#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 5.24 0.03 3.17 1.01 -1.26 -0.31 121.20 129.09 1ddr s ILE 2 Ca 0.00 0.59 0.03 0.00 0.00 0.00 0.00 60.65 61.27 1ddr s ILE 2 Cb 0.00 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 1ddr s ILE 2 CO 0.00 0.53 -0.09 -0.44 0.00 0.00 0.00 174.94 174.94 1ddr s SER 3 N -0.58 1.05 0.10 3.58 0.01 0.95 -1.72 113.70 117.08 1ddr s SER 3 Ca 0.19 -0.44 0.06 0.00 1.31 0.00 0.00 55.95 57.07 1ddr s SER 3 Cb -0.14 -0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 1ddr s SER 3 CO 0.08 -0.08 -0.03 -0.76 0.41 0.00 0.00 173.24 172.86 1ddr s LEU 4 N -1.18 3.35 -0.02 2.44 1.02 -1.05 -1.56 118.68 121.68 1ddr s LEU 4 Ca -0.04 -0.25 0.03 0.00 0.02 0.00 0.00 54.13 53.89 1ddr s LEU 4 Cb -0.08 -2.09 -0.00 0.00 0.02 0.00 0.00 46.19 44.04 1ddr s LEU 4 CO 0.01 0.17 -0.10 -0.51 0.02 0.00 0.00 176.35 175.94 1ddr s ILE 5 N -1.32 0.83 0.13 -0.59 2.07 -0.67 -1.85 121.20 119.79 1ddr s ILE 5 Ca 0.25 -0.40 -0.17 0.00 -1.41 0.00 0.00 60.65 58.91 1ddr s ILE 5 Cb -0.11 -0.73 0.04 0.00 0.13 0.00 0.00 42.46 41.79 1ddr s ILE 5 CO 0.17 0.25 0.44 0.00 -1.91 0.00 0.00 174.94 173.89 1ddr s ALA 6 N 0.06 -1.06 -0.40 1.50 0.00 -0.87 -4.56 121.76 116.43 1ddr s ALA 6 Ca -0.01 0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.06 1ddr s ALA 6 Cb -0.07 0.71 0.11 0.00 0.00 0.00 0.00 23.12 23.86 1ddr s ALA 6 CO 0.00 -0.66 0.13 0.00 0.00 0.00 0.00 175.76 175.24 1ddr s ALA 7 N -3.72 3.05 -0.23 0.00 0.00 -1.26 -1.58 121.76 118.02 1ddr s ALA 7 Ca 0.02 -2.77 -0.10 0.00 0.00 0.00 0.00 51.96 49.10 1ddr s ALA 7 Cb 0.01 -2.07 -0.05 0.00 0.00 0.00 0.00 23.12 21.01 1ddr s ALA 7 CO -0.12 -1.80 0.16 -0.51 0.00 0.00 0.00 175.76 173.49 1ddr s LEU 8 N 0.54 4.13 0.00 0.00 1.02 -0.43 -4.57 118.68 119.37 1ddr s LEU 8 Ca 0.13 0.13 -0.04 0.00 0.02 0.00 0.00 54.13 54.37 1ddr s LEU 8 Cb -0.21 -2.11 0.09 0.00 0.02 0.00 0.00 46.19 43.98 1ddr s LEU 8 CO -0.05 0.08 0.58 0.00 0.02 0.00 0.00 176.35 176.98 1ddr n ALA 9 N 4.17 -0.35 -1.58 4.21 0.00 0.83 -2.12 120.51 125.66 1ddr n ALA 9 Ca -0.15 -0.91 -0.41 0.00 0.00 0.00 0.00 53.44 51.96 1ddr n ALA 9 Cb 0.52 0.05 0.02 0.00 0.00 0.00 0.00 19.45 20.04 1ddr n ALA 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ddr n VAL 10 N -2.53 2.47 -2.81 0.00 0.31 -0.91 -2.45 118.33 112.40 1ddr n VAL 10 Ca 0.08 -0.50 -0.21 0.00 -0.01 0.00 0.00 64.34 63.70 1ddr n VAL 10 Cb 0.29 -1.05 0.02 0.00 -0.91 0.00 0.00 33.84 32.19 1ddr n VAL 10 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1ddr n ASP 11 N 0.49 -5.94 -1.30 4.52 8.00 -1.26 -2.35 116.55 118.72 1ddr n ASP 11 Ca 0.10 -0.20 -0.16 0.00 0.71 0.00 0.00 54.79 55.24 1ddr n ASP 11 Cb 0.40 -4.81 -0.07 0.00 -0.02 0.00 0.00 41.12 36.62 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 -3.63 -1.54 -1.69 -1.24 1.74 -1.03 -4.77 116.66 104.50 1ddr n ARG 12 Ca -0.15 1.05 -0.42 0.00 -0.77 0.00 0.00 57.85 57.56 1ddr n ARG 12 Cb 0.64 -5.43 -0.03 0.00 -1.02 0.00 0.00 32.46 26.62 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 -2.38 3.09 -0.56 1.55 1.01 -0.99 -0.68 120.40 121.43 1ddr s VAL 13 Ca 0.00 0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.15 1ddr s VAL 13 Cb 0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1ddr s VAL 13 CO 0.00 -0.03 0.45 2.30 0.00 0.00 0.00 175.10 177.82 1ddr n ILE 14 N 6.48 0.00 -3.60 2.22 -5.35 -0.80 -0.12 119.36 118.19 1ddr n ILE 14 Ca 0.24 -0.38 -0.11 0.00 -0.27 0.00 0.00 62.75 62.23 1ddr n ILE 14 Cb 0.43 1.05 -0.06 0.00 -1.74 0.00 0.00 39.64 39.32 1ddr n ILE 14 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1ddr s GLY 15 N -1.40 -0.27 0.49 3.28 0.00 -1.17 -4.97 107.32 103.27 1ddr s GLY 15 Ca 0.05 2.19 0.06 0.00 0.00 0.00 0.00 44.72 47.01 1ddr s GLY 15 CO 0.25 1.35 0.31 1.06 0.00 0.00 0.00 173.10 176.06 1ddr s MET 16 N -0.56 2.28 0.29 2.90 -1.94 -1.26 -1.14 119.30 119.87 1ddr s MET 16 Ca -0.01 -1.94 0.08 0.00 -1.71 0.00 0.00 55.69 52.12 1ddr s MET 16 Cb -0.02 -2.06 0.44 0.00 2.01 0.00 0.00 34.83 35.20 1ddr s MET 16 CO -0.00 -0.40 1.68 0.93 -0.01 0.00 0.00 175.02 177.21 1ddr h GLU 17 N 1.02 0.15 0.00 2.03 5.08 -1.98 -3.45 114.58 117.42 1ddr h GLU 17 Ca -0.40 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1ddr h GLU 17 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1ddr h GLU 17 CO 0.62 0.60 0.00 0.09 -1.00 0.00 0.00 179.01 179.32 1ddr n ASN 18 N -3.96 1.52 -4.76 1.42 3.02 -1.26 -5.12 115.26 106.11 1ddr n ASN 18 Ca -0.02 -0.84 -0.32 0.00 -0.03 0.00 0.00 54.58 53.38 1ddr n ASN 18 Cb 0.52 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.78 1ddr n ASN 18 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ddr s ALA 19 N -2.00 2.24 0.18 5.41 0.00 -1.26 -4.99 121.76 121.34 1ddr s ALA 19 Ca 0.00 0.37 -0.30 0.00 0.00 0.00 0.00 51.96 52.03 1ddr s ALA 19 Cb 0.00 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.74 1ddr s ALA 19 CO 0.00 -1.73 1.08 -1.64 0.00 0.00 0.00 175.76 173.47 1ddr s MET 20 N -4.68 4.61 -1.14 0.00 -1.94 -1.26 -4.86 119.30 110.03 1ddr s MET 20 Ca 0.63 1.69 -0.19 0.00 -1.71 0.00 0.00 55.69 56.12 1ddr s MET 20 Cb -0.19 -3.28 -0.05 0.00 2.01 0.00 0.00 34.83 33.33 1ddr s MET 20 CO 0.53 0.11 2.00 -2.30 -0.01 0.00 0.00 175.02 175.34 1ddr n PRO 21 N 2.31 2.22 0.00 2.03 -0.02 -1.26 -4.87 135.00 135.40 1ddr n PRO 21 Ca 0.02 -2.41 0.00 0.00 -2.02 0.00 0.00 63.50 59.10 1ddr n PRO 21 Cb 0.46 -3.25 0.00 0.00 -0.02 0.00 0.00 33.50 30.69 1ddr n PRO 21 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1ddr n TRP 22 N 8.22 0.00 -4.00 6.00 2.14 -1.26 -5.01 117.44 123.53 1ddr n TRP 22 Ca 0.50 0.00 -0.31 0.00 2.07 0.00 0.00 57.50 59.76 1ddr n TRP 22 Cb 0.42 0.00 -0.15 0.00 -0.81 0.00 0.00 31.31 30.77 1ddr n TRP 22 CO 0.00 0.00 0.00 1.21 2.07 0.00 0.00 177.69 180.97 1ddr s ASN 23 N 0.00 4.60 -0.60 -0.67 2.47 -1.26 -4.99 114.94 114.48 1ddr s ASN 23 Ca 0.00 -1.93 0.06 0.00 0.42 0.00 0.00 52.86 51.41 1ddr s ASN 23 Cb 0.00 -1.53 0.24 0.00 -1.45 0.00 0.00 41.25 38.51 1ddr s ASN 23 CO 0.00 -0.34 0.68 0.18 -3.72 0.00 0.00 177.10 173.90 1ddr n LEU 24 N 4.36 3.06 -0.09 3.21 4.77 -1.26 -1.08 117.00 129.96 1ddr n LEU 24 Ca -0.01 -5.29 0.14 0.00 -0.03 0.00 0.00 56.01 50.82 1ddr n LEU 24 Cb 0.42 -0.45 0.52 0.00 -2.33 0.00 0.00 43.42 41.58 1ddr n LEU 24 CO 0.21 2.03 1.19 -0.65 -1.33 0.00 0.00 177.39 178.83 1ddr h PRO 25 N 4.30 0.35 -0.42 3.23 0.11 -1.96 -2.06 132.00 135.55 1ddr h PRO 25 Ca 0.18 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.19 1ddr h PRO 25 Cb 0.71 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.72 1ddr h PRO 25 CO 0.76 0.23 -0.04 0.00 -0.21 0.00 0.00 178.00 178.74 1ddr h ALA 26 N 1.69 1.15 0.00 -0.75 0.00 -1.91 -0.91 119.26 118.52 1ddr h ALA 26 Ca 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ddr h ALA 26 Cb 0.66 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1ddr h ALA 26 CO -0.08 0.55 -0.13 0.22 0.00 0.00 0.00 179.25 179.81 1ddr h ASP 27 N 0.65 0.00 1.06 0.00 3.58 -1.80 0.68 116.42 120.60 1ddr h ASP 27 Ca 0.13 -0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.42 1ddr h ASP 27 Cb 0.46 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 1ddr h ASP 27 CO 0.02 0.00 -0.74 -0.07 -2.88 0.00 0.00 179.24 175.57 1ddr h LEU 28 N 0.00 0.00 0.30 2.28 3.38 -1.21 0.81 115.31 120.87 1ddr h LEU 28 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1ddr h LEU 28 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1ddr h LEU 28 CO 0.00 0.74 -0.14 0.00 0.09 0.00 0.00 178.44 179.13 1ddr h ALA 29 N 1.26 -0.40 -0.94 1.53 0.00 -1.01 -2.53 119.26 117.17 1ddr h ALA 29 Ca -0.01 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.85 1ddr h ALA 29 Cb 1.48 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 19.34 1ddr h ALA 29 CO 0.10 -0.43 0.57 2.35 0.00 0.00 0.00 179.25 181.83 1ddr h TRP 30 N -0.99 1.03 -0.39 0.00 2.91 -0.87 -2.08 115.95 115.56 1ddr h TRP 30 Ca -0.04 0.03 0.03 0.00 1.13 0.00 0.00 58.89 60.04 1ddr h TRP 30 Cb 0.48 -0.32 -0.04 0.00 -0.51 0.00 0.00 29.16 28.78 1ddr h TRP 30 CO 0.04 0.39 0.18 0.35 -1.03 0.00 0.00 178.44 178.37 1ddr h PHE 31 N 0.90 0.34 -0.21 2.65 3.57 -0.87 -3.08 116.94 120.24 1ddr h PHE 31 Ca 0.47 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.94 1ddr h PHE 31 Cb 0.48 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1ddr h PHE 31 CO -0.03 0.17 -0.03 -0.22 -2.23 0.00 0.00 178.31 175.98 1ddr h LYS 32 N 0.38 0.38 -0.74 1.11 3.64 -0.94 -2.30 116.57 118.10 1ddr h LYS 32 Ca 0.17 -0.14 0.14 0.00 -1.27 0.00 0.00 60.65 59.55 1ddr h LYS 32 Cb 0.09 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.84 1ddr h LYS 32 CO -0.13 0.61 0.49 -0.09 -2.27 0.00 0.00 179.45 178.06 1ddr h ARG 33 N 0.13 0.45 0.00 1.90 2.43 -1.46 0.59 114.38 118.42 1ddr h ARG 33 Ca 0.06 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.06 1ddr h ARG 33 Cb 0.45 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 1ddr h ARG 33 CO 0.02 0.29 -1.10 -0.91 -1.51 0.00 0.00 179.97 176.76 1ddr h ASN 34 N 0.46 0.00 0.02 -3.80 2.35 -1.44 -3.37 115.58 109.80 1ddr h ASN 34 Ca 0.36 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.85 1ddr h ASN 34 Cb 0.76 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.08 1ddr h ASN 34 CO -0.12 0.53 -2.25 0.35 -1.65 0.00 0.00 177.43 174.29 1ddr n THR 35 N -2.99 1.01 -1.62 2.81 -2.24 -0.88 -4.97 114.28 105.41 1ddr n THR 35 Ca -0.05 -0.76 -0.52 0.00 -2.27 0.00 0.00 64.05 60.45 1ddr n THR 35 Cb 0.79 -0.35 -0.06 0.00 -2.10 0.00 0.00 70.33 68.62 1ddr n THR 35 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1ddr n LEU 36 N -2.62 2.00 -1.20 3.22 7.94 0.20 -1.58 117.00 124.95 1ddr n LEU 36 Ca -0.24 1.10 -0.10 0.00 -1.11 0.00 0.00 56.01 55.66 1ddr n LEU 36 Cb 0.99 -1.23 0.00 0.00 0.53 0.00 0.00 43.42 43.71 1ddr n LEU 36 CO 0.44 -0.84 -0.09 0.59 -1.11 0.00 0.00 177.39 176.38 1ddr n ASN 37 N 3.07 -3.37 -4.24 1.96 3.02 -0.39 -5.00 115.26 110.32 1ddr n ASN 37 Ca 0.19 -0.04 -0.13 0.00 -0.03 0.00 0.00 54.58 54.57 1ddr n ASN 37 Cb 0.20 -2.55 -0.10 0.00 -0.61 0.00 0.00 39.78 36.72 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 -4.62 1.11 -0.10 3.52 1.02 -0.62 -5.01 119.74 115.04 1ddr s LYS 38 Ca 0.03 -1.54 -0.23 0.00 0.02 0.00 0.00 55.97 54.25 1ddr s LYS 38 Cb -0.01 -0.19 -0.03 0.00 -0.52 0.00 0.00 37.83 37.07 1ddr s LYS 38 CO 0.04 -0.16 0.71 -2.14 -0.92 0.00 0.00 175.35 172.88 1ddr s PRO 39 N -3.95 4.39 -0.17 -1.68 0.02 -1.26 -1.87 135.00 130.48 1ddr s PRO 39 Ca 0.25 0.87 -0.05 0.00 0.02 0.00 0.00 61.00 62.10 1ddr s PRO 39 Cb 0.06 -3.49 -0.03 0.00 0.02 0.00 0.00 34.50 31.07 1ddr s PRO 39 CO 0.05 -0.04 -0.00 0.14 -0.33 0.00 0.00 177.00 176.81 1ddr s VAL 40 N 1.17 4.13 -0.15 3.83 -7.23 0.14 -2.43 120.40 119.86 1ddr s VAL 40 Ca 0.37 -0.27 -0.05 0.00 -1.81 0.00 0.00 61.98 60.22 1ddr s VAL 40 Cb -0.17 -2.84 -0.03 0.00 0.56 0.00 0.00 36.38 33.89 1ddr s VAL 40 CO 0.16 0.47 0.01 -0.63 -0.31 0.00 0.00 175.10 174.80 1ddr s ILE 41 N 0.51 4.33 0.19 -0.62 1.01 0.12 -0.88 121.20 125.85 1ddr s ILE 41 Ca -0.01 -0.21 -0.09 0.00 0.00 0.00 0.00 60.65 60.34 1ddr s ILE 41 Cb -0.14 -2.91 -0.01 0.00 0.01 0.00 0.00 42.46 39.42 1ddr s ILE 41 CO 0.02 0.50 0.32 0.00 0.00 0.00 0.00 174.94 175.79 1ddr s MET 42 N 0.13 1.26 0.49 2.79 0.23 -0.53 -1.04 119.30 122.64 1ddr s MET 42 Ca 0.02 -1.22 -0.01 0.00 -1.03 0.00 0.00 55.69 53.45 1ddr s MET 42 Cb -0.13 0.40 0.00 0.00 -1.53 0.00 0.00 34.83 33.57 1ddr s MET 42 CO 0.02 -0.48 0.74 0.20 -2.03 0.00 0.00 175.02 173.47 1ddr s GLY 43 N -2.99 1.60 0.45 3.16 0.00 0.11 -1.58 107.32 108.07 1ddr s GLY 43 Ca 0.20 -0.99 0.31 0.00 0.00 0.00 0.00 44.72 44.24 1ddr s GLY 43 CO 0.03 -0.78 1.94 -0.09 0.00 0.00 0.00 173.10 174.20 1ddr h ARG 44 N 0.23 0.00 0.00 2.90 2.43 -1.90 0.19 114.38 118.23 1ddr h ARG 44 Ca -0.46 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.45 1ddr h ARG 44 Cb 1.26 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.76 1ddr h ARG 44 CO 0.58 0.00 -1.64 0.45 -1.51 0.00 0.00 179.97 177.85 1ddr h HIS 45 N 0.00 0.00 -0.04 2.20 3.86 -1.93 -0.98 115.15 118.26 1ddr h HIS 45 Ca 0.00 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.97 1ddr h HIS 45 Cb 0.07 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.55 1ddr h HIS 45 CO 0.00 0.92 -0.91 1.15 0.86 0.00 0.00 177.93 179.95 1ddr h THR 46 N 0.00 1.30 0.52 2.45 2.02 -1.47 -0.17 112.91 117.56 1ddr h THR 46 Ca -0.26 -2.15 -0.02 0.00 0.77 0.00 0.00 66.41 64.76 1ddr h THR 46 Cb 1.93 2.32 -0.02 0.00 -1.74 0.00 0.00 68.15 70.64 1ddr h THR 46 CO 0.07 0.66 -0.42 -0.25 0.37 0.00 0.00 175.52 175.96 1ddr h TRP 47 N 0.35 -1.13 0.00 3.16 2.91 -0.76 0.23 115.95 120.70 1ddr h TRP 47 Ca -0.10 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.92 1ddr h TRP 47 Cb 1.57 0.43 0.00 0.00 -0.51 0.00 0.00 29.16 30.64 1ddr h TRP 47 CO 0.11 -0.60 0.00 0.93 -1.03 0.00 0.00 178.44 177.85 1ddr h GLU 48 N -0.93 0.00 0.16 2.65 5.08 -1.22 -2.37 114.58 117.95 1ddr h GLU 48 Ca -0.06 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.96 1ddr h GLU 48 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1ddr h GLU 48 CO -0.00 0.00 -1.72 1.03 -1.00 0.00 0.00 179.01 177.32 1ddr h SER 49 N 0.00 0.54 -0.10 1.42 0.87 0.02 -3.35 113.55 112.94 1ddr h SER 49 Ca 0.00 -0.82 -0.02 0.00 -1.23 0.00 0.00 61.79 59.72 1ddr h SER 49 Cb 0.28 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1ddr h SER 49 CO 0.00 1.70 -0.01 0.40 -0.53 0.00 0.00 176.83 178.39 1ddr h ILE 50 N 0.09 1.26 0.00 2.23 2.04 -0.76 -3.48 117.51 118.90 1ddr h ILE 50 Ca -0.33 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 64.69 1ddr h ILE 50 Cb 2.08 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 39.78 1ddr h ILE 50 CO 0.17 0.24 0.00 0.61 0.00 0.00 0.00 178.15 179.17 1ddr n GLY 51 N -0.23 3.03 3.29 5.37 0.00 -0.91 -5.00 105.19 110.73 1ddr n GLY 51 Ca -0.06 -0.83 -0.21 0.00 0.00 0.00 0.00 46.02 44.92 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 0.00 1.15 0.14 1.61 1.70 -1.26 -5.00 118.95 117.28 1ddr s ARG 52 Ca 0.00 -1.27 -0.31 0.00 -0.47 0.00 0.00 55.73 53.67 1ddr s ARG 52 Cb 0.00 -1.22 -0.09 0.00 -0.57 0.00 0.00 34.95 33.08 1ddr s ARG 52 CO 0.00 0.26 1.44 -2.14 -1.08 0.00 0.00 175.30 173.78 1ddr s PRO 53 N -2.47 4.29 0.04 3.89 0.02 -1.26 -4.95 135.00 134.56 1ddr s PRO 53 Ca 0.11 2.17 -0.30 0.00 0.02 0.00 0.00 61.00 63.00 1ddr s PRO 53 Cb -0.07 -3.21 -0.09 0.00 0.02 0.00 0.00 34.50 31.15 1ddr s PRO 53 CO 0.05 -0.48 1.93 -0.51 -0.33 0.00 0.00 177.00 177.66 1ddr s LEU 54 N 0.99 4.43 0.04 -5.54 1.43 -1.26 -4.93 118.68 113.83 1ddr s LEU 54 Ca 0.66 2.66 -0.30 0.00 -1.03 0.00 0.00 54.13 56.11 1ddr s LEU 54 Cb -0.39 -3.53 -0.08 0.00 0.03 0.00 0.00 46.19 42.21 1ddr s LEU 54 CO 0.31 -1.04 1.76 -2.84 0.23 0.00 0.00 176.35 174.78 1ddr s PRO 55 N 4.26 4.17 0.00 1.29 0.02 -1.26 -3.44 135.00 140.04 1ddr s PRO 55 Ca 0.87 2.42 0.00 0.00 0.02 0.00 0.00 61.00 64.31 1ddr s PRO 55 Cb -0.42 -3.82 0.00 0.00 0.02 0.00 0.00 34.50 30.28 1ddr s PRO 55 CO 0.40 -0.83 0.00 0.41 -0.33 0.00 0.00 177.00 176.65 1ddr n GLY 56 N 4.20 0.72 3.17 0.52 0.00 -1.26 -4.89 105.19 107.65 1ddr n GLY 56 Ca 0.17 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.29 0.74 -0.24 1.61 0.52 -1.22 -1.26 118.95 116.81 1ddr s ARG 57 Ca 0.00 -0.90 -0.10 0.00 -0.52 0.00 0.00 55.73 54.21 1ddr s ARG 57 Cb 0.00 0.30 -0.05 0.00 0.52 0.00 0.00 34.95 35.72 1ddr s ARG 57 CO 0.00 -0.21 0.14 0.21 0.02 0.00 0.00 175.30 175.46 1ddr s LYS 58 N -3.43 4.02 -0.17 3.54 2.20 -0.78 -4.91 119.74 120.21 1ddr s LYS 58 Ca 0.02 -0.30 -0.16 0.00 -0.36 0.00 0.00 55.97 55.17 1ddr s LYS 58 Cb 0.03 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 1ddr s LYS 58 CO -0.09 0.04 0.39 -0.80 -0.36 0.00 0.00 175.35 174.54 1ddr s ASN 59 N 1.08 6.51 -0.22 1.43 0.02 -1.26 0.24 114.94 122.74 1ddr s ASN 59 Ca 0.07 0.60 0.01 0.00 -1.02 0.00 0.00 52.86 52.52 1ddr s ASN 59 Cb -0.14 -2.23 0.05 0.00 0.02 0.00 0.00 41.25 38.95 1ddr s ASN 59 CO 0.04 -0.01 -0.09 -0.63 0.02 0.00 0.00 177.10 176.43 1ddr s ILE 60 N 0.89 1.73 -0.19 0.60 1.09 -0.06 -0.86 121.20 124.39 1ddr s ILE 60 Ca 0.20 -1.19 -0.09 0.00 -1.10 0.00 0.00 60.65 58.47 1ddr s ILE 60 Cb -0.14 -1.86 -0.05 0.00 -1.06 0.00 0.00 42.46 39.35 1ddr s ILE 60 CO 0.07 0.06 0.10 -0.63 -0.10 0.00 0.00 174.94 174.45 1ddr s ILE 61 N 1.33 5.15 -0.13 2.92 -1.09 0.18 -1.45 121.20 128.12 1ddr s ILE 61 Ca -0.04 0.10 -0.06 0.00 -2.23 0.00 0.00 60.65 58.42 1ddr s ILE 61 Cb -0.18 -3.34 -0.04 0.00 -1.58 0.00 0.00 42.46 37.32 1ddr s ILE 61 CO -0.07 0.44 0.09 -0.22 -1.23 0.00 0.00 174.94 173.96 1ddr s LEU 62 N 0.39 4.08 -0.30 2.97 2.96 -0.62 0.20 118.68 128.38 1ddr s LEU 62 Ca 0.06 0.30 -0.17 0.00 -0.22 0.00 0.00 54.13 54.10 1ddr s LEU 62 Cb -0.12 -2.00 0.22 0.00 0.50 0.00 0.00 46.19 44.79 1ddr s LEU 62 CO -0.01 0.33 1.30 -0.55 -1.32 0.00 0.00 176.35 176.10 1ddr s SER 63 N -0.58 -0.01 0.00 3.68 0.15 -0.23 -3.50 113.70 113.22 1ddr s SER 63 Ca 0.12 0.02 0.20 0.00 0.70 0.00 0.00 55.95 56.98 1ddr s SER 63 Cb -0.12 1.01 1.00 0.00 -1.71 0.00 0.00 66.02 66.20 1ddr s SER 63 CO 0.02 -0.00 1.61 -1.54 1.20 0.00 0.00 173.24 174.53 1ddr n SER 64 N 3.22 0.00 -4.85 5.45 3.41 -1.26 -4.10 113.62 115.49 1ddr n SER 64 Ca -0.16 -0.02 -0.31 0.00 -0.26 0.00 0.00 58.87 58.12 1ddr n SER 64 Cb 0.56 -0.27 -0.05 0.00 -0.26 0.00 0.00 64.21 64.18 1ddr n SER 64 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1ddr s GLN 65 N -2.54 3.17 0.25 4.33 -0.21 -1.26 -5.06 119.66 118.34 1ddr s GLN 65 Ca 0.19 -0.54 -0.30 0.00 0.02 0.00 0.00 55.36 54.73 1ddr s GLN 65 Cb 0.13 -2.90 -0.11 0.00 1.00 0.00 0.00 33.01 31.14 1ddr s GLN 65 CO 0.29 0.60 1.54 -1.25 -2.12 0.00 0.00 175.29 174.36 1ddr s PRO 66 N -2.34 4.19 0.29 2.91 0.04 -1.26 -4.99 135.00 133.83 1ddr s PRO 66 Ca 0.31 2.45 -0.29 0.00 0.04 0.00 0.00 61.00 63.50 1ddr s PRO 66 Cb -0.13 -3.08 -0.13 0.00 0.04 0.00 0.00 34.50 31.21 1ddr s PRO 66 CO 0.23 -0.56 1.29 0.41 0.04 0.00 0.00 177.00 178.41 1ddr n GLY 67 N 2.55 0.51 0.03 0.56 0.00 -1.26 -4.98 105.19 102.59 1ddr n GLY 67 Ca 0.09 0.40 0.04 0.00 0.00 0.00 0.00 46.02 46.54 1ddr n GLY 67 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ddr n THR 68 N 0.97 1.33 -3.73 2.61 -2.24 -1.26 -5.02 114.28 106.94 1ddr n THR 68 Ca 0.08 -1.47 -0.15 0.00 -2.27 0.00 0.00 64.05 60.24 1ddr n THR 68 Cb 0.33 0.22 -0.15 0.00 -2.10 0.00 0.00 70.33 68.63 1ddr n THR 68 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ddr s ASP 69 N -1.70 0.20 0.56 3.42 2.15 -1.26 -5.03 116.67 115.01 1ddr s ASP 69 Ca 0.12 0.21 0.34 0.00 0.43 0.00 0.00 52.55 53.65 1ddr s ASP 69 Cb 0.10 0.09 1.53 0.00 -0.30 0.00 0.00 42.92 44.34 1ddr s ASP 69 CO 0.01 -0.17 2.05 0.44 -0.17 0.00 0.00 175.17 177.33 1ddr h ASP 70 N 7.55 0.00 0.87 -0.34 3.32 -2.04 -3.15 116.42 122.62 1ddr h ASP 70 Ca -0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1ddr h ASP 70 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1ddr h ASP 70 CO 0.37 0.03 -0.69 0.03 -1.72 0.00 0.00 179.24 177.26 1ddr h ARG 71 N 0.00 0.00 -6.44 3.56 3.08 -2.02 -3.48 114.38 109.09 1ddr h ARG 71 Ca -0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 1ddr h ARG 71 Cb 0.43 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.34 1ddr h ARG 71 CO 0.00 0.00 -0.71 0.14 -1.07 0.00 0.00 179.97 178.33 1ddr s VAL 72 N -3.19 3.32 -0.10 2.04 -7.23 -1.19 -4.90 120.40 109.15 1ddr s VAL 72 Ca 0.05 -1.56 -0.26 0.00 -1.81 0.00 0.00 61.98 58.40 1ddr s VAL 72 Cb 0.13 -2.64 -0.02 0.00 0.56 0.00 0.00 36.38 34.40 1ddr s VAL 72 CO 0.73 -0.08 0.84 -0.89 -0.31 0.00 0.00 175.10 175.39 1ddr s THR 73 N -1.65 4.92 0.18 5.32 2.01 -0.04 -4.92 115.64 121.47 1ddr s THR 73 Ca 0.25 1.70 0.04 0.00 0.31 0.00 0.00 61.69 63.99 1ddr s THR 73 Cb -0.09 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 1ddr s THR 73 CO 0.16 0.12 0.23 0.26 -0.69 0.00 0.00 174.62 174.69 1ddr s TRP 74 N 1.49 3.31 0.05 4.92 0.52 -1.26 -0.65 118.94 127.32 1ddr s TRP 74 Ca 0.42 0.02 -0.06 0.00 0.02 0.00 0.00 56.10 56.50 1ddr s TRP 74 Cb -0.18 -1.56 -0.01 0.00 -1.15 0.00 0.00 33.47 30.57 1ddr s TRP 74 CO 0.18 0.51 0.12 0.14 0.02 0.00 0.00 176.95 177.91 1ddr s VAL 75 N -1.82 0.14 -0.10 4.03 -7.23 0.13 -4.84 120.40 110.72 1ddr s VAL 75 Ca 0.33 -1.19 0.10 0.00 -1.81 0.00 0.00 61.98 59.41 1ddr s VAL 75 Cb -0.10 -1.11 -0.14 0.00 0.56 0.00 0.00 36.38 35.59 1ddr s VAL 75 CO 0.26 -0.66 0.25 0.29 -0.31 0.00 0.00 175.10 174.94 1ddr n LYS 76 N 0.44 0.99 -4.25 4.82 4.76 -1.26 -1.06 118.16 122.59 1ddr n LYS 76 Ca -0.17 -0.07 -0.14 0.00 -2.87 0.00 0.00 58.31 55.06 1ddr n LYS 76 Cb 0.60 -1.18 -0.10 0.00 -1.84 0.00 0.00 35.03 32.51 1ddr n LYS 76 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1ddr s SER 77 N -2.90 1.00 0.02 4.39 1.04 -1.26 -4.37 113.70 111.62 1ddr s SER 77 Ca -0.02 -1.27 -0.27 0.00 0.48 0.00 0.00 55.95 54.86 1ddr s SER 77 Cb 0.06 0.18 -0.15 0.00 0.10 0.00 0.00 66.02 66.21 1ddr s SER 77 CO 0.41 -0.67 1.16 0.58 0.98 0.00 0.00 173.24 175.69 1ddr h VAL 78 N 2.59 0.06 -0.00 5.02 2.07 -2.00 -2.77 116.25 121.23 1ddr h VAL 78 Ca -0.37 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1ddr h VAL 78 Cb 1.22 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1ddr h VAL 78 CO 0.61 0.01 0.07 0.44 0.02 0.00 0.00 177.57 178.71 1ddr h ASP 79 N -1.22 0.00 0.04 0.57 3.32 -2.00 -0.64 116.42 116.50 1ddr h ASP 79 Ca -0.10 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.75 1ddr h ASP 79 Cb 0.74 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.31 1ddr h ASP 79 CO 0.16 0.00 -0.82 -0.08 -1.72 0.00 0.00 179.24 176.78 1ddr h GLU 80 N 0.00 0.47 0.00 3.56 4.81 -1.97 -3.11 114.58 118.35 1ddr h GLU 80 Ca 0.00 -0.57 -0.03 0.00 -0.13 0.00 0.00 59.36 58.63 1ddr h GLU 80 Cb 0.14 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 1ddr h GLU 80 CO -0.00 1.21 -0.16 0.00 -0.73 0.00 0.00 179.01 179.33 1ddr h ALA 81 N 0.29 0.98 -0.44 2.92 0.00 -0.84 -2.82 119.26 119.35 1ddr h ALA 81 Ca -0.11 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1ddr h ALA 81 Cb 1.53 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1ddr h ALA 81 CO 0.16 0.20 0.03 0.82 0.00 0.00 0.00 179.25 180.45 1ddr h ILE 82 N 0.00 1.26 0.00 0.00 2.04 -1.36 -2.86 117.51 116.59 1ddr h ILE 82 Ca -0.00 -0.99 -0.10 0.00 1.00 0.00 0.00 64.86 64.77 1ddr h ILE 82 Cb 0.77 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1ddr h ILE 82 CO 0.02 0.34 -0.49 0.00 0.00 0.00 0.00 178.15 178.02 1ddr h ALA 83 N 0.92 1.18 -0.32 1.87 0.00 -1.46 -3.06 119.26 118.39 1ddr h ALA 83 Ca 0.13 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1ddr h ALA 83 Cb 0.45 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1ddr h ALA 83 CO 0.02 0.61 0.13 0.00 0.00 0.00 0.00 179.25 180.01 1ddr h ALA 84 N 1.51 1.63 0.00 0.00 0.00 -1.27 -0.85 119.26 120.28 1ddr h ALA 84 Ca -0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1ddr h ALA 84 Cb 0.88 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1ddr h ALA 84 CO 0.06 0.30 -0.54 0.00 0.00 0.00 0.00 179.25 179.08 1ddr n GLY 86 N 0.32 0.60 3.37 0.00 0.00 -0.33 -4.47 105.19 104.68 1ddr n GLY 86 Ca -0.01 -0.75 -0.45 0.00 0.00 0.00 0.00 46.02 44.82 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 6.17 -0.04 1.61 2.15 -1.26 -4.86 116.67 116.43 1ddr s ASP 87 Ca 0.00 -1.45 -0.11 0.00 0.43 0.00 0.00 52.55 51.42 1ddr s ASP 87 Cb 0.00 -2.20 0.02 0.00 -0.30 0.00 0.00 42.92 40.44 1ddr s ASP 87 CO 0.00 -0.75 0.25 0.68 -0.17 0.00 0.00 175.17 175.19 1ddr s VAL 88 N 1.73 0.04 0.38 1.11 -7.23 -1.26 -5.06 120.40 110.11 1ddr s VAL 88 Ca 0.05 -0.34 0.08 0.00 -1.81 0.00 0.00 61.98 59.96 1ddr s VAL 88 Cb -0.26 -0.48 0.17 0.00 0.56 0.00 0.00 36.38 36.37 1ddr s VAL 88 CO 0.06 -0.19 1.92 -0.65 -0.31 0.00 0.00 175.10 175.93 1ddr h PRO 89 N 4.69 0.30 -2.49 4.82 0.11 -1.96 -3.39 132.00 134.09 1ddr h PRO 89 Ca -0.28 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.67 1ddr h PRO 89 Cb 1.19 -0.04 -0.20 0.00 0.11 0.00 0.00 31.00 32.05 1ddr h PRO 89 CO 0.38 0.40 -0.04 -2.00 -0.21 0.00 0.00 178.00 176.53 1ddr s GLU 90 N -4.82 0.85 -0.04 1.05 2.12 -1.25 0.35 118.70 116.96 1ddr s GLU 90 Ca -0.06 0.11 0.05 0.00 0.36 0.00 0.00 54.97 55.44 1ddr s GLU 90 Cb 0.16 0.39 -0.01 0.00 0.26 0.00 0.00 34.13 34.93 1ddr s GLU 90 CO 0.74 -0.24 -0.21 0.42 -0.54 0.00 0.00 175.26 175.43 1ddr s ILE 91 N -1.10 1.72 -0.22 -3.70 1.01 0.58 -4.46 121.20 115.02 1ddr s ILE 91 Ca -0.11 -0.89 -0.05 0.00 0.00 0.00 0.00 60.65 59.60 1ddr s ILE 91 Cb -0.03 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 1ddr s ILE 91 CO 0.07 0.49 0.01 -0.04 0.00 0.00 0.00 174.94 175.46 1ddr s MET 92 N -0.13 3.55 -0.30 2.79 -1.94 -1.02 -0.04 119.30 122.21 1ddr s MET 92 Ca -0.02 -0.54 -0.13 0.00 -1.71 0.00 0.00 55.69 53.29 1ddr s MET 92 Cb -0.12 -3.14 -0.03 0.00 2.01 0.00 0.00 34.83 33.55 1ddr s MET 92 CO 0.02 -0.12 0.28 0.08 -0.01 0.00 0.00 175.02 175.27 1ddr s VAL 93 N 1.36 5.24 -0.88 -6.03 1.01 -0.60 -0.70 120.40 119.80 1ddr s VAL 93 Ca 0.05 0.15 0.20 0.00 0.00 0.00 0.00 61.98 62.37 1ddr s VAL 93 Cb -0.15 -3.67 -0.22 0.00 0.00 0.00 0.00 36.38 32.34 1ddr s VAL 93 CO 0.01 0.09 0.82 2.30 0.00 0.00 0.00 175.10 178.32 1ddr n ILE 94 N 5.13 0.00 0.00 2.22 -5.35 -0.21 -1.68 119.36 119.47 1ddr n ILE 94 Ca -0.11 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1ddr n ILE 94 Cb 0.51 0.95 0.00 0.00 -1.74 0.00 0.00 39.64 39.35 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 1.46 1.17 0.00 3.28 0.00 -1.25 -4.90 105.19 104.95 1ddr n GLY 95 Ca 0.03 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.34 3.13 0.11 -0.02 0.00 -1.26 -0.71 105.19 105.10 1ddr n GLY 96 Ca 0.00 -1.73 -0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.57 0.16 -0.02 0.00 -1.26 -0.22 105.19 108.28 1ddr n GLY 97 Ca 0.00 0.32 -0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 0.48 -0.32 1.61 2.47 -1.94 -0.28 114.38 116.40 1ddr h ARG 98 Ca 0.10 -0.19 -0.00 0.00 -1.26 0.00 0.00 59.98 58.64 1ddr h ARG 98 Cb 0.17 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.45 1ddr h ARG 98 CO -0.28 0.71 0.20 0.28 0.56 0.00 0.00 179.97 181.44 1ddr h VAL 99 N 0.22 1.10 0.25 2.04 2.07 -0.90 -0.10 116.25 120.93 1ddr h VAL 99 Ca 0.06 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1ddr h VAL 99 Cb 0.54 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1ddr h VAL 99 CO 0.03 0.10 -0.12 1.88 0.02 0.00 0.00 177.57 179.48 1ddr h TYR 100 N 0.42 -0.31 -0.68 1.57 0.05 -1.19 -2.27 116.97 114.56 1ddr h TYR 100 Ca 0.12 -0.01 0.14 0.00 0.05 0.00 0.00 58.73 59.03 1ddr h TYR 100 Cb -0.01 0.10 -0.12 0.00 1.01 0.00 0.00 36.73 37.71 1ddr h TYR 100 CO -0.04 -0.06 -0.10 1.49 -1.05 0.00 0.00 178.16 178.40 1ddr h GLU 101 N -0.53 0.04 0.10 4.88 4.57 -0.87 0.15 114.58 122.92 1ddr h GLU 101 Ca -0.03 -0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.87 1ddr h GLU 101 Cb 0.40 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 28.99 1ddr h GLU 101 CO 0.06 0.03 -1.17 1.96 -1.18 0.00 0.00 179.01 178.70 1ddr h GLN 102 N 0.04 0.44 0.07 1.92 4.20 -1.04 -3.36 115.11 117.38 1ddr h GLN 102 Ca 0.34 -0.60 -0.25 0.00 0.06 0.00 0.00 58.65 58.20 1ddr h GLN 102 Cb 0.56 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 1ddr h GLN 102 CO -0.66 1.25 -1.17 0.74 -0.67 0.00 0.00 178.83 178.33 1ddr h PHE 103 N 0.19 0.25 -0.86 2.96 0.04 -1.12 -3.40 116.94 115.00 1ddr h PHE 103 Ca -0.14 -0.18 0.18 0.00 2.80 0.00 0.00 57.97 60.62 1ddr h PHE 103 Cb 1.85 -0.01 -0.16 0.00 2.20 0.00 0.00 35.95 39.83 1ddr h PHE 103 CO 0.08 1.15 -0.21 -0.11 -0.60 0.00 0.00 178.31 178.63 1ddr n LEU 104 N -3.43 -0.30 0.30 1.54 7.94 0.51 0.41 117.00 123.97 1ddr n LEU 104 Ca -0.05 1.48 0.17 0.00 -1.11 0.00 0.00 56.01 56.51 1ddr n LEU 104 Cb 0.99 -0.45 0.92 0.00 0.53 0.00 0.00 43.42 45.41 1ddr n LEU 104 CO 0.50 -1.43 1.08 -0.65 -1.11 0.00 0.00 177.39 175.78 1ddr h PRO 105 N 0.00 0.00 -0.00 1.96 0.11 -1.82 -0.91 132.00 131.33 1ddr h PRO 105 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 1ddr h PRO 105 Cb 0.65 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.76 1ddr h PRO 105 CO -0.89 0.04 -0.57 1.63 -0.21 0.00 0.00 178.00 178.01 1ddr n LYS 106 N -3.37 0.15 -2.56 1.05 4.01 0.17 -4.92 118.16 112.68 1ddr n LYS 106 Ca -0.02 -0.10 -0.42 0.00 -0.51 0.00 0.00 58.31 57.26 1ddr n LYS 106 Cb 0.17 -1.50 -0.03 0.00 -0.51 0.00 0.00 35.03 33.16 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 -2.92 3.29 -1.17 7.82 0.00 -0.35 -4.38 121.76 124.06 1ddr s ALA 107 Ca 0.12 0.68 0.11 0.00 0.00 0.00 0.00 51.96 52.88 1ddr s ALA 107 Cb 0.17 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.92 1ddr s ALA 107 CO 0.71 -0.37 0.74 1.04 0.00 0.00 0.00 175.76 177.88 1ddr n GLN 108 N 4.01 1.57 -3.63 0.00 1.13 -0.70 -4.92 117.38 114.84 1ddr n GLN 108 Ca 0.08 -0.82 -0.16 0.00 -1.94 0.00 0.00 57.00 54.16 1ddr n GLN 108 Cb 0.48 -1.15 -0.07 0.00 0.11 0.00 0.00 30.24 29.61 1ddr n GLN 108 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1ddr s LYS 109 N -1.31 0.88 0.07 -1.09 2.20 -1.24 -2.06 119.74 117.19 1ddr s LYS 109 Ca 0.11 0.03 0.09 0.00 -0.36 0.00 0.00 55.97 55.84 1ddr s LYS 109 Cb 0.09 0.40 -0.03 0.00 -1.51 0.00 0.00 37.83 36.79 1ddr s LYS 109 CO 0.24 -0.26 -0.23 -0.51 -0.36 0.00 0.00 175.35 174.22 1ddr s LEU 110 N -1.28 2.23 -0.51 5.43 1.43 0.14 -2.53 118.68 123.59 1ddr s LEU 110 Ca -0.12 -0.62 0.07 0.00 -1.03 0.00 0.00 54.13 52.43 1ddr s LEU 110 Cb -0.02 -1.07 0.25 0.00 0.03 0.00 0.00 46.19 45.37 1ddr s LEU 110 CO 0.07 0.16 0.62 -1.22 0.23 0.00 0.00 176.35 176.21 1ddr n TYR 111 N 1.47 1.51 -3.00 0.29 4.02 -0.77 -0.58 117.16 120.10 1ddr n TYR 111 Ca -0.18 -3.84 -0.40 0.00 -0.01 0.00 0.00 57.90 53.47 1ddr n TYR 111 Cb 0.53 -0.43 -0.05 0.00 -0.02 0.00 0.00 39.34 39.37 1ddr n TYR 111 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1ddr s LEU 112 N -1.74 4.26 -0.24 7.72 1.43 0.14 -2.06 118.68 128.20 1ddr s LEU 112 Ca 0.37 1.16 -0.06 0.00 -1.03 0.00 0.00 54.13 54.57 1ddr s LEU 112 Cb 0.15 -3.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.24 1ddr s LEU 112 CO -0.07 -0.21 0.02 -0.89 0.23 0.00 0.00 176.35 175.43 1ddr s THR 113 N 1.29 3.88 -0.18 5.49 2.01 -0.61 0.40 115.64 127.92 1ddr s THR 113 Ca 0.37 -0.34 -0.11 0.00 0.31 0.00 0.00 61.69 61.92 1ddr s THR 113 Cb -0.17 -2.81 -0.05 0.00 0.01 0.00 0.00 72.50 69.48 1ddr s THR 113 CO 0.16 0.36 0.19 -1.00 -0.69 0.00 0.00 174.62 173.64 1ddr s HIS 114 N 1.55 3.45 -0.08 4.92 0.09 0.57 -1.32 115.29 124.48 1ddr s HIS 114 Ca 0.06 0.44 0.02 0.00 -0.00 0.00 0.00 55.06 55.58 1ddr s HIS 114 Cb -0.15 -2.20 0.02 0.00 -0.00 0.00 0.00 32.58 30.25 1ddr s HIS 114 CO 0.01 0.32 -0.12 0.42 -0.00 0.00 0.00 174.74 175.37 1ddr s ILE 115 N 0.23 1.16 -1.39 0.60 1.01 -0.90 -0.15 121.20 121.76 1ddr s ILE 115 Ca 0.12 -0.46 -0.14 0.00 0.00 0.00 0.00 60.65 60.17 1ddr s ILE 115 Cb -0.12 -1.08 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 1ddr s ILE 115 CO 0.01 0.37 2.32 -0.67 0.00 0.00 0.00 174.94 176.96 1ddr n ASP 116 N 4.10 4.61 -3.84 3.58 2.03 -0.98 -3.24 116.55 122.81 1ddr n ASP 116 Ca -0.20 -2.75 -0.30 0.00 0.52 0.00 0.00 54.79 52.05 1ddr n ASP 116 Cb 0.51 -1.56 -0.15 0.00 -0.72 0.00 0.00 41.12 39.20 1ddr n ASP 116 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ddr s ALA 117 N 3.25 1.87 -0.42 -1.67 0.00 -1.26 -4.71 121.76 118.81 1ddr s ALA 117 Ca 0.52 -1.69 -0.29 0.00 0.00 0.00 0.00 51.96 50.50 1ddr s ALA 117 Cb 0.15 -1.61 0.03 0.00 0.00 0.00 0.00 23.12 21.68 1ddr s ALA 117 CO -0.06 -1.52 1.12 -2.00 0.00 0.00 0.00 175.76 173.30 1ddr s GLU 118 N 1.44 3.84 0.14 0.00 -6.30 -1.26 -2.14 118.70 114.41 1ddr s GLU 118 Ca 0.05 0.73 -0.00 0.00 -2.50 0.00 0.00 54.97 53.26 1ddr s GLU 118 Cb -0.18 -3.85 -0.04 0.00 0.00 0.00 0.00 34.13 30.06 1ddr s GLU 118 CO -0.16 -1.22 0.03 0.14 0.02 0.00 0.00 175.26 174.08 1ddr s VAL 119 N 4.18 0.27 -0.38 3.70 -7.23 -1.26 -5.04 120.40 114.64 1ddr s VAL 119 Ca 0.47 -1.92 -0.22 0.00 -1.81 0.00 0.00 61.98 58.49 1ddr s VAL 119 Cb -0.09 -2.03 0.01 0.00 0.56 0.00 0.00 36.38 34.83 1ddr s VAL 119 CO 0.26 -0.50 0.75 -0.70 -0.31 0.00 0.00 175.10 174.60 1ddr s GLU 120 N -4.00 3.64 -0.20 4.82 2.12 -1.26 -4.97 118.70 118.85 1ddr s GLU 120 Ca 0.23 0.14 -0.21 0.00 0.36 0.00 0.00 54.97 55.48 1ddr s GLU 120 Cb 0.07 -3.84 -0.02 0.00 0.26 0.00 0.00 34.13 30.60 1ddr s GLU 120 CO 0.02 -0.89 0.66 0.20 -0.54 0.00 0.00 175.26 174.71 1ddr s GLY 121 N 1.90 2.03 -0.02 -1.50 0.00 -1.26 -4.83 107.32 103.64 1ddr s GLY 121 Ca 0.29 -0.24 -0.22 0.00 0.00 0.00 0.00 44.72 44.56 1ddr s GLY 121 CO 0.18 1.39 1.03 -1.80 0.00 0.00 0.00 173.10 173.89 1ddr h ASP 122 N 7.50 0.44 -3.96 1.64 3.58 -1.47 -3.46 116.42 120.69 1ddr h ASP 122 Ca -0.30 -0.82 -0.63 0.00 0.42 0.00 0.00 57.03 55.70 1ddr h ASP 122 Cb 1.14 -0.14 -0.22 0.00 1.72 0.00 0.00 39.33 41.84 1ddr h ASP 122 CO 0.79 1.20 -0.85 -0.89 -2.88 0.00 0.00 179.24 176.61 1ddr s THR 123 N -2.98 2.03 0.08 2.25 2.01 -0.47 -5.01 115.64 113.54 1ddr s THR 123 Ca -0.14 -1.70 0.02 0.00 0.31 0.00 0.00 61.69 60.18 1ddr s THR 123 Cb 0.02 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 1ddr s THR 123 CO 0.80 0.00 -0.06 -1.00 -0.69 0.00 0.00 174.62 173.67 1ddr s HIS 124 N -1.18 0.79 0.08 4.92 3.76 -1.26 -1.91 115.29 120.49 1ddr s HIS 124 Ca 0.11 -0.82 -0.30 0.00 -0.15 0.00 0.00 55.06 53.91 1ddr s HIS 124 Cb -0.10 -0.47 -0.05 0.00 1.11 0.00 0.00 32.58 33.07 1ddr s HIS 124 CO 0.06 -0.15 0.96 0.12 -0.85 0.00 0.00 174.74 174.87 1ddr s PHE 125 N -3.07 3.77 0.12 1.40 5.36 0.14 -4.73 117.98 120.98 1ddr s PHE 125 Ca 0.06 1.77 -0.35 0.00 -0.96 0.00 0.00 56.93 57.44 1ddr s PHE 125 Cb 0.02 -3.06 -0.16 0.00 -0.34 0.00 0.00 43.02 39.47 1ddr s PHE 125 CO -0.04 0.16 1.31 -2.30 -1.46 0.00 0.00 175.22 172.89 1ddr n PRO 126 N 3.05 1.25 -1.55 10.12 -0.02 -1.26 -4.74 135.00 141.84 1ddr n PRO 126 Ca 0.03 0.45 -0.41 0.00 -2.02 0.00 0.00 63.50 61.55 1ddr n PRO 126 Cb 0.50 -2.06 -0.05 0.00 -0.02 0.00 0.00 33.50 31.87 1ddr n PRO 126 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1ddr n ASP 127 N 2.45 2.43 -4.56 2.55 -0.08 -1.26 -4.91 116.55 113.17 1ddr n ASP 127 Ca 0.17 -0.10 -0.43 0.00 -1.51 0.00 0.00 54.79 52.92 1ddr n ASP 127 Cb 0.21 -1.48 -0.05 0.00 2.34 0.00 0.00 41.12 42.14 1ddr n ASP 127 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 1ddr s TYR 128 N 10.06 3.03 -0.06 -0.67 -0.85 -1.26 -5.02 117.35 122.58 1ddr s TYR 128 Ca 1.04 0.32 -0.36 0.00 -0.52 0.00 0.00 57.07 57.54 1ddr s TYR 128 Cb -0.41 -3.59 -0.14 0.00 0.38 0.00 0.00 41.96 38.21 1ddr s TYR 128 CO 0.34 -0.90 1.69 -0.85 -1.52 0.00 0.00 175.55 174.31 1ddr n GLU 129 N 6.64 1.71 0.00 -3.49 -0.00 -1.26 -4.86 120.64 119.37 1ddr n GLU 129 Ca 0.03 0.62 0.02 0.00 -0.00 0.00 0.00 57.16 57.83 1ddr n GLU 129 Cb 0.48 -2.37 0.14 0.00 -0.00 0.00 0.00 31.44 29.68 1ddr n GLU 129 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 1ddr n PRO 130 N 4.96 0.31 -0.24 3.44 -0.04 -1.26 -1.97 135.00 140.19 1ddr n PRO 130 Ca 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1ddr n PRO 130 Cb 0.23 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1ddr n PRO 130 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ddr n ASP 131 N -0.73 0.00 -0.25 3.54 8.00 -1.26 -4.73 116.55 121.12 1ddr n ASP 131 Ca 0.03 -1.36 0.06 0.00 0.71 0.00 0.00 54.79 54.23 1ddr n ASP 131 Cb 0.02 -0.07 -0.01 0.00 -0.02 0.00 0.00 41.12 41.03 1ddr n ASP 131 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1ddr n ASP 132 N 0.00 1.30 -4.06 -2.24 8.00 -0.83 -4.86 116.55 113.86 1ddr n ASP 132 Ca 0.00 -1.15 -0.15 0.00 0.71 0.00 0.00 54.79 54.20 1ddr n ASP 132 Cb 0.57 0.53 -0.12 0.00 -0.02 0.00 0.00 41.12 42.08 1ddr n ASP 132 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1ddr s TRP 133 N -1.67 0.74 -0.04 1.24 0.52 -1.22 0.67 118.94 119.18 1ddr s TRP 133 Ca 0.10 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 55.84 1ddr s TRP 133 Cb 0.10 -0.44 -0.03 0.00 -1.15 0.00 0.00 33.47 31.95 1ddr s TRP 133 CO 0.34 -0.04 -0.09 -2.00 0.02 0.00 0.00 176.95 175.18 1ddr s GLU 134 N -1.25 2.63 -0.22 4.98 2.12 0.21 -4.85 118.70 122.32 1ddr s GLU 134 Ca -0.06 -0.63 -0.18 0.00 0.36 0.00 0.00 54.97 54.46 1ddr s GLU 134 Cb -0.08 -2.52 -0.03 0.00 0.26 0.00 0.00 34.13 31.76 1ddr s GLU 134 CO 0.01 0.64 0.51 -1.12 -0.54 0.00 0.00 175.26 174.75 1ddr s SER 135 N -0.95 6.52 0.00 -1.70 0.01 -1.26 -0.73 113.70 115.58 1ddr s SER 135 Ca 0.13 0.62 0.10 0.00 1.31 0.00 0.00 55.95 58.12 1ddr s SER 135 Cb -0.11 -2.28 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 1ddr s SER 135 CO 0.03 -0.20 0.59 1.33 0.41 0.00 0.00 173.24 175.40 1ddr n VAL 136 N 4.68 0.00 -3.56 3.43 0.24 -1.10 -5.00 118.33 117.02 1ddr n VAL 136 Ca -0.05 -0.36 -0.15 0.00 -2.04 0.00 0.00 64.34 61.75 1ddr n VAL 136 Cb 0.50 1.09 -0.06 0.00 -1.47 0.00 0.00 33.84 33.91 1ddr n VAL 136 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1ddr s PHE 137 N -1.55 -0.59 -0.28 6.34 5.36 -1.23 -5.01 117.98 121.02 1ddr s PHE 137 Ca 0.07 1.11 -0.20 0.00 -0.96 0.00 0.00 56.93 56.95 1ddr s PHE 137 Cb 0.08 0.40 0.11 0.00 -0.34 0.00 0.00 43.02 43.27 1ddr s PHE 137 CO 0.31 -0.48 0.90 -1.54 -1.46 0.00 0.00 175.22 172.94 1ddr s SER 138 N -0.85 -0.61 -0.07 6.13 1.04 -1.26 -2.99 113.70 115.09 1ddr s SER 138 Ca -0.06 1.07 -0.03 0.00 0.48 0.00 0.00 55.95 57.41 1ddr s SER 138 Cb -0.01 1.17 0.04 0.00 0.10 0.00 0.00 66.02 67.32 1ddr s SER 138 CO 0.05 -0.18 0.13 -0.70 0.98 0.00 0.00 173.24 173.53 1ddr s GLU 139 N 0.89 0.03 -0.08 4.02 2.12 -0.02 -4.98 118.70 120.68 1ddr s GLU 139 Ca -0.04 0.45 -0.04 0.00 0.36 0.00 0.00 54.97 55.70 1ddr s GLU 139 Cb -0.05 -0.27 -0.04 0.00 0.26 0.00 0.00 34.13 34.04 1ddr s GLU 139 CO -0.11 -0.25 0.10 0.12 -0.54 0.00 0.00 175.26 174.58 1ddr s PHE 140 N 1.81 3.44 0.01 5.30 5.36 -1.26 -0.89 117.98 131.76 1ddr s PHE 140 Ca -0.02 0.38 0.01 0.00 -0.96 0.00 0.00 56.93 56.34 1ddr s PHE 140 Cb -0.12 -1.86 -0.01 0.00 -0.34 0.00 0.00 43.02 40.69 1ddr s PHE 140 CO -0.05 0.63 -0.03 -1.01 -1.46 0.00 0.00 175.22 173.30 1ddr s HIS 141 N -1.06 0.28 0.38 10.12 3.76 0.89 -4.99 115.29 124.68 1ddr s HIS 141 Ca 0.17 -0.30 0.02 0.00 -0.15 0.00 0.00 55.06 54.80 1ddr s HIS 141 Cb -0.12 -0.19 -0.02 0.00 1.11 0.00 0.00 32.58 33.37 1ddr s HIS 141 CO 0.07 -0.09 0.58 -0.51 -0.85 0.00 0.00 174.74 173.94 1ddr s ASP 142 N -0.84 6.05 0.29 1.40 1.01 -1.26 -0.87 116.67 122.44 1ddr s ASP 142 Ca -0.07 0.27 -0.29 0.00 0.71 0.00 0.00 52.55 53.16 1ddr s ASP 142 Cb -0.06 -1.69 -0.10 0.00 1.01 0.00 0.00 42.92 42.08 1ddr s ASP 142 CO -0.00 -0.48 1.27 0.00 0.21 0.00 0.00 175.17 176.17 1ddr s ALA 143 N -2.38 3.49 0.39 5.23 0.00 -1.24 -4.79 121.76 122.45 1ddr s ALA 143 Ca 0.44 1.15 0.05 0.00 0.00 0.00 0.00 51.96 53.59 1ddr s ALA 143 Cb -0.10 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 1ddr s ALA 143 CO 0.36 -0.52 0.17 0.16 0.00 0.00 0.00 175.76 175.93 1ddr s ASP 144 N -0.35 2.52 0.22 0.00 1.47 -1.05 -4.97 116.67 114.52 1ddr s ASP 144 Ca 0.50 -1.70 0.11 0.00 1.18 0.00 0.00 52.55 52.64 1ddr s ASP 144 Cb -0.37 0.54 0.76 0.00 -0.34 0.00 0.00 42.92 43.50 1ddr s ASP 144 CO 0.47 -0.97 0.96 0.00 0.68 0.00 0.00 175.17 176.30 1ddr n ALA 145 N -0.85 0.57 0.63 2.11 0.00 -1.26 -1.06 120.51 120.65 1ddr n ALA 145 Ca -0.03 0.62 0.08 0.00 0.00 0.00 0.00 53.44 54.12 1ddr n ALA 145 Cb 0.64 -0.60 -0.10 0.00 0.00 0.00 0.00 19.45 19.39 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 -4.44 1.22 -4.77 0.00 6.02 -1.26 -4.96 117.38 109.19 1ddr n GLN 146 Ca 0.22 -0.03 -0.33 0.00 -0.01 0.00 0.00 57.00 56.85 1ddr n GLN 146 Cb 0.73 -1.32 -0.16 0.00 1.02 0.00 0.00 30.24 30.51 1ddr n GLN 146 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1ddr s ASN 147 N -2.90 3.31 0.40 1.08 0.01 -0.23 -4.30 114.94 112.31 1ddr s ASN 147 Ca 0.04 -0.54 0.21 0.00 -0.71 0.00 0.00 52.86 51.86 1ddr s ASN 147 Cb 0.12 -1.48 0.69 0.00 0.41 0.00 0.00 41.25 40.99 1ddr s ASN 147 CO 0.70 0.11 1.73 0.77 -1.51 0.00 0.00 177.10 178.89 1ddr h SER 148 N 7.13 0.00 -3.51 -1.22 4.64 -1.35 -2.77 113.55 116.46 1ddr h SER 148 Ca -0.29 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.61 1ddr h SER 148 Cb 1.20 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.15 1ddr h SER 148 CO 0.54 0.30 -0.66 -1.00 -0.87 0.00 0.00 176.83 175.14 1ddr s HIS 149 N -3.49 1.72 0.34 4.77 3.76 -1.26 -4.87 115.29 116.26 1ddr s HIS 149 Ca 0.01 -0.86 -0.19 0.00 -0.15 0.00 0.00 55.06 53.88 1ddr s HIS 149 Cb 0.10 -1.01 -0.10 0.00 1.11 0.00 0.00 32.58 32.68 1ddr s HIS 149 CO 0.67 0.06 0.83 -1.12 -0.85 0.00 0.00 174.74 174.33 1ddr s SER 150 N -3.37 6.94 0.09 1.40 0.01 -1.26 -3.70 113.70 113.82 1ddr s SER 150 Ca 0.30 1.51 -0.09 0.00 1.31 0.00 0.00 55.95 58.97 1ddr s SER 150 Cb 0.05 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1ddr s SER 150 CO 0.10 -0.21 0.21 -0.72 0.41 0.00 0.00 173.24 173.04 1ddr s TYR 151 N -1.94 0.12 -0.16 2.43 1.13 -0.05 -2.31 117.35 116.56 1ddr s TYR 151 Ca 0.55 -0.53 -0.04 0.00 -1.41 0.00 0.00 57.07 55.64 1ddr s TYR 151 Cb -0.12 -0.03 0.05 0.00 -1.10 0.00 0.00 41.96 40.77 1ddr s TYR 151 CO 0.17 -0.55 0.07 0.00 -2.51 0.00 0.00 175.55 172.72 1ddr s PHE 153 N 2.06 3.65 -0.22 0.00 0.08 -0.07 -0.31 117.98 123.17 1ddr s PHE 153 Ca 0.02 1.69 -0.15 0.00 0.12 0.00 0.00 56.93 58.61 1ddr s PHE 153 Cb -0.16 -3.23 0.06 0.00 -0.57 0.00 0.00 43.02 39.13 1ddr s PHE 153 CO -0.08 -0.40 0.55 -2.00 -0.10 0.00 0.00 175.22 173.19 1ddr s GLU 154 N -0.83 0.58 -0.05 0.44 2.12 0.16 -0.84 118.70 120.28 1ddr s GLU 154 Ca 0.46 0.93 0.05 0.00 0.36 0.00 0.00 54.97 56.78 1ddr s GLU 154 Cb -0.30 0.14 -0.02 0.00 0.26 0.00 0.00 34.13 34.21 1ddr s GLU 154 CO 0.36 -0.13 -0.20 0.42 -0.54 0.00 0.00 175.26 175.17 1ddr s ILE 155 N 1.15 2.53 0.15 -3.70 1.01 -1.16 0.27 121.20 121.45 1ddr s ILE 155 Ca -0.07 -0.91 0.08 0.00 0.00 0.00 0.00 60.65 59.75 1ddr s ILE 155 Cb -0.06 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 1ddr s ILE 155 CO -0.11 0.58 -0.19 -0.76 0.00 0.00 0.00 174.94 174.46 1ddr s LEU 156 N -0.50 2.41 -0.04 2.97 1.43 0.25 -2.72 118.68 122.48 1ddr s LEU 156 Ca 0.06 -0.82 0.03 0.00 -1.03 0.00 0.00 54.13 52.37 1ddr s LEU 156 Cb -0.11 -0.83 0.01 0.00 0.03 0.00 0.00 46.19 45.28 1ddr s LEU 156 CO 0.01 -0.02 -0.11 -1.61 0.23 0.00 0.00 176.35 174.85 1ddr s GLU 157 N -2.59 1.31 0.30 1.70 2.02 0.09 0.25 118.70 121.78 1ddr s GLU 157 Ca 0.13 -0.37 -0.30 0.00 0.02 0.00 0.00 54.97 54.45 1ddr s GLU 157 Cb -0.07 -1.16 -0.12 0.00 0.10 0.00 0.00 34.13 32.88 1ddr s GLU 157 CO 0.06 0.09 1.48 0.54 0.02 0.00 0.00 175.26 177.45 1ddr n ARG 158 N 3.49 2.44 0.00 1.61 1.74 -0.88 0.64 116.66 125.70 1ddr n ARG 158 Ca -0.20 0.86 0.14 0.00 -0.77 0.00 0.00 57.85 57.88 1ddr n ARG 158 Cb 0.53 -2.57 0.59 0.00 -1.02 0.00 0.00 32.46 29.98 1ddr n ARG 158 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65