 2hd9 h PHE 104 Ca -0.47 -0.59 0.20 0.00 3.53 0.00 0.00 57.97 60.64 2hd9 h PHE 104 Cb 1.22 -0.03 -0.13 0.00 2.79 0.00 0.00 35.95 39.80 2hd9 h PHE 104 CO 0.59 1.46 0.16 0.87 -2.23 0.00 0.00 178.31 179.16 2hd9 h LYS 105 N -0.06 0.19 0.00 1.11 1.57 -1.92 0.14 116.57 117.59 2hd9 h LYS 105 Ca -0.21 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2hd9 h LYS 105 Cb 1.96 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.23 2hd9 h LYS 105 CO 0.23 0.13 0.00 -2.30 -0.57 0.00 0.00 179.45 176.93 2hd9 n PRO 106 N -5.24 0.17 -0.00 3.15 -0.02 -1.26 -2.71 135.00 129.08 2hd9 n PRO 106 Ca 0.18 0.14 0.11 0.00 -2.02 0.00 0.00 63.50 61.90 2hd9 n PRO 106 Cb 0.57 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.41 2hd9 n PRO 106 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2hd9 n LEU 107 N -1.19 0.45 -0.32 2.45 4.32 0.49 -4.45 117.00 118.74 2hd9 n LEU 107 Ca 0.05 -0.21 0.12 0.00 -0.02 0.00 0.00 56.01 55.95 2hd9 n LEU 107 Cb 0.06 -0.00 0.34 0.00 -1.62 0.00 0.00 43.42 42.19 2hd9 n LEU 107 CO 0.06 0.11 1.22 0.16 -1.22 0.00 0.00 177.39 177.71 2hd9 h ILE 108 N 0.00 0.79 0.00 -0.08 3.07 -1.60 -1.09 117.51 118.59 2hd9 h ILE 108 Ca 0.00 -0.26 -0.01 0.00 1.55 0.00 0.00 64.86 66.14 2hd9 h ILE 108 Cb 0.78 -0.04 -0.00 0.00 -0.27 0.00 0.00 36.82 37.29 2hd9 h ILE 108 CO 0.00 0.14 -0.03 0.78 -1.05 0.00 0.00 178.15 177.99 2hd9 h ASN 109 N 0.76 0.00 -0.18 2.16 2.35 -1.84 -2.57 115.58 116.25 2hd9 h ASN 109 Ca 0.51 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.26 2hd9 h ASN 109 Cb 0.79 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.16 2hd9 h ASN 109 CO -0.28 0.03 0.00 0.47 -1.65 0.00 0.00 177.43 176.00 2hd9 n ASP 110 N -3.31 2.39 -4.50 5.81 8.00 -0.44 -4.92 116.55 119.58 2hd9 n ASP 110 Ca -0.02 -1.78 -0.40 0.00 0.71 0.00 0.00 54.79 53.30 2hd9 n ASP 110 Cb 0.16 -0.12 -0.11 0.00 -0.02 0.00 0.00 41.12 41.04 2hd9 n ASP 110 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2hd9 s LEU 111 N -0.91 4.52 0.41 0.64 1.43 -0.97 -4.91 118.68 118.89 2hd9 s LEU 111 Ca 0.16 -0.51 0.07 0.00 -1.03 0.00 0.00 54.13 52.82 2hd9 s LEU 111 Cb 0.09 -2.11 0.87 0.00 0.03 0.00 0.00 46.19 45.06 2hd9 s LEU 111 CO 0.12 -0.26 2.06 0.50 0.23 0.00 0.00 176.35 179.00 2hd9 h LYS 112 N 8.48 0.53 0.00 1.70 3.64 -1.91 -2.08 116.57 126.93 2hd9 h LYS 112 Ca -0.31 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2hd9 h LYS 112 Cb 1.15 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 2hd9 h LYS 112 CO 0.64 0.35 0.00 0.27 -2.27 0.00 0.00 179.45 178.44 2hd9 h PHE 113 N 0.55 0.00 -2.37 1.91 -0.00 -1.93 -3.33 116.94 111.77 2hd9 h PHE 113 Ca 0.16 0.00 -0.69 0.00 -0.00 0.00 0.00 57.97 57.44 2hd9 h PHE 113 Cb -0.04 0.00 -0.17 0.00 -0.00 0.00 0.00 35.95 35.74 2hd9 h PHE 113 CO -0.00 0.00 0.86 0.42 -0.00 0.00 0.00 178.31 179.59 2hd9 s ILE 114 N -3.50 4.72 0.10 0.88 -1.09 -0.78 -4.80 121.20 116.72 2hd9 s ILE 114 Ca 0.02 -1.58 -0.12 0.00 -2.23 0.00 0.00 60.65 56.73 2hd9 s ILE 114 Cb 0.09 -4.79 -0.17 0.00 -1.58 0.00 0.00 42.46 36.01 2hd9 s ILE 114 CO 0.40 -1.52 1.29 0.11 -1.23 0.00 0.00 174.94 173.99 2hd9 h LYS 115 N 8.82 0.77 -4.03 2.79 1.57 -1.83 -3.40 116.57 121.26 2hd9 h LYS 115 Ca 0.16 -0.66 -0.77 0.00 -1.87 0.00 0.00 60.65 57.51 2hd9 h LYS 115 Cb 1.02 0.15 -0.25 0.00 0.08 0.00 0.00 32.23 33.23 2hd9 h LYS 115 CO 1.12 1.26 0.17 -0.80 -0.57 0.00 0.00 179.45 180.63 2hd9 s ASN 116 N -7.14 6.69 0.24 0.86 0.01 -1.26 -4.92 114.94 109.41 2hd9 s ASN 116 Ca -0.10 -2.51 -0.05 0.00 -0.71 0.00 0.00 52.86 49.49 2hd9 s ASN 116 Cb 0.08 -2.24 0.24 0.00 0.41 0.00 0.00 41.25 39.75 2hd9 s ASN 116 CO 0.91 -0.67 1.76 0.11 -1.51 0.00 0.00 177.10 177.69 2hd9 h LYS 117 N 8.03 0.98 -0.18 -0.60 1.79 -1.95 -2.74 116.57 121.91 2hd9 h LYS 117 Ca 0.07 -0.23 -0.04 0.00 -2.18 0.00 0.00 60.65 58.27 2hd9 h LYS 117 Cb 1.04 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.55 2hd9 h LYS 117 CO 0.83 0.89 -0.08 0.87 -1.08 0.00 0.00 179.45 180.87 2hd9 h LYS 118 N 0.93 0.27 -2.08 3.15 1.79 -1.97 -3.23 116.57 115.42 2hd9 h LYS 118 Ca 0.19 -0.05 -0.55 0.00 -2.18 0.00 0.00 60.65 58.05 2hd9 h LYS 118 Cb 0.37 -0.04 -0.40 0.00 -1.58 0.00 0.00 32.23 30.58 2hd9 h LYS 118 CO 0.01 0.37 -0.95 -2.13 -1.08 0.00 0.00 179.45 175.66 2hd9 n ARG 119 N -4.30 1.54 -0.13 3.15 0.63 -1.15 -4.94 116.66 111.45 2hd9 n ARG 119 Ca -0.00 -3.82 0.20 0.00 -0.92 0.00 0.00 57.85 53.31 2hd9 n ARG 119 Cb 0.24 -1.71 0.60 0.00 0.45 0.00 0.00 32.46 32.04 2hd9 n ARG 119 CO 0.00 0.00 0.00 0.11 -2.51 0.00 0.00 177.63 175.23 2hd9 h TRP 120 N 3.64 0.26 -0.06 -0.14 5.08 -1.51 -1.93 115.95 121.29 2hd9 h TRP 120 Ca 0.11 0.01 0.02 0.00 1.08 0.00 0.00 58.89 60.11 2hd9 h TRP 120 Cb 0.80 -0.08 -0.00 0.00 -3.00 0.00 0.00 29.16 26.88 2hd9 h TRP 120 CO 0.54 0.09 0.11 0.66 -1.28 0.00 0.00 178.44 178.56 2hd9 h SER 121 N 0.21 0.00 0.31 0.11 4.64 -1.92 -1.73 113.55 115.17 2hd9 h SER 121 Ca 0.36 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.68 2hd9 h SER 121 Cb 1.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2hd9 h SER 121 CO -0.07 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 175.85 2hd9 h MET 122 N 0.00 0.00 -0.00 4.77 -0.00 -1.71 -0.49 114.93 117.51 2hd9 h MET 122 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.73 2hd9 h MET 122 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.85 2hd9 h MET 122 CO -0.00 0.04 -0.02 0.72 -0.00 0.00 0.00 176.91 177.65 2hd9 n HIS 123 N -3.34 0.00 -0.03 -0.10 8.25 -0.65 -3.57 115.22 115.78 2hd9 n HIS 123 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 2hd9 n HIS 123 Cb 0.17 -0.44 -0.09 0.00 1.12 0.00 0.00 29.99 30.75 2hd9 n HIS 123 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2hd9 n PHE 124 N -1.45 0.00 -1.69 4.41 3.01 -0.28 -4.93 117.46 116.54 2hd9 n PHE 124 Ca 0.09 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 58.10 2hd9 n PHE 124 Cb 0.32 -0.42 -0.04 0.00 -0.01 0.00 0.00 39.48 39.33 2hd9 n PHE 124 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2hd9 n PHE 125 N -2.19 2.45 -2.53 1.38 7.35 -0.65 -2.33 117.46 120.95 2hd9 n PHE 125 Ca -0.11 0.19 -0.19 0.00 -0.76 0.00 0.00 57.45 56.58 2hd9 n PHE 125 Cb 0.62 -2.59 0.00 0.00 0.35 0.00 0.00 39.48 37.87 2hd9 n PHE 125 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2hd9 n GLY 126 N 3.58 -0.39 3.07 7.13 0.00 -1.26 -5.00 105.19 112.32 2hd9 n GLY 126 Ca 0.16 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 2hd9 n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hd9 s LYS 127 N -5.11 0.54 -0.16 1.61 -0.14 -0.98 -5.03 119.74 110.46 2hd9 s LYS 127 Ca 0.08 -0.77 0.10 0.00 -1.36 0.00 0.00 55.97 54.02 2hd9 s LYS 127 Cb -0.04 -0.31 -0.17 0.00 -1.68 0.00 0.00 37.83 35.63 2hd9 s LYS 127 CO 0.10 0.05 -0.01 0.00 -0.76 0.00 0.00 175.35 174.73 2hd9 n ALA 128 N 1.45 1.62 -3.47 5.17 0.00 -1.26 -4.81 120.51 119.20 2hd9 n ALA 128 Ca -0.23 -0.95 -0.12 0.00 0.00 0.00 0.00 53.44 52.14 2hd9 n ALA 128 Cb 0.55 -0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 2hd9 n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hd9 s MET 129 N -2.37 1.08 0.05 0.00 0.23 -1.26 -0.41 119.30 116.62 2hd9 s MET 129 Ca -0.13 -0.23 -0.17 0.00 -1.03 0.00 0.00 55.69 54.13 2hd9 s MET 129 Cb 0.05 0.50 0.03 0.00 -1.53 0.00 0.00 34.83 33.89 2hd9 s MET 129 CO 0.57 -0.44 0.40 -0.98 -2.03 0.00 0.00 175.02 172.54 2hd9 s ARG 130 N -2.86 0.92 0.31 3.16 1.70 -0.73 -4.98 118.95 116.48 2hd9 s ARG 130 Ca -0.01 -0.43 -0.29 0.00 -0.47 0.00 0.00 55.73 54.53 2hd9 s ARG 130 Cb -0.01 0.41 -0.10 0.00 -0.57 0.00 0.00 34.95 34.68 2hd9 s ARG 130 CO -0.06 -0.32 1.26 -2.00 -1.08 0.00 0.00 175.30 173.09 2hd9 s GLU 131 N -2.66 4.43 -0.13 3.89 2.12 -1.26 -0.98 118.70 124.11 2hd9 s GLU 131 Ca -0.04 2.11 -0.02 0.00 0.36 0.00 0.00 54.97 57.38 2hd9 s GLU 131 Cb -0.00 -3.10 -0.03 0.00 0.26 0.00 0.00 34.13 31.25 2hd9 s GLU 131 CO -0.04 -0.09 -0.05 -0.51 -0.54 0.00 0.00 175.26 174.04 2hd9 s LEU 132 N -1.66 3.24 0.61 2.70 1.43 0.48 -4.83 118.68 120.66 2hd9 s LEU 132 Ca 0.48 -0.08 -0.18 0.00 -1.03 0.00 0.00 54.13 53.32 2hd9 s LEU 132 Cb -0.38 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 2hd9 s LEU 132 CO 0.50 0.24 1.19 -2.84 0.23 0.00 0.00 176.35 175.67 2hd9 s PRO 133 N -0.06 2.91 0.28 1.29 0.02 -1.26 -4.28 135.00 133.90 2hd9 s PRO 133 Ca 0.01 1.76 0.02 0.00 0.02 0.00 0.00 61.00 62.82 2hd9 s PRO 133 Cb -0.13 -1.93 0.60 0.00 0.02 0.00 0.00 34.50 33.06 2hd9 s PRO 133 CO 0.03 -1.24 1.80 1.49 -0.33 0.00 0.00 177.00 178.75 2hd9 h GLU 134 N 0.73 0.82 -0.48 5.54 4.81 -1.99 -0.94 114.58 123.07 2hd9 h GLU 134 Ca -0.50 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.65 2hd9 h GLU 134 Cb 1.29 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 2hd9 h GLU 134 CO 0.55 0.54 0.17 1.05 -0.73 0.00 0.00 179.01 180.58 2hd9 h GLU 135 N 0.84 0.70 -0.38 1.92 4.11 -2.00 -0.93 114.58 118.85 2hd9 h GLU 135 Ca 0.51 -0.11 -0.10 0.00 0.07 0.00 0.00 59.36 59.73 2hd9 h GLU 135 Cb 0.64 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2hd9 h GLU 135 CO -0.32 0.60 -0.16 -0.44 0.07 0.00 0.00 179.01 178.75 2hd9 h ASP 136 N 0.69 0.79 -0.22 3.06 3.32 -1.54 -2.23 116.42 120.29 2hd9 h ASP 136 Ca 0.16 -0.40 -0.00 0.00 0.02 0.00 0.00 57.03 56.82 2hd9 h ASP 136 Cb 0.18 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2hd9 h ASP 136 CO -0.01 1.01 0.14 0.22 -1.72 0.00 0.00 179.24 178.88 2hd9 h TYR 137 N 0.57 0.29 -0.85 4.55 3.20 -0.94 -1.86 116.97 121.92 2hd9 h TYR 137 Ca 0.09 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.02 2hd9 h TYR 137 Cb 0.70 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.82 2hd9 h TYR 137 CO 0.06 0.23 0.53 -0.22 -1.64 0.00 0.00 178.16 177.11 2hd9 h LYS 138 N 0.28 0.93 -0.22 1.82 3.64 -1.08 0.55 116.57 122.48 2hd9 h LYS 138 Ca 0.08 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 2hd9 h LYS 138 Cb 0.02 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 2hd9 h LYS 138 CO -0.02 0.61 0.03 1.25 -2.27 0.00 0.00 179.45 179.06 2hd9 h LEU 139 N 0.95 0.35 -0.47 5.20 5.85 -1.17 -2.38 115.31 123.64 2hd9 h LEU 139 Ca 0.38 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 2hd9 h LEU 139 Cb 0.19 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2hd9 h LEU 139 CO -0.18 0.53 0.23 0.40 -0.34 0.00 0.00 178.44 179.07 2hd9 h ILE 140 N 0.16 1.19 -0.84 4.05 2.04 -0.89 -1.94 117.51 121.27 2hd9 h ILE 140 Ca 0.07 -0.53 0.05 0.00 1.00 0.00 0.00 64.86 65.45 2hd9 h ILE 140 Cb 0.33 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 2hd9 h ILE 140 CO 0.00 0.20 0.53 -0.08 0.00 0.00 0.00 178.15 178.81 2hd9 h GLU 141 N 0.61 0.96 -0.32 2.37 4.22 -0.86 0.19 114.58 121.76 2hd9 h GLU 141 Ca 0.16 -0.06 -0.12 0.00 0.08 0.00 0.00 59.36 59.43 2hd9 h GLU 141 Cb 0.12 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2hd9 h GLU 141 CO -0.02 0.63 -0.29 -0.22 -2.18 0.00 0.00 179.01 176.93 2hd9 h LYS 142 N 0.99 0.66 0.00 1.92 1.63 -1.17 -3.19 116.57 117.40 2hd9 h LYS 142 Ca 0.36 -0.28 -0.12 0.00 -0.85 0.00 0.00 60.65 59.75 2hd9 h LYS 142 Cb 0.11 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 2hd9 h LYS 142 CO -0.15 0.87 -0.67 -0.07 -3.45 0.00 0.00 179.45 175.97 2hd9 h LEU 143 N 0.56 0.00 -8.29 5.20 3.38 -0.78 -3.42 115.31 111.97 2hd9 h LEU 143 Ca 0.07 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.49 2hd9 h LEU 143 Cb 0.78 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.45 2hd9 h LEU 143 CO 0.06 0.56 1.20 -0.22 0.09 0.00 0.00 178.44 180.13 2hd9 s LEU 144 N -6.39 3.27 0.00 1.67 2.96 0.00 -4.95 118.68 115.25 2hd9 s LEU 144 Ca 0.03 -0.72 0.31 0.00 -0.22 0.00 0.00 54.13 53.53 2hd9 s LEU 144 Cb 0.08 -2.56 1.71 0.00 0.50 0.00 0.00 46.19 45.92 2hd9 s LEU 144 CO 0.76 -1.80 2.12 0.18 -1.32 0.00 0.00 176.35 176.28