#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dx9 n LYS 3 N 0.00 2.00 -4.42 0.00 4.81 -1.26 -4.94 118.16 114.36 3dx9 n LYS 3 Ca 0.00 -1.58 -0.30 0.00 -0.87 0.00 0.00 58.31 55.56 3dx9 n LYS 3 Cb 0.00 -1.47 -0.11 0.00 0.02 0.00 0.00 35.03 33.47 3dx9 n LYS 3 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 3dx9 s THR 4 N -2.09 3.04 -0.01 3.15 -4.23 -1.26 -4.36 115.64 109.87 3dx9 s THR 4 Ca 0.28 -1.27 0.04 0.00 -1.18 0.00 0.00 61.69 59.57 3dx9 s THR 4 Cb 0.20 -2.36 -0.01 0.00 1.34 0.00 0.00 72.50 71.67 3dx9 s THR 4 CO 0.35 0.21 -0.14 -0.89 -0.54 0.00 0.00 174.62 173.61 3dx9 s THR 5 N -1.08 1.14 0.03 3.99 2.01 0.11 -4.96 115.64 116.89 3dx9 s THR 5 Ca 0.18 -0.61 -0.03 0.00 0.31 0.00 0.00 61.69 61.54 3dx9 s THR 5 Cb -0.11 -0.95 -0.02 0.00 0.01 0.00 0.00 72.50 71.43 3dx9 s THR 5 CO 0.09 0.32 0.03 -1.10 -0.69 0.00 0.00 174.62 173.27 3dx9 s GLN 6 N -0.32 0.48 0.38 4.92 -0.21 -1.26 -0.77 119.66 122.88 3dx9 s GLN 6 Ca 0.05 -0.75 -0.27 0.00 0.02 0.00 0.00 55.36 54.41 3dx9 s GLN 6 Cb -0.06 0.18 -0.10 0.00 1.00 0.00 0.00 33.01 34.03 3dx9 s GLN 6 CO -0.00 -0.10 1.38 -2.14 -2.12 0.00 0.00 175.29 172.30 3dx9 s PRO 8 N -2.29 4.11 0.17 2.91 0.02 -1.26 -4.91 135.00 133.75 3dx9 s PRO 8 Ca -0.08 2.34 -0.10 0.00 0.02 0.00 0.00 61.00 63.18 3dx9 s PRO 8 Cb -0.03 -2.92 0.05 0.00 0.02 0.00 0.00 34.50 31.62 3dx9 s PRO 8 CO -0.04 -0.44 1.62 1.79 -0.33 0.00 0.00 177.00 179.61 3dx9 h THR 9 N 2.80 1.27 -3.84 0.99 1.35 -1.96 -3.31 112.91 110.21 3dx9 h THR 9 Ca -0.50 -1.20 -0.10 0.00 -0.55 0.00 0.00 66.41 64.06 3dx9 h THR 9 Cb 1.24 0.87 -0.12 0.00 -1.73 0.00 0.00 68.15 68.41 3dx9 h THR 9 CO 0.64 0.43 -0.30 -0.94 -0.25 0.00 0.00 175.52 175.10 3dx9 s SER 10 N -6.59 0.02 -0.27 5.36 1.04 -1.26 -0.83 113.70 111.17 3dx9 s SER 10 Ca -0.12 -0.83 -0.16 0.00 0.48 0.00 0.00 55.95 55.31 3dx9 s SER 10 Cb 0.13 0.44 0.08 0.00 0.10 0.00 0.00 66.02 66.77 3dx9 s SER 10 CO 0.86 -0.90 0.68 -0.32 0.98 0.00 0.00 173.24 174.54 3dx9 s MET 11 N -3.96 0.71 0.32 4.02 0.00 -0.43 -4.88 119.30 115.08 3dx9 s MET 11 Ca 0.16 1.19 -0.12 0.00 0.00 0.00 0.00 55.69 56.92 3dx9 s MET 11 Cb 0.03 0.15 -0.08 0.00 0.00 0.00 0.00 34.83 34.94 3dx9 s MET 11 CO -0.01 -0.15 0.69 -0.51 0.00 0.00 0.00 175.02 175.05 3dx9 s ASP 12 N 1.53 6.65 -0.07 1.11 1.01 -1.26 -0.86 116.67 124.79 3dx9 s ASP 12 Ca -0.09 1.12 -0.15 0.00 0.71 0.00 0.00 52.55 54.14 3dx9 s ASP 12 Cb -0.05 -2.31 0.03 0.00 1.01 0.00 0.00 42.92 41.60 3dx9 s ASP 12 CO -0.18 -0.23 0.36 0.00 0.21 0.00 0.00 175.17 175.34 3dx9 s ALA 14 N -0.74 3.37 0.19 0.00 0.00 -1.26 0.47 121.76 123.80 3dx9 s ALA 14 Ca -0.08 0.66 -0.30 0.00 0.00 0.00 0.00 51.96 52.23 3dx9 s ALA 14 Cb -0.04 -3.44 -0.08 0.00 0.00 0.00 0.00 23.12 19.56 3dx9 s ALA 14 CO 0.03 -0.51 1.25 -2.00 0.00 0.00 0.00 175.76 174.53 3dx9 s GLU 15 N 1.51 4.44 -0.58 0.00 -6.30 0.73 -2.78 118.70 115.73 3dx9 s GLU 15 Ca 0.55 1.96 0.05 0.00 -2.50 0.00 0.00 54.97 55.03 3dx9 s GLU 15 Cb -0.25 -3.22 0.20 0.00 0.00 0.00 0.00 34.13 30.86 3dx9 s GLU 15 CO 0.25 -0.16 0.51 0.41 0.02 0.00 0.00 175.26 176.29 3dx9 n GLY 16 N 2.24 3.54 4.03 -1.50 0.00 -1.26 -4.66 105.19 107.59 3dx9 n GLY 16 Ca 0.05 -2.17 -0.20 0.00 0.00 0.00 0.00 46.02 43.70 3dx9 n GLY 16 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dx9 s ARG 17 N -1.24 2.26 0.26 1.61 1.70 -1.12 -4.52 118.95 117.90 3dx9 s ARG 17 Ca 0.31 -1.70 -0.30 0.00 -0.47 0.00 0.00 55.73 53.58 3dx9 s ARG 17 Cb 0.04 -2.61 -0.10 0.00 -0.57 0.00 0.00 34.95 31.72 3dx9 s ARG 17 CO -0.14 -0.90 1.42 0.00 -1.08 0.00 0.00 175.30 174.61 3dx9 s ALA 18 N -2.70 3.61 -0.18 7.88 0.00 -1.09 -2.12 121.76 127.16 3dx9 s ALA 18 Ca 0.61 1.32 -0.08 0.00 0.00 0.00 0.00 51.96 53.81 3dx9 s ALA 18 Cb -0.05 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 3dx9 s ALA 18 CO 0.38 -0.73 0.07 0.00 0.00 0.00 0.00 175.76 175.48 3dx9 s ALA 19 N -0.15 3.46 -0.33 0.00 0.00 -0.24 -4.93 121.76 119.56 3dx9 s ALA 19 Ca 0.58 -0.73 -0.04 0.00 0.00 0.00 0.00 51.96 51.77 3dx9 s ALA 19 Cb -0.42 -1.95 0.05 0.00 0.00 0.00 0.00 23.12 20.80 3dx9 s ALA 19 CO 0.45 0.19 0.07 -0.80 0.00 0.00 0.00 175.76 175.66 3dx9 s ASN 20 N 0.33 5.11 -0.28 0.00 -0.87 -1.26 -1.45 114.94 116.52 3dx9 s ASN 20 Ca 0.04 -1.29 -0.15 0.00 -1.57 0.00 0.00 52.86 49.89 3dx9 s ASN 20 Cb -0.12 -1.79 -0.03 0.00 -0.02 0.00 0.00 41.25 39.28 3dx9 s ASN 20 CO -0.00 -0.32 0.40 -0.76 -2.57 0.00 0.00 177.10 173.85 3dx9 s LEU 21 N 1.31 4.09 0.23 0.60 1.02 0.02 -4.92 118.68 121.03 3dx9 s LEU 21 Ca -0.02 0.25 -0.11 0.00 0.02 0.00 0.00 54.13 54.27 3dx9 s LEU 21 Cb -0.20 -2.45 -0.07 0.00 0.02 0.00 0.00 46.19 43.48 3dx9 s LEU 21 CO 0.00 -0.23 0.57 -2.16 0.02 0.00 0.00 176.35 174.56 3dx9 s PRO 22 N 2.11 3.84 -0.02 1.29 0.04 -1.26 -1.05 135.00 139.96 3dx9 s PRO 22 Ca 0.16 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.54 3dx9 s PRO 22 Cb -0.16 -2.65 0.02 0.00 0.04 0.00 0.00 34.50 31.75 3dx9 s PRO 22 CO 0.10 0.32 0.02 0.00 0.04 0.00 0.00 177.00 177.48 3dx9 s ASN 24 N 0.82 6.15 -0.47 0.00 0.02 0.05 -1.25 114.94 120.27 3dx9 s ASN 24 Ca -0.07 0.31 0.06 0.00 -1.02 0.00 0.00 52.86 52.14 3dx9 s ASN 24 Cb -0.10 -2.02 0.21 0.00 0.02 0.00 0.00 41.25 39.35 3dx9 s ASN 24 CO -0.02 0.30 0.64 0.00 0.02 0.00 0.00 177.10 178.03 3dx9 n HIS 25 N 2.73 -2.47 0.46 2.20 1.44 -0.25 0.07 115.22 119.40 3dx9 n HIS 25 Ca -0.18 -2.28 0.13 0.00 -2.01 0.00 0.00 57.72 53.38 3dx9 n HIS 25 Cb 0.53 0.92 0.38 0.00 0.12 0.00 0.00 29.99 31.94 3dx9 n HIS 25 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3dx9 h SER 26 N 4.77 0.00 -0.69 4.39 4.64 -1.77 -3.14 113.55 121.74 3dx9 h SER 26 Ca 0.07 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.02 3dx9 h SER 26 Cb 1.01 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.88 3dx9 h SER 26 CO 0.24 0.00 0.30 0.35 -0.87 0.00 0.00 176.83 176.85 3dx9 n THR 27 N -2.54 2.91 -2.59 2.95 -2.24 -1.26 -4.88 114.28 106.62 3dx9 n THR 27 Ca 0.04 -2.36 -0.41 0.00 -2.27 0.00 0.00 64.05 59.05 3dx9 n THR 27 Cb 0.42 -0.42 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 3dx9 n THR 27 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3dx9 s ILE 28 N -3.32 4.09 0.87 2.28 2.07 -1.19 -5.06 121.20 120.95 3dx9 s ILE 28 Ca 0.51 1.79 -0.11 0.00 -1.41 0.00 0.00 60.65 61.43 3dx9 s ILE 28 Cb 0.45 -4.14 0.11 0.00 0.13 0.00 0.00 42.46 39.01 3dx9 s ILE 28 CO 0.05 0.30 1.09 -0.44 -1.91 0.00 0.00 174.94 174.03 3dx9 s SER 29 N -0.10 3.67 0.04 4.50 0.01 -1.26 -4.99 113.70 115.57 3dx9 s SER 29 Ca 0.48 1.64 0.00 0.00 1.31 0.00 0.00 55.95 59.38 3dx9 s SER 29 Cb -0.27 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.65 3dx9 s SER 29 CO 0.33 -2.53 0.00 0.61 0.41 0.00 0.00 173.24 172.06 3dx9 n GLY 30 N -1.00 1.17 0.53 3.44 0.00 -1.26 -3.39 105.19 104.67 3dx9 n GLY 30 Ca 0.08 -0.65 0.05 0.00 0.00 0.00 0.00 46.02 45.50 3dx9 n GLY 30 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3dx9 n ASN 31 N 1.73 2.47 -4.69 1.61 0.23 -1.26 -4.99 115.26 110.35 3dx9 n ASN 31 Ca 0.00 -1.77 -0.39 0.00 -0.53 0.00 0.00 54.58 51.89 3dx9 n ASN 31 Cb 0.00 -0.13 -0.06 0.00 -2.08 0.00 0.00 39.78 37.51 3dx9 n ASN 31 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 3dx9 s GLU 32 N -0.95 4.29 0.51 -3.83 2.02 -1.22 -4.48 118.70 115.04 3dx9 s GLU 32 Ca 0.18 0.53 -0.05 0.00 0.02 0.00 0.00 54.97 55.65 3dx9 s GLU 32 Cb 0.10 -3.50 -0.02 0.00 0.10 0.00 0.00 34.13 30.81 3dx9 s GLU 32 CO 0.14 -0.02 0.81 0.71 0.02 0.00 0.00 175.26 176.92 3dx9 s TYR 33 N 1.19 3.43 -0.10 1.61 1.51 0.50 -4.83 117.35 120.65 3dx9 s TYR 33 Ca 0.28 0.70 -0.03 0.00 -1.01 0.00 0.00 57.07 57.01 3dx9 s TYR 33 Cb -0.16 -2.44 -0.03 0.00 -0.11 0.00 0.00 41.96 39.22 3dx9 s TYR 33 CO 0.11 -0.46 0.02 0.08 -1.11 0.00 0.00 175.55 174.19 3dx9 s VAL 39 N -2.80 4.47 0.01 0.71 1.01 0.17 -1.98 120.40 122.00 3dx9 s VAL 39 Ca 0.49 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.33 3dx9 s VAL 39 Cb -0.10 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 3dx9 s VAL 39 CO 0.44 0.60 -0.11 -0.31 0.00 0.00 0.00 175.10 175.72 3dx9 s TYR 40 N -0.82 1.01 -0.10 5.22 2.02 0.95 -1.91 117.35 123.72 3dx9 s TYR 40 Ca 0.13 -0.27 0.04 0.00 -0.37 0.00 0.00 57.07 56.59 3dx9 s TYR 40 Cb -0.12 -0.62 -0.00 0.00 -0.40 0.00 0.00 41.96 40.82 3dx9 s TYR 40 CO 0.02 -0.00 -0.22 -1.58 -1.57 0.00 0.00 175.55 172.20 3dx9 s TRP 41 N -0.58 2.59 0.29 2.71 0.52 -0.23 -0.13 118.94 124.11 3dx9 s TRP 41 Ca 0.02 -0.93 0.11 0.00 0.02 0.00 0.00 56.10 55.32 3dx9 s TRP 41 Cb -0.06 -1.72 -0.05 0.00 -1.15 0.00 0.00 33.47 30.49 3dx9 s TRP 41 CO 0.00 -0.35 -0.17 0.71 0.02 0.00 0.00 176.95 177.16 3dx9 s TYR 42 N 0.26 2.26 -0.02 -1.98 2.02 0.54 -1.18 117.35 119.25 3dx9 s TYR 42 Ca -0.15 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.19 3dx9 s TYR 42 Cb -0.17 -1.05 -0.00 0.00 -0.40 0.00 0.00 41.96 40.34 3dx9 s TYR 42 CO 0.08 0.66 -0.10 0.50 -1.57 0.00 0.00 175.55 175.11 3dx9 s ARG 43 N -3.54 0.95 -0.10 -0.62 3.52 0.01 -0.13 118.95 119.03 3dx9 s ARG 43 Ca 0.30 -0.36 0.01 0.00 -0.13 0.00 0.00 55.73 55.55 3dx9 s ARG 43 Cb -0.03 -0.90 0.02 0.00 -1.56 0.00 0.00 34.95 32.48 3dx9 s ARG 43 CO 0.15 0.18 -0.10 -1.14 -0.81 0.00 0.00 175.30 173.57 3dx9 s GLN 44 N -0.04 1.72 -0.06 5.12 0.74 0.12 -0.06 119.66 127.20 3dx9 s GLN 44 Ca 0.00 -0.36 0.01 0.00 0.05 0.00 0.00 55.36 55.07 3dx9 s GLN 44 Cb -0.06 -1.63 -0.03 0.00 1.10 0.00 0.00 33.01 32.39 3dx9 s GLN 44 CO 0.00 -0.17 -0.06 0.42 -0.55 0.00 0.00 175.29 174.93 3dx9 s ILE 45 N 1.35 3.79 0.00 -2.34 1.01 -1.26 -1.52 121.20 122.23 3dx9 s ILE 45 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.17 3dx9 s ILE 45 Cb -0.14 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.77 3dx9 s ILE 45 CO -0.05 0.58 0.00 1.57 0.00 0.00 0.00 174.94 177.05 3dx9 n HIS 46 N 2.16 -0.11 1.38 3.97 -0.00 -1.26 -1.48 115.22 119.89 3dx9 n HIS 46 Ca -0.18 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.11 3dx9 n HIS 46 Cb 0.53 0.04 0.63 0.00 -0.12 0.00 0.00 29.99 31.08 3dx9 n HIS 46 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 3dx9 n SER 47 N -3.67 0.00 -4.33 0.26 3.41 -1.26 -4.96 113.62 103.06 3dx9 n SER 47 Ca 0.00 -0.72 -0.29 0.00 -0.26 0.00 0.00 58.87 57.60 3dx9 n SER 47 Cb 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.14 3dx9 n SER 47 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3dx9 s GLN 48 N -2.00 -0.07 0.33 4.33 -0.21 -0.55 -4.91 119.66 116.58 3dx9 s GLN 48 Ca 0.32 0.17 -0.29 0.00 0.02 0.00 0.00 55.36 55.58 3dx9 s GLN 48 Cb 0.15 -1.71 -0.12 0.00 1.00 0.00 0.00 33.01 32.33 3dx9 s GLN 48 CO 0.25 -2.99 1.47 0.41 -2.12 0.00 0.00 175.29 172.30 3dx9 n GLY 49 N -1.46 1.06 3.72 3.09 0.00 -1.26 -4.62 105.19 105.71 3dx9 n GLY 49 Ca 0.09 0.38 -0.42 0.00 0.00 0.00 0.00 46.02 46.07 3dx9 n GLY 49 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dx9 s PRO 50 N -1.41 4.26 -0.12 1.61 0.04 -1.26 -4.64 135.00 133.48 3dx9 s PRO 50 Ca 0.58 2.23 -0.10 0.00 0.04 0.00 0.00 61.00 63.75 3dx9 s PRO 50 Cb -0.52 -3.20 -0.05 0.00 0.04 0.00 0.00 34.50 30.78 3dx9 s PRO 50 CO 0.58 -0.53 0.21 1.14 0.04 0.00 0.00 177.00 178.44 3dx9 s GLN 51 N 1.11 3.83 0.42 4.56 -2.07 0.91 -4.87 119.66 123.55 3dx9 s GLN 51 Ca 0.67 -0.01 -0.26 0.00 -1.82 0.00 0.00 55.36 53.95 3dx9 s GLN 51 Cb -0.40 -3.29 -0.10 0.00 -1.09 0.00 0.00 33.01 28.13 3dx9 s GLN 51 CO 0.31 0.56 1.30 0.98 -1.32 0.00 0.00 175.29 177.12 3dx9 n TYR 52 N 2.57 2.24 -0.02 9.60 9.36 -1.26 -0.81 117.16 138.85 3dx9 n TYR 52 Ca -0.17 0.50 -0.03 0.00 3.32 0.00 0.00 57.90 61.52 3dx9 n TYR 52 Cb 0.53 -2.39 -0.01 0.00 -0.63 0.00 0.00 39.34 36.84 3dx9 n TYR 52 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 3dx9 n ILE 53 N -0.13 1.04 -3.51 2.97 5.41 -0.33 -4.84 119.36 119.98 3dx9 n ILE 53 Ca 0.06 0.27 -0.09 0.00 1.00 0.00 0.00 62.75 63.99 3dx9 n ILE 53 Cb 0.39 -1.80 -0.02 0.00 -0.71 0.00 0.00 39.64 37.51 3dx9 n ILE 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 3dx9 s ILE 54 N -2.11 0.00 0.14 1.39 2.07 -1.18 -4.87 121.20 116.65 3dx9 s ILE 54 Ca -0.11 -0.05 -0.16 0.00 -1.41 0.00 0.00 60.65 58.92 3dx9 s ILE 54 Cb 0.02 -1.07 0.03 0.00 0.13 0.00 0.00 42.46 41.57 3dx9 s ILE 54 CO 0.16 0.00 0.42 -1.38 -1.91 0.00 0.00 174.94 172.23 3dx9 s HIS 55 N -3.27 -0.16 0.00 3.50 -3.43 -1.26 -1.06 115.29 109.61 3dx9 s HIS 55 Ca 0.05 -0.17 0.00 0.00 -0.80 0.00 0.00 55.06 54.14 3dx9 s HIS 55 Cb -0.01 0.27 0.00 0.00 -1.43 0.00 0.00 32.58 31.41 3dx9 s HIS 55 CO -0.09 -0.75 0.00 0.41 -2.00 0.00 0.00 174.74 172.31 3dx9 n GLY 56 N -0.25 0.98 0.00 -1.38 0.00 -0.80 -4.91 105.19 98.84 3dx9 n GLY 56 Ca -0.14 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3dx9 n GLY 56 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3dx9 n LEU 57 N 0.00 2.30 -3.15 0.99 7.94 -1.26 -0.65 117.00 123.16 3dx9 n LEU 57 Ca 0.00 0.03 0.05 0.00 -1.11 0.00 0.00 56.01 54.99 3dx9 n LEU 57 Cb 0.00 -0.04 -0.00 0.00 0.53 0.00 0.00 43.42 43.91 3dx9 n LEU 57 CO 0.00 -0.04 0.49 -0.54 -1.11 0.00 0.00 177.39 176.20 3dx9 s LYS 58 N -0.08 0.17 0.00 1.96 1.02 -1.26 -4.59 119.74 116.95 3dx9 s LYS 58 Ca 0.00 0.17 0.00 0.00 0.02 0.00 0.00 55.97 56.16 3dx9 s LYS 58 Cb 0.00 0.08 0.00 0.00 -0.52 0.00 0.00 37.83 37.39 3dx9 s LYS 58 CO 0.00 -0.31 0.00 0.27 -0.92 0.00 0.00 175.35 174.39 3dx9 n ASN 59 N 5.13 0.00 -4.15 2.83 6.94 -1.25 -5.06 115.26 119.70 3dx9 n ASN 59 Ca 0.09 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.52 3dx9 n ASN 59 Cb 0.57 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.89 3dx9 n ASN 59 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3dx9 s ASN 66 N 0.00 1.24 0.13 0.53 2.20 -1.26 -1.34 114.94 116.44 3dx9 s ASN 66 Ca 0.00 -0.80 -0.10 0.00 -0.94 0.00 0.00 52.86 51.02 3dx9 s ASN 66 Cb 0.00 0.04 -0.00 0.00 -2.00 0.00 0.00 41.25 39.28 3dx9 s ASN 66 CO 0.00 -0.30 0.27 -1.61 -2.94 0.00 0.00 177.10 172.52 3dx9 s GLU 67 N -2.76 1.04 -0.02 3.55 0.41 0.36 -4.99 118.70 116.28 3dx9 s GLU 67 Ca 0.03 -1.04 -0.19 0.00 -0.41 0.00 0.00 54.97 53.36 3dx9 s GLU 67 Cb -0.03 0.38 0.04 0.00 -1.78 0.00 0.00 34.13 32.74 3dx9 s GLU 67 CO -0.01 -0.37 0.41 0.99 -0.49 0.00 0.00 175.26 175.79 3dx9 s THR 68 N -3.91 0.04 0.36 3.63 2.01 -1.26 -0.16 115.64 116.35 3dx9 s THR 68 Ca 0.11 -0.35 -0.10 0.00 0.31 0.00 0.00 61.69 61.66 3dx9 s THR 68 Cb 0.04 -0.74 0.04 0.00 0.01 0.00 0.00 72.50 71.84 3dx9 s THR 68 CO -0.05 -0.19 0.65 -0.46 -0.69 0.00 0.00 174.62 173.87 3dx9 n ASN 69 N 1.12 -1.87 -0.01 3.53 2.04 -0.42 -5.01 115.26 114.64 3dx9 n ASN 69 Ca -0.21 -2.63 0.21 0.00 -0.44 0.00 0.00 54.58 51.51 3dx9 n ASN 69 Cb 0.57 3.21 0.70 0.00 -2.53 0.00 0.00 39.78 41.72 3dx9 n ASN 69 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 3dx9 h GLU 70 N 0.00 0.00 0.00 -3.83 5.08 -2.02 -2.75 114.58 111.05 3dx9 h GLU 70 Ca -0.30 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 3dx9 h GLU 70 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 3dx9 h GLU 70 CO 0.39 0.00 -1.16 -0.12 -1.00 0.00 0.00 179.01 177.12 3dx9 n MET 78 N -4.35 0.61 0.00 2.33 1.56 -1.26 -5.05 117.12 110.96 3dx9 n MET 78 Ca 0.10 0.10 0.00 0.00 -0.27 0.00 0.00 57.70 57.63 3dx9 n MET 78 Cb 0.63 -1.79 0.00 0.00 2.15 0.00 0.00 33.22 34.21 3dx9 n MET 78 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3dx9 n ALA 79 N -2.21 0.00 -2.42 -5.12 0.00 -1.04 -4.81 120.51 104.91 3dx9 n ALA 79 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.23 3dx9 n ALA 79 Cb 0.59 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.93 3dx9 n ALA 79 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3dx9 s SER 80 N 0.00 2.35 -0.07 0.00 0.15 -0.39 -1.30 113.70 114.45 3dx9 s SER 80 Ca 0.00 -0.90 -0.02 0.00 0.70 0.00 0.00 55.95 55.73 3dx9 s SER 80 Cb 0.00 -0.11 0.03 0.00 -1.71 0.00 0.00 66.02 64.23 3dx9 s SER 80 CO 0.00 -0.13 0.05 -0.22 1.20 0.00 0.00 173.24 174.13 3dx9 s LEU 81 N -2.82 0.32 -0.12 3.45 2.96 0.77 -0.82 118.68 122.42 3dx9 s LEU 81 Ca 0.15 -0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 53.98 3dx9 s LEU 81 Cb -0.03 -0.25 -0.02 0.00 0.50 0.00 0.00 46.19 46.38 3dx9 s LEU 81 CO 0.05 -0.25 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.12 3dx9 s ILE 82 N 2.10 3.52 -0.07 6.68 1.01 -0.39 -0.49 121.20 133.56 3dx9 s ILE 82 Ca 0.04 -0.51 0.04 0.00 0.00 0.00 0.00 60.65 60.22 3dx9 s ILE 82 Cb -0.13 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.86 3dx9 s ILE 82 CO -0.04 0.53 -0.19 -0.63 0.00 0.00 0.00 174.94 174.61 3dx9 s ILE 83 N 0.05 1.65 1.05 2.92 1.01 -0.45 0.10 121.20 127.53 3dx9 s ILE 83 Ca -0.02 -0.80 -0.13 0.00 0.00 0.00 0.00 60.65 59.70 3dx9 s ILE 83 Cb -0.14 -1.43 0.22 0.00 0.01 0.00 0.00 42.46 41.11 3dx9 s ILE 83 CO 0.03 0.47 1.08 0.42 0.00 0.00 0.00 174.94 176.94 3dx9 s THR 84 N 0.31 2.02 0.11 2.92 -4.23 -0.89 -3.84 115.64 112.03 3dx9 s THR 84 Ca -0.13 0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 60.27 3dx9 s THR 84 Cb -0.15 -2.40 -0.11 0.00 1.34 0.00 0.00 72.50 71.17 3dx9 s THR 84 CO 0.05 -0.01 1.37 1.05 -0.54 0.00 0.00 174.62 176.54 3dx9 h GLU 84 N -2.09 0.84 -0.89 3.99 9.09 -1.95 -2.26 114.58 121.31 3dx9 h GLU 84 Ca -0.57 -0.58 0.33 0.00 0.05 0.00 0.00 59.36 58.59 3dx9 h GLU 84 Cb 1.33 0.09 -0.16 0.00 -1.65 0.00 0.00 28.75 28.36 3dx9 h GLU 84 CO 0.56 1.21 0.31 -0.25 0.05 0.00 0.00 179.01 180.89 3dx9 n ASP 84 N -4.00 0.16 0.00 3.06 8.00 -1.26 -4.82 116.55 117.69 3dx9 n ASP 84 Ca -0.06 1.49 0.00 0.00 0.71 0.00 0.00 54.79 56.93 3dx9 n ASP 84 Cb 0.66 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3dx9 n ASP 84 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3dx9 n ARG 84 N -5.12 0.00 0.00 -1.24 1.74 -0.85 -4.90 116.66 106.29 3dx9 n ARG 84 Ca 0.29 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.51 3dx9 n ARG 84 Cb 0.98 -1.83 0.54 0.00 -1.02 0.00 0.00 32.46 31.13 3dx9 n ARG 84 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3dx9 n LYS 85 N -2.00 0.38 -3.67 5.56 5.02 -1.26 -4.79 118.16 117.40 3dx9 n LYS 85 Ca 0.00 -0.13 -0.10 0.00 -2.02 0.00 0.00 58.31 56.06 3dx9 n LYS 85 Cb 0.00 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.47 3dx9 n LYS 85 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3dx9 s SER 86 N -2.71 -0.20 0.13 4.39 1.04 -1.26 -1.09 113.70 114.00 3dx9 s SER 86 Ca 0.22 -0.38 -0.07 0.00 0.48 0.00 0.00 55.95 56.19 3dx9 s SER 86 Cb 0.19 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.77 3dx9 s SER 86 CO 0.53 -0.86 0.21 -0.94 0.98 0.00 0.00 173.24 173.16 3dx9 s SER 87 N -2.82 0.12 -0.04 7.02 1.04 -0.38 -2.11 113.70 116.53 3dx9 s SER 87 Ca 0.04 -0.85 0.01 0.00 0.48 0.00 0.00 55.95 55.63 3dx9 s SER 87 Cb 0.02 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.54 3dx9 s SER 87 CO -0.11 -0.81 -0.03 -0.89 0.98 0.00 0.00 173.24 172.38 3dx9 s THR 88 N -3.94 0.43 -0.17 2.02 2.01 0.12 -1.70 115.64 114.41 3dx9 s THR 88 Ca 0.14 -0.06 -0.14 0.00 0.31 0.00 0.00 61.69 61.93 3dx9 s THR 88 Cb 0.05 -0.47 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 3dx9 s THR 88 CO -0.04 0.20 0.32 -0.22 -0.69 0.00 0.00 174.62 174.20 3dx9 s LEU 89 N 0.95 4.23 -0.27 4.42 2.96 -0.22 -1.26 118.68 129.49 3dx9 s LEU 89 Ca -0.11 0.52 -0.03 0.00 -0.22 0.00 0.00 54.13 54.30 3dx9 s LEU 89 Cb -0.14 -2.42 0.03 0.00 0.50 0.00 0.00 46.19 44.16 3dx9 s LEU 89 CO -0.00 0.06 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.44 3dx9 s ILE 90 N 0.64 3.18 -0.46 6.68 1.01 0.00 -0.80 121.20 131.44 3dx9 s ILE 90 Ca 0.18 -1.03 -0.16 0.00 0.00 0.00 0.00 60.65 59.64 3dx9 s ILE 90 Cb -0.13 -2.67 0.06 0.00 0.01 0.00 0.00 42.46 39.72 3dx9 s ILE 90 CO 0.05 0.10 0.42 -0.76 0.00 0.00 0.00 174.94 174.75 3dx9 s LEU 91 N 1.35 5.37 0.40 2.97 1.43 -0.53 -1.27 118.68 128.41 3dx9 s LEU 91 Ca -0.00 -1.14 0.11 0.00 -1.03 0.00 0.00 54.13 52.07 3dx9 s LEU 91 Cb -0.17 -2.24 0.82 0.00 0.03 0.00 0.00 46.19 44.63 3dx9 s LEU 91 CO -0.02 -0.65 1.92 1.55 0.23 0.00 0.00 176.35 179.38 3dx9 h PRO 92 N 8.77 0.14 -2.61 1.29 0.13 -1.87 -0.63 132.00 137.22 3dx9 h PRO 92 Ca -0.28 -0.03 -0.57 0.00 -0.87 0.00 0.00 66.00 64.25 3dx9 h PRO 92 Cb 1.11 -0.02 -0.39 0.00 0.13 0.00 0.00 31.00 31.83 3dx9 h PRO 92 CO 0.86 0.33 -0.83 -1.01 -0.23 0.00 0.00 178.00 177.12 3dx9 s HIS 93 N -4.61 0.61 -0.09 1.56 3.76 -1.26 -2.67 115.29 112.60 3dx9 s HIS 93 Ca -0.05 -1.45 -0.30 0.00 -0.15 0.00 0.00 55.06 53.12 3dx9 s HIS 93 Cb 0.15 -0.89 -0.04 0.00 1.11 0.00 0.00 32.58 32.91 3dx9 s HIS 93 CO 0.72 -0.83 1.37 0.00 -0.85 0.00 0.00 174.74 175.15 3dx9 s ALA 94 N 1.29 3.61 0.46 -1.40 0.00 -0.90 -4.95 121.76 119.87 3dx9 s ALA 94 Ca 0.16 0.69 0.06 0.00 0.00 0.00 0.00 51.96 52.87 3dx9 s ALA 94 Cb -0.21 -3.63 -0.02 0.00 0.00 0.00 0.00 23.12 19.26 3dx9 s ALA 94 CO -0.07 -1.10 0.26 0.95 0.00 0.00 0.00 175.76 175.80 3dx9 s THR 95 N 3.15 2.06 0.45 0.00 -4.23 -1.26 -4.05 115.64 111.77 3dx9 s THR 95 Ca 0.61 -1.61 0.14 0.00 -1.18 0.00 0.00 61.69 59.64 3dx9 s THR 95 Cb -0.27 -2.68 0.31 0.00 1.34 0.00 0.00 72.50 71.21 3dx9 s THR 95 CO 0.22 0.00 2.02 -0.07 -0.54 0.00 0.00 174.62 176.25 3dx9 h LEU 96 N 1.17 0.31 -2.22 4.79 3.38 -1.95 -0.70 115.31 120.09 3dx9 h LEU 96 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3dx9 h LEU 96 Cb 1.27 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3dx9 h LEU 96 CO 0.65 0.20 0.00 0.03 0.09 0.00 0.00 178.44 179.41 3dx9 h ARG 97 N 0.35 0.00 -0.00 1.13 3.08 -1.99 -2.44 114.38 114.51 3dx9 h ARG 97 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3dx9 h ARG 97 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3dx9 h ARG 97 CO -0.05 0.00 -0.01 -0.25 -1.07 0.00 0.00 179.97 178.59 3dx9 n ASP 98 N -2.98 0.09 -4.66 7.04 8.00 -0.27 -4.84 116.55 118.92 3dx9 n ASP 98 Ca -0.01 -0.56 -0.42 0.00 0.71 0.00 0.00 54.79 54.51 3dx9 n ASP 98 Cb 0.16 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 3dx9 n ASP 98 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3dx9 s THR 99 N -2.33 4.80 0.09 -3.53 -4.23 -0.92 -4.92 115.64 104.61 3dx9 s THR 99 Ca 0.36 1.75 -0.24 0.00 -1.18 0.00 0.00 61.69 62.39 3dx9 s THR 99 Cb 0.21 -4.19 0.08 0.00 1.34 0.00 0.00 72.50 69.94 3dx9 s THR 99 CO 0.42 -0.06 1.10 0.00 -0.54 0.00 0.00 174.62 175.54 3dx9 n ALA 100 N 5.76 -2.98 -2.61 3.99 0.00 -1.11 -4.97 120.51 118.60 3dx9 n ALA 100 Ca 0.07 -0.90 -0.38 0.00 0.00 0.00 0.00 53.44 52.23 3dx9 n ALA 100 Cb 0.48 0.38 -0.06 0.00 0.00 0.00 0.00 19.45 20.25 3dx9 n ALA 100 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dx9 s VAL 101 N -2.05 5.08 -0.17 0.00 1.01 -0.58 -0.82 120.40 122.87 3dx9 s VAL 101 Ca 0.25 1.02 -0.00 0.00 0.00 0.00 0.00 61.98 63.25 3dx9 s VAL 101 Cb -0.02 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.54 3dx9 s VAL 101 CO 0.03 0.40 -0.16 -0.31 0.00 0.00 0.00 175.10 175.06 3dx9 s TYR 102 N 0.06 2.80 -0.16 5.22 1.51 0.39 0.13 117.35 127.31 3dx9 s TYR 102 Ca 0.27 -1.26 -0.06 0.00 -1.01 0.00 0.00 57.07 55.01 3dx9 s TYR 102 Cb -0.16 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.72 3dx9 s TYR 102 CO 0.13 -0.62 0.05 0.71 -1.11 0.00 0.00 175.55 174.71 3dx9 s TYR 103 N 1.10 3.25 -0.27 2.71 2.02 0.81 -0.03 117.35 126.94 3dx9 s TYR 103 Ca 0.00 0.09 -0.07 0.00 -0.37 0.00 0.00 57.07 56.73 3dx9 s TYR 103 Cb -0.14 -2.01 -0.01 0.00 -0.40 0.00 0.00 41.96 39.40 3dx9 s TYR 103 CO -0.05 0.23 0.06 0.00 -1.57 0.00 0.00 175.55 174.22 3dx9 s ILE 105 N 1.55 1.83 -0.06 0.00 -4.36 0.82 -4.79 121.20 116.19 3dx9 s ILE 105 Ca 0.05 -2.03 0.04 0.00 -0.26 0.00 0.00 60.65 58.44 3dx9 s ILE 105 Cb -0.16 -1.92 0.00 0.00 1.25 0.00 0.00 42.46 41.63 3dx9 s ILE 105 CO 0.02 -0.40 -0.17 0.68 0.24 0.00 0.00 174.94 175.31 3dx9 s VAL 106 N -2.34 1.45 -0.09 8.37 -7.23 -1.26 -0.03 120.40 119.27 3dx9 s VAL 106 Ca 0.18 -0.70 -0.09 0.00 -1.81 0.00 0.00 61.98 59.56 3dx9 s VAL 106 Cb -0.04 -1.26 0.02 0.00 0.56 0.00 0.00 36.38 35.66 3dx9 s VAL 106 CO 0.07 0.42 0.25 0.86 -0.31 0.00 0.00 175.10 176.39 3dx9 s TRP 107 N 0.24 -0.25 0.00 2.82 -0.00 -0.84 -4.83 118.94 116.08 3dx9 s TRP 107 Ca -0.09 0.61 0.00 0.00 -0.00 0.00 0.00 56.10 56.63 3dx9 s TRP 107 Cb -0.14 0.09 0.00 0.00 -0.00 0.00 0.00 33.47 33.42 3dx9 s TRP 107 CO 0.04 -0.15 0.71 0.41 -0.00 0.00 0.00 176.95 177.95 3dx9 n GLY 108 N 2.80 0.58 0.00 5.86 0.00 -1.26 -0.37 105.19 112.80 3dx9 n GLY 108 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3dx9 n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dx9 n GLY 109 N -0.25 3.05 5.00 -0.02 0.00 -1.26 -4.80 105.19 106.90 3dx9 n GLY 109 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.06 3dx9 n GLY 109 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3dx9 n TYR 110 N -0.39 0.00 -1.21 1.61 9.36 -1.26 -4.83 117.16 120.44 3dx9 n TYR 110 Ca 0.00 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.93 3dx9 n TYR 110 Cb 0.00 0.00 0.19 0.00 -0.63 0.00 0.00 39.34 38.90 3dx9 n TYR 110 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 3dx9 s GLN 111 N 0.00 0.12 1.03 2.98 -1.52 -1.26 -5.04 119.66 115.97 3dx9 s GLN 111 Ca 0.00 0.33 -0.12 0.00 -1.95 0.00 0.00 55.36 53.61 3dx9 s GLN 111 Cb 0.00 -1.72 0.21 0.00 -0.22 0.00 0.00 33.01 31.28 3dx9 s GLN 111 CO 0.00 -2.90 1.08 -1.59 -0.25 0.00 0.00 175.29 171.63 3dx9 s LYS 112 N -5.11 0.15 -0.02 2.91 -2.85 -1.26 -5.02 119.74 108.54 3dx9 s LYS 112 Ca 0.67 0.68 0.01 0.00 -1.00 0.00 0.00 55.97 56.33 3dx9 s LYS 112 Cb -0.16 -1.69 -0.03 0.00 -2.06 0.00 0.00 37.83 33.88 3dx9 s LYS 112 CO 0.57 -2.96 -0.00 0.08 0.10 0.00 0.00 175.35 173.13 3dx9 s VAL 113 N -2.80 4.15 -0.04 1.79 1.01 -1.26 -4.99 120.40 118.26 3dx9 s VAL 113 Ca 0.66 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 62.15 3dx9 s VAL 113 Cb -0.20 -2.82 -0.00 0.00 0.00 0.00 0.00 36.38 33.35 3dx9 s VAL 113 CO 0.60 0.43 -0.17 -0.89 0.00 0.00 0.00 175.10 175.07 3dx9 s THR 114 N -1.03 1.41 -0.10 3.92 2.01 -1.26 -5.13 115.64 115.45 3dx9 s THR 114 Ca 0.18 -0.71 -0.04 0.00 0.31 0.00 0.00 61.69 61.43 3dx9 s THR 114 Cb -0.11 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.15 3dx9 s THR 114 CO 0.08 0.41 0.06 -0.36 -0.69 0.00 0.00 174.62 174.12 3dx9 s PHE 115 N 0.02 3.35 0.00 4.92 0.40 -1.26 -4.24 117.98 121.18 3dx9 s PHE 115 Ca -0.03 0.34 0.00 0.00 -0.60 0.00 0.00 56.93 56.63 3dx9 s PHE 115 Cb -0.11 -1.86 0.00 0.00 0.51 0.00 0.00 43.02 41.56 3dx9 s PHE 115 CO 0.02 0.58 0.00 0.41 0.70 0.00 0.00 175.22 176.93 3dx9 n GLY 116 N 2.10 1.59 0.47 4.36 0.00 -1.26 -4.68 105.19 107.76 3dx9 n GLY 116 Ca -0.19 -1.09 -0.04 0.00 0.00 0.00 0.00 46.02 44.70 3dx9 n GLY 116 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3dx9 n THR 117 N 0.00 0.22 0.00 2.61 5.66 -1.26 -5.04 114.28 116.47 3dx9 n THR 117 Ca 0.00 -0.07 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 3dx9 n THR 117 Cb 0.00 -1.12 0.00 0.00 -1.55 0.00 0.00 70.33 67.66 3dx9 n THR 117 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3dx9 n GLY 118 N 3.01 2.38 3.34 1.09 0.00 -1.26 -4.94 105.19 108.82 3dx9 n GLY 118 Ca -0.08 -2.00 -0.36 0.00 0.00 0.00 0.00 46.02 43.59 3dx9 n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dx9 s THR 119 N -2.58 3.66 -0.50 2.61 2.01 0.96 -4.23 115.64 117.57 3dx9 s THR 119 Ca 0.00 -0.45 -0.28 0.00 0.31 0.00 0.00 61.69 61.27 3dx9 s THR 119 Cb 0.00 -2.71 0.01 0.00 0.01 0.00 0.00 72.50 69.81 3dx9 s THR 119 CO 0.00 0.36 1.48 -0.75 -0.69 0.00 0.00 174.62 175.01 3dx9 s LYS 120 N 1.51 3.34 -0.36 4.92 2.47 -0.01 -0.46 119.74 131.15 3dx9 s LYS 120 Ca 0.05 0.69 -0.22 0.00 -1.56 0.00 0.00 55.97 54.94 3dx9 s LYS 120 Cb -0.15 -4.12 0.01 0.00 -1.46 0.00 0.00 37.83 32.11 3dx9 s LYS 120 CO -0.01 -1.88 0.70 -1.17 0.16 0.00 0.00 175.35 173.15 3dx9 s LEU 121 N 6.16 4.22 -0.22 5.43 2.96 0.00 -1.32 118.68 135.91 3dx9 s LEU 121 Ca 0.58 0.20 -0.17 0.00 -0.22 0.00 0.00 54.13 54.53 3dx9 s LEU 121 Cb -0.13 -2.88 -0.03 0.00 0.50 0.00 0.00 46.19 43.65 3dx9 s LEU 121 CO 0.28 -0.66 0.46 -1.10 -1.32 0.00 0.00 176.35 174.00 3dx9 s GLN 122 N 2.87 4.14 -0.25 1.98 -1.52 -0.03 -2.74 119.66 124.11 3dx9 s GLN 122 Ca 0.27 0.27 -0.18 0.00 -1.95 0.00 0.00 55.36 53.78 3dx9 s GLN 122 Cb -0.14 -3.58 -0.03 0.00 -0.22 0.00 0.00 33.01 29.04 3dx9 s GLN 122 CO 0.16 -0.16 0.50 0.08 -0.25 0.00 0.00 175.29 175.61 3dx9 s VAL 123 N 1.70 5.09 -0.23 1.09 1.01 -1.26 -0.97 120.40 126.84 3dx9 s VAL 123 Ca 0.21 0.86 -0.07 0.00 0.00 0.00 0.00 61.98 62.97 3dx9 s VAL 123 Cb -0.15 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 3dx9 s VAL 123 CO 0.09 0.11 0.07 -0.63 0.00 0.00 0.00 175.10 174.74 3dx9 s ILE 124 N 2.13 4.48 0.53 2.22 -1.09 0.18 -4.84 121.20 124.81 3dx9 s ILE 124 Ca 0.21 -0.12 -0.10 0.00 -2.23 0.00 0.00 60.65 58.40 3dx9 s ILE 124 Cb -0.16 -3.07 -0.05 0.00 -1.58 0.00 0.00 42.46 37.61 3dx9 s ILE 124 CO 0.09 0.38 0.92 -2.16 -1.23 0.00 0.00 174.94 172.94 3dx9 s PRO 125 N 1.19 3.67 -0.16 2.79 0.04 -1.26 -0.19 135.00 141.08 3dx9 s PRO 125 Ca 0.05 0.59 -0.09 0.00 0.04 0.00 0.00 61.00 61.59 3dx9 s PRO 125 Cb -0.14 -2.22 -0.05 0.00 0.04 0.00 0.00 34.50 32.13 3dx9 s PRO 125 CO 0.03 -0.34 0.15 0.42 0.04 0.00 0.00 177.00 177.30 3dx9 s ILE 126 N -2.85 5.45 0.30 0.56 1.09 -1.26 -4.69 121.20 119.79 3dx9 s ILE 126 Ca 0.53 0.23 0.07 0.00 -1.10 0.00 0.00 60.65 60.38 3dx9 s ILE 126 Cb -0.11 -3.45 -0.03 0.00 -1.06 0.00 0.00 42.46 37.81 3dx9 s ILE 126 CO 0.45 0.53 0.23 -1.10 -0.10 0.00 0.00 174.94 174.95 3dx9 s GLN 127 N -0.33 2.76 -0.55 2.79 -1.52 -1.26 -4.95 119.66 116.60 3dx9 s GLN 127 Ca 0.12 -1.22 0.01 0.00 -1.95 0.00 0.00 55.36 52.32 3dx9 s GLN 127 Cb -0.12 -2.48 0.14 0.00 -0.22 0.00 0.00 33.01 30.34 3dx9 s GLN 127 CO 0.01 0.22 0.32 -0.80 -0.25 0.00 0.00 175.29 174.80 3dx9 s ASN 128 N -3.91 4.69 0.62 5.90 -0.87 -1.26 -5.01 114.94 115.09 3dx9 s ASN 128 Ca 0.37 -2.92 -0.13 0.00 -1.57 0.00 0.00 52.86 48.61 3dx9 s ASN 128 Cb -0.06 -1.72 -0.03 0.00 -0.02 0.00 0.00 41.25 39.41 3dx9 s ASN 128 CO 0.25 -0.29 1.04 -2.16 -2.57 0.00 0.00 177.10 173.37 3dx9 s PRO 129 N -0.16 3.39 -0.42 -0.60 0.05 -1.26 -5.06 135.00 130.94 3dx9 s PRO 129 Ca 0.17 0.95 0.08 0.00 0.05 0.00 0.00 61.00 62.25 3dx9 s PRO 129 Cb -0.23 -2.05 0.29 0.00 0.05 0.00 0.00 34.50 32.56 3dx9 s PRO 129 CO -0.02 -0.74 0.82 -3.47 0.05 0.00 0.00 177.00 173.64 3dx9 n ASP 130 N -2.49 -0.99 -4.73 6.66 4.64 -0.03 -5.04 116.55 114.57 3dx9 n ASP 130 Ca 0.07 -3.18 -0.42 0.00 -1.38 0.00 0.00 54.79 49.88 3dx9 n ASP 130 Cb 0.54 0.59 -0.03 0.00 -1.04 0.00 0.00 41.12 41.18 3dx9 n ASP 130 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3dx9 s PRO 131 N -0.73 4.19 0.04 -0.67 0.04 -1.07 -4.64 135.00 132.16 3dx9 s PRO 131 Ca 0.32 2.44 -0.12 0.00 0.04 0.00 0.00 61.00 63.68 3dx9 s PRO 131 Cb 0.26 -3.11 0.01 0.00 0.04 0.00 0.00 34.50 31.71 3dx9 s PRO 131 CO -0.12 -0.62 0.26 0.00 0.04 0.00 0.00 177.00 176.56 3dx9 s ALA 132 N 0.87 -0.56 -0.27 8.56 0.00 -0.57 0.55 121.76 130.34 3dx9 s ALA 132 Ca 0.69 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.55 3dx9 s ALA 132 Cb -0.45 0.32 0.05 0.00 0.00 0.00 0.00 23.12 23.04 3dx9 s ALA 132 CO 0.35 -0.40 -0.09 0.08 0.00 0.00 0.00 175.76 175.70 3dx9 s VAL 133 N -2.62 2.39 0.18 0.00 1.01 -0.59 -0.95 120.40 119.82 3dx9 s VAL 133 Ca -0.05 -1.52 0.07 0.00 0.00 0.00 0.00 61.98 60.48 3dx9 s VAL 133 Cb -0.01 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 3dx9 s VAL 133 CO -0.04 -0.01 0.05 -0.31 0.00 0.00 0.00 175.10 174.79 3dx9 s TYR 134 N 1.16 2.94 -0.17 5.22 2.02 0.67 -4.44 117.35 124.73 3dx9 s TYR 134 Ca -0.07 -0.10 -0.08 0.00 -0.37 0.00 0.00 57.07 56.44 3dx9 s TYR 134 Cb -0.19 -1.41 -0.04 0.00 -0.40 0.00 0.00 41.96 39.91 3dx9 s TYR 134 CO -0.04 0.52 0.11 -1.14 -1.57 0.00 0.00 175.55 173.43 3dx9 s GLN 135 N -3.06 3.91 -0.06 -0.62 0.74 -1.26 0.01 119.66 119.31 3dx9 s GLN 135 Ca 0.29 -0.24 0.04 0.00 0.05 0.00 0.00 55.36 55.49 3dx9 s GLN 135 Cb -0.09 -3.28 -0.02 0.00 1.10 0.00 0.00 33.01 30.71 3dx9 s GLN 135 CO 0.20 0.42 -0.17 -0.51 -0.55 0.00 0.00 175.29 174.68 3dx9 s LEU 136 N -0.01 2.55 0.00 3.68 1.02 0.11 -4.98 118.68 121.05 3dx9 s LEU 136 Ca 0.08 -0.30 -0.02 0.00 0.02 0.00 0.00 54.13 53.91 3dx9 s LEU 136 Cb -0.12 -1.51 -0.04 0.00 0.02 0.00 0.00 46.19 44.54 3dx9 s LEU 136 CO 0.00 0.29 0.19 -0.13 0.02 0.00 0.00 176.35 176.72 3dx9 s ARG 137 N -0.43 3.44 0.58 1.70 1.81 -1.26 -1.09 118.95 123.69 3dx9 s ARG 137 Ca 0.05 -0.34 -0.20 0.00 -1.72 0.00 0.00 55.73 53.51 3dx9 s ARG 137 Cb -0.12 -3.09 -0.04 0.00 -0.45 0.00 0.00 34.95 31.26 3dx9 s ARG 137 CO 0.02 0.66 1.27 0.34 -0.68 0.00 0.00 175.30 176.92 3dx9 s ASP 138 N -2.04 5.18 0.25 0.23 -1.08 -1.02 -4.95 116.67 113.24 3dx9 s ASP 138 Ca 0.29 2.56 0.04 0.00 -0.52 0.00 0.00 52.55 54.92 3dx9 s ASP 138 Cb -0.13 -2.62 0.28 0.00 -1.46 0.00 0.00 42.92 39.00 3dx9 s ASP 138 CO 0.20 -1.61 1.58 -1.28 0.52 0.00 0.00 175.17 174.59 3dx9 h SER 139 N 1.13 0.29 0.73 -0.34 0.87 -1.95 -3.39 113.55 110.88 3dx9 h SER 139 Ca -0.51 -0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 59.86 3dx9 h SER 139 Cb 1.30 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 63.19 3dx9 h SER 139 CO 0.56 0.79 -0.35 0.11 -0.53 0.00 0.00 176.83 177.41 3dx9 h LYS 140 N 0.20 -0.94 0.00 2.24 1.57 -1.99 -3.48 116.57 114.17 3dx9 h LYS 140 Ca 0.00 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3dx9 h LYS 140 Cb 1.05 0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.57 3dx9 h LYS 140 CO 0.09 -0.63 0.00 0.45 -0.57 0.00 0.00 179.45 178.79 3dx9 n SER 141 N -5.27 0.00 -3.00 0.86 2.88 -1.26 -5.13 113.62 102.70 3dx9 n SER 141 Ca -0.12 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.25 3dx9 n SER 141 Cb 0.39 0.15 -0.02 0.00 -0.75 0.00 0.00 64.21 63.97 3dx9 n SER 141 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3dx9 n SER 142 N -1.58 -1.14 0.00 -3.46 3.41 -1.26 -5.06 113.62 104.53 3dx9 n SER 142 Ca 0.00 -2.96 0.00 0.00 -0.26 0.00 0.00 58.87 55.65 3dx9 n SER 142 Cb 0.00 0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3dx9 n SER 142 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3dx9 n ASP 143 N 1.49 0.00 -2.97 4.04 5.75 -1.26 -4.58 116.55 119.02 3dx9 n ASP 143 Ca 0.16 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.93 3dx9 n ASP 143 Cb 0.57 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.66 3dx9 n ASP 143 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3dx9 n LYS 144 N 0.00 -1.90 -3.99 0.11 5.02 -1.26 -5.11 118.16 111.02 3dx9 n LYS 144 Ca 0.00 1.76 -0.09 0.00 -2.02 0.00 0.00 58.31 57.95 3dx9 n LYS 144 Cb 0.00 -2.63 -0.06 0.00 -0.02 0.00 0.00 35.03 32.33 3dx9 n LYS 144 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3dx9 s SER 145 N -0.91 -0.08 0.04 4.39 1.04 -1.26 -2.44 113.70 114.49 3dx9 s SER 145 Ca -0.04 -0.93 -0.03 0.00 0.48 0.00 0.00 55.95 55.43 3dx9 s SER 145 Cb 0.00 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.67 3dx9 s SER 145 CO 0.31 -1.10 0.04 0.68 0.98 0.00 0.00 173.24 174.14 3dx9 s VAL 146 N -4.01 0.15 -0.15 5.02 -7.23 -0.25 -4.76 120.40 109.17 3dx9 s VAL 146 Ca 0.22 -1.26 -0.03 0.00 -1.81 0.00 0.00 61.98 59.11 3dx9 s VAL 146 Cb 0.00 -0.95 -0.02 0.00 0.56 0.00 0.00 36.38 35.97 3dx9 s VAL 146 CO 0.08 -0.69 -0.06 0.00 -0.31 0.00 0.00 175.10 174.11 3dx9 s LEU 148 N 0.38 3.27 -0.30 0.00 2.96 0.10 -0.94 118.68 124.14 3dx9 s LEU 148 Ca -0.06 -0.86 -0.13 0.00 -0.22 0.00 0.00 54.13 52.87 3dx9 s LEU 148 Cb -0.15 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 3dx9 s LEU 148 CO 0.04 -0.13 0.27 0.12 -1.32 0.00 0.00 176.35 175.32 3dx9 s PHE 149 N 1.34 3.23 0.20 5.38 5.36 -0.60 -0.24 117.98 132.65 3dx9 s PHE 149 Ca 0.00 0.10 -0.08 0.00 -0.96 0.00 0.00 56.93 56.00 3dx9 s PHE 149 Cb -0.17 -2.49 -0.02 0.00 -0.34 0.00 0.00 43.02 40.00 3dx9 s PHE 149 CO -0.04 -0.26 0.30 -0.08 -1.46 0.00 0.00 175.22 173.68 3dx9 s THR 150 N 1.87 0.03 -1.72 0.12 -1.32 -0.13 -1.02 115.64 113.47 3dx9 s THR 150 Ca 0.09 -1.59 0.00 0.00 -1.21 0.00 0.00 61.69 58.98 3dx9 s THR 150 Cb -0.16 -2.16 0.00 0.00 -1.51 0.00 0.00 72.50 68.67 3dx9 s THR 150 CO 0.11 -0.12 0.00 0.47 -2.21 0.00 0.00 174.62 172.87 3dx9 n ASP 151 N -0.28 -5.10 -4.88 8.08 9.92 -0.50 -1.52 116.55 122.27 3dx9 n ASP 151 Ca -0.03 0.27 -0.30 0.00 -0.53 0.00 0.00 54.79 54.21 3dx9 n ASP 151 Cb 0.63 -4.15 -0.03 0.00 -0.64 0.00 0.00 41.12 36.93 3dx9 n ASP 151 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3dx9 s PHE 152 N -2.72 3.47 0.66 1.24 -0.71 -1.26 -0.85 117.98 117.79 3dx9 s PHE 152 Ca 0.00 0.96 -0.13 0.00 -1.04 0.00 0.00 56.93 56.72 3dx9 s PHE 152 Cb 0.00 -2.37 -0.01 0.00 -1.21 0.00 0.00 43.02 39.44 3dx9 s PHE 152 CO 0.00 -0.03 1.06 0.16 -1.34 0.00 0.00 175.22 175.07 3dx9 s ASP 153 N -3.12 5.45 0.00 1.98 1.47 -1.26 -4.47 116.67 116.72 3dx9 s ASP 153 Ca 0.50 1.75 0.21 0.00 1.18 0.00 0.00 52.55 56.18 3dx9 s ASP 153 Cb -0.10 -2.52 1.06 0.00 -0.34 0.00 0.00 42.92 41.02 3dx9 s ASP 153 CO 0.30 -1.39 1.67 -1.20 0.68 0.00 0.00 175.17 175.24 3dx9 n SER 154 N -2.65 0.00 0.21 2.11 7.64 -1.26 -1.41 113.62 118.26 3dx9 n SER 154 Ca 0.08 0.00 0.10 0.00 1.01 0.00 0.00 58.87 60.07 3dx9 n SER 154 Cb 0.53 -0.29 0.29 0.00 -1.01 0.00 0.00 64.21 63.73 3dx9 n SER 154 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3dx9 h GLN 155 N 0.00 0.00 -6.55 1.43 1.08 -1.94 -3.45 115.11 105.67 3dx9 h GLN 155 Ca 0.00 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.67 3dx9 h GLN 155 Cb 0.20 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.64 3dx9 h GLN 155 CO 0.00 0.17 0.56 0.99 -0.95 0.00 0.00 178.83 179.61 3dx9 s THR 156 N -3.33 3.83 -0.10 -0.54 2.01 -0.50 -5.04 115.64 111.96 3dx9 s THR 156 Ca 0.04 1.39 0.02 0.00 0.31 0.00 0.00 61.69 63.45 3dx9 s THR 156 Cb 0.08 -3.89 -0.01 0.00 0.01 0.00 0.00 72.50 68.68 3dx9 s THR 156 CO 0.66 0.15 -0.17 0.20 -0.69 0.00 0.00 174.62 174.77 3dx9 s ASN 157 N 0.69 3.72 -0.13 3.53 0.01 -1.26 -4.97 114.94 116.53 3dx9 s ASN 157 Ca 0.57 -0.38 -0.19 0.00 -0.71 0.00 0.00 52.86 52.15 3dx9 s ASN 157 Cb -0.31 -1.37 -0.04 0.00 0.41 0.00 0.00 41.25 39.94 3dx9 s ASN 157 CO 0.32 0.20 0.51 0.54 -1.51 0.00 0.00 177.10 177.16 3dx9 s VAL 158 N 0.13 5.15 0.38 1.60 0.11 -1.26 -4.41 120.40 122.10 3dx9 s VAL 158 Ca -0.09 1.01 -0.02 0.00 -2.93 0.00 0.00 61.98 59.95 3dx9 s VAL 158 Cb -0.15 -3.85 -0.04 0.00 -1.53 0.00 0.00 36.38 30.81 3dx9 s VAL 158 CO 0.05 0.28 0.62 -0.55 -3.33 0.00 0.00 175.10 172.17 3dx9 s SER 159 N 0.78 6.31 0.05 3.54 0.15 -1.26 -4.82 113.70 118.45 3dx9 s SER 159 Ca 0.27 0.63 -0.30 0.00 0.70 0.00 0.00 55.95 57.25 3dx9 s SER 159 Cb -0.15 -2.11 -0.04 0.00 -1.71 0.00 0.00 66.02 62.00 3dx9 s SER 159 CO 0.11 -0.36 1.00 -1.10 1.20 0.00 0.00 173.24 174.09 3dx9 s GLN 160 N -4.32 4.60 0.14 5.44 -1.52 -1.26 -4.82 119.66 117.92 3dx9 s GLN 160 Ca 0.43 1.48 -0.31 0.00 -1.95 0.00 0.00 55.36 55.01 3dx9 s GLN 160 Cb -0.10 -3.41 -0.09 0.00 -0.22 0.00 0.00 33.01 29.19 3dx9 s GLN 160 CO 0.38 0.03 1.51 -1.54 -0.25 0.00 0.00 175.29 175.41 3dx9 s SER 161 N 0.60 6.68 0.00 5.90 1.04 -1.26 -4.90 113.70 121.75 3dx9 s SER 161 Ca 0.51 2.50 0.26 0.00 0.48 0.00 0.00 55.95 59.70 3dx9 s SER 161 Cb -0.23 -2.59 0.77 0.00 0.10 0.00 0.00 66.02 64.07 3dx9 s SER 161 CO 0.29 -0.77 1.60 0.29 0.98 0.00 0.00 173.24 175.63 3dx9 n LYS 162 N 4.07 0.05 -2.32 4.02 5.02 -1.26 -4.62 118.16 123.11 3dx9 n LYS 162 Ca 0.13 -0.02 -0.43 0.00 -2.02 0.00 0.00 58.31 55.97 3dx9 n LYS 162 Cb 0.40 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.89 3dx9 n LYS 162 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3dx9 s ASP 163 N -2.97 6.48 0.30 4.39 -1.08 -1.26 -4.93 116.67 117.61 3dx9 s ASP 163 Ca 0.13 1.19 0.08 0.00 -0.52 0.00 0.00 52.55 53.43 3dx9 s ASP 163 Cb 0.18 -2.54 0.47 0.00 -1.46 0.00 0.00 42.92 39.58 3dx9 s ASP 163 CO 0.63 -1.24 1.70 0.28 0.52 0.00 0.00 175.17 177.06 3dx9 h SER 164 N 10.14 0.18 0.57 -0.34 0.02 -2.03 -2.36 113.55 119.72 3dx9 h SER 164 Ca -0.28 -0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 60.53 3dx9 h SER 164 Cb 1.11 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 3dx9 h SER 164 CO 1.04 0.60 -0.28 0.44 -1.14 0.00 0.00 176.83 177.50 3dx9 h ASP 165 N 0.14 0.00 -3.41 3.07 5.19 -1.96 -3.43 116.42 116.02 3dx9 h ASP 165 Ca 0.01 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 55.87 3dx9 h ASP 165 Cb 0.85 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.32 3dx9 h ASP 165 CO 0.07 0.28 0.12 -0.69 -3.12 0.00 0.00 179.24 175.90 3dx9 s VAL 166 N -3.97 4.69 -0.18 -1.35 1.01 -0.89 -4.43 120.40 115.29 3dx9 s VAL 166 Ca -0.02 1.56 0.00 0.00 0.00 0.00 0.00 61.98 63.52 3dx9 s VAL 166 Cb 0.13 -4.08 0.01 0.00 0.00 0.00 0.00 36.38 32.44 3dx9 s VAL 166 CO 0.66 0.41 -0.17 -0.31 0.00 0.00 0.00 175.10 175.69 3dx9 s TYR 167 N -0.35 2.81 -0.11 5.22 2.02 0.19 -4.79 117.35 122.34 3dx9 s TYR 167 Ca 0.36 -1.47 0.03 0.00 -0.37 0.00 0.00 57.07 55.62 3dx9 s TYR 167 Cb -0.21 -1.95 -0.01 0.00 -0.40 0.00 0.00 41.96 39.40 3dx9 s TYR 167 CO 0.22 -0.73 -0.20 0.42 -1.57 0.00 0.00 175.55 173.69 3dx9 s ILE 168 N 1.27 2.44 0.63 2.71 1.01 -1.26 -1.03 121.20 126.97 3dx9 s ILE 168 Ca 0.04 -0.89 -0.07 0.00 0.00 0.00 0.00 60.65 59.73 3dx9 s ILE 168 Cb -0.14 -1.97 0.01 0.00 0.01 0.00 0.00 42.46 40.38 3dx9 s ILE 168 CO -0.10 0.55 0.96 0.42 0.00 0.00 0.00 174.94 176.77 3dx9 s THR 169 N 0.27 3.52 0.69 2.92 -4.23 0.27 -4.72 115.64 114.36 3dx9 s THR 169 Ca -0.14 0.12 -0.11 0.00 -1.18 0.00 0.00 61.69 60.38 3dx9 s THR 169 Cb -0.17 -3.43 0.01 0.00 1.34 0.00 0.00 72.50 70.25 3dx9 s THR 169 CO 0.07 -0.48 1.06 -0.62 -0.54 0.00 0.00 174.62 174.11 3dx9 s ASP 170 N -4.33 5.38 0.58 3.99 -1.08 -1.26 -4.48 116.67 115.46 3dx9 s ASP 170 Ca 0.55 1.63 -0.16 0.00 -0.52 0.00 0.00 52.55 54.05 3dx9 s ASP 170 Cb -0.11 -2.50 -0.04 0.00 -1.46 0.00 0.00 42.92 38.81 3dx9 s ASP 170 CO 0.47 -1.45 1.05 -1.59 0.52 0.00 0.00 175.17 174.18 3dx9 s LYS 171 N -5.02 3.40 -0.10 4.34 -2.85 -1.26 -4.67 119.74 113.58 3dx9 s LYS 171 Ca 0.58 1.22 -0.05 0.00 -1.00 0.00 0.00 55.97 56.72 3dx9 s LYS 171 Cb -0.14 -2.04 0.05 0.00 -2.06 0.00 0.00 37.83 33.63 3dx9 s LYS 171 CO 0.55 -0.75 0.23 0.00 0.10 0.00 0.00 175.35 175.48 3dx9 s VAL 173 N 1.49 5.32 0.11 0.00 1.01 -1.26 -1.57 120.40 125.49 3dx9 s VAL 173 Ca -0.07 0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.20 3dx9 s VAL 173 Cb -0.11 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 3dx9 s VAL 173 CO -0.08 0.29 -0.01 -1.48 0.00 0.00 0.00 175.10 173.81 3dx9 s LEU 174 N 1.43 3.37 -0.26 3.92 0.05 0.10 -4.95 118.68 122.35 3dx9 s LEU 174 Ca 0.08 -0.25 0.02 0.00 0.05 0.00 0.00 54.13 54.03 3dx9 s LEU 174 Cb -0.15 -2.10 0.06 0.00 -2.05 0.00 0.00 46.19 41.96 3dx9 s LEU 174 CO 0.08 0.15 -0.07 -0.62 -0.55 0.00 0.00 176.35 175.34 3dx9 s ASP 175 N -2.45 4.22 -0.97 1.48 2.15 -1.26 -1.28 116.67 118.57 3dx9 s ASP 175 Ca 0.26 -1.38 -0.24 0.00 0.43 0.00 0.00 52.55 51.62 3dx9 s ASP 175 Cb -0.11 -1.39 0.04 0.00 -0.30 0.00 0.00 42.92 41.16 3dx9 s ASP 175 CO 0.18 -0.23 1.46 -0.04 -0.17 0.00 0.00 175.17 176.37 3dx9 s MET 176 N 1.22 3.45 0.46 4.34 -1.94 0.27 -4.81 119.30 122.29 3dx9 s MET 176 Ca -0.06 -0.92 0.20 0.00 -1.71 0.00 0.00 55.69 53.21 3dx9 s MET 176 Cb -0.19 -5.16 1.12 0.00 2.01 0.00 0.00 34.83 32.60 3dx9 s MET 176 CO -0.06 -2.29 1.97 0.00 -0.01 0.00 0.00 175.02 174.63 3dx9 h ARG 177 N 10.00 0.00 -0.85 2.03 3.08 -1.97 -1.47 114.38 125.20 3dx9 h ARG 177 Ca 0.12 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.26 3dx9 h ARG 177 Cb 1.02 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.00 3dx9 h ARG 177 CO 1.39 0.21 0.50 1.03 -1.07 0.00 0.00 179.97 182.03 3dx9 h SER 178 N 0.00 0.75 -0.14 7.04 0.87 -1.96 -3.14 113.55 116.97 3dx9 h SER 178 Ca -0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3dx9 h SER 178 Cb 0.45 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 3dx9 h SER 178 CO 0.03 0.44 0.00 0.23 -0.53 0.00 0.00 176.83 177.00 3dx9 n MET 179 N -4.69 1.49 -3.44 2.24 2.81 -0.97 -5.02 117.12 109.54 3dx9 n MET 179 Ca 0.14 -1.46 -0.20 0.00 -1.81 0.00 0.00 57.70 54.37 3dx9 n MET 179 Cb 0.25 -1.19 0.04 0.00 -0.71 0.00 0.00 33.22 31.61 3dx9 n MET 179 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3dx9 n ASP 180 N 0.42 -6.19 -3.69 7.83 -0.08 -0.59 -5.01 116.55 109.24 3dx9 n ASP 180 Ca 0.07 -0.73 -0.14 0.00 -1.51 0.00 0.00 54.79 52.49 3dx9 n ASP 180 Cb 0.30 -4.13 -0.13 0.00 2.34 0.00 0.00 41.12 39.50 3dx9 n ASP 180 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 3dx9 s PHE 181 N -3.30 -0.36 0.06 -0.67 5.36 -1.05 -5.03 117.98 113.00 3dx9 s PHE 181 Ca 0.32 0.86 0.04 0.00 -0.96 0.00 0.00 56.93 57.19 3dx9 s PHE 181 Cb -0.09 -0.04 -0.04 0.00 -0.34 0.00 0.00 43.02 42.52 3dx9 s PHE 181 CO 0.81 -0.30 -0.01 0.15 -1.46 0.00 0.00 175.22 174.41 3dx9 s LYS 182 N 2.00 2.59 -0.06 10.12 -0.14 -1.26 -0.56 119.74 132.42 3dx9 s LYS 182 Ca -0.02 -0.78 -0.14 0.00 -1.36 0.00 0.00 55.97 53.66 3dx9 s LYS 182 Cb -0.11 -2.56 0.03 0.00 -1.68 0.00 0.00 37.83 33.51 3dx9 s LYS 182 CO -0.08 0.56 0.34 -1.54 -0.76 0.00 0.00 175.35 173.87 3dx9 s SER 183 N -2.06 -0.28 0.13 2.83 1.04 -0.40 -4.97 113.70 109.98 3dx9 s SER 183 Ca 0.23 0.35 0.01 0.00 0.48 0.00 0.00 55.95 57.03 3dx9 s SER 183 Cb -0.12 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 3dx9 s SER 183 CO 0.15 -0.33 0.28 0.20 0.98 0.00 0.00 173.24 174.53 3dx9 s ASN 184 N -0.73 6.37 -0.27 7.02 0.01 -1.26 -0.72 114.94 125.36 3dx9 s ASN 184 Ca -0.08 0.27 -0.25 0.00 -0.71 0.00 0.00 52.86 52.09 3dx9 s ASN 184 Cb -0.04 -1.96 0.09 0.00 0.41 0.00 0.00 41.25 39.75 3dx9 s ASN 184 CO 0.03 0.07 0.83 -0.94 -1.51 0.00 0.00 177.10 175.59 3dx9 s SER 185 N -2.92 -0.64 0.29 -1.22 1.04 -0.61 -1.41 113.70 108.23 3dx9 s SER 185 Ca 0.36 1.22 0.11 0.00 0.48 0.00 0.00 55.95 58.11 3dx9 s SER 185 Cb -0.12 1.23 -0.05 0.00 0.10 0.00 0.00 66.02 67.18 3dx9 s SER 185 CO 0.28 -0.22 -0.14 0.00 0.98 0.00 0.00 173.24 174.14 3dx9 s ALA 186 N 0.27 2.88 -0.03 5.32 0.00 -0.19 -0.55 121.76 129.46 3dx9 s ALA 186 Ca 0.01 -1.87 0.04 0.00 0.00 0.00 0.00 51.96 50.14 3dx9 s ALA 186 Cb -0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 3dx9 s ALA 186 CO -0.01 0.24 -0.15 0.08 0.00 0.00 0.00 175.76 175.92 3dx9 s VAL 187 N -2.49 1.20 0.03 0.00 1.01 -1.26 -1.56 120.40 117.33 3dx9 s VAL 187 Ca 0.31 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.74 3dx9 s VAL 187 Cb -0.04 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 3dx9 s VAL 187 CO 0.16 0.35 -0.19 0.00 0.00 0.00 0.00 175.10 175.43 3dx9 s ALA 188 N -0.08 1.57 0.22 5.51 0.00 -0.12 -0.57 121.76 128.29 3dx9 s ALA 188 Ca 0.00 -0.94 -0.15 0.00 0.00 0.00 0.00 51.96 50.87 3dx9 s ALA 188 Cb -0.09 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.73 3dx9 s ALA 188 CO 0.01 0.35 0.49 1.67 0.00 0.00 0.00 175.76 178.28 3dx9 s TRP 189 N -0.72 0.11 0.16 0.00 -2.14 -0.19 -0.79 118.94 115.36 3dx9 s TRP 189 Ca 0.06 -0.47 -0.25 0.00 2.66 0.00 0.00 56.10 58.10 3dx9 s TRP 189 Cb -0.08 0.29 0.07 0.00 -3.10 0.00 0.00 33.47 30.65 3dx9 s TRP 189 CO 0.01 -0.94 0.98 0.45 -2.66 0.00 0.00 176.95 174.79 3dx9 s SER 190 N -2.94 -0.14 -0.01 -2.66 0.15 -1.26 -0.64 113.70 106.20 3dx9 s SER 190 Ca 0.15 -0.45 0.18 0.00 0.70 0.00 0.00 55.95 56.52 3dx9 s SER 190 Cb -0.01 0.49 -0.23 0.00 -1.71 0.00 0.00 66.02 64.56 3dx9 s SER 190 CO 0.02 -0.91 0.57 0.59 1.20 0.00 0.00 173.24 174.71 3dx9 n ASN 191 N -0.60 0.87 -4.53 5.45 4.13 -1.26 -4.96 115.26 114.35 3dx9 n ASN 191 Ca -0.06 -0.46 -0.35 0.00 1.68 0.00 0.00 54.58 55.39 3dx9 n ASN 191 Cb 0.61 1.40 0.10 0.00 -1.54 0.00 0.00 39.78 40.34 3dx9 n ASN 191 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3dx9 n LYS 192 N -1.76 0.20 0.22 3.52 5.02 -1.26 -4.91 118.16 119.19 3dx9 n LYS 192 Ca 0.00 0.12 0.11 0.00 -2.02 0.00 0.00 58.31 56.53 3dx9 n LYS 192 Cb 0.37 -2.04 0.24 0.00 -0.02 0.00 0.00 35.03 33.58 3dx9 n LYS 192 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3dx9 h SER 193 N -0.69 0.00 -0.01 4.39 0.02 -2.05 -3.28 113.55 111.93 3dx9 h SER 193 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3dx9 h SER 193 Cb 1.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.86 3dx9 h SER 193 CO 0.42 0.08 -0.09 -0.90 -1.14 0.00 0.00 176.83 175.21 3dx9 n ASP 194 N -3.13 1.86 -4.67 3.07 5.75 -1.26 -4.88 116.55 113.28 3dx9 n ASP 194 Ca 0.03 -1.43 -0.42 0.00 -0.01 0.00 0.00 54.79 52.96 3dx9 n ASP 194 Cb 0.52 0.17 -0.03 0.00 -1.03 0.00 0.00 41.12 40.75 3dx9 n ASP 194 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3dx9 s PHE 195 N -1.28 2.00 0.24 2.11 5.36 -1.24 -4.99 117.98 120.19 3dx9 s PHE 195 Ca 0.14 0.07 -0.03 0.00 -0.96 0.00 0.00 56.93 56.14 3dx9 s PHE 195 Cb 0.11 -4.04 -0.03 0.00 -0.34 0.00 0.00 43.02 38.72 3dx9 s PHE 195 CO 0.22 -4.37 0.26 0.00 -1.46 0.00 0.00 175.22 169.88 3dx9 s ALA 196 N 3.45 0.87 0.24 11.12 0.00 -1.26 -4.96 121.76 131.22 3dx9 s ALA 196 Ca 0.78 -1.53 0.08 0.00 0.00 0.00 0.00 51.96 51.29 3dx9 s ALA 196 Cb -0.39 1.30 0.23 0.00 0.00 0.00 0.00 23.12 24.26 3dx9 s ALA 196 CO 0.34 -0.68 1.54 0.00 0.00 0.00 0.00 175.76 176.96 3dx9 h ALA 198 N 1.25 1.98 -0.01 0.00 0.00 -1.97 -2.89 119.26 117.64 3dx9 h ALA 198 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dx9 h ALA 198 Cb 1.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3dx9 h ALA 198 CO 0.09 -0.20 -0.06 0.27 0.00 0.00 0.00 179.25 179.35 3dx9 n ASN 199 N -4.51 1.31 -0.28 0.00 0.23 -1.11 -4.73 115.26 106.16 3dx9 n ASN 199 Ca 0.16 -1.15 0.15 0.00 -0.53 0.00 0.00 54.58 53.21 3dx9 n ASN 199 Cb 0.50 0.21 0.43 0.00 -2.08 0.00 0.00 39.78 38.83 3dx9 n ASN 199 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3dx9 h ALA 200 N 1.25 1.97 -0.64 -2.53 0.00 -0.28 0.21 119.26 119.24 3dx9 h ALA 200 Ca 0.00 0.03 -0.37 0.00 0.00 0.00 0.00 54.91 54.57 3dx9 h ALA 200 Cb 0.26 -0.07 -0.21 0.00 0.00 0.00 0.00 17.79 17.76 3dx9 h ALA 200 CO 0.00 -0.26 0.16 1.19 0.00 0.00 0.00 179.25 180.34 3dx9 n PHE 201 N -4.58 2.03 0.03 0.00 3.72 -1.26 -4.68 117.46 112.72 3dx9 n PHE 201 Ca 0.20 -1.91 0.00 0.00 -0.05 0.00 0.00 57.45 55.68 3dx9 n PHE 201 Cb 0.60 -0.72 0.02 0.00 -0.94 0.00 0.00 39.48 38.43 3dx9 n PHE 201 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3dx9 n ASN 202 N -1.07 0.00 -0.42 4.37 4.13 0.74 -1.43 115.26 121.58 3dx9 n ASN 202 Ca 0.45 0.38 0.07 0.00 1.68 0.00 0.00 54.58 57.16 3dx9 n ASN 202 Cb 1.15 -0.38 0.02 0.00 -1.54 0.00 0.00 39.78 39.03 3dx9 n ASN 202 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3dx9 n ASN 203 N -1.38 1.77 -4.97 6.41 2.85 -1.26 -4.98 115.26 113.70 3dx9 n ASN 203 Ca 0.00 -1.39 -0.19 0.00 -0.11 0.00 0.00 54.58 52.90 3dx9 n ASN 203 Cb 0.01 0.30 0.01 0.00 1.24 0.00 0.00 39.78 41.33 3dx9 n ASN 203 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 3dx9 s SER 204 N -1.55 5.33 -0.91 1.20 0.01 -0.51 -4.71 113.70 112.56 3dx9 s SER 204 Ca 0.14 -0.63 -0.01 0.00 1.31 0.00 0.00 55.95 56.75 3dx9 s SER 204 Cb 0.12 -0.41 0.26 0.00 0.21 0.00 0.00 66.02 66.20 3dx9 s SER 204 CO 0.29 -0.85 1.03 -0.38 0.41 0.00 0.00 173.24 173.74 3dx9 n ILE 205 N -1.83 3.72 -1.73 1.44 5.41 -1.26 -5.02 119.36 120.10 3dx9 n ILE 205 Ca 0.07 -5.43 -0.34 0.00 1.00 0.00 0.00 62.75 58.06 3dx9 n ILE 205 Cb 0.61 -2.23 0.06 0.00 -0.71 0.00 0.00 39.64 37.36 3dx9 n ILE 205 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 3dx9 s ILE 206 N -2.10 2.89 0.70 1.39 -4.36 -1.26 -4.80 121.20 113.66 3dx9 s ILE 206 Ca 0.32 0.45 -0.12 0.00 -0.26 0.00 0.00 60.65 61.04 3dx9 s ILE 206 Cb 0.02 -3.00 0.02 0.00 1.25 0.00 0.00 42.46 40.74 3dx9 s ILE 206 CO -0.02 -0.23 1.07 -2.16 0.24 0.00 0.00 174.94 173.85 3dx9 s PRO 207 N -3.89 2.78 0.36 0.37 0.04 -1.26 -4.93 135.00 128.47 3dx9 s PRO 207 Ca 0.71 1.09 0.03 0.00 0.04 0.00 0.00 61.00 62.86 3dx9 s PRO 207 Cb -0.24 -1.97 0.67 0.00 0.04 0.00 0.00 34.50 33.00 3dx9 s PRO 207 CO 0.40 -1.23 2.01 0.93 0.04 0.00 0.00 177.00 179.15 3dx9 h GLU 208 N -0.62 0.75 -0.19 4.56 5.08 -2.02 -2.70 114.58 119.43 3dx9 h GLU 208 Ca -0.44 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3dx9 h GLU 208 Cb 1.22 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3dx9 h GLU 208 CO 0.55 0.52 0.00 -0.40 -1.00 0.00 0.00 179.01 178.68 3dx9 n ASP 209 N -4.43 1.03 -4.68 1.42 5.75 -1.26 -4.95 116.55 109.42 3dx9 n ASP 209 Ca 0.05 -1.98 -0.45 0.00 -0.01 0.00 0.00 54.79 52.40 3dx9 n ASP 209 Cb 0.06 -0.13 -0.03 0.00 -1.03 0.00 0.00 41.12 40.00 3dx9 n ASP 209 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 3dx9 n THR 210 N 0.05 0.61 -2.98 2.12 -1.04 -1.02 -4.81 114.28 107.21 3dx9 n THR 210 Ca 0.07 -0.15 -0.41 0.00 -2.04 0.00 0.00 64.05 61.51 3dx9 n THR 210 Cb 0.16 -1.60 -0.05 0.00 -1.82 0.00 0.00 70.33 67.03 3dx9 n THR 210 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 3dx9 s PHE 211 N 0.33 3.32 -0.36 -1.42 5.36 0.19 -4.95 117.98 120.45 3dx9 s PHE 211 Ca 0.71 1.03 0.02 0.00 -0.96 0.00 0.00 56.93 57.73 3dx9 s PHE 211 Cb -0.63 -2.95 0.10 0.00 -0.34 0.00 0.00 43.02 39.20 3dx9 s PHE 211 CO 0.45 -0.34 0.09 -0.06 -1.46 0.00 0.00 175.22 173.90 3dx9 s PHE 212 N 2.57 3.72 0.58 10.12 0.08 -1.26 -1.54 117.98 132.25 3dx9 s PHE 212 Ca 0.32 -2.86 -0.18 0.00 0.12 0.00 0.00 56.93 54.33 3dx9 s PHE 212 Cb -0.16 -3.00 -0.15 0.00 -0.57 0.00 0.00 43.02 39.14 3dx9 s PHE 212 CO 0.08 -0.96 -0.19 -2.30 -0.10 0.00 0.00 175.22 171.75 3dx9 n PRO 213 N 4.33 0.02 -3.43 0.24 -0.02 -1.26 -5.01 135.00 129.87 3dx9 n PRO 213 Ca 0.02 0.01 -0.15 0.00 -2.02 0.00 0.00 63.50 61.36 3dx9 n PRO 213 Cb 0.42 -1.04 -0.11 0.00 -0.02 0.00 0.00 33.50 32.75 3dx9 n PRO 213 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3dx9 s SER 214 N -1.01 1.01 0.00 2.55 1.04 -1.26 -5.08 113.70 110.95 3dx9 s SER 214 Ca 0.55 -0.13 0.31 0.00 0.48 0.00 0.00 55.95 57.16 3dx9 s SER 214 Cb -0.45 0.65 1.72 0.00 0.10 0.00 0.00 66.02 68.05 3dx9 s SER 214 CO 0.68 -0.32 2.12 -2.65 0.98 0.00 0.00 173.24 174.05