#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddr s ILE 2 N 0.00 4.76 0.06 3.17 1.09 -1.26 -1.64 121.20 127.39 1ddr s ILE 2 Ca 0.00 -0.14 0.08 0.00 -1.10 0.00 0.00 60.65 59.49 1ddr s ILE 2 Cb 0.00 -3.31 -0.03 0.00 -1.06 0.00 0.00 42.46 38.05 1ddr s ILE 2 CO 0.00 0.21 -0.21 -0.44 -0.10 0.00 0.00 174.94 174.40 1ddr s SER 3 N 1.67 3.57 -0.05 3.58 0.01 -0.66 -0.82 113.70 121.00 1ddr s SER 3 Ca 0.06 -0.53 0.04 0.00 1.31 0.00 0.00 55.95 56.84 1ddr s SER 3 Cb -0.16 -0.47 -0.02 0.00 0.21 0.00 0.00 66.02 65.58 1ddr s SER 3 CO 0.07 0.24 -0.17 -0.76 0.41 0.00 0.00 173.24 173.03 1ddr s LEU 4 N -1.53 2.57 -0.06 2.44 1.02 -0.44 -1.08 118.68 121.60 1ddr s LEU 4 Ca 0.14 -0.27 0.03 0.00 0.02 0.00 0.00 54.13 54.05 1ddr s LEU 4 Cb -0.10 -1.51 0.00 0.00 0.02 0.00 0.00 46.19 44.61 1ddr s LEU 4 CO 0.05 0.32 -0.15 -0.51 0.02 0.00 0.00 176.35 176.08 1ddr s ILE 5 N -0.60 1.34 0.15 -0.59 2.07 -0.87 -0.60 121.20 122.10 1ddr s ILE 5 Ca 0.09 -0.63 -0.17 0.00 -1.41 0.00 0.00 60.65 58.53 1ddr s ILE 5 Cb -0.11 -1.19 0.03 0.00 0.13 0.00 0.00 42.46 41.33 1ddr s ILE 5 CO 0.01 0.40 0.45 0.00 -1.91 0.00 0.00 174.94 173.89 1ddr s ALA 6 N 0.37 -0.94 -0.14 1.50 0.00 -0.13 -4.50 121.76 117.92 1ddr s ALA 6 Ca -0.11 -0.11 0.02 0.00 0.00 0.00 0.00 51.96 51.76 1ddr s ALA 6 Cb -0.14 0.77 0.01 0.00 0.00 0.00 0.00 23.12 23.76 1ddr s ALA 6 CO 0.04 -0.71 -0.20 0.00 0.00 0.00 0.00 175.76 174.89 1ddr s ALA 7 N -3.83 2.32 0.33 0.00 0.00 -1.26 -2.58 121.76 116.73 1ddr s ALA 7 Ca 0.06 -1.09 0.08 0.00 0.00 0.00 0.00 51.96 51.01 1ddr s ALA 7 Cb 0.01 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 1ddr s ALA 7 CO -0.08 -0.04 0.15 -0.51 0.00 0.00 0.00 175.76 175.28 1ddr s LEU 8 N 0.83 3.34 0.46 0.00 1.43 0.73 -4.76 118.68 120.70 1ddr s LEU 8 Ca -0.06 -0.69 0.03 0.00 -1.03 0.00 0.00 54.13 52.38 1ddr s LEU 8 Cb -0.15 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1ddr s LEU 8 CO -0.02 -0.26 0.03 0.00 0.23 0.00 0.00 176.35 176.33 1ddr s ALA 9 N -2.38 3.56 0.24 4.21 0.00 -0.69 -0.72 121.76 125.98 1ddr s ALA 9 Ca 0.37 -1.05 -0.31 0.00 0.00 0.00 0.00 51.96 50.97 1ddr s ALA 9 Cb -0.04 0.25 -0.14 0.00 0.00 0.00 0.00 23.12 23.19 1ddr s ALA 9 CO 0.23 -0.12 1.35 1.33 0.00 0.00 0.00 175.76 178.55 1ddr n VAL 10 N -1.09 1.04 -2.00 0.00 0.24 -1.21 -1.15 118.33 114.17 1ddr n VAL 10 Ca -0.13 -0.26 -0.11 0.00 -2.04 0.00 0.00 64.34 61.81 1ddr n VAL 10 Cb 0.67 -1.38 -0.02 0.00 -1.47 0.00 0.00 33.84 31.64 1ddr n VAL 10 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1ddr n ASP 11 N 2.02 -3.76 -1.25 -1.34 8.00 -1.26 -3.46 116.55 115.50 1ddr n ASP 11 Ca 0.12 0.06 -0.16 0.00 0.71 0.00 0.00 54.79 55.52 1ddr n ASP 11 Cb 0.31 -2.82 -0.06 0.00 -0.02 0.00 0.00 41.12 38.53 1ddr n ASP 11 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ddr n ARG 12 N -2.20 -1.10 -2.13 -1.24 1.74 -0.30 -4.88 116.66 106.55 1ddr n ARG 12 Ca -0.13 1.03 -0.42 0.00 -0.77 0.00 0.00 57.85 57.56 1ddr n ARG 12 Cb 0.54 -5.20 -0.03 0.00 -1.02 0.00 0.00 32.46 26.75 1ddr n ARG 12 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ddr s VAL 13 N -2.60 3.31 0.28 1.55 1.01 -1.18 -1.15 120.40 121.62 1ddr s VAL 13 Ca 0.00 0.87 0.08 0.00 0.00 0.00 0.00 61.98 62.93 1ddr s VAL 13 Cb 0.00 -3.56 -0.06 0.00 0.00 0.00 0.00 36.38 32.76 1ddr s VAL 13 CO 0.00 0.04 -0.09 0.27 0.00 0.00 0.00 175.10 175.32 1ddr s ILE 14 N 1.63 1.85 0.99 2.22 -4.36 -0.97 -1.70 121.20 120.86 1ddr s ILE 14 Ca 0.66 -2.18 -0.14 0.00 -0.26 0.00 0.00 60.65 58.73 1ddr s ILE 14 Cb -0.36 -2.40 0.08 0.00 1.25 0.00 0.00 42.46 41.02 1ddr s ILE 14 CO 0.30 -0.34 0.46 0.61 0.24 0.00 0.00 174.94 176.21 1ddr n GLY 15 N -0.59 -1.89 0.00 6.27 0.00 -1.26 -4.54 105.19 103.18 1ddr n GLY 15 Ca -0.06 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1ddr n GLY 15 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ddr n MET 16 N -2.31 0.05 0.00 1.61 1.56 -1.26 -4.73 117.12 112.04 1ddr n MET 16 Ca 0.06 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.49 1ddr n MET 16 Cb 0.55 -0.51 0.00 0.00 2.15 0.00 0.00 33.22 35.41 1ddr n MET 16 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1ddr n GLU 17 N -0.80 0.00 -0.84 2.12 2.13 -1.26 -4.97 120.64 117.01 1ddr n GLU 17 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 1ddr n GLU 17 Cb 0.01 0.00 0.18 0.00 0.27 0.00 0.00 31.44 31.90 1ddr n GLU 17 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1ddr s ASN 18 N -0.33 2.61 0.65 4.31 0.01 -1.26 -4.88 114.94 116.04 1ddr s ASN 18 Ca 0.00 1.76 -0.15 0.00 -0.71 0.00 0.00 52.86 53.76 1ddr s ASN 18 Cb 0.00 -2.37 -0.01 0.00 0.41 0.00 0.00 41.25 39.28 1ddr s ASN 18 CO 0.00 -3.23 1.09 0.00 -1.51 0.00 0.00 177.10 173.45 1ddr s ALA 19 N -2.70 2.56 0.14 0.60 0.00 -1.26 -4.94 121.76 116.16 1ddr s ALA 19 Ca 0.66 0.44 -0.30 0.00 0.00 0.00 0.00 51.96 52.76 1ddr s ALA 19 Cb -0.22 -3.27 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 1ddr s ALA 19 CO 0.59 -1.15 0.99 -1.64 0.00 0.00 0.00 175.76 174.56 1ddr s MET 20 N -4.22 4.69 -0.57 0.00 -1.94 -1.26 -4.96 119.30 111.05 1ddr s MET 20 Ca 0.65 1.52 -0.14 0.00 -1.71 0.00 0.00 55.69 56.01 1ddr s MET 20 Cb -0.18 -3.35 -0.12 0.00 2.01 0.00 0.00 34.83 33.19 1ddr s MET 20 CO 0.42 0.21 1.77 -0.35 -0.01 0.00 0.00 175.02 177.05 1ddr n PRO 21 N 2.60 1.21 -3.76 2.03 -0.04 -1.26 -4.76 135.00 131.01 1ddr n PRO 21 Ca 0.02 -1.34 -0.03 0.00 -0.04 0.00 0.00 63.50 62.11 1ddr n PRO 21 Cb 0.48 -2.52 -0.01 0.00 -0.04 0.00 0.00 33.50 31.41 1ddr n PRO 21 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1ddr s TRP 22 N 4.73 -0.11 -0.34 0.54 -2.14 -1.26 -5.02 118.94 115.36 1ddr s TRP 22 Ca 0.42 -0.21 -0.01 0.00 2.66 0.00 0.00 56.10 58.97 1ddr s TRP 22 Cb 0.10 0.64 0.13 0.00 -3.10 0.00 0.00 33.47 31.25 1ddr s TRP 22 CO 0.08 -0.83 0.21 1.21 -2.66 0.00 0.00 176.95 174.96 1ddr s ASN 23 N -2.98 2.91 -0.44 -2.66 3.84 -1.26 -5.03 114.94 109.31 1ddr s ASN 23 Ca 0.13 -1.88 0.03 0.00 0.21 0.00 0.00 52.86 51.35 1ddr s ASN 23 Cb -0.01 -0.28 0.12 0.00 -0.55 0.00 0.00 41.25 40.53 1ddr s ASN 23 CO 0.02 -0.34 0.20 -0.76 -2.79 0.00 0.00 177.10 173.44 1ddr s LEU 24 N 1.38 3.62 0.26 3.21 1.43 -1.26 -0.59 118.68 126.73 1ddr s LEU 24 Ca 0.16 -2.61 -0.01 0.00 -1.03 0.00 0.00 54.13 50.63 1ddr s LEU 24 Cb -0.20 -1.35 0.34 0.00 0.03 0.00 0.00 46.19 45.01 1ddr s LEU 24 CO -0.09 -0.29 1.75 -0.65 0.23 0.00 0.00 176.35 177.30 1ddr h PRO 25 N 6.91 0.74 -0.35 1.29 0.11 -1.98 -3.21 132.00 135.51 1ddr h PRO 25 Ca -0.06 -0.21 -0.10 0.00 0.11 0.00 0.00 66.00 65.74 1ddr h PRO 25 Cb 0.94 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.95 1ddr h PRO 25 CO 0.57 0.79 -0.19 0.00 -0.21 0.00 0.00 178.00 178.96 1ddr h ALA 26 N 1.26 1.01 -0.03 -0.75 0.00 -1.93 -1.71 119.26 117.12 1ddr h ALA 26 Ca 0.13 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1ddr h ALA 26 Cb 0.50 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1ddr h ALA 26 CO 0.03 0.59 -0.39 0.22 0.00 0.00 0.00 179.25 179.70 1ddr h ASP 27 N 0.59 0.06 0.89 0.00 3.58 -1.97 0.26 116.42 119.83 1ddr h ASP 27 Ca 0.09 -0.02 -0.19 0.00 0.42 0.00 0.00 57.03 57.33 1ddr h ASP 27 Cb 0.65 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.65 1ddr h ASP 27 CO 0.05 0.45 -0.92 -0.07 -2.88 0.00 0.00 179.24 175.86 1ddr h LEU 28 N 0.05 0.02 0.04 2.28 3.38 -1.49 0.47 115.31 120.06 1ddr h LEU 28 Ca 0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ddr h LEU 28 Cb 0.71 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1ddr h LEU 28 CO 0.05 0.93 -0.02 0.00 0.09 0.00 0.00 178.44 179.49 1ddr h ALA 29 N 1.07 -0.06 -0.60 1.53 0.00 -1.03 -0.55 119.26 119.62 1ddr h ALA 29 Ca -0.01 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1ddr h ALA 29 Cb 1.62 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.39 1ddr h ALA 29 CO 0.12 -0.28 0.36 2.35 0.00 0.00 0.00 179.25 181.81 1ddr h TRP 30 N -0.57 0.68 0.55 0.00 2.91 -0.46 -0.96 115.95 118.09 1ddr h TRP 30 Ca -0.01 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.01 1ddr h TRP 30 Cb 0.52 -0.22 -0.00 0.00 -0.51 0.00 0.00 29.16 28.94 1ddr h TRP 30 CO 0.10 0.38 -0.32 0.35 -1.03 0.00 0.00 178.44 177.91 1ddr h PHE 31 N 0.71 -0.84 0.00 2.65 3.57 -0.03 -2.81 116.94 120.18 1ddr h PHE 31 Ca 0.25 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.76 1ddr h PHE 31 Cb 0.05 0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 1ddr h PHE 31 CO -0.06 -0.50 -0.19 -0.22 -2.23 0.00 0.00 178.31 175.12 1ddr h LYS 32 N -0.82 -0.29 -0.26 1.11 3.64 -0.73 -1.40 116.57 117.82 1ddr h LYS 32 Ca -0.07 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.41 1ddr h LYS 32 Cb 0.66 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1ddr h LYS 32 CO 0.08 -0.19 0.20 -0.09 -2.27 0.00 0.00 179.45 177.18 1ddr h ARG 33 N -0.30 0.00 0.00 1.90 2.43 -1.23 0.55 114.38 117.73 1ddr h ARG 33 Ca 0.06 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.94 1ddr h ARG 33 Cb 0.38 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.88 1ddr h ARG 33 CO -0.18 0.00 -1.73 0.09 -1.51 0.00 0.00 179.97 176.64 1ddr n ASN 34 N -4.31 0.80 0.01 -3.80 3.02 -1.06 -4.38 115.26 105.54 1ddr n ASN 34 Ca 0.03 0.38 0.11 0.00 -0.03 0.00 0.00 54.58 55.07 1ddr n ASN 34 Cb 0.35 0.06 -0.13 0.00 -0.61 0.00 0.00 39.78 39.45 1ddr n ASN 34 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1ddr n THR 35 N -3.00 0.13 -1.93 3.41 -2.24 -0.55 -4.94 114.28 105.16 1ddr n THR 35 Ca -0.17 -0.48 -0.38 0.00 -2.27 0.00 0.00 64.05 60.75 1ddr n THR 35 Cb 1.03 -0.02 0.03 0.00 -2.10 0.00 0.00 70.33 69.27 1ddr n THR 35 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1ddr s LEU 36 N -4.61 3.86 -1.49 3.22 2.96 0.19 -2.37 118.68 120.43 1ddr s LEU 36 Ca -0.06 2.60 0.00 0.00 -0.22 0.00 0.00 54.13 56.45 1ddr s LEU 36 Cb 0.13 -4.32 0.00 0.00 0.50 0.00 0.00 46.19 42.50 1ddr s LEU 36 CO 0.88 -1.43 0.00 0.59 -1.32 0.00 0.00 176.35 175.07 1ddr n ASN 37 N -1.00 -4.89 -4.20 3.68 3.02 0.11 -4.98 115.26 107.00 1ddr n ASN 37 Ca 0.10 0.35 -0.14 0.00 -0.03 0.00 0.00 54.58 54.86 1ddr n ASN 37 Cb 0.46 -3.63 -0.11 0.00 -0.61 0.00 0.00 39.78 35.90 1ddr n ASN 37 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ddr s LYS 38 N -3.15 0.91 -0.12 3.52 1.02 -1.00 -5.00 119.74 115.92 1ddr s LYS 38 Ca 0.00 -1.25 -0.29 0.00 0.02 0.00 0.00 55.97 54.45 1ddr s LYS 38 Cb 0.00 -0.55 -0.01 0.00 -0.52 0.00 0.00 37.83 36.75 1ddr s LYS 38 CO 0.00 0.08 1.00 -1.25 -0.92 0.00 0.00 175.35 174.26 1ddr s PRO 39 N -3.11 4.40 -0.21 -1.68 0.04 -1.26 -2.63 135.00 130.55 1ddr s PRO 39 Ca 0.09 1.37 -0.04 0.00 0.04 0.00 0.00 61.00 62.46 1ddr s PRO 39 Cb -0.01 -3.55 -0.01 0.00 0.04 0.00 0.00 34.50 30.97 1ddr s PRO 39 CO -0.00 -0.34 -0.04 0.14 0.04 0.00 0.00 177.00 176.79 1ddr s VAL 40 N 2.12 3.43 -0.09 -0.36 -7.23 0.11 -1.34 120.40 117.06 1ddr s VAL 40 Ca 0.47 -0.48 -0.13 0.00 -1.81 0.00 0.00 61.98 60.03 1ddr s VAL 40 Cb -0.18 -2.55 -0.05 0.00 0.56 0.00 0.00 36.38 34.16 1ddr s VAL 40 CO 0.16 0.43 0.31 -0.63 -0.31 0.00 0.00 175.10 175.07 1ddr s ILE 41 N 1.30 5.24 0.10 -0.62 1.01 -0.02 -0.54 121.20 127.67 1ddr s ILE 41 Ca 0.04 0.60 -0.10 0.00 0.00 0.00 0.00 60.65 61.19 1ddr s ILE 41 Cb -0.14 -3.62 0.01 0.00 0.01 0.00 0.00 42.46 38.71 1ddr s ILE 41 CO -0.02 0.51 0.24 0.00 0.00 0.00 0.00 174.94 175.67 1ddr s MET 42 N -0.45 0.90 0.58 2.79 0.23 0.12 -0.84 119.30 122.63 1ddr s MET 42 Ca 0.19 -0.90 0.04 0.00 -1.03 0.00 0.00 55.69 53.99 1ddr s MET 42 Cb -0.14 0.37 0.07 0.00 -1.53 0.00 0.00 34.83 33.60 1ddr s MET 42 CO 0.08 -0.31 0.81 0.20 -2.03 0.00 0.00 175.02 173.77 1ddr s GLY 43 N -2.85 1.81 0.26 3.16 0.00 0.35 -0.11 107.32 109.94 1ddr s GLY 43 Ca 0.05 -1.70 -0.05 0.00 0.00 0.00 0.00 44.72 43.02 1ddr s GLY 43 CO -0.11 -1.31 1.90 -0.09 0.00 0.00 0.00 173.10 173.49 1ddr h ARG 44 N 0.02 1.18 -0.80 2.90 2.43 -1.91 -2.84 114.38 115.35 1ddr h ARG 44 Ca -0.37 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 58.65 1ddr h ARG 44 Cb 1.28 -0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 30.56 1ddr h ARG 44 CO 0.45 0.84 0.38 0.45 -1.51 0.00 0.00 179.97 180.57 1ddr h HIS 45 N 1.19 1.16 -0.47 2.20 3.86 -1.95 -2.65 115.15 118.49 1ddr h HIS 45 Ca 0.31 -0.06 -0.07 0.00 -1.16 0.00 0.00 60.37 59.38 1ddr h HIS 45 Cb -0.02 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.08 1ddr h HIS 45 CO 0.01 0.85 0.01 1.15 0.86 0.00 0.00 177.93 180.80 1ddr h THR 46 N 1.14 1.26 -0.69 2.45 2.02 -1.84 -3.09 112.91 114.17 1ddr h THR 46 Ca 0.27 -1.04 0.06 0.00 0.77 0.00 0.00 66.41 66.48 1ddr h THR 46 Cb 0.13 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 1ddr h THR 46 CO -0.03 0.36 0.45 -0.25 0.37 0.00 0.00 175.52 176.42 1ddr h TRP 47 N 0.67 0.71 -0.15 3.16 2.91 -1.26 0.29 115.95 122.29 1ddr h TRP 47 Ca 0.13 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.13 1ddr h TRP 47 Cb 0.49 -0.23 -0.00 0.00 -0.51 0.00 0.00 29.16 28.90 1ddr h TRP 47 CO 0.04 0.38 -0.06 0.93 -1.03 0.00 0.00 178.44 178.70 1ddr h GLU 48 N 0.71 0.31 -0.58 2.65 4.39 -1.42 -0.04 114.58 120.59 1ddr h GLU 48 Ca 0.29 -0.13 0.01 0.00 0.34 0.00 0.00 59.36 59.88 1ddr h GLU 48 Cb 0.26 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 1ddr h GLU 48 CO -0.09 0.61 0.38 0.77 -1.16 0.00 0.00 179.01 179.52 1ddr h SER 49 N -0.01 0.66 0.27 1.42 0.02 -1.19 -0.85 113.55 113.87 1ddr h SER 49 Ca 0.04 -0.02 -0.22 0.00 -0.84 0.00 0.00 61.79 60.75 1ddr h SER 49 Cb 0.51 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1ddr h SER 49 CO 0.02 0.48 -0.89 0.40 -1.14 0.00 0.00 176.83 175.69 1ddr h ILE 50 N 0.78 1.38 -0.15 3.27 2.04 -0.92 -3.47 117.51 120.43 1ddr h ILE 50 Ca 0.21 -2.35 -0.06 0.00 1.00 0.00 0.00 64.86 63.66 1ddr h ILE 50 Cb -0.08 2.33 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 1ddr h ILE 50 CO -0.05 0.71 -0.06 0.61 0.00 0.00 0.00 178.15 179.36 1ddr n GLY 51 N 0.86 0.47 3.59 5.37 0.00 -0.04 -4.90 105.19 110.55 1ddr n GLY 51 Ca -0.06 -0.09 0.01 0.00 0.00 0.00 0.00 46.02 45.88 1ddr n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ddr s ARG 52 N -1.72 0.05 0.36 1.61 1.70 -1.26 -5.05 118.95 114.64 1ddr s ARG 52 Ca 0.00 -0.02 -0.26 0.00 -0.47 0.00 0.00 55.73 54.98 1ddr s ARG 52 Cb 0.00 0.02 -0.09 0.00 -0.57 0.00 0.00 34.95 34.31 1ddr s ARG 52 CO 0.00 -0.02 1.04 -1.25 -1.08 0.00 0.00 175.30 173.99 1ddr s PRO 53 N -2.05 4.34 0.11 3.89 0.04 -1.26 -5.02 135.00 135.05 1ddr s PRO 53 Ca 0.14 1.54 -0.31 0.00 0.04 0.00 0.00 61.00 62.41 1ddr s PRO 53 Cb 0.04 -2.73 -0.07 0.00 0.04 0.00 0.00 34.50 31.79 1ddr s PRO 53 CO -0.05 0.01 1.27 -0.51 0.04 0.00 0.00 177.00 177.76 1ddr s LEU 54 N -2.28 4.38 -0.00 -3.56 1.43 -1.26 -4.99 118.68 112.41 1ddr s LEU 54 Ca 0.54 2.18 -0.30 0.00 -1.03 0.00 0.00 54.13 55.52 1ddr s LEU 54 Cb -0.24 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.34 1ddr s LEU 54 CO 0.30 -0.52 1.47 -2.84 0.23 0.00 0.00 176.35 174.99 1ddr s PRO 55 N 0.81 4.25 -0.48 1.29 0.02 -1.26 -3.29 135.00 136.34 1ddr s PRO 55 Ca 0.60 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.66 1ddr s PRO 55 Cb -0.33 -3.64 0.00 0.00 0.02 0.00 0.00 34.50 30.55 1ddr s PRO 55 CO 0.31 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 1ddr n GLY 56 N 3.77 0.47 2.93 0.52 0.00 -1.26 -4.79 105.19 106.83 1ddr n GLY 56 Ca 0.14 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 1ddr n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ddr s ARG 57 N -3.33 0.09 -0.55 1.61 0.52 -1.21 0.06 118.95 116.16 1ddr s ARG 57 Ca 0.00 0.29 -0.28 0.00 -0.52 0.00 0.00 55.73 55.21 1ddr s ARG 57 Cb 0.00 -0.11 0.02 0.00 0.52 0.00 0.00 34.95 35.39 1ddr s ARG 57 CO 0.00 -0.12 1.27 0.21 0.02 0.00 0.00 175.30 176.68 1ddr s LYS 58 N 0.80 3.49 -0.21 3.54 2.20 -1.08 -4.69 119.74 123.79 1ddr s LYS 58 Ca -0.06 0.41 -0.26 0.00 -0.36 0.00 0.00 55.97 55.71 1ddr s LYS 58 Cb -0.08 -4.03 -0.01 0.00 -1.51 0.00 0.00 37.83 32.20 1ddr s LYS 58 CO -0.04 -1.70 0.87 -0.80 -0.36 0.00 0.00 175.35 173.32 1ddr s ASN 59 N 3.38 6.92 -0.21 1.43 0.01 -1.26 0.10 114.94 125.31 1ddr s ASN 59 Ca 0.48 1.15 0.02 0.00 -0.71 0.00 0.00 52.86 53.79 1ddr s ASN 59 Cb -0.09 -2.46 0.04 0.00 0.41 0.00 0.00 41.25 39.15 1ddr s ASN 59 CO 0.27 -0.50 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.57 1ddr s ILE 60 N 2.65 2.11 -0.21 0.60 1.01 0.30 -2.08 121.20 125.57 1ddr s ILE 60 Ca 0.38 -1.23 -0.12 0.00 0.00 0.00 0.00 60.65 59.68 1ddr s ILE 60 Cb -0.16 -2.03 -0.05 0.00 0.01 0.00 0.00 42.46 40.23 1ddr s ILE 60 CO 0.09 0.31 0.21 -0.63 0.00 0.00 0.00 174.94 174.91 1ddr s ILE 61 N 1.21 5.34 -0.31 2.92 1.09 0.03 0.13 121.20 131.61 1ddr s ILE 61 Ca -0.01 0.32 -0.13 0.00 -1.10 0.00 0.00 60.65 59.73 1ddr s ILE 61 Cb -0.16 -3.54 -0.03 0.00 -1.06 0.00 0.00 42.46 37.67 1ddr s ILE 61 CO -0.10 0.37 0.25 -0.22 -0.10 0.00 0.00 174.94 175.14 1ddr s LEU 62 N 0.80 4.29 0.14 2.97 0.20 0.84 -1.35 118.68 126.57 1ddr s LEU 62 Ca 0.11 -0.19 -0.21 0.00 0.69 0.00 0.00 54.13 54.53 1ddr s LEU 62 Cb -0.13 -2.18 0.06 0.00 -0.43 0.00 0.00 46.19 43.51 1ddr s LEU 62 CO 0.03 -0.18 0.54 -0.55 -0.29 0.00 0.00 176.35 175.90 1ddr s SER 63 N 1.73 -0.47 -0.10 3.68 0.15 -0.74 -4.15 113.70 113.81 1ddr s SER 63 Ca 0.08 -0.07 0.20 0.00 0.70 0.00 0.00 55.95 56.86 1ddr s SER 63 Cb -0.17 0.56 -0.29 0.00 -1.71 0.00 0.00 66.02 64.41 1ddr s SER 63 CO 0.11 -0.92 0.32 -1.20 1.20 0.00 0.00 173.24 172.75 1ddr n SER 64 N -0.30 0.03 -4.71 5.45 7.64 -1.26 -3.90 113.62 116.58 1ddr n SER 64 Ca -0.17 0.01 -0.39 0.00 1.01 0.00 0.00 58.87 59.34 1ddr n SER 64 Cb 0.64 1.51 -0.06 0.00 -1.01 0.00 0.00 64.21 65.30 1ddr n SER 64 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1ddr s GLN 65 N -3.07 4.35 -0.07 1.43 -1.52 -1.26 -4.95 119.66 114.57 1ddr s GLN 65 Ca -0.09 0.61 -0.07 0.00 -1.95 0.00 0.00 55.36 53.86 1ddr s GLN 65 Cb 0.10 -3.46 -0.03 0.00 -0.22 0.00 0.00 33.01 29.40 1ddr s GLN 65 CO 0.87 0.07 0.26 -2.30 -0.25 0.00 0.00 175.29 173.94 1ddr n PRO 66 N 3.91 0.00 -1.82 2.91 -0.01 -1.26 -4.80 135.00 133.93 1ddr n PRO 66 Ca -0.04 0.00 -0.38 0.00 -0.01 0.00 0.00 63.50 63.06 1ddr n PRO 66 Cb 0.51 -0.22 -0.03 0.00 -0.01 0.00 0.00 33.50 33.75 1ddr n PRO 66 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 175.50 175.69 1ddr s GLY 67 N 0.56 0.03 0.00 -1.23 0.00 -1.26 -4.86 107.32 100.56 1ddr s GLY 67 Ca 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.67 1ddr s GLY 67 CO 0.12 3.71 1.59 2.41 0.00 0.00 0.00 173.10 180.93 1ddr n THR 68 N 7.57 1.59 -3.51 0.90 -1.04 -1.26 -4.83 114.28 113.71 1ddr n THR 68 Ca 0.28 -0.31 -0.17 0.00 -2.04 0.00 0.00 64.05 61.80 1ddr n THR 68 Cb 0.52 -1.31 -0.05 0.00 -1.82 0.00 0.00 70.33 67.67 1ddr n THR 68 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1ddr s ASP 69 N 1.65 -0.64 -0.56 8.00 -1.08 -1.26 -5.09 116.67 117.68 1ddr s ASP 69 Ca 0.00 0.61 0.07 0.00 -0.52 0.00 0.00 52.55 52.71 1ddr s ASP 69 Cb 0.00 0.55 0.29 0.00 -1.46 0.00 0.00 42.92 42.30 1ddr s ASP 69 CO 0.00 -0.66 0.79 -0.90 0.52 0.00 0.00 175.17 174.92 1ddr n ASP 70 N 0.72 3.25 0.00 -0.34 5.68 -1.26 -4.59 116.55 120.01 1ddr n ASP 70 Ca -0.19 -3.39 0.00 0.00 -0.50 0.00 0.00 54.79 50.72 1ddr n ASP 70 Cb 0.58 -0.62 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 1ddr n ASP 70 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1ddr n ARG 71 N 0.49 0.12 -4.26 0.11 1.74 -1.26 -5.12 116.66 108.47 1ddr n ARG 71 Ca 0.29 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 57.13 1ddr n ARG 71 Cb 0.44 -0.13 -0.07 0.00 -1.02 0.00 0.00 32.46 31.69 1ddr n ARG 71 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1ddr s VAL 72 N -0.92 3.57 -0.07 1.55 -7.23 -1.26 -4.96 120.40 111.06 1ddr s VAL 72 Ca 0.00 -1.76 -0.22 0.00 -1.81 0.00 0.00 61.98 58.19 1ddr s VAL 72 Cb 0.00 -2.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 1ddr s VAL 72 CO 0.00 -0.31 0.63 -0.89 -0.31 0.00 0.00 175.10 174.22 1ddr s THR 73 N -2.16 5.07 -0.18 5.32 2.01 -0.88 -4.97 115.64 119.85 1ddr s THR 73 Ca 0.30 1.29 -0.02 0.00 0.31 0.00 0.00 61.69 63.57 1ddr s THR 73 Cb -0.07 -3.97 -0.01 0.00 0.01 0.00 0.00 72.50 68.46 1ddr s THR 73 CO 0.20 0.29 -0.08 0.26 -0.69 0.00 0.00 174.62 174.59 1ddr s TRP 74 N 0.65 2.90 0.29 4.92 0.52 -1.26 -0.78 118.94 126.18 1ddr s TRP 74 Ca 0.34 -0.86 0.10 0.00 0.02 0.00 0.00 56.10 55.71 1ddr s TRP 74 Cb -0.17 -2.00 -0.05 0.00 -1.15 0.00 0.00 33.47 30.10 1ddr s TRP 74 CO 0.16 -0.43 -0.09 0.14 0.02 0.00 0.00 176.95 176.75 1ddr s VAL 75 N 1.02 2.76 -0.54 4.03 -7.23 -0.46 -4.98 120.40 115.01 1ddr s VAL 75 Ca -0.00 -2.16 0.14 0.00 -1.81 0.00 0.00 61.98 58.15 1ddr s VAL 75 Cb -0.15 -2.59 -0.17 0.00 0.56 0.00 0.00 36.38 34.04 1ddr s VAL 75 CO -0.01 -0.34 0.54 2.29 -0.31 0.00 0.00 175.10 177.28 1ddr n LYS 76 N -0.78 1.98 -3.99 4.82 0.00 -1.25 -1.79 118.16 117.15 1ddr n LYS 76 Ca -0.05 -0.03 -0.10 0.00 -0.00 0.00 0.00 58.31 58.13 1ddr n LYS 76 Cb 0.60 -1.20 -0.07 0.00 -0.00 0.00 0.00 35.03 34.37 1ddr n LYS 76 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1ddr s SER 77 N -2.59 -0.01 0.04 -5.58 1.04 -1.26 -4.68 113.70 100.65 1ddr s SER 77 Ca 0.03 -0.93 -0.22 0.00 0.48 0.00 0.00 55.95 55.31 1ddr s SER 77 Cb 0.10 0.49 -0.15 0.00 0.10 0.00 0.00 66.02 66.56 1ddr s SER 77 CO 0.58 -0.98 1.40 0.58 0.98 0.00 0.00 173.24 175.80 1ddr h VAL 78 N 2.44 1.31 0.00 5.02 2.07 -1.98 0.76 116.25 125.87 1ddr h VAL 78 Ca -0.30 -1.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.12 1ddr h VAL 78 Cb 1.24 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 1ddr h VAL 78 CO 0.44 0.30 -0.23 0.44 0.02 0.00 0.00 177.57 178.54 1ddr h ASP 79 N -0.10 0.00 1.27 0.57 3.32 -2.00 -2.50 116.42 116.99 1ddr h ASP 79 Ca 0.03 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.93 1ddr h ASP 79 Cb 0.50 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1ddr h ASP 79 CO 0.02 0.23 -0.74 -0.08 -1.72 0.00 0.00 179.24 176.95 1ddr h GLU 80 N 0.00 0.00 -0.25 3.56 4.81 -1.84 -3.27 114.58 117.59 1ddr h GLU 80 Ca -0.00 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1ddr h GLU 80 Cb 0.52 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 1ddr h GLU 80 CO 0.03 0.66 -0.26 0.00 -0.73 0.00 0.00 179.01 178.70 1ddr h ALA 81 N 1.32 0.38 -0.50 2.92 0.00 0.95 -3.21 119.26 121.12 1ddr h ALA 81 Ca -0.02 -0.39 0.08 0.00 0.00 0.00 0.00 54.91 54.58 1ddr h ALA 81 Cb 1.53 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.18 1ddr h ALA 81 CO 0.09 0.37 0.11 0.82 0.00 0.00 0.00 179.25 180.64 1ddr h ILE 82 N 0.35 0.74 -0.49 0.00 1.08 -1.56 -2.92 117.51 114.71 1ddr h ILE 82 Ca 0.04 -0.09 -0.08 0.00 -0.39 0.00 0.00 64.86 64.35 1ddr h ILE 82 Cb 0.83 0.46 -0.02 0.00 -3.07 0.00 0.00 36.82 35.02 1ddr h ILE 82 CO 0.07 0.05 0.01 0.00 -0.69 0.00 0.00 178.15 177.58 1ddr h ALA 83 N 1.38 0.66 -1.75 1.87 0.00 -1.63 -3.15 119.26 116.64 1ddr h ALA 83 Ca 0.25 -0.28 0.51 0.00 0.00 0.00 0.00 54.91 55.39 1ddr h ALA 83 Cb 0.33 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 1ddr h ALA 83 CO -0.31 0.45 1.26 0.00 0.00 0.00 0.00 179.25 180.65 1ddr h ALA 84 N 0.93 3.66 0.00 0.00 0.00 -1.51 0.87 119.26 123.21 1ddr h ALA 84 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ddr h ALA 84 Cb 0.50 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1ddr h ALA 84 CO 0.02 -2.16 -1.04 0.00 0.00 0.00 0.00 179.25 176.08 1ddr n GLY 86 N 1.30 0.52 3.12 0.00 0.00 0.30 -4.31 105.19 106.13 1ddr n GLY 86 Ca 0.01 -0.87 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 1ddr n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ddr s ASP 87 N -4.00 5.44 0.30 1.61 -1.08 -1.26 -4.83 116.67 112.85 1ddr s ASP 87 Ca 0.00 -2.88 0.09 0.00 -0.52 0.00 0.00 52.55 49.24 1ddr s ASP 87 Cb 0.00 -1.90 -0.04 0.00 -1.46 0.00 0.00 42.92 39.52 1ddr s ASP 87 CO 0.00 -0.38 0.03 0.68 0.52 0.00 0.00 175.17 176.02 1ddr s VAL 88 N -0.11 3.17 0.00 1.11 -7.23 -1.26 -5.07 120.40 111.01 1ddr s VAL 88 Ca 0.18 -1.88 -0.24 0.00 -1.81 0.00 0.00 61.98 58.22 1ddr s VAL 88 Cb -0.19 -2.86 -0.15 0.00 0.56 0.00 0.00 36.38 33.75 1ddr s VAL 88 CO -0.04 -0.29 1.09 -0.65 -0.31 0.00 0.00 175.10 174.89 1ddr h PRO 89 N 1.79 -0.62 -6.75 4.82 0.11 -1.96 -3.37 132.00 126.02 1ddr h PRO 89 Ca -0.44 0.04 -0.70 0.00 0.11 0.00 0.00 66.00 65.02 1ddr h PRO 89 Cb 1.25 0.14 -0.26 0.00 0.11 0.00 0.00 31.00 32.24 1ddr h PRO 89 CO 0.62 -0.32 -0.88 -2.00 -0.21 0.00 0.00 178.00 175.21 1ddr s GLU 90 N -4.45 1.79 -0.11 1.05 2.12 -1.26 0.77 118.70 118.61 1ddr s GLU 90 Ca -0.13 -1.12 0.02 0.00 0.36 0.00 0.00 54.97 54.10 1ddr s GLU 90 Cb 0.02 -1.98 0.01 0.00 0.26 0.00 0.00 34.13 32.44 1ddr s GLU 90 CO 0.45 0.51 -0.18 0.42 -0.54 0.00 0.00 175.26 175.92 1ddr s ILE 91 N -0.81 1.68 -0.18 -3.70 1.01 -0.65 -4.37 121.20 114.18 1ddr s ILE 91 Ca 0.12 -0.76 -0.11 0.00 0.00 0.00 0.00 60.65 59.90 1ddr s ILE 91 Cb -0.10 -1.51 -0.05 0.00 0.01 0.00 0.00 42.46 40.81 1ddr s ILE 91 CO 0.02 0.48 0.18 -0.04 0.00 0.00 0.00 174.94 175.58 1ddr s MET 92 N 0.84 4.15 -0.40 2.79 -1.94 -0.45 -1.66 119.30 122.64 1ddr s MET 92 Ca -0.09 -0.11 -0.06 0.00 -1.71 0.00 0.00 55.69 53.72 1ddr s MET 92 Cb -0.15 -3.40 0.09 0.00 2.01 0.00 0.00 34.83 33.37 1ddr s MET 92 CO 0.00 0.32 0.21 0.08 -0.01 0.00 0.00 175.02 175.62 1ddr s VAL 93 N 0.27 3.70 -1.75 -6.03 1.01 -0.24 -0.84 120.40 116.53 1ddr s VAL 93 Ca 0.11 -1.65 0.28 0.00 0.00 0.00 0.00 61.98 60.72 1ddr s VAL 93 Cb -0.12 -3.35 0.43 0.00 0.00 0.00 0.00 36.38 33.34 1ddr s VAL 93 CO 0.00 -0.53 1.79 2.30 0.00 0.00 0.00 175.10 178.66 1ddr n ILE 94 N 4.76 0.00 0.00 2.22 -5.35 -0.02 -2.05 119.36 118.92 1ddr n ILE 94 Ca -0.08 -0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1ddr n ILE 94 Cb 0.42 0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.39 1ddr n ILE 94 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ddr n GLY 95 N 1.28 -1.39 0.00 3.28 0.00 -1.18 -4.86 105.19 102.32 1ddr n GLY 95 Ca 0.14 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1ddr n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ddr n GLY 96 N 0.00 3.58 0.00 -0.02 0.00 -1.26 -0.50 105.19 106.99 1ddr n GLY 96 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1ddr n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ddr n GLY 97 N 5.00 0.00 0.09 -0.02 0.00 -1.26 0.99 105.19 109.99 1ddr n GLY 97 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1ddr n GLY 97 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ddr h ARG 98 N 0.00 0.09 -0.60 1.61 2.47 -1.98 -2.50 114.38 113.47 1ddr h ARG 98 Ca 0.00 -0.01 0.17 0.00 -1.26 0.00 0.00 59.98 58.89 1ddr h ARG 98 Cb 0.00 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.28 1ddr h ARG 98 CO 0.00 0.06 0.45 0.28 0.56 0.00 0.00 179.97 181.32 1ddr h VAL 99 N 0.09 0.64 -0.01 2.04 2.07 0.28 -2.09 116.25 119.27 1ddr h VAL 99 Ca 0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 1ddr h VAL 99 Cb 0.07 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1ddr h VAL 99 CO -0.10 0.00 -0.02 1.88 0.02 0.00 0.00 177.57 179.34 1ddr h TYR 100 N 0.00 0.05 0.00 1.57 0.05 -0.97 -3.10 116.97 114.57 1ddr h TYR 100 Ca 0.29 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 59.03 1ddr h TYR 100 Cb 1.19 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.91 1ddr h TYR 100 CO 0.00 0.60 -0.09 1.05 -1.05 0.00 0.00 178.16 178.67 1ddr h GLU 101 N -0.52 0.00 0.00 4.88 4.11 -1.32 -0.45 114.58 121.28 1ddr h GLU 101 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.33 1ddr h GLU 101 Cb 0.60 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1ddr h GLU 101 CO 0.01 0.09 -0.47 1.96 0.07 0.00 0.00 179.01 180.66 1ddr h GLN 102 N 0.00 0.00 0.00 1.06 4.20 -1.49 -3.37 115.11 115.51 1ddr h GLN 102 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ddr h GLN 102 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1ddr h GLN 102 CO 0.01 0.47 -1.22 1.19 -0.67 0.00 0.00 178.83 178.62 1ddr n PHE 103 N -3.38 0.00 -0.35 2.96 3.72 -0.97 -4.69 117.46 114.76 1ddr n PHE 103 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1ddr n PHE 103 Cb 0.64 -0.18 0.14 0.00 -0.94 0.00 0.00 39.48 39.13 1ddr n PHE 103 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1ddr h LEU 104 N 0.00 1.02 -1.65 4.37 5.85 -1.25 -2.63 115.31 121.01 1ddr h LEU 104 Ca 0.00 -0.00 0.19 0.00 0.84 0.00 0.00 57.88 58.91 1ddr h LEU 104 Cb 0.47 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 1ddr h LEU 104 CO 0.00 0.69 0.56 -0.65 -0.34 0.00 0.00 178.44 178.70 1ddr h PRO 105 N 1.18 0.30 0.00 5.25 0.11 -1.83 -0.17 132.00 136.83 1ddr h PRO 105 Ca 0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.48 1ddr h PRO 105 Cb 0.04 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.08 1ddr h PRO 105 CO -0.13 0.20 -0.84 1.63 -0.21 0.00 0.00 178.00 178.65 1ddr n LYS 106 N -4.45 0.18 -1.13 1.05 4.01 -1.07 -4.98 118.16 111.77 1ddr n LYS 106 Ca 0.17 0.01 -0.32 0.00 -0.51 0.00 0.00 58.31 57.66 1ddr n LYS 106 Cb 0.69 -1.57 0.12 0.00 -0.51 0.00 0.00 35.03 33.76 1ddr n LYS 106 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ddr s ALA 107 N -3.12 1.93 0.00 7.82 0.00 -0.08 -4.39 121.76 123.92 1ddr s ALA 107 Ca 0.06 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1ddr s ALA 107 Cb 0.15 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1ddr s ALA 107 CO 0.77 -2.15 0.00 1.04 0.00 0.00 0.00 175.76 175.42 1ddr n GLN 108 N -3.50 0.00 -3.84 0.00 6.02 -0.00 -4.90 117.38 111.16 1ddr n GLN 108 Ca 0.11 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.99 1ddr n GLN 108 Cb 0.52 -0.05 -0.11 0.00 1.02 0.00 0.00 30.24 31.61 1ddr n GLN 108 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1ddr s LYS 109 N 0.00 0.30 -0.04 -1.09 1.02 -1.24 -1.32 119.74 117.37 1ddr s LYS 109 Ca 0.00 -0.02 0.04 0.00 0.02 0.00 0.00 55.97 56.01 1ddr s LYS 109 Cb 0.00 0.13 -0.00 0.00 -0.52 0.00 0.00 37.83 37.44 1ddr s LYS 109 CO 0.00 -0.06 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.69 1ddr s LEU 110 N -0.49 1.92 -0.56 3.17 1.43 -0.90 -1.32 118.68 121.93 1ddr s LEU 110 Ca -0.06 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 52.74 1ddr s LEU 110 Cb -0.04 -0.94 0.14 0.00 0.03 0.00 0.00 46.19 45.38 1ddr s LEU 110 CO 0.01 0.15 0.31 -0.31 0.23 0.00 0.00 176.35 176.74 1ddr s TYR 111 N 0.01 3.20 0.25 0.29 2.02 0.23 -2.24 117.35 121.11 1ddr s TYR 111 Ca -0.03 -3.17 0.05 0.00 -0.37 0.00 0.00 57.07 53.54 1ddr s TYR 111 Cb -0.11 -2.74 -0.03 0.00 -0.40 0.00 0.00 41.96 38.68 1ddr s TYR 111 CO 0.02 -0.70 0.38 -0.51 -1.57 0.00 0.00 175.55 173.17 1ddr s LEU 112 N -0.53 4.29 -0.20 -1.29 1.43 0.51 -0.95 118.68 121.93 1ddr s LEU 112 Ca 0.19 0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 53.34 1ddr s LEU 112 Cb -0.21 -2.89 0.10 0.00 0.03 0.00 0.00 46.19 43.22 1ddr s LEU 112 CO -0.04 -0.10 0.25 -0.89 0.23 0.00 0.00 176.35 175.80 1ddr s THR 113 N -2.01 -0.38 -0.25 5.49 2.01 -1.06 -0.85 115.64 118.59 1ddr s THR 113 Ca 0.35 -0.07 -0.14 0.00 0.31 0.00 0.00 61.69 62.13 1ddr s THR 113 Cb -0.09 -0.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 1ddr s THR 113 CO 0.30 -0.16 0.35 -1.00 -0.69 0.00 0.00 174.62 173.41 1ddr s HIS 114 N 2.37 3.28 -0.02 4.92 0.09 0.71 -0.19 115.29 126.45 1ddr s HIS 114 Ca 0.07 0.42 0.02 0.00 -0.00 0.00 0.00 55.06 55.57 1ddr s HIS 114 Cb -0.15 -2.52 -0.03 0.00 -0.00 0.00 0.00 32.58 29.88 1ddr s HIS 114 CO -0.12 -0.14 -0.04 0.42 -0.00 0.00 0.00 174.74 174.85 1ddr s ILE 115 N 1.77 3.86 -0.12 0.60 1.01 0.10 -1.16 121.20 127.26 1ddr s ILE 115 Ca 0.15 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.17 1ddr s ILE 115 Cb -0.15 -2.67 0.14 0.00 0.01 0.00 0.00 42.46 39.79 1ddr s ILE 115 CO 0.09 0.44 1.49 0.47 0.00 0.00 0.00 174.94 177.43 1ddr n ASP 116 N 1.66 4.12 -4.47 3.58 9.92 -1.05 -3.30 116.55 127.01 1ddr n ASP 116 Ca -0.16 -2.50 -0.43 0.00 -0.53 0.00 0.00 54.79 51.17 1ddr n ASP 116 Cb 0.53 -0.76 -0.09 0.00 -0.64 0.00 0.00 41.12 40.15 1ddr n ASP 116 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ddr s ALA 117 N -0.83 3.46 -1.25 2.24 0.00 -1.26 -4.88 121.76 119.24 1ddr s ALA 117 Ca 0.14 -1.64 -0.19 0.00 0.00 0.00 0.00 51.96 50.27 1ddr s ALA 117 Cb 0.12 -2.95 0.01 0.00 0.00 0.00 0.00 23.12 20.29 1ddr s ALA 117 CO 0.02 -1.51 1.84 0.39 0.00 0.00 0.00 175.76 176.49 1ddr n GLU 118 N 5.33 2.59 -3.84 0.00 -0.58 -1.26 -3.46 120.64 119.43 1ddr n GLU 118 Ca -0.10 -2.92 -0.34 0.00 -0.42 0.00 0.00 57.16 53.39 1ddr n GLU 118 Cb 0.47 -3.54 -0.05 0.00 -0.57 0.00 0.00 31.44 27.75 1ddr n GLU 118 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1ddr s VAL 119 N 6.45 5.37 -0.15 2.62 1.01 -1.26 -5.06 120.40 129.38 1ddr s VAL 119 Ca 0.58 -0.01 -0.06 0.00 0.00 0.00 0.00 61.98 62.49 1ddr s VAL 119 Cb 0.03 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1ddr s VAL 119 CO 0.09 0.33 0.06 -0.70 0.00 0.00 0.00 175.10 174.88 1ddr s GLU 120 N -1.88 3.68 0.23 2.72 2.12 -1.26 -4.88 118.70 119.44 1ddr s GLU 120 Ca 0.28 -0.33 -0.21 0.00 0.36 0.00 0.00 54.97 55.07 1ddr s GLU 120 Cb -0.13 -3.11 0.06 0.00 0.26 0.00 0.00 34.13 31.21 1ddr s GLU 120 CO 0.18 0.44 0.91 0.20 -0.54 0.00 0.00 175.26 176.45 1ddr s GLY 121 N -0.11 0.03 -0.08 -1.50 0.00 -1.26 -5.06 107.32 99.34 1ddr s GLY 121 Ca 0.07 -0.28 0.15 0.00 0.00 0.00 0.00 44.72 44.65 1ddr s GLY 121 CO 0.01 0.66 0.20 1.22 0.00 0.00 0.00 173.10 175.20 1ddr n ASP 122 N -0.92 1.37 -4.78 1.64 8.00 -1.26 -4.97 116.55 115.62 1ddr n ASP 122 Ca -0.05 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.06 1ddr n ASP 122 Cb 0.60 1.30 -0.06 0.00 -0.02 0.00 0.00 41.12 42.94 1ddr n ASP 122 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ddr s THR 123 N -2.73 4.70 0.07 -3.53 2.01 -1.26 -5.05 115.64 109.84 1ddr s THR 123 Ca -0.07 1.41 0.08 0.00 0.31 0.00 0.00 61.69 63.42 1ddr s THR 123 Cb 0.07 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 1ddr s THR 123 CO 0.63 0.48 -0.22 -1.00 -0.69 0.00 0.00 174.62 173.82 1ddr s HIS 124 N -0.68 1.89 0.10 4.92 3.76 -1.26 -2.30 115.29 121.73 1ddr s HIS 124 Ca 0.33 -0.39 -0.30 0.00 -0.15 0.00 0.00 55.06 54.55 1ddr s HIS 124 Cb -0.20 -1.10 -0.06 0.00 1.11 0.00 0.00 32.58 32.33 1ddr s HIS 124 CO 0.21 0.15 1.10 0.12 -0.85 0.00 0.00 174.74 175.46 1ddr s PHE 125 N -0.92 3.58 -0.02 1.40 2.19 -0.30 -4.85 117.98 119.06 1ddr s PHE 125 Ca 0.08 1.54 -0.40 0.00 0.33 0.00 0.00 56.93 58.48 1ddr s PHE 125 Cb -0.09 -3.27 -0.20 0.00 -1.31 0.00 0.00 43.02 38.15 1ddr s PHE 125 CO 0.03 -0.64 1.14 -2.30 1.83 0.00 0.00 175.22 175.28 1ddr n PRO 126 N 3.17 0.15 -1.82 10.12 -0.02 -1.26 -4.83 135.00 140.51 1ddr n PRO 126 Ca 0.05 0.06 -0.43 0.00 -2.02 0.00 0.00 63.50 61.16 1ddr n PRO 126 Cb 0.47 -1.57 -0.03 0.00 -0.02 0.00 0.00 33.50 32.35 1ddr n PRO 126 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1ddr s ASP 127 N 0.23 5.86 -0.17 2.55 2.15 -1.26 -4.97 116.67 121.07 1ddr s ASP 127 Ca 0.91 1.75 -0.11 0.00 0.43 0.00 0.00 52.55 55.53 1ddr s ASP 127 Cb -1.24 -2.52 -0.05 0.00 -0.30 0.00 0.00 42.92 38.81 1ddr s ASP 127 CO 0.57 -1.66 0.20 -0.72 -0.17 0.00 0.00 175.17 173.39 1ddr s TYR 128 N 6.90 3.47 -0.08 -5.34 1.13 -1.26 -5.06 117.35 117.11 1ddr s TYR 128 Ca 0.88 0.48 -0.30 0.00 -1.41 0.00 0.00 57.07 56.72 1ddr s TYR 128 Cb -0.29 -2.19 -0.03 0.00 -1.10 0.00 0.00 41.96 38.34 1ddr s TYR 128 CO 0.34 0.35 1.18 -1.83 -2.51 0.00 0.00 175.55 173.09 1ddr s GLU 129 N 0.13 4.34 0.00 -3.49 1.03 -1.26 -4.91 118.70 114.54 1ddr s GLU 129 Ca 0.13 1.63 0.07 0.00 0.03 0.00 0.00 54.97 56.83 1ddr s GLU 129 Cb -0.12 -3.59 0.42 0.00 -0.80 0.00 0.00 34.13 30.04 1ddr s GLU 129 CO 0.02 -0.48 1.25 -2.30 -1.33 0.00 0.00 175.26 172.41 1ddr n PRO 130 N 5.43 0.97 -1.77 -4.83 -0.02 -1.26 -2.41 135.00 131.11 1ddr n PRO 130 Ca 0.11 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.38 1ddr n PRO 130 Cb 0.46 -1.11 0.05 0.00 -0.02 0.00 0.00 33.50 32.88 1ddr n PRO 130 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ddr n ASP 131 N -0.61 4.78 0.00 2.55 10.43 -1.26 -4.21 116.55 128.23 1ddr n ASP 131 Ca 0.05 -3.77 0.00 0.00 2.57 0.00 0.00 54.79 53.64 1ddr n ASP 131 Cb 0.02 -0.43 0.00 0.00 1.84 0.00 0.00 41.12 42.55 1ddr n ASP 131 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1ddr n ASP 132 N -0.79 0.00 -3.65 -2.24 2.03 -1.01 -5.02 116.55 105.88 1ddr n ASP 132 Ca 0.43 -0.23 -0.14 0.00 0.52 0.00 0.00 54.79 55.36 1ddr n ASP 132 Cb 0.92 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 41.18 1ddr n ASP 132 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1ddr s TRP 133 N 0.00 -0.38 -0.10 -0.67 0.52 -1.02 -1.63 118.94 115.66 1ddr s TRP 133 Ca 0.00 0.86 -0.15 0.00 0.02 0.00 0.00 56.10 56.83 1ddr s TRP 133 Cb 0.00 -0.09 -0.05 0.00 -1.15 0.00 0.00 33.47 32.18 1ddr s TRP 133 CO 0.00 -0.37 0.39 -1.83 0.02 0.00 0.00 176.95 175.16 1ddr s GLU 134 N 2.40 4.17 -0.04 4.98 -1.05 0.34 -4.62 118.70 124.87 1ddr s GLU 134 Ca 0.02 0.31 -0.30 0.00 -0.15 0.00 0.00 54.97 54.86 1ddr s GLU 134 Cb -0.12 -3.36 -0.02 0.00 -0.44 0.00 0.00 34.13 30.18 1ddr s GLU 134 CO -0.08 0.36 1.00 0.45 0.95 0.00 0.00 175.26 177.93 1ddr s SER 135 N 0.03 7.31 0.00 0.83 0.15 -1.26 0.16 113.70 120.92 1ddr s SER 135 Ca 0.22 1.62 0.00 0.00 0.70 0.00 0.00 55.95 58.49 1ddr s SER 135 Cb -0.15 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1ddr s SER 135 CO 0.09 -0.34 0.00 0.52 1.20 0.00 0.00 173.24 174.71 1ddr n VAL 136 N 4.15 0.00 -3.17 4.45 0.31 0.71 -4.92 118.33 119.86 1ddr n VAL 136 Ca 0.07 0.07 -0.34 0.00 -0.01 0.00 0.00 64.34 64.13 1ddr n VAL 136 Cb 0.50 -0.90 -0.06 0.00 -0.91 0.00 0.00 33.84 32.47 1ddr n VAL 136 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1ddr s PHE 137 N -0.27 3.50 -0.30 3.52 5.36 -1.16 -4.92 117.98 123.72 1ddr s PHE 137 Ca 0.00 1.23 -0.06 0.00 -0.96 0.00 0.00 56.93 57.14 1ddr s PHE 137 Cb 0.00 -2.52 0.18 0.00 -0.34 0.00 0.00 43.02 40.34 1ddr s PHE 137 CO 0.00 0.23 0.77 0.45 -1.46 0.00 0.00 175.22 175.21 1ddr s SER 138 N -2.00 -1.02 -0.12 6.13 0.15 -1.25 -1.12 113.70 114.47 1ddr s SER 138 Ca 0.48 0.73 -0.03 0.00 0.70 0.00 0.00 55.95 57.83 1ddr s SER 138 Cb -0.13 1.89 0.04 0.00 -1.71 0.00 0.00 66.02 66.12 1ddr s SER 138 CO 0.19 -0.19 0.05 -0.70 1.20 0.00 0.00 173.24 173.79 1ddr s GLU 139 N 2.87 0.29 0.53 5.44 2.12 -0.25 -4.98 118.70 124.71 1ddr s GLU 139 Ca 0.11 0.01 -0.16 0.00 0.36 0.00 0.00 54.97 55.29 1ddr s GLU 139 Cb -0.13 -1.36 -0.07 0.00 0.26 0.00 0.00 34.13 32.83 1ddr s GLU 139 CO -0.17 -0.49 0.99 0.12 -0.54 0.00 0.00 175.26 175.16 1ddr s PHE 140 N 2.05 3.48 0.01 5.30 5.36 -1.26 -1.23 117.98 131.68 1ddr s PHE 140 Ca 0.03 1.43 -0.10 0.00 -0.96 0.00 0.00 56.93 57.33 1ddr s PHE 140 Cb -0.14 -2.77 0.01 0.00 -0.34 0.00 0.00 43.02 39.77 1ddr s PHE 140 CO -0.06 -0.41 0.21 -1.01 -1.46 0.00 0.00 175.22 172.49 1ddr s HIS 141 N -2.70 -0.02 0.16 10.12 3.76 0.12 -4.95 115.29 121.77 1ddr s HIS 141 Ca 0.58 -0.05 -0.02 0.00 -0.15 0.00 0.00 55.06 55.42 1ddr s HIS 141 Cb -0.10 0.00 -0.05 0.00 1.11 0.00 0.00 32.58 33.54 1ddr s HIS 141 CO 0.35 -0.36 0.37 -0.51 -0.85 0.00 0.00 174.74 173.74 1ddr s ASP 142 N -1.56 6.43 0.28 1.40 1.11 -1.26 -1.53 116.67 121.53 1ddr s ASP 142 Ca -0.12 0.47 -0.29 0.00 0.18 0.00 0.00 52.55 52.79 1ddr s ASP 142 Cb -0.05 -2.04 -0.10 0.00 1.07 0.00 0.00 42.92 41.80 1ddr s ASP 142 CO 0.01 0.01 1.14 0.00 1.18 0.00 0.00 175.17 177.51 1ddr s ALA 143 N -1.75 3.42 0.44 5.23 0.00 -1.23 -4.78 121.76 123.10 1ddr s ALA 143 Ca 0.39 0.96 0.04 0.00 0.00 0.00 0.00 51.96 53.35 1ddr s ALA 143 Cb -0.12 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 1ddr s ALA 143 CO 0.27 -0.26 0.14 0.16 0.00 0.00 0.00 175.76 176.07 1ddr s ASP 144 N -0.72 3.05 0.00 0.00 1.47 0.10 -4.95 116.67 115.62 1ddr s ASP 144 Ca 0.46 -1.74 0.03 0.00 1.18 0.00 0.00 52.55 52.48 1ddr s ASP 144 Cb -0.33 0.63 0.19 0.00 -0.34 0.00 0.00 42.92 43.07 1ddr s ASP 144 CO 0.43 -1.00 0.56 0.00 0.68 0.00 0.00 175.17 175.83 1ddr n ALA 145 N -1.00 1.67 0.00 2.11 0.00 -1.26 -1.45 120.51 120.59 1ddr n ALA 145 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1ddr n ALA 145 Cb 0.65 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1ddr n ALA 145 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ddr n GLN 146 N -0.83 2.81 -3.91 0.00 3.00 -1.26 -4.97 117.38 112.22 1ddr n GLN 146 Ca 0.02 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.66 1ddr n GLN 146 Cb 0.01 -0.90 -0.14 0.00 0.00 0.00 0.00 30.24 29.21 1ddr n GLN 146 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1ddr s ASN 147 N -2.76 4.88 0.66 1.08 0.01 -0.52 -4.41 114.94 113.88 1ddr s ASN 147 Ca 0.00 -1.26 0.44 0.00 -0.71 0.00 0.00 52.86 51.33 1ddr s ASN 147 Cb 0.00 -1.71 2.33 0.00 0.41 0.00 0.00 41.25 42.28 1ddr s ASN 147 CO 0.00 -0.26 2.34 0.77 -1.51 0.00 0.00 177.10 178.44 1ddr h SER 148 N 8.00 0.00 -4.73 -1.22 4.64 -0.97 0.29 113.55 119.56 1ddr h SER 148 Ca -0.21 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.84 1ddr h SER 148 Cb 1.06 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.01 1ddr h SER 148 CO 0.53 0.00 -0.65 -1.00 -0.87 0.00 0.00 176.83 174.84 1ddr s HIS 149 N -4.10 1.17 0.40 4.77 3.76 -1.26 -4.87 115.29 115.15 1ddr s HIS 149 Ca -0.04 -1.09 -0.21 0.00 -0.15 0.00 0.00 55.06 53.56 1ddr s HIS 149 Cb 0.13 -0.66 -0.11 0.00 1.11 0.00 0.00 32.58 33.05 1ddr s HIS 149 CO 0.43 -0.30 0.92 -1.12 -0.85 0.00 0.00 174.74 173.82 1ddr s SER 150 N -3.16 7.00 0.11 1.40 0.01 -1.26 -3.50 113.70 114.30 1ddr s SER 150 Ca 0.26 1.67 -0.24 0.00 1.31 0.00 0.00 55.95 58.95 1ddr s SER 150 Cb 0.07 -2.53 0.07 0.00 0.21 0.00 0.00 66.02 63.83 1ddr s SER 150 CO 0.05 -0.28 0.60 -0.72 0.41 0.00 0.00 173.24 173.29 1ddr s TYR 151 N -2.04 -0.53 -0.04 2.43 -0.85 -0.58 -2.54 117.35 113.19 1ddr s TYR 151 Ca 0.59 0.45 0.02 0.00 -0.52 0.00 0.00 57.07 57.61 1ddr s TYR 151 Cb -0.11 0.50 0.01 0.00 0.38 0.00 0.00 41.96 42.74 1ddr s TYR 151 CO 0.16 -0.79 -0.09 0.00 -1.52 0.00 0.00 175.55 173.31 1ddr s PHE 153 N 0.49 3.58 -0.01 0.00 0.08 -0.37 -0.21 117.98 121.54 1ddr s PHE 153 Ca -0.08 0.91 -0.09 0.00 0.12 0.00 0.00 56.93 57.79 1ddr s PHE 153 Cb -0.12 -2.46 0.01 0.00 -0.57 0.00 0.00 43.02 39.88 1ddr s PHE 153 CO 0.01 0.32 0.19 -2.00 -0.10 0.00 0.00 175.22 173.65 1ddr s GLU 154 N 0.07 0.49 -0.08 0.44 2.12 -0.03 -1.09 118.70 120.62 1ddr s GLU 154 Ca 0.25 -0.24 0.02 0.00 0.36 0.00 0.00 54.97 55.35 1ddr s GLU 154 Cb -0.16 0.21 0.02 0.00 0.26 0.00 0.00 34.13 34.46 1ddr s GLU 154 CO 0.11 -0.12 -0.12 0.42 -0.54 0.00 0.00 175.26 175.01 1ddr s ILE 155 N -1.14 1.18 -0.19 -3.70 1.01 -0.28 -0.36 121.20 117.72 1ddr s ILE 155 Ca -0.12 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.07 1ddr s ILE 155 Cb -0.06 -1.10 0.02 0.00 0.01 0.00 0.00 42.46 41.33 1ddr s ILE 155 CO 0.02 0.37 -0.18 -0.76 0.00 0.00 0.00 174.94 174.40 1ddr s LEU 156 N 0.95 2.34 0.41 2.97 2.01 -0.95 -0.21 118.68 126.19 1ddr s LEU 156 Ca -0.09 -0.71 -0.17 0.00 0.01 0.00 0.00 54.13 53.17 1ddr s LEU 156 Cb -0.15 -1.51 -0.09 0.00 0.01 0.00 0.00 46.19 44.45 1ddr s LEU 156 CO 0.00 -0.02 0.86 -1.61 1.01 0.00 0.00 176.35 176.59 1ddr s GLU 157 N 1.28 4.05 0.13 1.70 0.41 0.12 -2.11 118.70 124.28 1ddr s GLU 157 Ca 0.04 0.86 -0.25 0.00 -0.41 0.00 0.00 54.97 55.21 1ddr s GLU 157 Cb -0.14 -2.28 -0.07 0.00 -1.78 0.00 0.00 34.13 29.86 1ddr s GLU 157 CO -0.11 -0.01 0.76 0.50 -0.49 0.00 0.00 175.26 175.90 1ddr s ARG 158 N -3.36 4.52 0.00 1.61 3.52 -0.44 -0.51 118.95 124.30 1ddr s ARG 158 Ca 0.58 1.10 0.00 0.00 -0.13 0.00 0.00 55.73 57.28 1ddr s ARG 158 Cb -0.10 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 30.00 1ddr s ARG 158 CO 0.20 0.50 0.36 2.89 -0.81 0.00 0.00 175.30 178.44