#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1urx h ASP 22 N 0.00 0.29 -0.19 1.08 3.45 -1.96 -1.62 116.42 117.46 1urx h ASP 22 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1urx h ASP 22 Cb 0.00 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 38.71 1urx h ASP 22 CO 0.00 0.18 0.00 -2.67 -1.57 0.00 0.00 179.24 175.18 1urx n TRP 23 N -4.47 0.25 -1.64 4.55 2.14 -1.26 -4.94 117.44 112.07 1urx n TRP 23 Ca 0.07 -0.13 -0.53 0.00 2.07 0.00 0.00 57.50 58.98 1urx n TRP 23 Cb 0.31 0.00 -0.06 0.00 -0.81 0.00 0.00 31.31 30.75 1urx n TRP 23 CO 0.00 0.00 0.00 -1.71 2.07 0.00 0.00 177.69 178.05 1urx n ASN 24 N 0.29 2.11 0.00 -0.67 4.05 -0.61 -1.25 115.26 119.18 1urx n ASN 24 Ca 0.15 1.09 0.00 0.00 0.45 0.00 0.00 54.58 56.27 1urx n ASN 24 Cb 0.30 -1.20 0.00 0.00 1.23 0.00 0.00 39.78 40.11 1urx n ASN 24 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1urx n GLY 25 N 3.26 1.44 3.59 8.20 0.00 -1.26 -5.02 105.19 115.41 1urx n GLY 25 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1urx n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1urx s ILE 26 N -3.19 4.89 0.68 -0.61 1.01 -0.38 -5.04 121.20 118.56 1urx s ILE 26 Ca 0.00 0.86 -0.16 0.00 0.00 0.00 0.00 60.65 61.35 1urx s ILE 26 Cb 0.00 -4.05 0.01 0.00 0.01 0.00 0.00 42.46 38.43 1urx s ILE 26 CO 0.00 -0.21 1.21 -2.84 0.00 0.00 0.00 174.94 173.10 1urx s PRO 27 N 2.72 2.44 -0.10 2.79 0.02 -1.26 -4.98 135.00 136.64 1urx s PRO 27 Ca 0.27 1.80 -0.30 0.00 0.02 0.00 0.00 61.00 62.79 1urx s PRO 27 Cb -0.15 -1.87 -0.02 0.00 0.02 0.00 0.00 34.50 32.49 1urx s PRO 27 CO 0.13 -1.61 1.18 0.08 -0.33 0.00 0.00 177.00 176.44 1urx s VAL 28 N -1.83 4.36 -0.26 3.83 1.01 -1.26 -4.95 120.40 121.30 1urx s VAL 28 Ca 0.76 1.67 0.27 0.00 0.00 0.00 0.00 61.98 64.67 1urx s VAL 28 Cb -0.30 -4.07 0.36 0.00 0.00 0.00 0.00 36.38 32.36 1urx s VAL 28 CO 0.41 -0.04 1.74 1.55 0.00 0.00 0.00 175.10 178.76 1urx h PRO 29 N 7.56 0.00 -7.27 2.72 0.13 -1.93 -3.45 132.00 129.76 1urx h PRO 29 Ca -0.31 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.33 1urx h PRO 29 Cb 1.14 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.32 1urx h PRO 29 CO 0.90 0.00 0.39 0.00 -0.23 0.00 0.00 178.00 179.06 1urx s ALA 30 N -3.36 2.93 -0.34 -0.56 0.00 -1.26 -4.93 121.76 114.23 1urx s ALA 30 Ca 0.05 0.14 -0.19 0.00 0.00 0.00 0.00 51.96 51.96 1urx s ALA 30 Cb 0.07 -3.14 -0.00 0.00 0.00 0.00 0.00 23.12 20.04 1urx s ALA 30 CO 0.62 -0.66 0.56 1.21 0.00 0.00 0.00 175.76 177.49 1urx s ASN 31 N -3.44 6.37 0.00 0.00 3.84 -1.26 -4.94 114.94 115.51 1urx s ASN 31 Ca 0.59 0.10 0.28 0.00 0.21 0.00 0.00 52.86 54.03 1urx s ASN 31 Cb -0.12 -2.29 1.30 0.00 -0.55 0.00 0.00 41.25 39.59 1urx s ASN 31 CO 0.43 -0.50 1.93 -0.81 -2.79 0.00 0.00 177.10 175.36 1urx n PRO 32 N 5.84 0.19 0.00 0.43 -0.04 -1.26 -4.99 135.00 135.16 1urx n PRO 32 Ca -0.03 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1urx n PRO 32 Cb 0.49 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1urx n PRO 32 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1urx n GLY 33 N 1.25 2.90 3.76 0.55 0.00 -1.26 -4.74 105.19 107.66 1urx n GLY 33 Ca 0.10 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 1urx n GLY 33 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1urx s ASN 34 N 0.00 6.58 -1.79 1.61 0.02 -1.26 -2.38 114.94 117.72 1urx s ASN 34 Ca 0.00 2.81 0.00 0.00 -1.02 0.00 0.00 52.86 54.65 1urx s ASN 34 Cb 0.00 -2.65 0.00 0.00 0.02 0.00 0.00 41.25 38.62 1urx s ASN 34 CO 0.00 -0.71 0.00 0.61 0.02 0.00 0.00 177.10 177.02 1urx n GLY 35 N 1.20 1.02 3.37 0.66 0.00 -1.26 -5.00 105.19 105.19 1urx n GLY 35 Ca 0.03 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 1urx n GLY 35 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1urx s MET 36 N -4.01 1.40 0.31 1.61 -1.94 -1.00 -4.56 119.30 111.11 1urx s MET 36 Ca 0.00 -1.61 0.05 0.00 -1.71 0.00 0.00 55.69 52.42 1urx s MET 36 Cb 0.00 -1.29 -0.03 0.00 2.01 0.00 0.00 34.83 35.52 1urx s MET 36 CO 0.00 0.23 0.22 -0.08 -0.01 0.00 0.00 175.02 175.37 1urx s THR 37 N -2.76 0.13 -0.10 2.05 -1.32 0.13 -4.72 115.64 109.04 1urx s THR 37 Ca 0.23 -2.00 -0.05 0.00 -1.21 0.00 0.00 61.69 58.67 1urx s THR 37 Cb -0.02 -2.48 -0.04 0.00 -1.51 0.00 0.00 72.50 68.45 1urx s THR 37 CO 0.09 0.00 0.08 0.26 -2.21 0.00 0.00 174.62 172.83 1urx s TRP 38 N -3.56 3.40 -0.13 9.09 0.52 -1.26 -0.58 118.94 126.42 1urx s TRP 38 Ca 0.38 0.38 0.01 0.00 0.02 0.00 0.00 56.10 56.89 1urx s TRP 38 Cb 0.04 -1.87 0.02 0.00 -1.15 0.00 0.00 33.47 30.50 1urx s TRP 38 CO 0.22 0.62 -0.16 -1.14 0.02 0.00 0.00 176.95 176.50 1urx s GLN 39 N -0.96 2.42 0.31 4.98 0.74 -0.16 -4.95 119.66 122.04 1urx s GLN 39 Ca 0.14 -0.62 -0.30 0.00 0.05 0.00 0.00 55.36 54.63 1urx s GLN 39 Cb -0.12 -2.08 -0.11 0.00 1.10 0.00 0.00 33.01 31.80 1urx s GLN 39 CO 0.03 -0.12 1.57 -0.11 -0.55 0.00 0.00 175.29 176.12 1urx n LEU 40 N 4.38 4.48 -4.38 3.68 7.94 -1.26 -1.31 117.00 130.53 1urx n LEU 40 Ca -0.19 1.17 -0.45 0.00 -1.11 0.00 0.00 56.01 55.43 1urx n LEU 40 Cb 0.51 -1.60 -0.05 0.00 0.53 0.00 0.00 43.42 42.80 1urx n LEU 40 CO 0.24 0.16 0.35 -1.10 -1.11 0.00 0.00 177.39 175.93 1urx s GLN 41 N -0.89 3.05 0.34 1.96 -1.52 0.65 -4.88 119.66 118.37 1urx s GLN 41 Ca 0.61 -1.26 0.03 0.00 -1.95 0.00 0.00 55.36 52.79 1urx s GLN 41 Cb -0.49 -4.23 0.63 0.00 -0.22 0.00 0.00 33.01 28.71 1urx s GLN 41 CO 0.52 -1.43 1.97 -0.44 -0.25 0.00 0.00 175.29 175.66 1urx h ASP 42 N 9.10 0.76 0.10 5.90 3.32 -1.92 -2.98 116.42 130.69 1urx h ASP 42 Ca -0.29 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1urx h ASP 42 Cb 1.09 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.47 1urx h ASP 42 CO 1.05 0.52 -0.01 -0.46 -1.72 0.00 0.00 179.24 178.62 1urx n ASN 43 N -4.46 0.27 -0.20 6.45 0.23 -1.26 -2.76 115.26 113.53 1urx n ASN 43 Ca 0.10 -0.93 0.02 0.00 -0.53 0.00 0.00 54.58 53.24 1urx n ASN 43 Cb 0.14 -0.04 0.03 0.00 -2.08 0.00 0.00 39.78 37.84 1urx n ASN 43 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 1urx n VAL 44 N -0.86 0.62 -4.46 3.53 0.24 -1.14 -4.77 118.33 111.50 1urx n VAL 44 Ca 0.21 -0.71 -0.30 0.00 -2.04 0.00 0.00 64.34 61.50 1urx n VAL 44 Cb 0.18 0.43 -0.12 0.00 -1.47 0.00 0.00 33.84 32.86 1urx n VAL 44 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1urx s SER 45 N -1.23 3.90 -0.28 -1.34 0.01 -1.11 -4.52 113.70 109.12 1urx s SER 45 Ca 0.08 -0.48 -0.16 0.00 1.31 0.00 0.00 55.95 56.70 1urx s SER 45 Cb 0.07 -0.60 0.10 0.00 0.21 0.00 0.00 66.02 65.79 1urx s SER 45 CO 0.01 0.21 0.76 -0.62 0.41 0.00 0.00 173.24 174.01 1urx s ASP 46 N -1.82 -0.85 0.00 2.44 3.68 -0.31 -4.95 116.67 114.86 1urx s ASP 46 Ca 0.17 1.35 0.27 0.00 2.13 0.00 0.00 52.55 56.47 1urx s ASP 46 Cb -0.11 1.36 0.91 0.00 -1.45 0.00 0.00 42.92 43.64 1urx s ASP 46 CO 0.08 -0.21 1.68 -1.20 0.13 0.00 0.00 175.17 175.65 1urx n SER 47 N 4.20 0.41 -2.30 -0.34 7.64 -1.26 -1.10 113.62 120.87 1urx n SER 47 Ca -0.20 -0.20 -0.18 0.00 1.01 0.00 0.00 58.87 59.31 1urx n SER 47 Cb 0.58 -0.04 -0.02 0.00 -1.01 0.00 0.00 64.21 63.72 1urx n SER 47 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1urx n PHE 48 N -1.28 -1.01 -1.80 1.43 3.01 -1.26 -4.53 117.46 112.02 1urx n PHE 48 Ca 0.09 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.17 1urx n PHE 48 Cb 0.32 -3.54 -0.02 0.00 -0.01 0.00 0.00 39.48 36.24 1urx n PHE 48 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1urx n ASN 49 N -1.83 8.00 -3.62 4.37 3.02 -1.26 -3.22 115.26 120.72 1urx n ASN 49 Ca -0.21 -3.03 -0.11 0.00 -0.03 0.00 0.00 54.58 51.20 1urx n ASN 49 Cb 0.66 -1.39 -0.05 0.00 -0.61 0.00 0.00 39.78 38.39 1urx n ASN 49 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1urx s TYR 50 N -0.54 -0.23 -0.19 3.10 -0.85 -1.20 -4.81 117.35 112.64 1urx s TYR 50 Ca 0.58 -0.07 -0.09 0.00 -0.52 0.00 0.00 57.07 56.97 1urx s TYR 50 Cb 0.20 0.27 -0.05 0.00 0.38 0.00 0.00 41.96 42.77 1urx s TYR 50 CO -0.10 -0.70 0.10 0.99 -1.52 0.00 0.00 175.55 174.32 1urx s THR 51 N -3.72 5.15 0.15 -3.49 2.01 -1.26 -1.28 115.64 113.20 1urx s THR 51 Ca 0.02 0.10 -0.20 0.00 0.31 0.00 0.00 61.69 61.92 1urx s THR 51 Cb 0.02 -3.34 0.05 0.00 0.01 0.00 0.00 72.50 69.24 1urx s THR 51 CO -0.12 0.45 0.52 -0.94 -0.69 0.00 0.00 174.62 173.85 1urx s SER 52 N 0.33 -0.40 0.03 3.53 1.04 -0.62 -4.83 113.70 112.79 1urx s SER 52 Ca 0.06 -0.19 -0.27 0.00 0.48 0.00 0.00 55.95 56.03 1urx s SER 52 Cb -0.12 0.55 0.09 0.00 0.10 0.00 0.00 66.02 66.65 1urx s SER 52 CO -0.01 -0.95 1.23 -0.94 0.98 0.00 0.00 173.24 173.55 1urx s SER 53 N -2.79 -0.00 0.08 7.02 1.04 -0.65 -1.40 113.70 117.00 1urx s SER 53 Ca 0.03 -0.30 -0.36 0.00 0.48 0.00 0.00 55.95 55.80 1urx s SER 53 Cb -0.00 0.23 -0.15 0.00 0.10 0.00 0.00 66.02 66.20 1urx s SER 53 CO -0.11 -0.45 1.51 1.21 0.98 0.00 0.00 173.24 176.38 1urx n GLU 54 N -0.81 1.64 -0.98 4.02 2.13 -1.26 -0.54 120.64 124.83 1urx n GLU 54 Ca 0.01 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.42 1urx n GLU 54 Cb 0.59 -2.31 0.00 0.00 0.27 0.00 0.00 31.44 30.00 1urx n GLU 54 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1urx n GLY 55 N 3.15 0.83 2.46 8.31 0.00 -1.26 -4.87 105.19 113.81 1urx n GLY 55 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 1urx n GLY 55 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1urx n ASN 56 N -0.01 -0.92 -4.24 1.61 5.15 0.30 -5.08 115.26 112.06 1urx n ASN 56 Ca 0.00 -3.23 -0.40 0.00 -0.60 0.00 0.00 54.58 50.35 1urx n ASN 56 Cb 0.01 0.60 -0.09 0.00 -0.53 0.00 0.00 39.78 39.76 1urx n ASN 56 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1urx s ARG 57 N -0.83 2.54 0.76 1.20 0.52 -1.21 -1.63 118.95 120.29 1urx s ARG 57 Ca 0.32 -1.58 -0.12 0.00 -0.52 0.00 0.00 55.73 53.83 1urx s ARG 57 Cb 0.28 -3.82 0.05 0.00 0.52 0.00 0.00 34.95 31.97 1urx s ARG 57 CO -0.10 -1.04 1.14 -1.25 0.02 0.00 0.00 175.30 174.06 1urx s PRO 58 N 1.39 2.42 0.38 3.54 0.04 -1.26 -4.80 135.00 136.70 1urx s PRO 58 Ca 0.04 0.29 0.07 0.00 0.04 0.00 0.00 61.00 61.44 1urx s PRO 58 Cb -0.24 -1.99 0.80 0.00 0.04 0.00 0.00 34.50 33.11 1urx s PRO 58 CO 0.01 -1.31 1.97 1.15 0.04 0.00 0.00 177.00 178.86 1urx h THR 59 N -0.85 1.01 -0.34 1.26 2.02 -1.98 -0.42 112.91 113.60 1urx h THR 59 Ca -0.45 -0.23 0.10 0.00 0.77 0.00 0.00 66.41 66.59 1urx h THR 59 Cb 1.29 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1urx h THR 59 CO 0.65 0.12 0.25 0.00 0.37 0.00 0.00 175.52 176.91 1urx h ALA 60 N 1.63 2.31 0.00 6.16 0.00 -2.00 -1.42 119.26 125.94 1urx h ALA 60 Ca 0.29 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.99 1urx h ALA 60 Cb 0.28 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1urx h ALA 60 CO -0.09 -0.42 -1.28 0.34 0.00 0.00 0.00 179.25 177.79 1urx n PHE 61 N -4.42 0.75 0.41 0.00 7.35 -0.77 -4.62 117.46 116.16 1urx n PHE 61 Ca 0.05 0.32 0.13 0.00 -0.76 0.00 0.00 57.45 57.20 1urx n PHE 61 Cb 0.43 -0.96 0.49 0.00 0.35 0.00 0.00 39.48 39.78 1urx n PHE 61 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 1urx h THR 62 N -1.00 0.00 0.00 -2.13 1.35 -0.87 0.13 112.91 110.39 1urx h THR 62 Ca -0.30 -0.42 -0.06 0.00 -0.55 0.00 0.00 66.41 65.08 1urx h THR 62 Cb 1.14 1.29 -0.01 0.00 -1.73 0.00 0.00 68.15 68.85 1urx h THR 62 CO -0.18 0.00 -0.29 0.77 -0.25 0.00 0.00 175.52 175.56 1urx h SER 63 N 0.00 0.00 0.00 5.36 4.64 -1.51 -3.37 113.55 118.67 1urx h SER 63 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1urx h SER 63 Cb 0.54 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1urx h SER 63 CO 0.00 0.29 -1.13 0.29 -0.87 0.00 0.00 176.83 175.41 1urx n LYS 64 N -3.54 2.92 -4.10 4.77 5.02 -0.56 -4.85 118.16 117.82 1urx n LYS 64 Ca -0.00 -0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.16 1urx n LYS 64 Cb 0.44 -1.05 -0.11 0.00 -0.02 0.00 0.00 35.03 34.29 1urx n LYS 64 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1urx s TRP 65 N -2.07 0.76 0.04 2.13 0.52 -0.07 -0.95 118.94 119.30 1urx s TRP 65 Ca -0.01 -0.63 0.06 0.00 0.02 0.00 0.00 56.10 55.55 1urx s TRP 65 Cb 0.01 -0.45 -0.02 0.00 -1.15 0.00 0.00 33.47 31.86 1urx s TRP 65 CO 0.08 -0.10 -0.18 -1.59 0.02 0.00 0.00 176.95 175.19 1urx s LYS 66 N -2.29 1.18 -0.28 4.98 -2.85 -0.61 -4.32 119.74 115.56 1urx s LYS 66 Ca -0.03 -0.84 -0.04 0.00 -1.00 0.00 0.00 55.97 54.06 1urx s LYS 66 Cb -0.05 -1.24 -0.04 0.00 -2.06 0.00 0.00 37.83 34.44 1urx s LYS 66 CO -0.01 0.31 2.97 -0.35 0.10 0.00 0.00 175.35 178.38 1urx n PRO 67 N 1.91 2.17 -3.86 1.78 -0.04 -1.26 -1.25 135.00 134.44 1urx n PRO 67 Ca -0.17 -1.75 -0.09 0.00 -0.04 0.00 0.00 63.50 61.44 1urx n PRO 67 Cb 0.54 -2.01 -0.05 0.00 -0.04 0.00 0.00 33.50 31.93 1urx n PRO 67 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1urx s SER 68 N 0.95 -0.11 1.08 3.54 1.04 -1.16 -3.93 113.70 115.11 1urx s SER 68 Ca 0.57 -0.70 -0.14 0.00 0.48 0.00 0.00 55.95 56.16 1urx s SER 68 Cb 0.34 0.52 0.23 0.00 0.10 0.00 0.00 66.02 67.21 1urx s SER 68 CO -0.12 -1.00 1.09 -0.47 0.98 0.00 0.00 173.24 173.72 1urx s TYR 69 N -3.93 1.60 -0.53 5.02 5.04 -1.26 -3.43 117.35 119.86 1urx s TYR 69 Ca 0.14 0.86 0.24 0.00 -2.44 0.00 0.00 57.07 55.87 1urx s TYR 69 Cb 0.01 -3.29 0.95 0.00 0.35 0.00 0.00 41.96 39.98 1urx s TYR 69 CO -0.00 -3.29 1.72 0.44 -1.34 0.00 0.00 175.55 173.08 1urx n ILE 70 N -4.43 0.78 -3.15 3.14 -5.35 -1.26 -4.83 119.36 104.26 1urx n ILE 70 Ca 0.07 0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.68 1urx n ILE 70 Cb 0.58 -1.06 0.00 0.00 -1.74 0.00 0.00 39.64 37.42 1urx n ILE 70 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1urx n ASN 71 N -2.24 0.00 0.00 7.28 0.23 -1.26 -5.06 115.26 114.21 1urx n ASN 71 Ca 0.03 -0.63 0.08 0.00 -0.53 0.00 0.00 54.58 53.52 1urx n ASN 71 Cb 0.27 0.00 0.36 0.00 -2.08 0.00 0.00 39.78 38.33 1urx n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1urx n GLY 72 N 0.00 -1.00 3.77 4.83 0.00 -1.26 -4.86 105.19 106.67 1urx n GLY 72 Ca 0.00 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1urx n GLY 72 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1urx s TRP 73 N -2.90 2.61 -2.17 1.61 -0.00 -1.26 -4.92 118.94 111.92 1urx s TRP 73 Ca 0.10 1.06 0.21 0.00 -0.00 0.00 0.00 56.10 57.47 1urx s TRP 73 Cb 0.11 -4.05 0.44 0.00 -0.00 0.00 0.00 33.47 29.97 1urx s TRP 73 CO 0.28 -3.18 1.39 0.25 -0.00 0.00 0.00 176.95 175.69 1urx n THR 74 N 0.88 0.62 0.00 5.86 -2.24 -1.26 -4.77 114.28 113.37 1urx n THR 74 Ca 0.03 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 1urx n THR 74 Cb 0.39 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 1urx n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1urx n GLY 75 N 1.40 2.28 3.88 3.38 0.00 -1.26 -0.69 105.19 114.17 1urx n GLY 75 Ca 0.19 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 43.84 1urx n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1urx s PRO 76 N -2.21 3.79 7.68 1.61 0.04 -1.26 -4.70 135.00 139.94 1urx s PRO 76 Ca 0.00 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.46 1urx s PRO 76 Cb 0.00 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 32.10 1urx s PRO 76 CO 0.00 0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.48 1urx n GLY 77 N -1.10 3.44 1.56 0.56 0.00 -1.26 -1.63 105.19 106.74 1urx n GLY 77 Ca 0.02 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.15 1urx n GLY 77 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1urx n SER 78 N 9.40 4.92 -4.77 1.61 7.64 -0.65 -4.92 113.62 126.83 1urx n SER 78 Ca 0.00 -2.68 -0.39 0.00 1.01 0.00 0.00 58.87 56.81 1urx n SER 78 Cb 0.00 -0.60 -0.06 0.00 -1.01 0.00 0.00 64.21 62.54 1urx n SER 78 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1urx s THR 79 N -2.28 4.27 -0.33 0.44 2.01 -0.65 -1.76 115.64 117.35 1urx s THR 79 Ca 0.50 1.79 -0.01 0.00 0.31 0.00 0.00 61.69 64.28 1urx s THR 79 Cb 0.35 -4.14 0.11 0.00 0.01 0.00 0.00 72.50 68.83 1urx s THR 79 CO 0.19 0.41 0.14 -0.63 -0.69 0.00 0.00 174.62 174.04 1urx s ILE 80 N -1.29 0.71 0.35 1.82 1.01 -0.38 -4.47 121.20 118.95 1urx s ILE 80 Ca 0.41 -1.51 -0.28 0.00 0.00 0.00 0.00 60.65 59.26 1urx s ILE 80 Cb -0.22 -1.53 -0.12 0.00 0.01 0.00 0.00 42.46 40.60 1urx s ILE 80 CO 0.27 -0.76 1.45 0.49 0.00 0.00 0.00 174.94 176.39 1urx n PHE 81 N 4.61 2.78 -3.66 3.97 3.72 0.14 -0.63 117.46 128.39 1urx n PHE 81 Ca 0.01 0.44 -0.07 0.00 -0.05 0.00 0.00 57.45 57.79 1urx n PHE 81 Cb 0.40 -2.51 -0.08 0.00 -0.94 0.00 0.00 39.48 36.35 1urx n PHE 81 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1urx s ASN 82 N -0.07 -0.68 0.28 4.37 2.47 -0.68 -4.79 114.94 115.84 1urx s ASN 82 Ca 0.56 1.23 -0.02 0.00 0.42 0.00 0.00 52.86 55.05 1urx s ASN 82 Cb -0.51 1.51 0.44 0.00 -1.45 0.00 0.00 41.25 41.24 1urx s ASN 82 CO 0.61 -0.22 1.90 0.00 -3.72 0.00 0.00 177.10 175.67 1urx h ALA 83 N 7.71 1.43 -0.02 1.71 0.00 -1.87 -2.48 119.26 125.73 1urx h ALA 83 Ca -0.23 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1urx h ALA 83 Cb 1.14 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1urx h ALA 83 CO 0.16 0.44 0.04 -1.35 0.00 0.00 0.00 179.25 178.54 1urx h PRO 84 N 1.15 0.00 -0.14 0.00 0.11 -1.96 -2.57 132.00 128.59 1urx h PRO 84 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1urx h PRO 84 Cb 0.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1urx h PRO 84 CO -0.15 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 178.68 1urx n GLN 85 N -3.39 1.45 -4.27 1.05 3.00 -0.94 -4.56 117.38 109.71 1urx n GLN 85 Ca -0.02 -0.68 -0.34 0.00 -0.01 0.00 0.00 57.00 55.94 1urx n GLN 85 Cb 0.12 -1.27 -0.12 0.00 0.00 0.00 0.00 30.24 28.97 1urx n GLN 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1urx s ALA 86 N -1.81 3.00 0.24 -1.58 0.00 -0.97 -1.00 121.76 119.63 1urx s ALA 86 Ca 0.23 -0.89 -0.22 0.00 0.00 0.00 0.00 51.96 51.08 1urx s ALA 86 Cb 0.12 -1.63 0.04 0.00 0.00 0.00 0.00 23.12 21.64 1urx s ALA 86 CO 0.18 0.07 0.72 1.67 0.00 0.00 0.00 175.76 178.39 1urx s TRP 87 N 0.62 -0.27 0.11 0.00 1.48 -0.88 -4.62 118.94 115.38 1urx s TRP 87 Ca -0.02 -0.11 0.06 0.00 -1.06 0.00 0.00 56.10 54.97 1urx s TRP 87 Cb -0.14 0.67 -0.04 0.00 -1.16 0.00 0.00 33.47 32.80 1urx s TRP 87 CO 0.02 -1.10 -0.15 0.95 -4.06 0.00 0.00 176.95 172.62 1urx s THR 88 N -3.81 1.31 -0.15 0.66 -4.23 -0.49 -0.34 115.64 108.58 1urx s THR 88 Ca 0.09 -1.61 0.15 0.00 -1.18 0.00 0.00 61.69 59.14 1urx s THR 88 Cb -0.04 -1.42 0.28 0.00 1.34 0.00 0.00 72.50 72.65 1urx s THR 88 CO 0.02 -0.34 1.17 -0.46 -0.54 0.00 0.00 174.62 174.47 1urx n ASN 89 N 0.75 2.58 0.00 3.99 6.94 -0.73 -1.58 115.26 127.21 1urx n ASN 89 Ca -0.17 -2.83 0.00 0.00 -0.02 0.00 0.00 54.58 51.56 1urx n ASN 89 Cb 0.56 -0.36 0.00 0.00 -2.36 0.00 0.00 39.78 37.62 1urx n ASN 89 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1urx n GLY 90 N -1.02 2.08 0.00 4.83 0.00 -0.40 -4.76 105.19 105.92 1urx n GLY 90 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1urx n GLY 90 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1urx n SER 91 N 0.00 0.00 -4.05 1.61 3.41 -1.20 -3.22 113.62 110.18 1urx n SER 91 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 1urx n SER 91 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1urx n SER 91 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1urx s GLN 92 N -0.64 0.49 0.04 4.33 -0.21 -1.20 -4.37 119.66 118.09 1urx s GLN 92 Ca 0.00 -0.84 -0.29 0.00 0.02 0.00 0.00 55.36 54.25 1urx s GLN 92 Cb 0.00 -0.04 -0.04 0.00 1.00 0.00 0.00 33.01 33.93 1urx s GLN 92 CO 0.00 -0.02 0.91 -1.17 -2.12 0.00 0.00 175.29 172.89 1urx s LEU 93 N -1.93 4.42 -0.28 2.90 2.96 -0.11 -1.77 118.68 124.87 1urx s LEU 93 Ca -0.07 1.62 -0.09 0.00 -0.22 0.00 0.00 54.13 55.37 1urx s LEU 93 Cb -0.05 -3.47 -0.03 0.00 0.50 0.00 0.00 46.19 43.13 1urx s LEU 93 CO -0.02 -0.14 0.14 0.00 -1.32 0.00 0.00 176.35 175.00 1urx s ALA 94 N 0.50 3.35 -0.44 5.97 0.00 0.54 -0.97 121.76 130.72 1urx s ALA 94 Ca 0.47 -1.17 -0.12 0.00 0.00 0.00 0.00 51.96 51.15 1urx s ALA 94 Cb -0.21 -2.32 0.07 0.00 0.00 0.00 0.00 23.12 20.66 1urx s ALA 94 CO 0.27 -0.60 0.31 0.42 0.00 0.00 0.00 175.76 176.16 1urx s ILE 95 N 1.68 4.63 0.15 0.00 -1.09 -0.33 -2.08 121.20 124.17 1urx s ILE 95 Ca 0.06 -1.24 0.06 0.00 -2.23 0.00 0.00 60.65 57.31 1urx s ILE 95 Cb -0.16 -3.79 -0.04 0.00 -1.58 0.00 0.00 42.46 36.89 1urx s ILE 95 CO 0.07 -0.52 0.02 -1.58 -1.23 0.00 0.00 174.94 171.71 1urx s GLN 96 N 1.51 2.51 0.15 2.79 0.74 -0.17 -0.42 119.66 126.77 1urx s GLN 96 Ca 0.03 -1.01 0.08 0.00 0.05 0.00 0.00 55.36 54.51 1urx s GLN 96 Cb -0.23 -2.44 -0.04 0.00 1.10 0.00 0.00 33.01 31.39 1urx s GLN 96 CO 0.04 0.48 -0.06 0.00 -0.55 0.00 0.00 175.29 175.20 1urx s ALA 97 N -1.63 3.07 0.05 1.58 0.00 -0.22 -0.70 121.76 123.91 1urx s ALA 97 Ca 0.27 -1.35 -0.02 0.00 0.00 0.00 0.00 51.96 50.86 1urx s ALA 97 Cb -0.10 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 1urx s ALA 97 CO 0.19 0.53 0.00 -0.65 0.00 0.00 0.00 175.76 175.84 1urx s GLN 98 N -2.67 0.63 0.25 0.00 -1.52 -0.34 -4.80 119.66 111.21 1urx s GLN 98 Ca 0.25 -1.16 -0.30 0.00 -1.95 0.00 0.00 55.36 52.20 1urx s GLN 98 Cb -0.10 0.23 -0.10 0.00 -0.22 0.00 0.00 33.01 32.82 1urx s GLN 98 CO 0.16 -0.13 1.40 -2.14 -0.25 0.00 0.00 175.29 174.33 1urx s PRO 99 N -3.82 4.30 0.00 2.91 0.02 -1.26 -0.89 135.00 136.27 1urx s PRO 99 Ca 0.06 2.25 0.06 0.00 0.02 0.00 0.00 61.00 63.39 1urx s PRO 99 Cb 0.07 -3.12 0.03 0.00 0.02 0.00 0.00 34.50 31.51 1urx s PRO 99 CO -0.10 -0.35 0.64 0.00 -0.33 0.00 0.00 177.00 176.85 1urx n ALA 100 N 2.12 2.52 -0.26 -1.55 0.00 -0.58 -4.57 120.51 118.19 1urx n ALA 100 Ca 0.05 -0.50 0.03 0.00 0.00 0.00 0.00 53.44 53.03 1urx n ALA 100 Cb 0.41 -0.21 -0.01 0.00 0.00 0.00 0.00 19.45 19.63 1urx n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1urx n GLY 101 N 0.46 -2.16 2.90 0.00 0.00 -1.24 -4.84 105.19 100.32 1urx n GLY 101 Ca 0.03 -1.42 -0.21 0.00 0.00 0.00 0.00 46.02 44.42 1urx n GLY 101 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1urx n ASN 102 N -2.78 -5.40 -0.02 1.61 4.13 -1.26 -1.47 115.26 110.08 1urx n ASN 102 Ca -0.01 -0.20 -0.00 0.00 1.68 0.00 0.00 54.58 56.05 1urx n ASN 102 Cb 0.12 -4.42 -0.00 0.00 -1.54 0.00 0.00 39.78 33.94 1urx n ASN 102 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1urx n GLY 103 N -1.28 0.37 3.76 7.41 0.00 -1.26 -5.01 105.19 109.17 1urx n GLY 103 Ca -0.12 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 1urx n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1urx s LYS 104 N -0.66 2.25 0.18 1.61 1.02 -0.54 -4.83 119.74 118.75 1urx s LYS 104 Ca 0.00 -1.86 0.08 0.00 0.02 0.00 0.00 55.97 54.21 1urx s LYS 104 Cb 0.00 -2.00 -0.04 0.00 -0.52 0.00 0.00 37.83 35.27 1urx s LYS 104 CO 0.00 -0.17 -0.17 -1.54 -0.92 0.00 0.00 175.35 172.55 1urx s SER 105 N -3.95 2.67 0.06 2.83 1.04 -0.72 -1.53 113.70 114.10 1urx s SER 105 Ca 0.39 -0.90 -0.15 0.00 0.48 0.00 0.00 55.95 55.78 1urx s SER 105 Cb 0.03 -0.15 -0.06 0.00 0.10 0.00 0.00 66.02 65.93 1urx s SER 105 CO 0.22 -0.06 0.46 -0.31 0.98 0.00 0.00 173.24 174.53 1urx s TYR 106 N -2.26 3.70 -0.03 5.02 4.12 -0.07 -1.25 117.35 126.58 1urx s TYR 106 Ca 0.17 1.03 0.00 0.00 0.02 0.00 0.00 57.07 58.29 1urx s TYR 106 Cb -0.05 -2.32 0.03 0.00 -1.52 0.00 0.00 41.96 38.10 1urx s TYR 106 CO 0.07 0.57 0.01 -0.80 0.02 0.00 0.00 175.55 175.42 1urx s ASN 107 N -1.32 0.46 0.52 2.29 -0.87 0.20 -1.20 114.94 115.01 1urx s ASN 107 Ca 0.29 -0.01 -0.19 0.00 -1.57 0.00 0.00 52.86 51.38 1urx s ASN 107 Cb -0.16 -0.20 -0.07 0.00 -0.02 0.00 0.00 41.25 40.79 1urx s ASN 107 CO 0.16 -0.12 1.05 -0.83 -2.57 0.00 0.00 177.10 174.80 1urx s GLY 108 N 1.12 2.40 -0.27 0.66 0.00 0.12 -1.69 107.32 109.66 1urx s GLY 108 Ca -0.08 0.55 -0.24 0.00 0.00 0.00 0.00 44.72 44.95 1urx s GLY 108 CO -0.02 0.87 0.79 -1.50 0.00 0.00 0.00 173.10 173.24 1urx s ILE 109 N -2.11 0.00 0.14 0.90 2.07 -1.26 -2.35 121.20 118.59 1urx s ILE 109 Ca 0.66 0.00 0.09 0.00 -1.41 0.00 0.00 60.65 59.99 1urx s ILE 109 Cb -0.17 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.38 1urx s ILE 109 CO 0.25 0.00 -0.20 0.27 -1.91 0.00 0.00 174.94 173.35 1urx s ILE 110 N 0.43 1.88 0.07 2.00 -4.36 -0.21 -2.97 121.20 118.04 1urx s ILE 110 Ca 0.00 -1.79 0.04 0.00 -0.26 0.00 0.00 60.65 58.64 1urx s ILE 110 Cb -0.05 -1.79 -0.03 0.00 1.25 0.00 0.00 42.46 41.84 1urx s ILE 110 CO -0.02 -0.18 -0.12 0.42 0.24 0.00 0.00 174.94 175.29 1urx s THR 111 N -1.63 0.92 0.37 8.37 -4.23 -0.38 -1.65 115.64 117.39 1urx s THR 111 Ca 0.13 -1.30 -0.26 0.00 -1.18 0.00 0.00 61.69 59.08 1urx s THR 111 Cb -0.08 -0.99 -0.09 0.00 1.34 0.00 0.00 72.50 72.69 1urx s THR 111 CO 0.06 -0.33 1.12 -0.94 -0.54 0.00 0.00 174.62 174.00 1urx s SER 112 N -1.82 6.79 0.09 3.99 1.04 -0.05 -1.58 113.70 122.17 1urx s SER 112 Ca -0.03 2.25 0.26 0.00 0.48 0.00 0.00 55.95 58.91 1urx s SER 112 Cb -0.09 -2.61 0.66 0.00 0.10 0.00 0.00 66.02 64.08 1urx s SER 112 CO 0.01 -0.48 1.56 0.29 0.98 0.00 0.00 173.24 175.60 1urx n LYS 113 N 0.36 0.16 -4.54 4.02 5.02 -0.12 -4.75 118.16 118.30 1urx n LYS 113 Ca 0.03 0.07 -0.30 0.00 -2.02 0.00 0.00 58.31 56.09 1urx n LYS 113 Cb 0.47 -1.63 -0.13 0.00 -0.02 0.00 0.00 35.03 33.72 1urx n LYS 113 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1urx s ASN 114 N -3.75 3.62 0.42 4.39 0.01 -1.26 -5.07 114.94 113.30 1urx s ASN 114 Ca 0.10 -0.56 -0.08 0.00 -0.71 0.00 0.00 52.86 51.61 1urx s ASN 114 Cb 0.15 -0.46 -0.05 0.00 0.41 0.00 0.00 41.25 41.30 1urx s ASN 114 CO 0.65 0.22 0.76 -0.54 -1.51 0.00 0.00 177.10 176.68 1urx s LYS 115 N -1.74 3.70 0.24 -0.60 -0.14 -1.26 -4.61 119.74 115.33 1urx s LYS 115 Ca 0.15 0.36 0.06 0.00 -1.36 0.00 0.00 55.97 55.17 1urx s LYS 115 Cb -0.10 -2.40 -0.05 0.00 -1.68 0.00 0.00 37.83 33.59 1urx s LYS 115 CO 0.06 -0.07 -0.06 0.96 -0.76 0.00 0.00 175.35 175.48 1urx s ILE 116 N -2.47 1.46 -0.07 2.17 -4.36 -0.36 -4.91 121.20 112.67 1urx s ILE 116 Ca 0.50 -2.11 -0.21 0.00 -0.26 0.00 0.00 60.65 58.56 1urx s ILE 116 Cb -0.10 -2.30 0.05 0.00 1.25 0.00 0.00 42.46 41.35 1urx s ILE 116 CO 0.35 -0.39 0.49 -1.58 0.24 0.00 0.00 174.94 174.05 1urx s GLN 117 N -3.75 0.79 0.62 0.37 0.74 -1.26 -1.02 119.66 116.15 1urx s GLN 117 Ca 0.27 0.20 -0.18 0.00 0.05 0.00 0.00 55.36 55.70 1urx s GLN 117 Cb 0.03 0.37 -0.06 0.00 1.10 0.00 0.00 33.01 34.45 1urx s GLN 117 CO 0.09 -0.21 0.63 2.48 -0.55 0.00 0.00 175.29 177.74 1urx n TYR 118 N 1.52 -0.34 -2.71 1.67 4.11 -1.26 -4.17 117.16 115.98 1urx n TYR 118 Ca -0.19 0.42 -0.41 0.00 -0.00 0.00 0.00 57.90 57.73 1urx n TYR 118 Cb 0.56 -1.99 -0.05 0.00 -0.00 0.00 0.00 39.34 37.86 1urx n TYR 118 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 1urx s PRO 119 N -2.43 4.76 -0.25 -3.48 0.04 -1.26 -4.99 135.00 127.40 1urx s PRO 119 Ca 0.70 1.50 -0.19 0.00 0.04 0.00 0.00 61.00 63.05 1urx s PRO 119 Cb -0.41 -3.32 0.07 0.00 0.04 0.00 0.00 34.50 30.88 1urx s PRO 119 CO 0.53 0.34 0.64 0.54 0.04 0.00 0.00 177.00 179.10 1urx s VAL 120 N -0.60 -0.00 -0.17 -0.36 0.11 -0.57 -4.56 120.40 114.25 1urx s VAL 120 Ca 0.44 0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 59.45 1urx s VAL 120 Cb -0.25 -0.91 -0.03 0.00 -1.53 0.00 0.00 36.38 33.66 1urx s VAL 120 CO 0.32 0.00 -0.00 -0.47 -3.33 0.00 0.00 175.10 171.61 1urx s TYR 121 N 0.88 3.08 -0.02 1.54 5.04 0.02 -1.00 117.35 126.90 1urx s TYR 121 Ca -0.04 -0.26 0.02 0.00 -2.44 0.00 0.00 57.07 54.35 1urx s TYR 121 Cb -0.05 -2.02 0.00 0.00 0.35 0.00 0.00 41.96 40.24 1urx s TYR 121 CO -0.07 -0.05 -0.08 0.00 -1.34 0.00 0.00 175.55 174.00 1urx s MET 122 N 0.55 0.81 -0.17 4.97 0.23 -0.49 -0.69 119.30 124.51 1urx s MET 122 Ca -0.01 -0.28 -0.15 0.00 -1.03 0.00 0.00 55.69 54.21 1urx s MET 122 Cb -0.14 -0.78 0.04 0.00 -1.53 0.00 0.00 34.83 32.43 1urx s MET 122 CO 0.02 0.13 0.45 -2.00 -2.03 0.00 0.00 175.02 171.59 1urx s GLU 123 N 0.07 0.52 0.19 3.16 2.12 -0.33 -1.04 118.70 123.40 1urx s GLU 123 Ca -0.01 0.64 0.11 0.00 0.36 0.00 0.00 54.97 56.07 1urx s GLU 123 Cb -0.07 0.25 -0.04 0.00 0.26 0.00 0.00 34.13 34.53 1urx s GLU 123 CO 0.00 -0.07 -0.22 0.96 -0.54 0.00 0.00 175.26 175.39 1urx s ILE 124 N 0.30 2.19 -0.25 -3.70 -4.36 -0.60 -0.72 121.20 114.06 1urx s ILE 124 Ca -0.00 -2.02 -0.07 0.00 -0.26 0.00 0.00 60.65 58.30 1urx s ILE 124 Cb -0.03 -2.04 -0.02 0.00 1.25 0.00 0.00 42.46 41.61 1urx s ILE 124 CO -0.00 -0.19 0.07 -0.75 0.24 0.00 0.00 174.94 174.30 1urx s LYS 125 N -2.75 3.60 0.10 0.37 2.20 -0.82 -0.94 119.74 121.51 1urx s LYS 125 Ca 0.20 -0.51 -0.16 0.00 -0.36 0.00 0.00 55.97 55.14 1urx s LYS 125 Cb -0.07 -3.32 0.03 0.00 -1.51 0.00 0.00 37.83 32.96 1urx s LYS 125 CO 0.09 -0.21 0.38 0.00 -0.36 0.00 0.00 175.35 175.25 1urx s ALA 126 N 1.60 -0.87 -0.18 3.13 0.00 -0.19 -0.90 121.76 124.36 1urx s ALA 126 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 51.96 52.00 1urx s ALA 126 Cb -0.15 0.57 0.04 0.00 0.00 0.00 0.00 23.12 23.58 1urx s ALA 126 CO 0.03 -0.57 -0.06 0.21 0.00 0.00 0.00 175.76 175.37 1urx s LYS 127 N -3.42 1.49 0.70 0.00 2.20 0.11 -1.43 119.74 119.39 1urx s LYS 127 Ca 0.01 -0.60 -0.13 0.00 -0.36 0.00 0.00 55.97 54.89 1urx s LYS 127 Cb 0.01 -2.12 0.02 0.00 -1.51 0.00 0.00 37.83 34.24 1urx s LYS 127 CO -0.09 -0.46 1.10 0.96 -0.36 0.00 0.00 175.35 176.50 1urx s ILE 128 N 1.59 3.37 0.67 5.43 -4.36 -1.26 -2.01 121.20 124.62 1urx s ILE 128 Ca -0.00 0.54 -0.16 0.00 -0.26 0.00 0.00 60.65 60.78 1urx s ILE 128 Cb -0.16 -3.07 0.00 0.00 1.25 0.00 0.00 42.46 40.49 1urx s ILE 128 CO -0.08 -0.48 1.15 -0.04 0.24 0.00 0.00 174.94 175.73 1urx s MET 129 N -4.48 2.65 -1.31 0.37 -1.94 -1.26 -4.60 119.30 108.73 1urx s MET 129 Ca 0.64 1.56 -0.11 0.00 -1.71 0.00 0.00 55.69 56.07 1urx s MET 129 Cb -0.18 -1.92 0.14 0.00 2.01 0.00 0.00 34.83 34.88 1urx s MET 129 CO 0.48 -1.40 1.88 -3.47 -0.01 0.00 0.00 175.02 172.50 1urx n ASP 130 N -2.35 4.85 -4.14 3.03 2.03 -1.19 -3.62 116.55 115.17 1urx n ASP 130 Ca 0.12 -3.03 -0.10 0.00 0.52 0.00 0.00 54.79 52.30 1urx n ASP 130 Cb 0.51 -1.54 -0.10 0.00 -0.72 0.00 0.00 41.12 39.27 1urx n ASP 130 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1urx s GLN 131 N 1.31 0.96 0.10 -0.67 -1.52 -1.26 -4.70 119.66 113.89 1urx s GLN 131 Ca 0.42 -1.44 0.26 0.00 -1.95 0.00 0.00 55.36 52.65 1urx s GLN 131 Cb 0.09 0.25 0.98 0.00 -0.22 0.00 0.00 33.01 34.11 1urx s GLN 131 CO -0.01 -0.28 1.80 1.33 -0.25 0.00 0.00 175.29 177.88 1urx n VAL 132 N -0.12 0.42 -1.74 1.09 0.24 -1.26 -0.80 118.33 116.17 1urx n VAL 132 Ca -0.05 -0.05 -0.39 0.00 -2.04 0.00 0.00 64.34 61.80 1urx n VAL 132 Cb 0.64 -0.66 0.03 0.00 -1.47 0.00 0.00 33.84 32.38 1urx n VAL 132 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1urx n LEU 133 N -1.86 5.05 -4.77 1.34 4.77 -1.26 -4.82 117.00 115.45 1urx n LEU 133 Ca 0.06 1.04 -0.39 0.00 -0.03 0.00 0.00 56.01 56.69 1urx n LEU 133 Cb 0.34 -1.56 -0.01 0.00 -2.33 0.00 0.00 43.42 39.86 1urx n LEU 133 CO 0.26 -0.51 0.89 0.00 -1.33 0.00 0.00 177.39 176.71 1urx s ALA 134 N -1.25 3.16 -0.10 -1.18 0.00 0.05 -4.27 121.76 118.17 1urx s ALA 134 Ca 0.66 1.08 0.02 0.00 0.00 0.00 0.00 51.96 53.72 1urx s ALA 134 Cb -0.44 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.26 1urx s ALA 134 CO 0.53 -0.69 -0.14 -0.80 0.00 0.00 0.00 175.76 174.66 1urx s ASN 135 N -0.99 2.33 0.04 0.00 0.01 -0.06 -1.33 114.94 114.94 1urx s ASN 135 Ca 0.58 -0.40 0.00 0.00 -0.71 0.00 0.00 52.86 52.33 1urx s ASN 135 Cb -0.34 -1.04 -0.03 0.00 0.41 0.00 0.00 41.25 40.26 1urx s ASN 135 CO 0.43 0.01 -0.04 0.00 -1.51 0.00 0.00 177.10 175.99 1urx s ALA 136 N 1.00 0.36 -0.16 0.60 0.00 -0.59 -0.96 121.76 122.01 1urx s ALA 136 Ca -0.07 -0.85 -0.00 0.00 0.00 0.00 0.00 51.96 51.04 1urx s ALA 136 Cb -0.15 0.17 0.04 0.00 0.00 0.00 0.00 23.12 23.18 1urx s ALA 136 CO -0.01 -0.20 -0.07 0.12 0.00 0.00 0.00 175.76 175.59 1urx s PHE 137 N -2.31 1.82 0.22 0.00 5.36 -0.74 -1.65 117.98 120.68 1urx s PHE 137 Ca -0.07 -1.11 -0.18 0.00 -0.96 0.00 0.00 56.93 54.61 1urx s PHE 137 Cb -0.04 -1.38 0.03 0.00 -0.34 0.00 0.00 43.02 41.29 1urx s PHE 137 CO -0.04 -0.62 0.57 1.67 -1.46 0.00 0.00 175.22 175.34 1urx s TRP 138 N 1.60 -0.11 0.22 10.12 1.48 -0.23 -1.01 118.94 131.01 1urx s TRP 138 Ca 0.02 -0.25 0.10 0.00 -1.06 0.00 0.00 56.10 54.90 1urx s TRP 138 Cb -0.15 0.45 -0.04 0.00 -1.16 0.00 0.00 33.47 32.57 1urx s TRP 138 CO -0.08 -0.99 -0.08 0.95 -4.06 0.00 0.00 176.95 172.69 1urx s THR 139 N -3.89 3.16 -0.24 0.66 -4.23 0.36 -0.29 115.64 111.17 1urx s THR 139 Ca 0.11 -1.86 -0.14 0.00 -1.18 0.00 0.00 61.69 58.62 1urx s THR 139 Cb -0.02 -2.62 0.07 0.00 1.34 0.00 0.00 72.50 71.27 1urx s THR 139 CO -0.00 -0.24 0.60 -0.22 -0.54 0.00 0.00 174.62 174.22 1urx s LEU 140 N -3.21 -0.68 0.69 4.79 2.96 -0.68 -2.87 118.68 119.69 1urx s LEU 140 Ca 0.28 1.32 -0.12 0.00 -0.22 0.00 0.00 54.13 55.38 1urx s LEU 140 Cb -0.07 2.05 0.01 0.00 0.50 0.00 0.00 46.19 48.68 1urx s LEU 140 CO 0.17 -0.22 1.08 0.42 -1.32 0.00 0.00 176.35 176.47 1urx s THR 141 N 1.60 3.66 0.37 3.68 -4.23 -0.96 -2.49 115.64 117.27 1urx s THR 141 Ca -0.10 0.62 0.10 0.00 -1.18 0.00 0.00 61.69 61.13 1urx s THR 141 Cb -0.06 -3.21 0.32 0.00 1.34 0.00 0.00 72.50 70.89 1urx s THR 141 CO -0.18 -0.63 1.89 0.44 -0.54 0.00 0.00 174.62 175.61 1urx h ASP 142 N -0.51 0.61 0.17 3.99 3.32 -1.94 -0.77 116.42 121.30 1urx h ASP 142 Ca -0.45 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1urx h ASP 142 Cb 1.22 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1urx h ASP 142 CO 0.55 0.33 -0.03 -0.90 -1.72 0.00 0.00 179.24 177.47 1urx n ASP 143 N -4.53 0.39 -1.34 6.45 5.68 -1.26 -4.91 116.55 117.02 1urx n ASP 143 Ca 0.16 -0.86 -0.16 0.00 -0.50 0.00 0.00 54.79 53.43 1urx n ASP 143 Cb 0.44 -0.06 -0.05 0.00 -1.14 0.00 0.00 41.12 40.31 1urx n ASP 143 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1urx n GLU 144 N -0.82 -1.14 0.03 0.11 1.02 -0.29 -4.89 120.64 114.66 1urx n GLU 144 Ca 0.19 1.00 0.11 0.00 -0.02 0.00 0.00 57.16 58.44 1urx n GLU 144 Cb 0.21 -5.21 -0.03 0.00 -0.02 0.00 0.00 31.44 26.39 1urx n GLU 144 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1urx n THR 145 N -2.86 0.21 -4.16 2.62 -2.24 -1.26 -4.68 114.28 101.92 1urx n THR 145 Ca -0.16 -0.35 -0.23 0.00 -2.27 0.00 0.00 64.05 61.03 1urx n THR 145 Cb 0.55 0.09 -0.17 0.00 -2.10 0.00 0.00 70.33 68.70 1urx n THR 145 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1urx s GLN 146 N -3.29 1.23 -0.00 -0.78 -0.21 -1.26 -1.09 119.66 114.25 1urx s GLN 146 Ca 0.00 -0.20 0.00 0.00 0.02 0.00 0.00 55.36 55.19 1urx s GLN 146 Cb 0.13 -1.22 0.00 0.00 1.00 0.00 0.00 33.01 32.93 1urx s GLN 146 CO 0.83 -0.13 -0.01 0.45 -2.12 0.00 0.00 175.29 174.31 1urx s SER 147 N 1.20 0.16 -0.14 5.90 0.15 -0.65 -2.26 113.70 118.06 1urx s SER 147 Ca -0.06 -0.02 -0.00 0.00 0.70 0.00 0.00 55.95 56.58 1urx s SER 147 Cb -0.14 -0.03 -0.01 0.00 -1.71 0.00 0.00 66.02 64.13 1urx s SER 147 CO -0.02 -0.00 -0.14 -0.63 1.20 0.00 0.00 173.24 173.65 1urx s ILE 148 N 0.11 2.91 -0.61 6.45 1.01 -1.14 -0.43 121.20 129.50 1urx s ILE 148 Ca -0.01 -0.70 -0.15 0.00 0.00 0.00 0.00 60.65 59.80 1urx s ILE 148 Cb -0.02 -2.23 0.15 0.00 0.01 0.00 0.00 42.46 40.38 1urx s ILE 148 CO -0.00 0.52 0.55 -1.81 0.00 0.00 0.00 174.94 174.20 1urx s ASP 149 N 0.54 6.28 0.19 3.58 1.01 0.12 -0.48 116.67 127.90 1urx s ASP 149 Ca -0.09 -2.06 -0.12 0.00 0.71 0.00 0.00 52.55 50.99 1urx s ASP 149 Cb -0.16 -2.18 0.11 0.00 1.01 0.00 0.00 42.92 41.70 1urx s ASP 149 CO 0.04 -0.76 1.85 0.40 0.21 0.00 0.00 175.17 176.91 1urx h ILE 150 N 5.61 1.17 -2.98 0.77 5.03 -1.31 -2.84 117.51 122.98 1urx h ILE 150 Ca -0.18 -0.34 -0.09 0.00 -0.12 0.00 0.00 64.86 64.13 1urx h ILE 150 Cb 1.08 0.25 -0.18 0.00 -3.03 0.00 0.00 36.82 34.94 1urx h ILE 150 CO 0.94 0.17 -0.15 0.00 -0.68 0.00 0.00 178.15 178.43 1urx s MET 151 N -6.09 0.84 -0.25 2.37 0.23 -1.04 -4.76 119.30 110.59 1urx s MET 151 Ca -0.13 -0.28 -0.02 0.00 -1.03 0.00 0.00 55.69 54.23 1urx s MET 151 Cb 0.14 0.38 0.14 0.00 -1.53 0.00 0.00 34.83 33.95 1urx s MET 151 CO 0.76 -0.27 0.39 -2.00 -2.03 0.00 0.00 175.02 171.87 1urx s GLU 152 N -2.04 0.36 0.24 3.16 2.12 -0.54 -1.80 118.70 120.20 1urx s GLU 152 Ca -0.08 0.47 0.11 0.00 0.36 0.00 0.00 54.97 55.83 1urx s GLU 152 Cb -0.02 -0.44 -0.05 0.00 0.26 0.00 0.00 34.13 33.89 1urx s GLU 152 CO 0.01 -0.70 -0.17 0.20 -0.54 0.00 0.00 175.26 174.05 1urx s GLY 153 N 2.55 1.78 -0.28 -1.50 0.00 -0.13 -1.19 107.32 108.55 1urx s GLY 153 Ca 0.12 -1.72 -0.03 0.00 0.00 0.00 0.00 44.72 43.09 1urx s GLY 153 CO -0.18 -1.78 0.11 -0.19 0.00 0.00 0.00 173.10 171.05 1urx s TYR 154 N -2.13 0.74 0.10 1.90 1.51 -1.26 -0.88 117.35 117.32 1urx s TYR 154 Ca 0.27 -1.06 -0.01 0.00 -1.01 0.00 0.00 57.07 55.26 1urx s TYR 154 Cb -0.07 -1.11 -0.23 0.00 -0.11 0.00 0.00 41.96 40.44 1urx s TYR 154 CO 0.14 -0.80 1.21 0.78 -1.11 0.00 0.00 175.55 175.77 1urx h GLY 155 N 8.31 0.23 -3.81 0.71 0.00 -1.54 -3.24 103.07 103.73 1urx h GLY 155 Ca -0.18 -0.56 -0.50 0.00 0.00 0.00 0.00 47.33 46.10 1urx h GLY 155 CO 0.43 0.49 0.34 -0.45 0.00 0.00 0.00 176.54 177.34 1urx s SER 156 N -7.02 7.62 0.58 0.19 0.15 0.02 -4.65 113.70 110.59 1urx s SER 156 Ca -0.03 1.91 0.38 0.00 0.70 0.00 0.00 55.95 58.92 1urx s SER 156 Cb 0.08 -2.60 1.97 0.00 -1.71 0.00 0.00 66.02 63.76 1urx s SER 156 CO 0.86 0.15 2.16 0.44 1.20 0.00 0.00 173.24 178.05 1urx h ASP 157 N 4.27 0.00 0.47 5.45 3.32 -1.90 -1.99 116.42 126.04 1urx h ASP 157 Ca -0.45 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.58 1urx h ASP 157 Cb 1.20 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 1urx h ASP 157 CO 0.68 0.00 -0.08 -0.09 -1.72 0.00 0.00 179.24 178.03 1urx h ARG 158 N 0.00 0.00 -0.05 3.56 2.43 -1.95 -1.63 114.38 116.74 1urx h ARG 158 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1urx h ARG 158 Cb 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1urx h ARG 158 CO 0.00 0.08 0.00 0.41 -1.51 0.00 0.00 179.97 178.95 1urx n GLY 159 N -0.56 -0.73 0.00 2.80 0.00 -0.75 -4.97 105.19 100.99 1urx n GLY 159 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1urx n GLY 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1urx n GLY 160 N 0.70 1.67 0.33 -0.02 0.00 -0.61 -4.67 105.19 102.59 1urx n GLY 160 Ca 0.07 -1.30 0.15 0.00 0.00 0.00 0.00 46.02 44.93 1urx n GLY 160 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1urx h THR 161 N 0.00 0.85 -0.66 2.61 1.35 -1.87 -1.20 112.91 114.00 1urx h THR 161 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.87 1urx h THR 161 Cb 0.00 0.86 -0.03 0.00 -1.73 0.00 0.00 68.15 67.24 1urx h THR 161 CO 0.00 0.00 0.43 -0.25 -0.25 0.00 0.00 175.52 175.45 1urx h TRP 162 N 0.00 0.82 -0.04 4.73 7.01 -1.94 -1.63 115.95 124.90 1urx h TRP 162 Ca 0.13 0.02 -0.13 0.00 2.11 0.00 0.00 58.89 61.03 1urx h TRP 162 Cb 0.54 -0.28 0.01 0.00 -2.10 0.00 0.00 29.16 27.33 1urx h TRP 162 CO 0.00 0.51 -0.47 0.74 -2.79 0.00 0.00 178.44 176.43 1urx h PHE 163 N 0.88 0.55 -0.25 2.65 -1.00 -1.65 -3.20 116.94 114.91 1urx h PHE 163 Ca 0.24 -0.27 0.07 0.00 2.81 0.00 0.00 57.97 60.83 1urx h PHE 163 Cb -0.09 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.39 1urx h PHE 163 CO -0.03 1.06 0.21 0.00 -1.61 0.00 0.00 178.31 177.94 1urx h ALA 164 N 0.37 2.07 -0.54 2.45 0.00 -1.06 -1.96 119.26 120.59 1urx h ALA 164 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1urx h ALA 164 Cb 1.16 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1urx h ALA 164 CO 0.09 -0.34 0.00 1.04 0.00 0.00 0.00 179.25 180.04 1urx n GLN 165 N -4.15 2.55 -4.20 0.00 6.02 -0.63 -2.46 117.38 114.52 1urx n GLN 165 Ca 0.03 -2.38 -0.18 0.00 -0.01 0.00 0.00 57.00 54.45 1urx n GLN 165 Cb 0.36 -1.53 -0.12 0.00 1.02 0.00 0.00 30.24 29.97 1urx n GLN 165 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1urx s ARG 166 N -1.28 0.81 -0.16 -1.09 0.52 -0.74 -3.87 118.95 113.14 1urx s ARG 166 Ca 0.43 -0.89 -0.02 0.00 -0.52 0.00 0.00 55.73 54.74 1urx s ARG 166 Cb 0.24 -0.81 -0.01 0.00 0.52 0.00 0.00 34.95 34.89 1urx s ARG 166 CO 0.32 0.18 -0.10 1.41 0.02 0.00 0.00 175.30 177.14 1urx s MET 167 N -1.58 3.42 -0.08 3.54 -2.45 -0.39 -4.59 119.30 117.18 1urx s MET 167 Ca -0.02 -0.65 -0.26 0.00 -1.25 0.00 0.00 55.69 53.52 1urx s MET 167 Cb -0.09 -2.77 -0.03 0.00 1.25 0.00 0.00 34.83 33.19 1urx s MET 167 CO 0.02 0.11 0.81 -1.58 1.05 0.00 0.00 175.02 175.43 1urx s HIS 168 N 0.65 3.56 -0.25 4.11 2.46 -0.34 -0.84 115.29 124.64 1urx s HIS 168 Ca -0.05 1.37 0.01 0.00 0.47 0.00 0.00 55.06 56.86 1urx s HIS 168 Cb -0.15 -2.94 0.06 0.00 -0.13 0.00 0.00 32.58 29.42 1urx s HIS 168 CO 0.03 -0.02 -0.05 -0.51 -2.47 0.00 0.00 174.74 171.71 1urx s LEU 169 N 1.21 2.83 0.00 8.88 1.43 0.12 -1.47 118.68 131.68 1urx s LEU 169 Ca 0.41 -1.29 -0.03 0.00 -1.03 0.00 0.00 54.13 52.19 1urx s LEU 169 Cb -0.18 -1.25 0.01 0.00 0.03 0.00 0.00 46.19 44.80 1urx s LEU 169 CO 0.19 -0.24 0.21 -0.24 0.23 0.00 0.00 176.35 176.50 1urx n SER 170 N 4.61 -0.61 -3.58 2.29 2.88 -1.07 -4.60 113.62 113.54 1urx n SER 170 Ca -0.11 -1.53 -0.10 0.00 -1.33 0.00 0.00 58.87 55.80 1urx n SER 170 Cb 0.43 1.05 -0.02 0.00 -0.75 0.00 0.00 64.21 64.92 1urx n SER 170 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1urx s HIS 171 N -5.97 -0.41 0.04 0.66 -3.43 -1.26 -0.70 115.29 104.22 1urx s HIS 171 Ca 0.06 0.11 0.03 0.00 -0.80 0.00 0.00 55.06 54.47 1urx s HIS 171 Cb -0.01 0.61 -0.02 0.00 -1.43 0.00 0.00 32.58 31.73 1urx s HIS 171 CO 0.05 -0.99 -0.10 -1.01 -2.00 0.00 0.00 174.74 170.68 1urx s HIS 172 N -3.81 0.91 -0.05 0.38 3.76 0.43 -4.16 115.29 112.75 1urx s HIS 172 Ca 0.05 -0.41 0.05 0.00 -0.15 0.00 0.00 55.06 54.60 1urx s HIS 172 Cb -0.03 -0.53 -0.01 0.00 1.11 0.00 0.00 32.58 33.12 1urx s HIS 172 CO -0.06 -0.01 -0.21 0.95 -0.85 0.00 0.00 174.74 174.56 1urx s THR 173 N -1.08 1.71 0.07 1.30 -4.23 -0.48 -1.64 115.64 111.28 1urx s THR 173 Ca -0.04 -0.88 0.07 0.00 -1.18 0.00 0.00 61.69 59.66 1urx s THR 173 Cb -0.09 -1.45 -0.03 0.00 1.34 0.00 0.00 72.50 72.27 1urx s THR 173 CO 0.01 0.48 -0.19 -0.36 -0.54 0.00 0.00 174.62 174.02 1urx s PHE 174 N -0.09 1.62 -0.19 3.99 0.40 -0.25 -1.39 117.98 122.08 1urx s PHE 174 Ca -0.03 -0.40 -0.09 0.00 -0.60 0.00 0.00 56.93 55.81 1urx s PHE 174 Cb -0.12 -0.93 -0.05 0.00 0.51 0.00 0.00 43.02 42.44 1urx s PHE 174 CO 0.03 0.13 0.11 0.42 0.70 0.00 0.00 175.22 176.60 1urx s ILE 175 N -1.03 5.23 0.10 0.64 1.01 -0.68 -4.68 121.20 121.80 1urx s ILE 175 Ca 0.05 0.12 -0.05 0.00 0.00 0.00 0.00 60.65 60.78 1urx s ILE 175 Cb -0.09 -3.37 -0.25 0.00 0.01 0.00 0.00 42.46 38.76 1urx s ILE 175 CO 0.03 0.46 1.20 0.03 0.00 0.00 0.00 174.94 176.66 1urx h ARG 176 N 6.50 0.33 -2.12 2.79 2.47 -1.91 -0.12 114.38 122.30 1urx h ARG 176 Ca -0.41 -0.47 -0.25 0.00 -1.26 0.00 0.00 59.98 57.59 1urx h ARG 176 Cb 1.16 0.16 -0.32 0.00 -1.65 0.00 0.00 29.97 29.32 1urx h ARG 176 CO 0.73 1.18 -0.57 1.21 0.56 0.00 0.00 179.97 183.07 1urx s ASN 177 N -7.14 1.01 0.47 7.04 2.47 -1.26 -2.35 114.94 115.17 1urx s ASN 177 Ca -0.05 -0.26 -0.20 0.00 0.42 0.00 0.00 52.86 52.77 1urx s ASN 177 Cb 0.08 0.73 -0.10 0.00 -1.45 0.00 0.00 41.25 40.51 1urx s ASN 177 CO 0.88 -0.34 0.98 -2.16 -3.72 0.00 0.00 177.10 172.74 1urx s PRO 178 N 2.43 4.03 0.07 0.43 0.04 -1.26 -5.07 135.00 135.67 1urx s PRO 178 Ca 0.10 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 62.00 1urx s PRO 178 Cb -0.15 -2.14 -0.10 0.00 0.04 0.00 0.00 34.50 32.15 1urx s PRO 178 CO -0.22 -0.21 1.92 0.12 0.04 0.00 0.00 177.00 178.65 1urx s PHE 179 N -2.21 1.63 -0.05 0.56 5.36 -0.99 -4.71 117.98 117.57 1urx s PHE 179 Ca 0.63 -0.29 -0.02 0.00 -0.96 0.00 0.00 56.93 56.29 1urx s PHE 179 Cb -0.11 -4.22 0.04 0.00 -0.34 0.00 0.00 43.02 38.38 1urx s PHE 179 CO 0.19 -5.32 0.09 0.99 -1.46 0.00 0.00 175.22 169.71 1urx s THR 180 N 3.76 -0.11 -0.21 0.12 2.01 -0.06 -4.99 115.64 116.16 1urx s THR 180 Ca 0.86 0.29 0.02 0.00 0.31 0.00 0.00 61.69 63.17 1urx s THR 180 Cb -0.44 -0.18 0.03 0.00 0.01 0.00 0.00 72.50 71.92 1urx s THR 180 CO 0.40 0.12 -0.17 -0.62 -0.69 0.00 0.00 174.62 173.66 1urx s ASP 181 N 1.65 3.55 -0.14 3.53 2.15 -1.26 -1.69 116.67 124.46 1urx s ASP 181 Ca -0.03 -0.89 -0.04 0.00 0.43 0.00 0.00 52.55 52.02 1urx s ASP 181 Cb -0.12 -1.49 -0.03 0.00 -0.30 0.00 0.00 42.92 40.97 1urx s ASP 181 CO -0.04 -0.07 0.01 -0.47 -0.17 0.00 0.00 175.17 174.43 1urx s TYR 182 N 1.24 3.15 0.05 -5.34 5.04 -0.49 -5.00 117.35 116.00 1urx s TYR 182 Ca 0.00 -0.01 0.01 0.00 -2.44 0.00 0.00 57.07 54.63 1urx s TYR 182 Cb -0.15 -1.94 -0.03 0.00 0.35 0.00 0.00 41.96 40.19 1urx s TYR 182 CO -0.10 0.20 -0.05 1.14 -1.34 0.00 0.00 175.55 175.40 1urx s GLN 183 N -0.07 0.57 0.44 4.97 -2.07 -1.26 -1.39 119.66 120.85 1urx s GLN 183 Ca 0.04 -0.98 -0.26 0.00 -1.82 0.00 0.00 55.36 52.34 1urx s GLN 183 Cb -0.13 -0.04 -0.09 0.00 -1.09 0.00 0.00 33.01 31.67 1urx s GLN 183 CO 0.02 -0.03 1.41 -1.25 -1.32 0.00 0.00 175.29 174.12 1urx s PRO 184 N -2.70 3.76 0.00 9.60 0.04 -1.26 -4.94 135.00 139.51 1urx s PRO 184 Ca -0.02 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.41 1urx s PRO 184 Cb -0.02 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.83 1urx s PRO 184 CO -0.04 -0.74 0.85 -1.33 0.04 0.00 0.00 177.00 175.77 1urx n MET 185 N -0.09 2.08 -1.24 4.56 2.81 -1.26 -4.92 117.12 119.06 1urx n MET 185 Ca 0.05 -1.20 -0.35 0.00 -1.81 0.00 0.00 57.70 54.39 1urx n MET 185 Cb 0.42 -0.88 0.11 0.00 -0.71 0.00 0.00 33.22 32.15 1urx n MET 185 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1urx n GLY 186 N -0.36 -0.18 0.31 3.03 0.00 -1.26 -4.89 105.19 101.84 1urx n GLY 186 Ca 0.00 -0.41 0.14 0.00 0.00 0.00 0.00 46.02 45.75 1urx n GLY 186 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1urx h ASP 187 N -0.57 0.00 0.31 1.61 3.32 -1.97 -1.43 116.42 117.69 1urx h ASP 187 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1urx h ASP 187 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1urx h ASP 187 CO 0.46 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.98 1urx n ALA 188 N -2.45 1.85 1.11 3.45 0.00 -1.26 -2.56 120.51 120.65 1urx n ALA 188 Ca 0.01 -0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.51 1urx n ALA 188 Cb 0.25 -1.25 0.65 0.00 0.00 0.00 0.00 19.45 19.10 1urx n ALA 188 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1urx n THR 189 N -1.30 0.04 -4.08 0.00 -2.24 -0.54 -4.52 114.28 101.64 1urx n THR 189 Ca 0.07 0.01 -0.32 0.00 -2.27 0.00 0.00 64.05 61.54 1urx n THR 189 Cb 0.13 -0.52 -0.15 0.00 -2.10 0.00 0.00 70.33 67.68 1urx n THR 189 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1urx s TRP 190 N -2.86 3.16 -0.22 4.78 0.52 -1.06 -0.70 118.94 122.56 1urx s TRP 190 Ca 0.18 -2.18 -0.14 0.00 0.02 0.00 0.00 56.10 53.98 1urx s TRP 190 Cb 0.19 -1.93 -0.04 0.00 -1.15 0.00 0.00 33.47 30.54 1urx s TRP 190 CO 0.50 -0.86 0.31 -0.47 0.02 0.00 0.00 176.95 176.44 1urx s TYR 191 N 1.14 3.35 -0.04 -1.98 5.04 -0.02 -4.84 117.35 120.00 1urx s TYR 191 Ca -0.06 0.47 -0.03 0.00 -2.44 0.00 0.00 57.07 55.01 1urx s TYR 191 Cb -0.19 -2.43 -0.04 0.00 0.35 0.00 0.00 41.96 39.65 1urx s TYR 191 CO -0.07 0.01 0.10 -0.47 -1.34 0.00 0.00 175.55 173.79 1urx s TYR 192 N 1.25 3.39 -0.46 4.97 6.04 -1.26 -1.26 117.35 130.03 1urx s TYR 192 Ca 0.15 0.31 0.07 0.00 0.04 0.00 0.00 57.07 57.64 1urx s TYR 192 Cb -0.14 -1.81 0.40 0.00 -1.04 0.00 0.00 41.96 39.37 1urx s TYR 192 CO 0.07 0.60 1.02 -1.71 -1.54 0.00 0.00 175.55 173.99 1urx n ASN 193 N 1.45 3.97 -0.28 4.32 4.05 -1.25 -4.94 115.26 122.58 1urx n ASN 193 Ca -0.15 -3.53 -0.04 0.00 0.45 0.00 0.00 54.58 51.31 1urx n ASN 193 Cb 0.53 -0.51 -0.02 0.00 1.23 0.00 0.00 39.78 41.02 1urx n ASN 193 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1urx n GLY 194 N -0.31 0.50 0.16 8.20 0.00 -1.26 -2.28 105.19 110.20 1urx n GLY 194 Ca 0.32 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1urx n GLY 194 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1urx n GLY 195 N -0.57 0.25 3.68 -0.02 0.00 -1.26 -5.06 105.19 102.21 1urx n GLY 195 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1urx n GLY 195 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1urx s THR 196 N -2.07 3.26 0.35 2.61 2.01 -0.97 -4.90 115.64 115.95 1urx s THR 196 Ca 0.00 0.62 -0.27 0.00 0.31 0.00 0.00 61.69 62.35 1urx s THR 196 Cb 0.00 -3.40 -0.09 0.00 0.01 0.00 0.00 72.50 69.02 1urx s THR 196 CO 0.00 -0.02 1.19 -2.16 -0.69 0.00 0.00 174.62 172.95 1urx s PRO 197 N 2.97 4.27 0.58 4.92 0.04 -1.26 -4.69 135.00 141.82 1urx s PRO 197 Ca 0.73 1.94 0.36 0.00 0.04 0.00 0.00 61.00 64.07 1urx s PRO 197 Cb -0.37 -2.90 1.62 0.00 0.04 0.00 0.00 34.50 32.89 1urx s PRO 197 CO 0.31 -0.16 2.08 -1.49 0.04 0.00 0.00 177.00 177.77 1urx h TRP 198 N 3.11 0.00 0.00 0.56 4.06 -1.81 -2.20 115.95 119.68 1urx h TRP 198 Ca -0.48 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.47 1urx h TRP 198 Cb 1.23 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.39 1urx h TRP 198 CO 0.56 0.00 0.00 2.89 -3.56 0.00 0.00 178.44 178.33 1urx n ARG 199 N -3.07 0.18 0.16 0.49 1.85 -1.26 -3.71 116.66 111.30 1urx n ARG 199 Ca -0.00 0.46 0.13 0.00 -1.00 0.00 0.00 57.85 57.43 1urx n ARG 199 Cb 0.25 -1.88 0.29 0.00 -1.05 0.00 0.00 32.46 30.07 1urx n ARG 199 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1urx h SER 200 N 0.00 0.00 -5.10 2.89 4.64 -1.72 -3.44 113.55 110.83 1urx h SER 200 Ca 0.00 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1urx h SER 200 Cb 0.30 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.27 1urx h SER 200 CO 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 175.94 1urx s ALA 201 N -3.15 -0.88 0.25 5.18 0.00 -1.24 -5.13 121.76 116.78 1urx s ALA 201 Ca 0.09 -0.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.55 1urx s ALA 201 Cb 0.09 0.81 -0.09 0.00 0.00 0.00 0.00 23.12 23.92 1urx s ALA 201 CO 0.63 -0.74 1.30 0.71 0.00 0.00 0.00 175.76 177.67 1urx s TYR 202 N -3.86 3.21 0.16 0.00 1.51 -1.26 -4.54 117.35 112.57 1urx s TYR 202 Ca 0.08 1.30 0.05 0.00 -1.01 0.00 0.00 57.07 57.48 1urx s TYR 202 Cb 0.00 -3.62 -0.04 0.00 -0.11 0.00 0.00 41.96 38.19 1urx s TYR 202 CO -0.06 -1.83 -0.10 -1.01 -1.11 0.00 0.00 175.55 171.44 1urx s HIS 203 N -0.35 1.34 -0.27 2.71 3.76 -0.52 -4.93 115.29 117.04 1urx s HIS 203 Ca 0.54 -0.75 -0.15 0.00 -0.15 0.00 0.00 55.06 54.55 1urx s HIS 203 Cb -0.37 -0.68 -0.04 0.00 1.11 0.00 0.00 32.58 32.60 1urx s HIS 203 CO 0.43 0.11 0.37 1.03 -0.85 0.00 0.00 174.74 175.83 1urx s ARG 204 N -3.74 4.01 -0.25 1.40 0.52 -1.26 -1.02 118.95 118.60 1urx s ARG 204 Ca 0.18 0.03 -0.01 0.00 -0.52 0.00 0.00 55.73 55.40 1urx s ARG 204 Cb 0.02 -3.66 0.03 0.00 0.52 0.00 0.00 34.95 31.87 1urx s ARG 204 CO 0.02 -0.28 -0.06 0.71 0.02 0.00 0.00 175.30 175.70 1urx s TYR 205 N 2.07 3.10 0.12 -0.53 1.51 -0.11 -0.46 117.35 123.04 1urx s TYR 205 Ca 0.15 -1.67 0.04 0.00 -1.01 0.00 0.00 57.07 54.58 1urx s TYR 205 Cb -0.16 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.60 1urx s TYR 205 CO 0.10 -0.76 -0.10 0.20 -1.11 0.00 0.00 175.55 173.89 1urx s GLY 206 N 1.29 0.92 -0.12 0.71 0.00 0.16 -1.56 107.32 108.72 1urx s GLY 206 Ca -0.01 -1.32 -0.07 0.00 0.00 0.00 0.00 44.72 43.31 1urx s GLY 206 CO -0.04 -1.41 0.30 0.00 0.00 0.00 0.00 173.10 171.94 1urx s TYR 208 N 1.01 3.17 -0.94 0.00 5.04 0.62 -1.40 117.35 124.86 1urx s TYR 208 Ca -0.07 -0.59 -0.21 0.00 -2.44 0.00 0.00 57.07 53.76 1urx s TYR 208 Cb -0.08 -3.07 0.10 0.00 0.35 0.00 0.00 41.96 39.26 1urx s TYR 208 CO -0.07 -0.78 1.24 -0.46 -1.34 0.00 0.00 175.55 174.13 1urx s TRP 209 N 2.05 2.87 -0.01 4.97 -0.00 -0.17 -1.37 118.94 127.28 1urx s TRP 209 Ca 0.10 -1.12 -0.18 0.00 -0.00 0.00 0.00 56.10 54.90 1urx s TRP 209 Cb -0.20 -4.44 -0.34 0.00 -0.00 0.00 0.00 33.47 28.50 1urx s TRP 209 CO 0.11 -1.67 0.92 -0.22 -0.00 0.00 0.00 176.95 176.09 1urx h LYS 210 N 9.24 0.44 -3.17 5.86 3.64 -1.56 -1.51 116.57 129.51 1urx h LYS 210 Ca 0.14 -0.75 -0.03 0.00 -1.27 0.00 0.00 60.65 58.75 1urx h LYS 210 Cb 1.02 0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 33.09 1urx h LYS 210 CO 1.23 1.36 0.19 0.16 -2.27 0.00 0.00 179.45 180.11 1urx s ASP 211 N -7.33 0.03 0.31 4.20 3.84 -1.22 -3.99 116.67 112.51 1urx s ASP 211 Ca -0.12 -1.03 0.18 0.00 -0.00 0.00 0.00 52.55 51.58 1urx s ASP 211 Cb 0.03 0.78 0.99 0.00 -1.38 0.00 0.00 42.92 43.35 1urx s ASP 211 CO 0.89 -1.53 1.52 -2.65 -0.00 0.00 0.00 175.17 173.41 1urx n PRO 212 N -0.51 0.12 -0.01 2.11 -0.02 -1.26 -2.49 135.00 132.95 1urx n PRO 212 Ca -0.06 0.61 0.01 0.00 -2.02 0.00 0.00 63.50 62.04 1urx n PRO 212 Cb 0.60 -1.99 0.01 0.00 -0.02 0.00 0.00 33.50 32.10 1urx n PRO 212 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1urx n PHE 213 N -2.17 0.00 -3.65 6.00 3.01 -1.26 -0.53 117.46 118.86 1urx n PHE 213 Ca -0.01 -0.51 -0.19 0.00 1.01 0.00 0.00 57.45 57.75 1urx n PHE 213 Cb 0.12 -0.06 -0.16 0.00 -0.01 0.00 0.00 39.48 39.37 1urx n PHE 213 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1urx s THR 214 N -1.09 -0.20 -0.06 4.37 2.01 -1.04 -2.88 115.64 116.76 1urx s THR 214 Ca 0.03 0.31 0.03 0.00 0.31 0.00 0.00 61.69 62.36 1urx s THR 214 Cb 0.02 -0.29 0.00 0.00 0.01 0.00 0.00 72.50 72.24 1urx s THR 214 CO 0.00 0.10 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.12 1urx s LEU 215 N 2.24 1.81 -0.07 4.42 1.43 -0.77 -1.67 118.68 126.07 1urx s LEU 215 Ca 0.04 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 52.84 1urx s LEU 215 Cb -0.13 -0.92 0.00 0.00 0.03 0.00 0.00 46.19 45.17 1urx s LEU 215 CO -0.05 0.10 -0.19 -1.61 0.23 0.00 0.00 176.35 174.82 1urx s GLU 216 N 0.32 2.24 -0.05 1.70 2.02 -0.47 -0.76 118.70 123.70 1urx s GLU 216 Ca -0.09 -0.69 -0.00 0.00 0.02 0.00 0.00 54.97 54.20 1urx s GLU 216 Cb -0.14 -1.82 -0.03 0.00 0.10 0.00 0.00 34.13 32.24 1urx s GLU 216 CO 0.03 0.20 -0.00 0.71 0.02 0.00 0.00 175.26 176.22 1urx s TYR 217 N 0.23 3.11 -0.07 1.61 1.51 0.35 -0.27 117.35 123.82 1urx s TYR 217 Ca -0.10 0.14 0.00 0.00 -1.01 0.00 0.00 57.07 56.10 1urx s TYR 217 Cb -0.15 -1.74 0.02 0.00 -0.11 0.00 0.00 41.96 39.99 1urx s TYR 217 CO 0.05 0.45 -0.06 0.71 -1.11 0.00 0.00 175.55 175.59 1urx s TYR 218 N -0.95 1.05 -0.13 2.71 1.51 -0.17 -0.62 117.35 120.76 1urx s TYR 218 Ca 0.15 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 55.85 1urx s TYR 218 Cb -0.11 -0.91 0.00 0.00 -0.11 0.00 0.00 41.96 40.83 1urx s TYR 218 CO 0.05 -0.31 -0.21 0.42 -1.11 0.00 0.00 175.55 174.39 1urx s ILE 219 N 1.26 2.18 -1.52 2.71 1.01 -0.26 -0.67 121.20 125.92 1urx s ILE 219 Ca -0.05 -0.95 -0.13 0.00 0.00 0.00 0.00 60.65 59.52 1urx s ILE 219 Cb -0.14 -1.87 0.09 0.00 0.01 0.00 0.00 42.46 40.55 1urx s ILE 219 CO -0.02 0.55 0.83 0.47 0.00 0.00 0.00 174.94 176.77 1urx n ASP 220 N 3.91 -4.44 -0.07 3.58 10.43 0.40 -1.95 116.55 128.41 1urx n ASP 220 Ca -0.20 -0.71 -0.01 0.00 2.57 0.00 0.00 54.79 56.45 1urx n ASP 220 Cb 0.52 -3.58 -0.00 0.00 1.84 0.00 0.00 41.12 39.89 1urx n ASP 220 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1urx n GLY 221 N -1.53 0.49 3.24 0.44 0.00 -1.26 -5.01 105.19 101.56 1urx n GLY 221 Ca 0.03 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 1urx n GLY 221 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1urx s VAL 222 N -1.95 2.30 -0.03 1.61 1.01 -0.82 -4.79 120.40 117.72 1urx s VAL 222 Ca 0.00 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 1urx s VAL 222 Cb 0.00 -1.91 -0.06 0.00 0.00 0.00 0.00 36.38 34.41 1urx s VAL 222 CO 0.00 0.55 1.69 -0.75 0.00 0.00 0.00 175.10 176.59 1urx s LYS 223 N 0.52 4.18 -0.01 2.72 2.20 -1.26 -1.11 119.74 126.98 1urx s LYS 223 Ca -0.13 2.25 0.10 0.00 -0.36 0.00 0.00 55.97 57.82 1urx s LYS 223 Cb -0.17 -3.98 -0.14 0.00 -1.51 0.00 0.00 37.83 32.03 1urx s LYS 223 CO 0.05 -0.85 0.23 1.33 -0.36 0.00 0.00 175.35 175.75 1urx n VAL 224 N 5.43 0.00 -3.62 4.02 0.24 0.21 -4.96 118.33 119.65 1urx n VAL 224 Ca 0.17 -0.23 -0.14 0.00 -2.04 0.00 0.00 64.34 62.10 1urx n VAL 224 Cb 0.42 0.35 -0.07 0.00 -1.47 0.00 0.00 33.84 33.07 1urx n VAL 224 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1urx s ARG 225 N -2.59 0.84 -0.09 7.34 3.52 -1.18 -5.00 118.95 121.79 1urx s ARG 225 Ca -0.03 0.89 0.04 0.00 -0.13 0.00 0.00 55.73 56.50 1urx s ARG 225 Cb 0.06 0.41 0.00 0.00 -1.56 0.00 0.00 34.95 33.86 1urx s ARG 225 CO 0.40 -0.12 -0.21 0.99 -0.81 0.00 0.00 175.30 175.54 1urx s THR 226 N 0.19 1.84 -0.18 4.11 2.01 -1.26 -0.50 115.64 121.85 1urx s THR 226 Ca -0.01 -0.90 -0.04 0.00 0.31 0.00 0.00 61.69 61.04 1urx s THR 226 Cb -0.04 -1.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.84 1urx s THR 226 CO 0.02 0.51 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.75 1urx s VAL 227 N 0.35 3.92 0.33 3.82 1.01 0.06 -5.02 120.40 124.87 1urx s VAL 227 Ca -0.16 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1urx s VAL 227 Cb -0.17 -2.74 0.01 0.00 0.00 0.00 0.00 36.38 33.48 1urx s VAL 227 CO 0.07 0.46 0.06 0.35 0.00 0.00 0.00 175.10 176.05 1urx n THR 228 N 3.89 0.00 -0.35 3.92 -2.24 -1.26 -1.85 114.28 116.38 1urx n THR 228 Ca -0.17 -1.48 0.07 0.00 -2.27 0.00 0.00 64.05 60.19 1urx n THR 228 Cb 0.52 0.18 0.23 0.00 -2.10 0.00 0.00 70.33 69.16 1urx n THR 228 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1urx h ARG 229 N 0.00 0.94 0.00 -0.78 2.43 -1.95 -1.40 114.38 113.61 1urx h ARG 229 Ca -0.26 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 58.83 1urx h ARG 229 Cb 0.81 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1urx h ARG 229 CO 0.42 0.62 -0.14 0.00 -1.51 0.00 0.00 179.97 179.36 1urx h ALA 230 N 1.53 1.68 -0.01 2.80 0.00 -1.96 -1.89 119.26 121.41 1urx h ALA 230 Ca 0.48 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1urx h ALA 230 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1urx h ALA 230 CO -0.27 0.17 -0.30 0.39 0.00 0.00 0.00 179.25 179.24 1urx n GLU 231 N -4.24 0.87 -0.02 0.00 1.02 -0.53 -4.15 120.64 113.59 1urx n GLU 231 Ca -0.02 -0.55 -0.13 0.00 -0.02 0.00 0.00 57.16 56.43 1urx n GLU 231 Cb 0.21 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.04 1urx n GLU 231 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1urx h ILE 232 N 1.35 1.43 -0.54 -3.67 1.08 -1.33 -3.43 117.51 112.40 1urx h ILE 232 Ca 0.00 -1.27 -0.31 0.00 -0.39 0.00 0.00 64.86 62.89 1urx h ILE 232 Cb 0.54 2.27 -0.22 0.00 -3.07 0.00 0.00 36.82 36.35 1urx h ILE 232 CO 0.00 0.33 -0.65 -0.67 -0.69 0.00 0.00 178.15 176.48 1urx n ASP 233 N -4.81 -1.49 0.27 1.72 2.03 -1.26 -4.79 116.55 108.22 1urx n ASP 233 Ca -0.09 -3.51 0.13 0.00 0.52 0.00 0.00 54.79 51.84 1urx n ASP 233 Cb 0.28 1.24 0.76 0.00 -0.72 0.00 0.00 41.12 42.68 1urx n ASP 233 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1urx h PRO 234 N 3.01 0.00 -0.07 -0.67 0.13 -1.82 -1.55 132.00 131.04 1urx h PRO 234 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1urx h PRO 234 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1urx h PRO 234 CO 0.23 0.09 0.00 0.09 -0.23 0.00 0.00 178.00 178.18 1urx n ASN 235 N -3.79 1.59 -3.50 1.44 3.02 -1.26 -4.97 115.26 107.79 1urx n ASN 235 Ca -0.02 -1.58 -0.23 0.00 -0.03 0.00 0.00 54.58 52.72 1urx n ASN 235 Cb 0.19 -0.04 0.08 0.00 -0.61 0.00 0.00 39.78 39.40 1urx n ASN 235 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1urx n ASN 236 N 0.25 -5.78 0.25 6.41 5.15 -0.58 -4.89 115.26 116.05 1urx n ASN 236 Ca 0.18 -0.53 0.11 0.00 -0.60 0.00 0.00 54.58 53.73 1urx n ASN 236 Cb 0.35 -4.93 0.63 0.00 -0.53 0.00 0.00 39.78 35.30 1urx n ASN 236 CO 0.00 0.00 0.00 0.45 1.40 0.00 0.00 177.26 179.11 1urx h HIS 237 N -2.55 0.00 -0.12 1.20 3.86 -1.93 -3.02 115.15 112.59 1urx h HIS 237 Ca -0.56 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.65 1urx h HIS 237 Cb 1.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.83 1urx h HIS 237 CO 0.48 0.17 0.00 1.28 0.86 0.00 0.00 177.93 180.72 1urx n LEU 238 N -3.67 2.75 -0.77 2.43 4.77 -1.26 -4.76 117.00 116.49 1urx n LEU 238 Ca -0.01 -1.16 -0.09 0.00 -0.03 0.00 0.00 56.01 54.71 1urx n LEU 238 Cb 0.29 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1urx n LEU 238 CO 0.32 0.52 -0.09 0.61 -1.33 0.00 0.00 177.39 177.42 1urx n GLY 239 N 1.10 0.89 0.00 -0.72 0.00 -1.14 -3.44 105.19 101.87 1urx n GLY 239 Ca 0.13 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1urx n GLY 239 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1urx n GLY 240 N -1.70 0.40 0.19 -0.02 0.00 -1.26 -4.97 105.19 97.82 1urx n GLY 240 Ca -0.10 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.00 1urx n GLY 240 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1urx h THR 241 N 0.00 0.58 -1.28 2.61 1.35 -1.99 -3.50 112.91 110.69 1urx h THR 241 Ca 0.00 -1.56 0.00 0.00 -0.55 0.00 0.00 66.41 64.30 1urx h THR 241 Cb 0.00 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 1urx h THR 241 CO 0.00 0.30 0.00 0.61 -0.25 0.00 0.00 175.52 176.18 1urx n GLY 242 N 0.77 -0.16 3.29 5.82 0.00 -1.26 -4.19 105.19 109.45 1urx n GLY 242 Ca 0.02 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 1urx n GLY 242 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1urx n LEU 243 N 0.00 5.55 -0.07 0.99 4.77 0.31 -4.69 117.00 123.86 1urx n LEU 243 Ca 0.00 -3.97 0.05 0.00 -0.03 0.00 0.00 56.01 52.06 1urx n LEU 243 Cb 0.00 -1.71 -0.04 0.00 -2.33 0.00 0.00 43.42 39.34 1urx n LEU 243 CO 0.00 0.43 0.05 -0.46 -1.33 0.00 0.00 177.39 176.08 1urx n ASN 244 N 7.73 0.71 -4.83 -1.43 6.94 -1.26 -4.01 115.26 119.11 1urx n ASN 244 Ca 0.50 -0.85 -0.35 0.00 -0.02 0.00 0.00 54.58 53.85 1urx n ASN 244 Cb 0.44 0.85 -0.06 0.00 -2.36 0.00 0.00 39.78 38.64 1urx n ASN 244 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1urx s GLN 245 N -1.81 4.16 0.38 -3.83 -0.21 -1.26 -4.93 119.66 112.16 1urx s GLN 245 Ca 0.05 0.76 -0.27 0.00 0.02 0.00 0.00 55.36 55.93 1urx s GLN 245 Cb 0.08 -2.82 -0.11 0.00 1.00 0.00 0.00 33.01 31.16 1urx s GLN 245 CO 0.38 0.37 1.31 0.00 -2.12 0.00 0.00 175.29 175.23 1urx n ALA 246 N 0.56 1.45 -2.72 6.09 0.00 -1.26 -4.83 120.51 119.80 1urx n ALA 246 Ca -0.02 0.32 -0.10 0.00 0.00 0.00 0.00 53.44 53.65 1urx n ALA 246 Cb 0.51 -2.28 -0.07 0.00 0.00 0.00 0.00 19.45 17.61 1urx n ALA 246 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1urx s THR 247 N -1.14 0.06 0.06 0.00 -1.32 -0.19 -4.73 115.64 108.38 1urx s THR 247 Ca 0.57 -1.40 -0.08 0.00 -1.21 0.00 0.00 61.69 59.58 1urx s THR 247 Cb -0.53 -1.86 -0.05 0.00 -1.51 0.00 0.00 72.50 68.54 1urx s THR 247 CO 0.61 -0.28 0.34 0.20 -2.21 0.00 0.00 174.62 173.28 1urx s ASN 248 N -2.97 6.56 0.04 8.08 0.01 -1.04 -1.22 114.94 124.40 1urx s ASN 248 Ca 0.18 0.67 -0.20 0.00 -0.71 0.00 0.00 52.86 52.80 1urx s ASN 248 Cb 0.03 -2.13 -0.06 0.00 0.41 0.00 0.00 41.25 39.50 1urx s ASN 248 CO 0.00 0.19 0.59 -0.63 -1.51 0.00 0.00 177.10 175.75 1urx s ILE 249 N -1.38 4.81 -0.03 0.60 1.01 -1.26 -1.68 121.20 123.27 1urx s ILE 249 Ca 0.31 1.25 0.03 0.00 0.00 0.00 0.00 60.65 62.24 1urx s ILE 249 Cb -0.13 -3.92 -0.00 0.00 0.01 0.00 0.00 42.46 38.41 1urx s ILE 249 CO 0.18 0.48 -0.12 -0.63 0.00 0.00 0.00 174.94 174.85 1urx s ILE 250 N -0.63 1.00 -0.12 2.92 1.01 0.61 -0.87 121.20 125.11 1urx s ILE 250 Ca 0.30 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.48 1urx s ILE 250 Cb -0.19 -0.87 0.02 0.00 0.01 0.00 0.00 42.46 41.43 1urx s ILE 250 CO 0.18 0.30 -0.13 -0.63 0.00 0.00 0.00 174.94 174.67 1urx s ILE 251 N 0.09 1.37 0.35 2.92 1.01 -0.66 -1.07 121.20 125.22 1urx s ILE 251 Ca -0.02 -0.53 -0.07 0.00 0.00 0.00 0.00 60.65 60.02 1urx s ILE 251 Cb -0.09 -1.29 0.02 0.00 0.01 0.00 0.00 42.46 41.10 1urx s ILE 251 CO 0.01 0.42 0.57 1.51 0.00 0.00 0.00 174.94 177.45 1urx s ASP 252 N 1.32 0.61 0.05 3.58 -4.77 -0.66 -1.04 116.67 115.77 1urx s ASP 252 Ca -0.00 -1.36 0.04 0.00 -3.30 0.00 0.00 52.55 47.93 1urx s ASP 252 Cb -0.14 0.72 -0.03 0.00 -1.09 0.00 0.00 42.92 42.39 1urx s ASP 252 CO -0.06 -1.41 -0.12 0.00 0.70 0.00 0.00 175.17 174.28 1urx s GLU 254 N -1.50 0.21 -0.96 0.00 2.02 -0.44 -4.63 118.70 113.38 1urx s GLU 254 Ca -0.04 -0.19 -0.11 0.00 0.02 0.00 0.00 54.97 54.66 1urx s GLU 254 Cb -0.09 0.08 0.25 0.00 0.10 0.00 0.00 34.13 34.47 1urx s GLU 254 CO 0.01 -0.04 0.93 1.21 0.02 0.00 0.00 175.26 177.39 1urx s ASN 255 N -0.62 6.99 -1.33 -0.19 3.84 -1.26 -0.77 114.94 121.60 1urx s ASN 255 Ca -0.07 -3.15 -0.08 0.00 0.21 0.00 0.00 52.86 49.77 1urx s ASN 255 Cb -0.04 -2.20 0.12 0.00 -0.55 0.00 0.00 41.25 38.58 1urx s ASN 255 CO 0.00 -0.42 2.15 0.00 -2.79 0.00 0.00 177.10 176.04 1urx n GLN 256 N 3.32 3.92 0.00 0.43 6.02 -1.26 -1.64 117.38 128.16 1urx n GLN 256 Ca 0.19 -3.35 0.12 0.00 -0.01 0.00 0.00 57.00 53.95 1urx n GLN 256 Cb 0.43 -2.84 0.68 0.00 1.02 0.00 0.00 30.24 29.53 1urx n GLN 256 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1urx n THR 257 N 2.90 0.10 0.29 5.09 -2.24 -1.26 -1.05 114.28 118.12 1urx n THR 257 Ca 0.51 0.03 0.15 0.00 -2.27 0.00 0.00 64.05 62.47 1urx n THR 257 Cb 0.31 -0.64 0.89 0.00 -2.10 0.00 0.00 70.33 68.79 1urx n THR 257 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1urx h ASP 258 N 0.00 0.00 0.00 3.42 3.32 -1.93 -3.36 116.42 117.87 1urx h ASP 258 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1urx h ASP 258 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1urx h ASP 258 CO 0.00 0.04 0.00 -2.67 -1.72 0.00 0.00 179.24 174.89 1urx n TRP 259 N -3.62 0.00 -4.31 4.55 4.27 -0.92 -5.12 117.44 112.29 1urx n TRP 259 Ca -0.02 0.00 -0.26 0.00 -3.89 0.00 0.00 57.50 53.33 1urx n TRP 259 Cb 0.15 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.01 1urx n TRP 259 CO 0.00 0.00 0.00 1.03 -2.29 0.00 0.00 177.69 176.43 1urx s ARG 260 N 0.00 2.06 0.45 -2.67 1.81 -0.21 -5.11 118.95 115.28 1urx s ARG 260 Ca 0.00 -1.34 -0.25 0.00 -1.72 0.00 0.00 55.73 52.42 1urx s ARG 260 Cb 0.00 -2.12 -0.08 0.00 -0.45 0.00 0.00 34.95 32.30 1urx s ARG 260 CO 0.00 0.41 1.37 -1.25 -0.68 0.00 0.00 175.30 175.15 1urx s PRO 261 N -3.02 3.72 0.42 3.54 0.04 -1.26 -4.23 135.00 134.21 1urx s PRO 261 Ca 0.26 2.28 -0.25 0.00 0.04 0.00 0.00 61.00 63.34 1urx s PRO 261 Cb -0.08 -2.63 -0.08 0.00 0.04 0.00 0.00 34.50 31.75 1urx s PRO 261 CO 0.16 -0.74 1.20 0.00 0.04 0.00 0.00 177.00 177.66 1urx s ALA 262 N -1.25 3.11 0.43 8.56 0.00 -1.26 -4.86 121.76 126.49 1urx s ALA 262 Ca 0.61 1.03 -0.25 0.00 0.00 0.00 0.00 51.96 53.35 1urx s ALA 262 Cb -0.41 -3.41 -0.08 0.00 0.00 0.00 0.00 23.12 19.22 1urx s ALA 262 CO 0.52 -0.67 1.29 0.00 0.00 0.00 0.00 175.76 176.91 1urx s ALA 263 N -1.41 3.18 0.57 0.00 0.00 -1.26 -5.01 121.76 117.83 1urx s ALA 263 Ca 0.59 1.21 -0.15 0.00 0.00 0.00 0.00 51.96 53.61 1urx s ALA 263 Cb -0.32 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.27 1urx s ALA 263 CO 0.40 -0.87 1.03 0.95 0.00 0.00 0.00 175.76 177.27 1urx s THR 264 N -1.30 4.17 0.26 0.00 -4.23 -1.26 -4.91 115.64 108.37 1urx s THR 264 Ca 0.59 0.99 -0.05 0.00 -1.18 0.00 0.00 61.69 62.04 1urx s THR 264 Cb -0.37 -3.55 0.24 0.00 1.34 0.00 0.00 72.50 70.15 1urx s THR 264 CO 0.47 -0.65 1.91 1.56 -0.54 0.00 0.00 174.62 177.37 1urx h GLN 265 N 0.50 1.21 -0.50 3.99 1.08 -1.94 -2.39 115.11 117.06 1urx h GLN 265 Ca -0.46 -0.11 -0.06 0.00 -1.45 0.00 0.00 58.65 56.57 1urx h GLN 265 Cb 1.20 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 28.35 1urx h GLN 265 CO 0.59 0.84 0.06 1.49 -0.95 0.00 0.00 178.83 180.87 1urx h GLU 266 N 1.23 0.79 -0.47 1.46 4.22 -1.98 -1.48 114.58 118.36 1urx h GLU 266 Ca 0.32 -0.18 0.01 0.00 0.08 0.00 0.00 59.36 59.59 1urx h GLU 266 Cb -0.06 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1urx h GLU 266 CO -0.06 0.76 0.30 0.93 -2.18 0.00 0.00 179.01 178.76 1urx h GLU 267 N 0.75 0.60 0.00 1.92 5.08 -1.83 -2.20 114.58 118.90 1urx h GLU 267 Ca 0.16 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1urx h GLU 267 Cb 0.37 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1urx h GLU 267 CO 0.01 0.39 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.16 1urx h LEU 268 N 0.61 0.00 0.00 1.33 3.38 -1.05 -2.56 115.31 117.03 1urx h LEU 268 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1urx h LEU 268 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1urx h LEU 268 CO -0.05 0.18 -0.11 0.00 0.09 0.00 0.00 178.44 178.55 1urx h ALA 269 N 1.82 0.93 -1.41 1.53 0.00 -0.69 -3.35 119.26 118.10 1urx h ALA 269 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1urx h ALA 269 Cb 0.39 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.08 1urx h ALA 269 CO 0.02 0.00 1.00 0.34 0.00 0.00 0.00 179.25 180.62 1urx s ASP 270 N -5.24 6.22 0.00 0.00 3.68 -0.94 -4.89 116.67 115.51 1urx s ASP 270 Ca 0.08 -0.75 0.24 0.00 2.13 0.00 0.00 52.55 54.25 1urx s ASP 270 Cb 0.09 -2.53 1.42 0.00 -1.45 0.00 0.00 42.92 40.46 1urx s ASP 270 CO 0.65 -1.69 1.80 -0.90 0.13 0.00 0.00 175.17 175.16 1urx n ASP 271 N 8.87 0.00 -0.00 -0.34 5.75 -1.26 -1.39 116.55 128.18 1urx n ASP 271 Ca 0.06 -0.79 0.14 0.00 -0.01 0.00 0.00 54.79 54.20 1urx n ASP 271 Cb 0.49 0.00 0.67 0.00 -1.03 0.00 0.00 41.12 41.25 1urx n ASP 271 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1urx n SER 272 N -0.99 0.01 0.00 -1.12 3.41 -1.26 -4.27 113.62 109.40 1urx n SER 272 Ca 0.18 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1urx n SER 272 Cb 0.08 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 1urx n SER 272 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1urx n LYS 273 N -1.41 0.81 -0.68 4.33 5.02 -0.49 -4.89 118.16 120.85 1urx n LYS 273 Ca 0.10 -0.03 0.08 0.00 -2.02 0.00 0.00 58.31 56.44 1urx n LYS 273 Cb 0.30 -0.25 0.34 0.00 -0.02 0.00 0.00 35.03 35.40 1urx n LYS 273 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1urx n ASN 274 N -0.12 4.85 -4.13 4.39 0.23 -0.72 -3.14 115.26 116.61 1urx n ASN 274 Ca 0.00 -2.94 -0.31 0.00 -0.53 0.00 0.00 54.58 50.80 1urx n ASN 274 Cb 0.06 -0.61 -0.17 0.00 -2.08 0.00 0.00 39.78 36.98 1urx n ASN 274 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1urx s ILE 275 N -2.74 1.84 -0.46 1.53 1.01 -1.26 -1.06 121.20 120.06 1urx s ILE 275 Ca 0.49 -0.85 -0.23 0.00 0.00 0.00 0.00 60.65 60.05 1urx s ILE 275 Cb 0.38 -1.63 0.03 0.00 0.01 0.00 0.00 42.46 41.24 1urx s ILE 275 CO 0.13 0.51 0.79 0.12 0.00 0.00 0.00 174.94 176.49 1urx s PHE 276 N 0.79 2.98 -0.17 3.97 5.36 0.44 -4.13 117.98 127.22 1urx s PHE 276 Ca -0.09 0.15 -0.14 0.00 -0.96 0.00 0.00 56.93 55.89 1urx s PHE 276 Cb -0.16 -3.68 -0.05 0.00 -0.34 0.00 0.00 43.02 38.79 1urx s PHE 276 CO 0.00 -1.01 0.30 -1.58 -1.46 0.00 0.00 175.22 171.47 1urx s TRP 277 N 3.32 3.44 -0.26 10.12 0.52 -0.85 -1.18 118.94 134.03 1urx s TRP 277 Ca 0.30 0.57 0.02 0.00 0.02 0.00 0.00 56.10 57.02 1urx s TRP 277 Cb -0.12 -2.36 0.07 0.00 -1.15 0.00 0.00 33.47 29.90 1urx s TRP 277 CO 0.23 0.19 -0.07 0.08 0.02 0.00 0.00 176.95 177.39 1urx s VAL 278 N 0.64 2.00 0.23 4.03 1.01 -0.14 -0.71 120.40 127.46 1urx s VAL 278 Ca 0.16 -1.62 -0.02 0.00 0.00 0.00 0.00 61.98 60.50 1urx s VAL 278 Cb -0.13 -2.20 0.04 0.00 0.00 0.00 0.00 36.38 34.09 1urx s VAL 278 CO 0.04 -0.13 1.65 -0.78 0.00 0.00 0.00 175.10 175.89 1urx h ASP 279 N 7.80 0.70 -4.62 3.32 3.58 -1.30 -0.28 116.42 125.63 1urx h ASP 279 Ca -0.17 -0.25 0.12 0.00 0.42 0.00 0.00 57.03 57.15 1urx h ASP 279 Cb 1.04 -0.19 -0.15 0.00 1.72 0.00 0.00 39.33 41.75 1urx h ASP 279 CO 0.46 0.91 0.51 -1.66 -2.88 0.00 0.00 179.24 176.58 1urx s TRP 280 N -4.57 -0.33 -0.03 0.28 1.48 -1.24 -4.33 118.94 110.20 1urx s TRP 280 Ca -0.09 0.21 0.04 0.00 -1.06 0.00 0.00 56.10 55.20 1urx s TRP 280 Cb 0.13 0.54 -0.00 0.00 -1.16 0.00 0.00 33.47 32.97 1urx s TRP 280 CO 0.82 -0.52 -0.14 -1.50 -4.06 0.00 0.00 176.95 171.55 1urx s ILE 281 N -3.08 1.15 0.01 0.66 2.07 -0.26 -1.94 121.20 119.81 1urx s ILE 281 Ca 0.05 -0.58 0.01 0.00 -1.41 0.00 0.00 60.65 58.72 1urx s ILE 281 Cb -0.01 -0.98 -0.01 0.00 0.13 0.00 0.00 42.46 41.59 1urx s ILE 281 CO -0.09 0.33 -0.04 0.00 -1.91 0.00 0.00 174.94 173.23 1urx s ARG 282 N -0.07 0.35 -0.03 3.50 1.70 0.11 -1.16 118.95 123.34 1urx s ARG 282 Ca 0.00 -0.27 0.02 0.00 -0.47 0.00 0.00 55.73 55.01 1urx s ARG 282 Cb -0.08 -0.28 0.01 0.00 -0.57 0.00 0.00 34.95 34.03 1urx s ARG 282 CO 0.01 0.07 -0.08 0.08 -1.08 0.00 0.00 175.30 174.30 1urx s VAL 283 N -0.38 0.72 0.08 4.99 1.01 -1.26 -1.19 120.40 124.36 1urx s VAL 283 Ca -0.01 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.70 1urx s VAL 283 Cb -0.03 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 1urx s VAL 283 CO -0.00 0.24 -0.08 -0.31 0.00 0.00 0.00 175.10 174.95 1urx s TYR 284 N 0.46 0.88 0.11 5.22 1.51 0.13 -0.25 117.35 125.41 1urx s TYR 284 Ca -0.07 -0.70 0.09 0.00 -1.01 0.00 0.00 57.07 55.38 1urx s TYR 284 Cb -0.11 -0.50 -0.04 0.00 -0.11 0.00 0.00 41.96 41.20 1urx s TYR 284 CO 0.01 -0.08 -0.22 0.15 -1.11 0.00 0.00 175.55 174.30 1urx s LYS 285 N -2.78 1.18 0.18 -0.62 1.02 -0.42 -0.80 119.74 117.49 1urx s LYS 285 Ca 0.03 -1.21 -0.30 0.00 0.02 0.00 0.00 55.97 54.51 1urx s LYS 285 Cb -0.02 -1.47 -0.08 0.00 -0.52 0.00 0.00 37.83 35.75 1urx s LYS 285 CO -0.02 0.34 1.03 -1.25 -0.92 0.00 0.00 175.35 174.53 1urx s PRO 286 N -1.99 4.69 0.05 -1.68 0.04 -1.26 -0.99 135.00 133.85 1urx s PRO 286 Ca 0.08 1.60 -0.04 0.00 0.04 0.00 0.00 61.00 62.68 1urx s PRO 286 Cb -0.10 -3.30 -0.02 0.00 0.04 0.00 0.00 34.50 31.12 1urx s PRO 286 CO 0.05 0.22 0.05 0.14 0.04 0.00 0.00 177.00 177.50 1urx s VAL 287 N -0.47 0.16 -2.00 -0.36 -7.23 0.25 -4.95 120.40 105.80 1urx s VAL 287 Ca 0.46 -1.32 0.16 0.00 -1.81 0.00 0.00 61.98 59.48 1urx s VAL 287 Cb -0.27 -1.08 0.46 0.00 0.56 0.00 0.00 36.38 36.05 1urx s VAL 287 CO 0.33 -0.73 1.38 0.00 -0.31 0.00 0.00 175.10 175.78