#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ud4 n GLY 2 N 0.00 2.54 3.73 0.27 0.00 -1.26 -5.00 105.19 105.47 1ud4 n GLY 2 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ud4 n GLY 2 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ud4 n LEU 3 N 0.00 4.07 -4.77 0.99 7.94 -1.26 -4.93 117.00 119.04 1ud4 n LEU 3 Ca 0.00 1.20 -0.40 0.00 -1.11 0.00 0.00 56.01 55.70 1ud4 n LEU 3 Cb 0.00 -1.55 -0.02 0.00 0.53 0.00 0.00 43.42 42.39 1ud4 n LEU 3 CO 0.00 -0.14 0.91 0.20 -1.11 0.00 0.00 177.39 177.25 1ud4 s ASN 4 N -0.02 6.65 0.03 1.96 0.01 -1.26 -5.00 114.94 117.31 1ud4 s ASN 4 Ca 0.58 2.52 -0.17 0.00 -0.71 0.00 0.00 52.86 55.08 1ud4 s ASN 4 Cb -0.53 -2.63 -0.06 0.00 0.41 0.00 0.00 41.25 38.43 1ud4 s ASN 4 CO 0.59 -0.60 0.49 -0.83 -1.51 0.00 0.00 177.10 175.23 1ud4 s GLY 5 N -0.79 2.58 -0.04 0.66 0.00 -1.26 -4.90 107.32 103.56 1ud4 s GLY 5 Ca 0.53 -0.09 -0.00 0.00 0.00 0.00 0.00 44.72 45.15 1ud4 s GLY 5 CO 0.46 0.31 0.02 -1.59 0.00 0.00 0.00 173.10 172.30 1ud4 s THR 6 N -1.07 0.14 0.16 0.90 2.01 -1.26 -4.49 115.64 112.02 1ud4 s THR 6 Ca 0.26 0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.44 1ud4 s THR 6 Cb -0.18 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.01 1ud4 s THR 6 CO 0.16 0.17 0.32 -0.32 -0.69 0.00 0.00 174.62 174.26 1ud4 s MET 7 N 1.44 3.48 -0.03 4.92 1.75 -0.40 -0.51 119.30 129.95 1ud4 s MET 7 Ca -0.04 -0.46 0.00 0.00 -1.25 0.00 0.00 55.69 53.94 1ud4 s MET 7 Cb -0.13 -2.92 0.03 0.00 2.84 0.00 0.00 34.83 34.65 1ud4 s MET 7 CO -0.03 0.48 0.02 1.41 -0.65 0.00 0.00 175.02 176.25 1ud4 s MET 8 N -3.18 0.15 -0.54 4.11 1.75 -0.47 0.03 119.30 121.15 1ud4 s MET 8 Ca 0.36 0.14 -0.26 0.00 -1.25 0.00 0.00 55.69 54.69 1ud4 s MET 8 Cb -0.11 -0.40 0.03 0.00 2.84 0.00 0.00 34.83 37.19 1ud4 s MET 8 CO 0.29 -0.17 1.03 -1.14 -0.65 0.00 0.00 175.02 174.38 1ud4 s GLN 9 N 1.14 3.45 -1.24 4.11 0.74 0.14 -1.34 119.66 126.67 1ud4 s GLN 9 Ca -0.08 0.04 -0.08 0.00 0.05 0.00 0.00 55.36 55.28 1ud4 s GLN 9 Cb -0.13 -4.00 -0.07 0.00 1.10 0.00 0.00 33.01 29.90 1ud4 s GLN 9 CO -0.02 -1.48 2.96 0.98 -0.55 0.00 0.00 175.29 177.17 1ud4 n TYR 10 N 7.73 2.01 0.00 1.67 9.36 -0.95 -1.83 117.16 135.14 1ud4 n TYR 10 Ca 0.05 -2.72 0.00 0.00 3.32 0.00 0.00 57.90 58.56 1ud4 n TYR 10 Cb 0.48 -2.16 0.00 0.00 -0.63 0.00 0.00 39.34 37.03 1ud4 n TYR 10 CO 0.00 0.00 0.00 2.48 0.22 0.00 0.00 176.86 179.56 1ud4 n TYR 11 N 2.90 0.00 -4.16 2.98 0.18 -1.26 -4.78 117.16 113.02 1ud4 n TYR 11 Ca 0.68 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 60.36 1ud4 n TYR 11 Cb 0.37 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.22 1ud4 n TYR 11 CO 0.00 0.00 0.00 -1.83 -2.08 0.00 0.00 176.86 172.95 1ud4 s GLU 12 N -2.00 0.84 0.23 -3.48 4.04 -1.26 -4.28 118.70 112.78 1ud4 s GLU 12 Ca 0.00 -1.35 -0.07 0.00 0.04 0.00 0.00 54.97 53.59 1ud4 s GLU 12 Cb 0.00 -0.07 0.34 0.00 0.02 0.00 0.00 34.13 34.42 1ud4 s GLU 12 CO 0.00 -0.08 1.79 2.35 -1.84 0.00 0.00 175.26 177.48 1ud4 h TRP 13 N 2.95 0.68 -0.41 4.83 2.91 -1.92 -2.90 115.95 122.11 1ud4 h TRP 13 Ca -0.35 0.03 -0.09 0.00 1.13 0.00 0.00 58.89 59.61 1ud4 h TRP 13 Cb 1.17 -0.20 -0.05 0.00 -0.51 0.00 0.00 29.16 29.57 1ud4 h TRP 13 CO 0.55 0.26 0.11 0.72 -1.03 0.00 0.00 178.44 179.05 1ud4 n HIS 14 N -4.83 1.39 -1.64 2.65 8.25 -1.26 -4.94 115.22 114.83 1ud4 n HIS 14 Ca 0.11 -0.67 -0.39 0.00 -0.26 0.00 0.00 57.72 56.52 1ud4 n HIS 14 Cb 0.26 -0.43 0.04 0.00 1.12 0.00 0.00 29.99 30.98 1ud4 n HIS 14 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ud4 n LEU 15 N 0.13 3.91 -4.75 2.41 4.77 -1.10 -4.86 117.00 117.51 1ud4 n LEU 15 Ca 0.22 0.89 -0.41 0.00 -0.03 0.00 0.00 56.01 56.67 1ud4 n LEU 15 Cb 0.92 -1.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.56 1ud4 n LEU 15 CO 0.24 -1.49 1.12 -1.61 -1.33 0.00 0.00 177.39 174.32 1ud4 s GLU 16 N -2.64 4.24 -1.38 3.23 0.41 -1.26 -4.91 118.70 116.39 1ud4 s GLU 16 Ca 0.72 2.37 -0.09 0.00 -0.41 0.00 0.00 54.97 57.56 1ud4 s GLU 16 Cb -0.44 -3.07 0.09 0.00 -1.78 0.00 0.00 34.13 28.92 1ud4 s GLU 16 CO 0.49 -0.44 2.27 -1.71 -0.49 0.00 0.00 175.26 175.39 1ud4 n ASN 17 N 1.91 6.46 -0.86 -0.19 5.15 -1.26 -4.50 115.26 121.97 1ud4 n ASN 17 Ca 0.06 -2.99 0.09 0.00 -0.60 0.00 0.00 54.58 51.14 1ud4 n ASN 17 Cb 0.40 -1.48 0.14 0.00 -0.53 0.00 0.00 39.78 38.30 1ud4 n ASN 17 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1ud4 n ASP 18 N 3.46 2.89 -0.84 1.20 5.68 -1.26 -4.97 116.55 122.71 1ud4 n ASP 18 Ca 0.55 -1.85 -0.11 0.00 -0.50 0.00 0.00 54.79 52.88 1ud4 n ASP 18 Cb 0.31 -0.13 -0.05 0.00 -1.14 0.00 0.00 41.12 40.11 1ud4 n ASP 18 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ud4 n GLY 19 N 1.11 1.09 0.80 6.12 0.00 -1.04 -4.84 105.19 108.42 1ud4 n GLY 19 Ca 0.14 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.15 1ud4 n GLY 19 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ud4 n GLN 20 N -1.26 2.73 -0.14 1.61 1.13 -1.25 -3.73 117.38 116.47 1ud4 n GLN 20 Ca -0.11 -2.15 -0.09 0.00 -1.94 0.00 0.00 57.00 52.71 1ud4 n GLN 20 Cb 0.54 -1.34 -0.00 0.00 0.11 0.00 0.00 30.24 29.54 1ud4 n GLN 20 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1ud4 h HIS 21 N 2.58 0.67 -0.49 1.08 2.76 -1.61 -1.10 115.15 119.05 1ud4 h HIS 21 Ca 0.00 -0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.10 1ud4 h HIS 21 Cb 0.78 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.52 1ud4 h HIS 21 CO 0.28 0.61 0.29 -1.49 -1.30 0.00 0.00 177.93 176.32 1ud4 h TRP 22 N 0.54 0.64 -0.48 5.26 -0.00 -1.58 0.10 115.95 120.43 1ud4 h TRP 22 Ca 0.14 0.00 -0.13 0.00 -0.00 0.00 0.00 58.89 58.90 1ud4 h TRP 22 Cb 0.25 -0.21 -0.01 0.00 -0.00 0.00 0.00 29.16 29.18 1ud4 h TRP 22 CO 0.01 0.43 -0.22 -0.91 -0.00 0.00 0.00 178.44 177.75 1ud4 h ASN 23 N 0.67 1.00 -0.40 -3.49 2.35 -1.72 -1.38 115.58 112.61 1ud4 h ASN 23 Ca 0.18 -0.38 -0.02 0.00 -0.55 0.00 0.00 56.30 55.53 1ud4 h ASN 23 Cb -0.02 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.05 1ud4 h ASN 23 CO -0.03 1.17 0.17 0.03 -1.65 0.00 0.00 177.43 177.11 1ud4 h ARG 24 N 0.84 0.59 -0.98 0.81 3.08 -0.10 -1.89 114.38 116.73 1ud4 h ARG 24 Ca 0.11 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.07 1ud4 h ARG 24 Cb 0.79 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.69 1ud4 h ARG 24 CO 0.07 0.55 0.65 1.25 -1.07 0.00 0.00 179.97 181.42 1ud4 h LEU 25 N 0.50 1.13 -0.27 3.04 5.85 -0.68 -0.60 115.31 124.27 1ud4 h LEU 25 Ca 0.13 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1ud4 h LEU 25 Cb 0.17 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1ud4 h LEU 25 CO -0.01 0.81 0.17 -0.74 -0.34 0.00 0.00 178.44 178.33 1ud4 h HIS 26 N 1.33 0.36 0.00 1.25 2.76 -0.93 -2.30 115.15 117.61 1ud4 h HIS 26 Ca 0.36 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.52 1ud4 h HIS 26 Cb -0.15 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 28.69 1ud4 h HIS 26 CO -0.00 0.25 -0.07 -0.44 -1.30 0.00 0.00 177.93 176.38 1ud4 h ASP 27 N 0.35 0.00 0.79 3.26 3.32 -0.93 -3.16 116.42 120.06 1ud4 h ASP 27 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1ud4 h ASP 27 Cb -0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ud4 h ASP 27 CO -0.02 0.07 -0.69 -0.67 -1.72 0.00 0.00 179.24 176.21 1ud4 n ASP 28 N -3.17 0.68 -0.25 6.45 2.03 -0.27 -4.49 116.55 117.52 1ud4 n ASP 28 Ca 0.01 0.07 -0.06 0.00 0.52 0.00 0.00 54.79 55.33 1ud4 n ASP 28 Cb 0.38 0.26 -0.01 0.00 -0.72 0.00 0.00 41.12 41.03 1ud4 n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ud4 h ALA 29 N 2.52 -0.17 0.05 -1.67 0.00 -1.38 0.38 119.26 118.97 1ud4 h ALA 29 Ca 0.00 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1ud4 h ALA 29 Cb 0.74 0.96 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 1ud4 h ALA 29 CO 0.00 -0.76 -0.09 0.00 0.00 0.00 0.00 179.25 178.40 1ud4 h ALA 30 N 0.86 -0.14 -0.88 0.00 0.00 -1.83 -1.72 119.26 115.54 1ud4 h ALA 30 Ca 0.22 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1ud4 h ALA 30 Cb 0.56 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1ud4 h ALA 30 CO -0.76 -0.60 0.57 0.00 0.00 0.00 0.00 179.25 178.46 1ud4 h ALA 31 N 0.75 1.17 -0.33 0.00 0.00 -1.70 -1.57 119.26 117.58 1ud4 h ALA 31 Ca 0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ud4 h ALA 31 Cb 0.20 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1ud4 h ALA 31 CO -0.06 0.41 0.13 -0.07 0.00 0.00 0.00 179.25 179.66 1ud4 h LEU 32 N 1.10 0.46 -0.18 0.00 3.38 -0.68 -1.15 115.31 118.24 1ud4 h LEU 32 Ca 0.35 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1ud4 h LEU 32 Cb 0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1ud4 h LEU 32 CO -0.12 0.50 0.12 -1.28 0.09 0.00 0.00 178.44 177.75 1ud4 h SER 33 N 0.39 0.21 -0.74 -0.43 0.87 -0.97 -1.03 113.55 111.86 1ud4 h SER 33 Ca 0.11 -0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.69 1ud4 h SER 33 Cb 0.19 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.05 1ud4 h SER 33 CO -0.01 0.16 0.49 -0.78 -0.53 0.00 0.00 176.83 176.15 1ud4 h ASP 34 N 0.24 0.78 0.99 6.23 1.82 -1.16 -1.21 116.42 124.12 1ud4 h ASP 34 Ca 0.07 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1ud4 h ASP 34 Cb -0.02 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 39.80 1ud4 h ASP 34 CO -0.01 0.55 0.00 0.00 -1.61 0.00 0.00 179.24 178.16 1ud4 h ALA 35 N 1.57 1.00 0.00 -0.78 0.00 -0.70 -3.46 119.26 116.88 1ud4 h ALA 35 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1ud4 h ALA 35 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ud4 h ALA 35 CO -0.08 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.58 1ud4 n GLY 36 N 0.03 1.13 3.69 0.00 0.00 -0.46 -4.46 105.19 105.12 1ud4 n GLY 36 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ud4 n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ud4 s ILE 37 N -2.00 4.74 -0.62 -0.61 -1.09 -0.44 -4.35 121.20 116.83 1ud4 s ILE 37 Ca 0.00 2.00 0.09 0.00 -2.23 0.00 0.00 60.65 60.52 1ud4 s ILE 37 Cb 0.00 -4.29 -0.06 0.00 -1.58 0.00 0.00 42.46 36.53 1ud4 s ILE 37 CO 0.00 0.01 0.48 0.35 -1.23 0.00 0.00 174.94 174.56 1ud4 n THR 38 N 4.52 0.00 -3.72 2.92 -2.24 0.33 -4.12 114.28 111.98 1ud4 n THR 38 Ca 0.09 -0.32 -0.13 0.00 -2.27 0.00 0.00 64.05 61.41 1ud4 n THR 38 Cb 0.49 1.04 -0.09 0.00 -2.10 0.00 0.00 70.33 69.67 1ud4 n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ud4 s ALA 39 N -1.68 -1.08 -0.10 6.98 0.00 -0.93 -0.60 121.76 124.36 1ud4 s ALA 39 Ca 0.05 1.11 0.04 0.00 0.00 0.00 0.00 51.96 53.16 1ud4 s ALA 39 Cb 0.07 -0.56 -0.00 0.00 0.00 0.00 0.00 23.12 22.63 1ud4 s ALA 39 CO 0.33 -0.22 -0.24 0.42 0.00 0.00 0.00 175.76 176.05 1ud4 s ILE 40 N -0.08 2.07 -0.42 0.00 -1.09 0.63 -1.37 121.20 120.95 1ud4 s ILE 40 Ca -0.03 -1.02 -0.13 0.00 -2.23 0.00 0.00 60.65 57.24 1ud4 s ILE 40 Cb -0.03 -1.78 0.04 0.00 -1.58 0.00 0.00 42.46 39.11 1ud4 s ILE 40 CO 0.02 0.56 0.30 0.86 -1.23 0.00 0.00 174.94 175.45 1ud4 s TRP 41 N 0.30 3.25 0.30 3.97 -0.00 -0.45 -0.73 118.94 125.58 1ud4 s TRP 41 Ca -0.18 -0.90 -0.16 0.00 -0.00 0.00 0.00 56.10 54.87 1ud4 s TRP 41 Cb -0.18 -2.77 -0.09 0.00 -0.00 0.00 0.00 33.47 30.44 1ud4 s TRP 41 CO 0.09 -0.70 0.73 0.96 -0.00 0.00 0.00 176.95 178.03 1ud4 s ILE 42 N 1.61 4.67 1.03 5.86 -4.36 -0.66 -2.23 121.20 127.11 1ud4 s ILE 42 Ca 0.04 0.99 -0.13 0.00 -0.26 0.00 0.00 60.65 61.28 1ud4 s ILE 42 Cb -0.21 -3.65 0.20 0.00 1.25 0.00 0.00 42.46 40.05 1ud4 s ILE 42 CO 0.07 -0.11 1.10 -2.16 0.24 0.00 0.00 174.94 174.07 1ud4 s PRO 43 N -2.80 0.18 -0.11 0.37 0.04 -1.26 -2.55 135.00 128.87 1ud4 s PRO 43 Ca 0.52 0.42 -0.38 0.00 0.04 0.00 0.00 61.00 61.60 1ud4 s PRO 43 Cb -0.11 -1.72 -0.15 0.00 0.04 0.00 0.00 34.50 32.56 1ud4 s PRO 43 CO 0.18 -2.88 1.64 -2.30 0.04 0.00 0.00 177.00 173.68 1ud4 n PRO 44 N -4.26 1.38 -0.10 0.56 -0.02 -1.26 -4.43 135.00 126.87 1ud4 n PRO 44 Ca 0.06 0.50 0.12 0.00 -2.02 0.00 0.00 63.50 62.16 1ud4 n PRO 44 Cb 0.58 -2.20 0.27 0.00 -0.02 0.00 0.00 33.50 32.12 1ud4 n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ud4 n ALA 45 N 4.61 2.48 -2.78 3.55 0.00 -1.26 -4.74 120.51 122.36 1ud4 n ALA 45 Ca 0.23 -0.73 -0.21 0.00 0.00 0.00 0.00 53.44 52.73 1ud4 n ALA 45 Cb 0.18 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 1ud4 n ALA 45 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1ud4 s TYR 46 N -1.75 3.23 -0.01 0.00 -0.85 -1.26 -4.33 117.35 112.39 1ud4 s TYR 46 Ca 0.35 -0.11 -0.35 0.00 -0.52 0.00 0.00 57.07 56.43 1ud4 s TYR 46 Cb 0.20 -1.63 -0.14 0.00 0.38 0.00 0.00 41.96 40.78 1ud4 s TYR 46 CO 0.30 0.35 1.69 1.17 -1.52 0.00 0.00 175.55 177.53 1ud4 n LYS 47 N -1.39 1.89 -1.43 -3.49 3.00 0.18 -4.86 118.16 112.05 1ud4 n LYS 47 Ca -0.06 0.69 -0.04 0.00 -0.00 0.00 0.00 58.31 58.89 1ud4 n LYS 47 Cb 0.58 -2.46 0.02 0.00 0.00 0.00 0.00 35.03 33.16 1ud4 n LYS 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ud4 n GLY 48 N 3.79 1.89 0.36 3.14 0.00 -1.26 -1.00 105.19 112.11 1ud4 n GLY 48 Ca 0.21 -2.14 0.17 0.00 0.00 0.00 0.00 46.02 44.25 1ud4 n GLY 48 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1ud4 h ASN 49 N 0.02 0.13 -5.26 1.61 -0.73 -0.77 -3.41 115.58 107.18 1ud4 h ASN 49 Ca -0.06 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.04 1ud4 h ASN 49 Cb 0.28 -0.02 -0.10 0.00 0.27 0.00 0.00 38.32 38.75 1ud4 h ASN 49 CO 0.09 0.08 -0.18 -0.94 -0.37 0.00 0.00 177.43 176.10 1ud4 s SER 50 N -6.26 -0.06 0.26 1.15 1.04 -1.26 -4.82 113.70 103.73 1ud4 s SER 50 Ca -0.06 -0.91 -0.04 0.00 0.48 0.00 0.00 55.95 55.41 1ud4 s SER 50 Cb 0.20 0.54 0.33 0.00 0.10 0.00 0.00 66.02 67.19 1ud4 s SER 50 CO 0.73 -1.06 1.90 -0.61 0.98 0.00 0.00 173.24 175.18 1ud4 h GLN 51 N 2.33 1.22 0.00 4.02 4.15 -1.85 -2.33 115.11 122.65 1ud4 h GLN 51 Ca -0.28 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.07 1ud4 h GLN 51 Cb 1.25 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 28.66 1ud4 h GLN 51 CO 0.39 0.81 0.00 0.00 -1.93 0.00 0.00 178.83 178.10 1ud4 n ALA 52 N -2.37 2.45 -1.74 3.38 0.00 -1.26 -1.83 120.51 119.14 1ud4 n ALA 52 Ca 0.14 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 1ud4 n ALA 52 Cb 0.10 -1.47 -0.01 0.00 0.00 0.00 0.00 19.45 18.07 1ud4 n ALA 52 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ud4 n ASP 53 N -1.24 3.60 0.27 0.00 -0.08 -0.88 -4.86 116.55 113.36 1ud4 n ASP 53 Ca 0.15 1.18 0.14 0.00 -1.51 0.00 0.00 54.79 54.75 1ud4 n ASP 53 Cb 0.21 -1.57 0.75 0.00 2.34 0.00 0.00 41.12 42.85 1ud4 n ASP 53 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1ud4 h VAL 54 N 3.10 0.41 0.00 5.18 2.07 -1.90 -3.41 116.25 121.71 1ud4 h VAL 54 Ca -0.48 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1ud4 h VAL 54 Cb 1.24 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1ud4 h VAL 54 CO 0.72 0.10 0.00 0.61 0.02 0.00 0.00 177.57 179.02 1ud4 n GLY 55 N -0.54 1.35 0.11 2.17 0.00 -1.26 -4.51 105.19 102.51 1ud4 n GLY 55 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1ud4 n GLY 55 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1ud4 h TYR 56 N 0.00 0.00 -1.02 1.61 0.05 -1.93 -3.28 116.97 112.40 1ud4 h TYR 56 Ca 0.00 0.00 -0.61 0.00 0.05 0.00 0.00 58.73 58.17 1ud4 h TYR 56 Cb 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 37.60 1ud4 h TYR 56 CO 0.00 0.00 1.43 0.41 -1.05 0.00 0.00 178.16 178.95 1ud4 n GLY 57 N 1.27 4.70 3.67 3.88 0.00 -1.26 -4.91 105.19 112.55 1ud4 n GLY 57 Ca 0.04 -1.92 -0.44 0.00 0.00 0.00 0.00 46.02 43.70 1ud4 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ud4 n ALA 58 N 1.44 1.53 -0.08 4.61 0.00 -1.24 -0.09 120.51 126.68 1ud4 n ALA 58 Ca 0.56 0.27 -0.08 0.00 0.00 0.00 0.00 53.44 54.19 1ud4 n ALA 58 Cb 0.41 -2.59 -0.03 0.00 0.00 0.00 0.00 19.45 17.25 1ud4 n ALA 58 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1ud4 n TYR 59 N 6.53 0.00 -3.85 0.00 9.36 -0.17 -0.52 117.16 128.51 1ud4 n TYR 59 Ca 0.20 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 61.13 1ud4 n TYR 59 Cb 0.36 -0.45 -0.16 0.00 -0.63 0.00 0.00 39.34 38.46 1ud4 n TYR 59 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1ud4 s ASP 60 N -5.79 3.58 0.29 2.98 2.15 -0.88 -4.79 116.67 114.22 1ud4 s ASP 60 Ca -0.26 -1.14 0.23 0.00 0.43 0.00 0.00 52.55 51.82 1ud4 s ASP 60 Cb 0.04 -0.96 1.08 0.00 -0.30 0.00 0.00 42.92 42.77 1ud4 s ASP 60 CO 0.39 -0.28 1.71 0.18 -0.17 0.00 0.00 175.17 176.99 1ud4 n LEU 61 N 4.81 0.66 -0.62 -1.34 4.77 -1.26 -2.02 117.00 121.99 1ud4 n LEU 61 Ca -0.09 0.71 0.12 0.00 -0.03 0.00 0.00 56.01 56.72 1ud4 n LEU 61 Cb 0.45 -0.68 0.19 0.00 -2.33 0.00 0.00 43.42 41.06 1ud4 n LEU 61 CO 0.16 -0.72 0.58 -1.22 -1.33 0.00 0.00 177.39 174.86 1ud4 n TYR 62 N -2.28 0.00 -3.58 -1.77 4.01 -1.26 -4.75 117.16 107.52 1ud4 n TYR 62 Ca 0.01 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.34 1ud4 n TYR 62 Cb 0.16 -0.02 -0.09 0.00 -0.31 0.00 0.00 39.34 39.08 1ud4 n TYR 62 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1ud4 s ASP 63 N -2.22 5.65 -0.47 7.72 -1.08 -0.86 -4.95 116.67 120.46 1ud4 s ASP 63 Ca 0.27 -1.91 -0.00 0.00 -0.52 0.00 0.00 52.55 50.39 1ud4 s ASP 63 Cb 0.20 -1.99 0.40 0.00 -1.46 0.00 0.00 42.92 40.07 1ud4 s ASP 63 CO 0.42 -0.67 1.94 0.18 0.52 0.00 0.00 175.17 177.56 1ud4 n LEU 64 N 4.87 6.81 -0.47 -1.34 4.77 -1.26 0.47 117.00 130.85 1ud4 n LEU 64 Ca -0.07 -3.65 0.00 0.00 -0.03 0.00 0.00 56.01 52.26 1ud4 n LEU 64 Cb 0.41 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 1ud4 n LEU 64 CO 0.42 1.24 0.00 0.61 -1.33 0.00 0.00 177.39 178.32 1ud4 n GLY 65 N -0.50 0.81 0.00 -0.72 0.00 -1.26 -2.20 105.19 101.33 1ud4 n GLY 65 Ca 0.48 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1ud4 n GLY 65 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ud4 n GLU 66 N -0.47 1.70 -4.39 1.61 2.13 -1.23 -1.93 120.64 118.07 1ud4 n GLU 66 Ca 0.00 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.54 1ud4 n GLU 66 Cb 0.36 -0.92 -0.13 0.00 0.27 0.00 0.00 31.44 31.02 1ud4 n GLU 66 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1ud4 s PHE 67 N -1.71 2.25 -0.85 4.31 0.08 -1.26 -5.00 117.98 115.79 1ud4 s PHE 67 Ca 0.00 -0.38 -0.25 0.00 0.12 0.00 0.00 56.93 56.42 1ud4 s PHE 67 Cb 0.00 -1.20 0.04 0.00 -0.57 0.00 0.00 43.02 41.29 1ud4 s PHE 67 CO 0.00 0.36 1.36 1.21 -0.10 0.00 0.00 175.22 178.05 1ud4 s ASN 68 N -2.18 6.28 0.01 1.36 3.84 -1.26 -4.15 114.94 118.84 1ud4 s ASN 68 Ca 0.15 -0.85 -0.07 0.00 0.21 0.00 0.00 52.86 52.29 1ud4 s ASN 68 Cb -0.09 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.04 1ud4 s ASN 68 CO 0.07 -1.72 0.13 -1.10 -2.79 0.00 0.00 177.10 171.69 1ud4 s GLN 69 N 5.46 0.49 -1.79 0.43 -0.21 -0.36 -4.31 119.66 119.37 1ud4 s GLN 69 Ca 0.40 -0.43 0.00 0.00 0.02 0.00 0.00 55.36 55.35 1ud4 s GLN 69 Cb -0.05 0.20 0.00 0.00 1.00 0.00 0.00 33.01 34.17 1ud4 s GLN 69 CO 0.05 -0.12 0.00 1.63 -2.12 0.00 0.00 175.29 174.73 1ud4 n LYS 70 N 1.39 -1.67 -0.92 2.91 4.76 -1.26 -2.47 118.16 120.89 1ud4 n LYS 70 Ca -0.23 1.02 0.00 0.00 -2.87 0.00 0.00 58.31 56.23 1ud4 n LYS 70 Cb 0.56 -5.68 0.00 0.00 -1.84 0.00 0.00 35.03 28.07 1ud4 n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ud4 n GLY 71 N -1.02 0.45 3.51 0.72 0.00 -1.26 -4.19 105.19 103.40 1ud4 n GLY 71 Ca -0.25 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 1ud4 n GLY 71 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ud4 s THR 72 N -2.00 0.00 -0.11 2.61 -1.32 -1.03 -4.86 115.64 108.93 1ud4 s THR 72 Ca 0.00 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.39 1ud4 s THR 72 Cb 0.00 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.96 1ud4 s THR 72 CO 0.00 0.00 -0.17 0.52 -2.21 0.00 0.00 174.62 172.76 1ud4 n VAL 73 N -0.14 1.06 -1.15 5.08 0.31 -1.26 -1.22 118.33 121.00 1ud4 n VAL 73 Ca -0.09 0.27 -0.31 0.00 -0.01 0.00 0.00 64.34 64.21 1ud4 n VAL 73 Cb 0.61 -2.15 0.11 0.00 -0.91 0.00 0.00 33.84 31.51 1ud4 n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ud4 s ARG 74 N -2.08 1.92 0.35 5.55 1.70 -1.26 -3.51 118.95 121.61 1ud4 s ARG 74 Ca -0.14 1.19 -0.01 0.00 -0.47 0.00 0.00 55.73 56.30 1ud4 s ARG 74 Cb 0.02 -1.86 0.07 0.00 -0.57 0.00 0.00 34.95 32.61 1ud4 s ARG 74 CO 0.21 -1.89 0.48 0.25 -1.08 0.00 0.00 175.30 173.27 1ud4 n THR 75 N -3.69 0.00 0.13 4.99 -2.24 -0.73 -4.85 114.28 107.88 1ud4 n THR 75 Ca 0.09 -0.72 0.08 0.00 -2.27 0.00 0.00 64.05 61.23 1ud4 n THR 75 Cb 0.53 -1.19 0.56 0.00 -2.10 0.00 0.00 70.33 68.13 1ud4 n THR 75 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1ud4 h LYS 76 N 0.00 0.21 0.00 -0.78 3.64 -1.59 -2.94 116.57 115.12 1ud4 h LYS 76 Ca -0.16 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.17 1ud4 h LYS 76 Cb 0.57 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1ud4 h LYS 76 CO 0.17 0.14 -0.77 1.88 -2.27 0.00 0.00 179.45 178.60 1ud4 h TYR 77 N 0.22 0.00 0.00 1.91 0.05 -1.89 -2.76 116.97 114.50 1ud4 h TYR 77 Ca 0.09 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.87 1ud4 h TYR 77 Cb 0.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.83 1ud4 h TYR 77 CO -0.00 0.16 0.00 0.41 -1.05 0.00 0.00 178.16 177.68 1ud4 n GLY 78 N 1.20 0.53 3.94 3.88 0.00 -1.11 -1.61 105.19 112.02 1ud4 n GLY 78 Ca -0.01 -1.78 -0.25 0.00 0.00 0.00 0.00 46.02 43.99 1ud4 n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ud4 s THR 79 N -2.17 2.66 0.18 2.61 -4.23 -1.26 -1.78 115.64 111.65 1ud4 s THR 79 Ca 0.00 -0.33 -0.11 0.00 -1.18 0.00 0.00 61.69 60.07 1ud4 s THR 79 Cb 0.00 -3.09 0.09 0.00 1.34 0.00 0.00 72.50 70.84 1ud4 s THR 79 CO 0.00 -0.09 1.76 0.50 -0.54 0.00 0.00 174.62 176.25 1ud4 h LYS 80 N -0.33 0.93 -0.69 3.99 3.64 -0.89 -1.82 116.57 121.39 1ud4 h LYS 80 Ca -0.44 -0.15 -0.06 0.00 -1.27 0.00 0.00 60.65 58.74 1ud4 h LYS 80 Cb 1.30 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.93 1ud4 h LYS 80 CO 0.58 0.75 0.21 0.00 -2.27 0.00 0.00 179.45 178.73 1ud4 h ALA 81 N 1.13 1.06 -0.47 5.00 0.00 -1.87 -1.40 119.26 122.71 1ud4 h ALA 81 Ca 0.22 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1ud4 h ALA 81 Cb 0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1ud4 h ALA 81 CO -0.02 0.63 -0.15 1.96 0.00 0.00 0.00 179.25 181.67 1ud4 h GLN 82 N 1.03 0.90 -0.32 0.00 4.20 -1.89 -1.73 115.11 117.30 1ud4 h GLN 82 Ca 0.23 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 1ud4 h GLN 82 Cb 0.30 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 1ud4 h GLN 82 CO -0.01 0.99 0.18 1.25 -0.67 0.00 0.00 178.83 180.57 1ud4 h LEU 83 N 0.80 0.40 -1.13 1.46 5.85 -0.94 0.00 115.31 121.75 1ud4 h LEU 83 Ca 0.12 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1ud4 h LEU 83 Cb 0.68 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1ud4 h LEU 83 CO 0.05 0.37 0.02 -0.33 -0.34 0.00 0.00 178.44 178.21 1ud4 h GLU 84 N 0.40 0.63 -0.41 1.25 5.08 -1.13 -0.13 114.58 120.27 1ud4 h GLU 84 Ca 0.11 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1ud4 h GLU 84 Cb 0.05 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1ud4 h GLU 84 CO -0.02 0.63 -0.09 -0.09 -1.00 0.00 0.00 179.01 178.44 1ud4 h ARG 85 N 0.60 0.79 -0.48 2.33 2.43 -0.93 -0.80 114.38 118.32 1ud4 h ARG 85 Ca 0.13 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 58.99 1ud4 h ARG 85 Cb 0.35 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 1ud4 h ARG 85 CO 0.01 0.91 0.25 0.00 -1.51 0.00 0.00 179.97 179.64 1ud4 h ALA 86 N 0.85 0.61 -0.80 2.80 0.00 -0.43 -1.39 119.26 120.90 1ud4 h ALA 86 Ca 0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1ud4 h ALA 86 Cb 0.62 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1ud4 h ALA 86 CO 0.04 0.15 0.38 0.82 0.00 0.00 0.00 179.25 180.63 1ud4 h ILE 87 N 0.63 1.25 -0.67 0.00 2.04 -0.88 -0.72 117.51 119.16 1ud4 h ILE 87 Ca 0.17 -0.72 0.03 0.00 1.00 0.00 0.00 64.86 65.34 1ud4 h ILE 87 Cb 0.07 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.35 1ud4 h ILE 87 CO -0.03 0.30 0.42 1.23 0.00 0.00 0.00 178.15 180.08 1ud4 h GLY 88 N 1.13 0.96 1.06 5.37 0.00 -0.68 -0.15 103.07 110.77 1ud4 h GLY 88 Ca 0.27 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 1ud4 h GLY 88 CO -0.03 0.27 0.29 0.23 0.00 0.00 0.00 176.54 177.30 1ud4 h SER 89 N 0.83 1.10 -0.54 0.19 0.87 -0.63 -1.71 113.55 113.66 1ud4 h SER 89 Ca 0.27 -0.19 -0.06 0.00 -1.23 0.00 0.00 61.79 60.58 1ud4 h SER 89 Cb 0.01 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 1ud4 h SER 89 CO -0.10 0.99 0.12 -0.07 -0.53 0.00 0.00 176.83 177.24 1ud4 h LEU 90 N 1.15 0.82 -0.15 2.23 3.38 -0.41 -2.49 115.31 119.84 1ud4 h LEU 90 Ca 0.26 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ud4 h LEU 90 Cb 0.26 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1ud4 h LEU 90 CO -0.02 0.85 0.08 0.11 0.09 0.00 0.00 178.44 179.55 1ud4 h LYS 91 N 0.76 0.16 0.00 1.13 1.79 -0.72 -1.15 116.57 118.54 1ud4 h LYS 91 Ca 0.17 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1ud4 h LYS 91 Cb 0.36 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1ud4 h LYS 91 CO 0.00 0.11 0.00 0.66 -1.08 0.00 0.00 179.45 179.14 1ud4 h SER 92 N 0.17 0.00 -0.54 0.86 4.64 -1.21 -1.91 113.55 115.55 1ud4 h SER 92 Ca 0.06 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1ud4 h SER 92 Cb 0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1ud4 h SER 92 CO -0.04 0.00 0.02 0.59 -0.87 0.00 0.00 176.83 176.53 1ud4 n ASN 93 N -2.85 5.43 -3.58 4.97 3.02 -0.67 -4.96 115.26 116.62 1ud4 n ASN 93 Ca -0.01 -2.97 -0.20 0.00 -0.03 0.00 0.00 54.58 51.37 1ud4 n ASN 93 Cb 0.18 -0.67 0.05 0.00 -0.61 0.00 0.00 39.78 38.73 1ud4 n ASN 93 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1ud4 n ASP 94 N 0.40 -2.28 -4.02 6.41 8.00 -0.72 -4.78 116.55 119.56 1ud4 n ASP 94 Ca 0.28 -0.77 -0.26 0.00 0.71 0.00 0.00 54.79 54.75 1ud4 n ASP 94 Cb 1.17 -4.40 -0.17 0.00 -0.02 0.00 0.00 41.12 37.71 1ud4 n ASP 94 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ud4 s ILE 95 N -3.55 1.20 0.47 0.53 1.01 -0.52 -4.81 121.20 115.54 1ud4 s ILE 95 Ca 0.09 -0.49 -0.20 0.00 0.00 0.00 0.00 60.65 60.04 1ud4 s ILE 95 Cb -0.02 -1.11 -0.09 0.00 0.01 0.00 0.00 42.46 41.25 1ud4 s ILE 95 CO 0.79 0.38 1.00 0.20 0.00 0.00 0.00 174.94 177.30 1ud4 s ASN 96 N 0.85 6.57 -0.21 3.58 0.01 0.23 -4.04 114.94 121.93 1ud4 s ASN 96 Ca -0.11 1.81 -0.00 0.00 -0.71 0.00 0.00 52.86 53.85 1ud4 s ASN 96 Cb -0.15 -2.55 0.02 0.00 0.41 0.00 0.00 41.25 38.98 1ud4 s ASN 96 CO 0.01 -0.62 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.16 1ud4 s VAL 97 N -2.11 2.48 -0.19 1.60 1.01 -1.26 -0.26 120.40 121.66 1ud4 s VAL 97 Ca 0.65 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 1ud4 s VAL 97 Cb -0.13 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 1ud4 s VAL 97 CO 0.18 0.41 -0.02 -0.31 0.00 0.00 0.00 175.10 175.36 1ud4 s TYR 98 N 1.32 3.01 -0.07 5.22 2.02 0.09 -0.58 117.35 128.36 1ud4 s TYR 98 Ca 0.03 -0.53 -0.15 0.00 -0.37 0.00 0.00 57.07 56.05 1ud4 s TYR 98 Cb -0.14 -2.06 -0.05 0.00 -0.40 0.00 0.00 41.96 39.31 1ud4 s TYR 98 CO -0.09 -0.26 0.38 0.20 -1.57 0.00 0.00 175.55 174.21 1ud4 s GLY 99 N 0.96 2.39 0.10 0.71 0.00 -0.72 -1.65 107.32 109.11 1ud4 s GLY 99 Ca 0.01 -0.28 -0.31 0.00 0.00 0.00 0.00 44.72 44.14 1ud4 s GLY 99 CO 0.01 0.32 1.28 -0.35 0.00 0.00 0.00 173.10 174.36 1ud4 s ASP 100 N -0.38 6.97 -0.22 1.64 -1.08 -1.06 -1.42 116.67 121.13 1ud4 s ASP 100 Ca 0.22 2.17 0.01 0.00 -0.52 0.00 0.00 52.55 54.43 1ud4 s ASP 100 Cb -0.15 -2.59 0.03 0.00 -1.46 0.00 0.00 42.92 38.75 1ud4 s ASP 100 CO 0.10 -0.53 -0.14 -0.69 0.52 0.00 0.00 175.17 174.43 1ud4 s VAL 101 N 0.91 2.31 -0.43 1.11 1.01 0.50 -4.48 120.40 121.33 1ud4 s VAL 101 Ca 0.60 -1.12 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 1ud4 s VAL 101 Cb -0.33 -2.12 0.10 0.00 0.00 0.00 0.00 36.38 34.03 1ud4 s VAL 101 CO 0.31 0.32 0.27 -0.69 0.00 0.00 0.00 175.10 175.30 1ud4 s VAL 102 N 1.26 3.96 0.00 2.92 1.01 -1.26 -1.34 120.40 126.94 1ud4 s VAL 102 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 61.98 60.31 1ud4 s VAL 102 Cb -0.16 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1ud4 s VAL 102 CO -0.09 -0.62 0.70 0.23 0.00 0.00 0.00 175.10 175.32 1ud4 n MET 103 N 4.83 1.15 0.09 2.72 2.81 -1.26 -4.75 117.12 122.71 1ud4 n MET 103 Ca -0.08 -0.95 -0.07 0.00 -1.81 0.00 0.00 57.70 54.80 1ud4 n MET 103 Cb 0.42 -0.90 0.05 0.00 -0.71 0.00 0.00 33.22 32.08 1ud4 n MET 103 CO 0.00 0.00 0.00 -0.97 1.51 0.00 0.00 175.97 176.51 1ud4 h ASN 104 N 0.00 0.23 -5.12 7.83 -1.24 -1.90 -3.45 115.58 111.91 1ud4 h ASN 104 Ca 0.00 -0.16 -0.08 0.00 0.71 0.00 0.00 56.30 56.77 1ud4 h ASN 104 Cb 0.40 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.37 1ud4 h ASN 104 CO 0.00 0.90 0.16 -1.38 -1.29 0.00 0.00 177.43 175.82 1ud4 s HIS 105 N -3.42 0.34 0.08 0.67 -3.43 -1.26 -2.44 115.29 105.82 1ud4 s HIS 105 Ca -0.03 -0.90 0.02 0.00 -0.80 0.00 0.00 55.06 53.35 1ud4 s HIS 105 Cb 0.11 0.62 -0.04 0.00 -1.43 0.00 0.00 32.58 31.84 1ud4 s HIS 105 CO 0.81 -1.46 -0.07 0.15 -2.00 0.00 0.00 174.74 172.16 1ud4 s LYS 106 N -2.53 0.73 0.14 -0.38 1.02 -0.88 -4.81 119.74 113.04 1ud4 s LYS 106 Ca 0.19 -1.12 -0.05 0.00 0.02 0.00 0.00 55.97 55.01 1ud4 s LYS 106 Cb -0.04 -0.27 -0.02 0.00 -0.52 0.00 0.00 37.83 36.98 1ud4 s LYS 106 CO 0.13 0.02 0.17 -1.64 -0.92 0.00 0.00 175.35 173.11 1ud4 s MET 107 N -2.94 1.02 -0.38 1.68 -1.94 0.32 -1.57 119.30 115.49 1ud4 s MET 107 Ca 0.04 -1.28 0.00 0.00 -1.71 0.00 0.00 55.69 52.73 1ud4 s MET 107 Cb -0.01 0.31 0.00 0.00 2.01 0.00 0.00 34.83 37.14 1ud4 s MET 107 CO -0.02 -0.33 0.00 0.41 -0.01 0.00 0.00 175.02 175.06 1ud4 n GLY 108 N -0.14 0.27 3.59 -0.03 0.00 -1.26 -3.69 105.19 103.93 1ud4 n GLY 108 Ca -0.07 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 1ud4 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ud4 n ALA 109 N -0.87 -0.06 0.20 4.61 0.00 -1.26 -4.88 120.51 118.25 1ud4 n ALA 109 Ca -0.05 0.30 0.06 0.00 0.00 0.00 0.00 53.44 53.75 1ud4 n ALA 109 Cb 0.48 -2.04 0.44 0.00 0.00 0.00 0.00 19.45 18.33 1ud4 n ALA 109 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ud4 h ASP 110 N 1.73 0.00 -5.04 0.00 3.32 -0.48 -3.46 116.42 112.49 1ud4 h ASP 110 Ca -0.42 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.60 1ud4 h ASP 110 Cb 1.34 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.77 1ud4 h ASP 110 CO 0.58 0.31 0.09 0.72 -1.72 0.00 0.00 179.24 179.22 1ud4 s PHE 111 N -4.07 -0.36 0.36 4.55 -0.12 -0.89 -5.02 117.98 112.42 1ud4 s PHE 111 Ca -0.02 0.09 -0.00 0.00 -0.05 0.00 0.00 56.93 56.94 1ud4 s PHE 111 Cb 0.13 0.43 -0.03 0.00 -0.63 0.00 0.00 43.02 42.92 1ud4 s PHE 111 CO 0.68 -0.81 0.57 0.95 -0.05 0.00 0.00 175.22 176.57 1ud4 s THR 112 N -3.79 5.08 0.04 -4.49 -4.23 -1.26 -1.33 115.64 105.66 1ud4 s THR 112 Ca 0.03 -0.36 0.02 0.00 -1.18 0.00 0.00 61.69 60.20 1ud4 s THR 112 Cb -0.00 -3.86 -0.02 0.00 1.34 0.00 0.00 72.50 69.96 1ud4 s THR 112 CO -0.11 -0.58 -0.08 -1.61 -0.54 0.00 0.00 174.62 171.70 1ud4 s GLU 113 N -4.32 0.54 -0.05 3.99 2.02 -0.29 -4.86 118.70 115.73 1ud4 s GLU 113 Ca 0.41 -0.71 -0.30 0.00 0.02 0.00 0.00 54.97 54.39 1ud4 s GLU 113 Cb -0.10 -0.34 -0.03 0.00 0.10 0.00 0.00 34.13 33.76 1ud4 s GLU 113 CO 0.37 0.07 1.11 0.00 0.02 0.00 0.00 175.26 176.83 1ud4 s ALA 114 N -1.24 3.42 -0.01 5.21 0.00 -1.26 -1.27 121.76 126.59 1ud4 s ALA 114 Ca -0.08 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.44 1ud4 s ALA 114 Cb -0.09 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.58 1ud4 s ALA 114 CO 0.00 -0.62 -0.02 0.08 0.00 0.00 0.00 175.76 175.21 1ud4 s VAL 115 N 1.89 0.22 -0.05 0.00 1.01 0.80 -4.95 120.40 119.32 1ud4 s VAL 115 Ca 0.53 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.18 1ud4 s VAL 115 Cb -0.23 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 1ud4 s VAL 115 CO 0.22 0.10 1.12 -1.10 0.00 0.00 0.00 175.10 175.45 1ud4 s GLN 116 N 0.42 4.40 0.15 2.72 -1.52 -1.26 -0.84 119.66 123.73 1ud4 s GLN 116 Ca -0.04 1.58 -0.11 0.00 -1.95 0.00 0.00 55.36 54.84 1ud4 s GLN 116 Cb -0.07 -3.52 0.00 0.00 -0.22 0.00 0.00 33.01 29.21 1ud4 s GLN 116 CO -0.01 -0.34 0.31 0.00 -0.25 0.00 0.00 175.29 175.00 1ud4 s ALA 117 N 1.88 -0.26 0.06 6.09 0.00 -0.16 -0.41 121.76 128.96 1ud4 s ALA 117 Ca 0.54 -0.66 0.08 0.00 0.00 0.00 0.00 51.96 51.91 1ud4 s ALA 117 Cb -0.23 0.78 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 1ud4 s ALA 117 CO 0.22 -0.65 -0.21 0.14 0.00 0.00 0.00 175.76 175.27 1ud4 s VAL 118 N -3.92 1.70 0.27 0.00 -7.23 -0.19 -1.50 120.40 109.53 1ud4 s VAL 118 Ca 0.13 -1.33 -0.26 0.00 -1.81 0.00 0.00 61.98 58.71 1ud4 s VAL 118 Cb 0.03 -1.50 -0.09 0.00 0.56 0.00 0.00 36.38 35.37 1ud4 s VAL 118 CO -0.03 0.12 0.89 -1.10 -0.31 0.00 0.00 175.10 174.66 1ud4 s GLN 119 N -1.44 4.58 0.29 4.82 -0.21 -1.26 -1.16 119.66 125.28 1ud4 s GLN 119 Ca 0.07 1.26 0.08 0.00 0.02 0.00 0.00 55.36 56.79 1ud4 s GLN 119 Cb -0.09 -2.97 -0.06 0.00 1.00 0.00 0.00 33.01 30.89 1ud4 s GLN 119 CO 0.03 0.38 -0.08 0.14 -2.12 0.00 0.00 175.29 173.64 1ud4 s VAL 120 N -1.45 1.87 -0.11 1.09 -7.23 0.02 0.16 120.40 114.75 1ud4 s VAL 120 Ca 0.45 -2.17 -0.29 0.00 -1.81 0.00 0.00 61.98 58.16 1ud4 s VAL 120 Cb -0.20 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 1ud4 s VAL 120 CO 0.25 -0.30 1.58 0.21 -0.31 0.00 0.00 175.10 176.54 1ud4 s ASN 121 N -3.48 6.65 0.51 4.85 3.84 0.66 -4.50 114.94 123.46 1ud4 s ASN 121 Ca 0.30 2.02 0.23 0.00 0.21 0.00 0.00 52.86 55.62 1ud4 s ASN 121 Cb 0.02 -2.53 1.32 0.00 -0.55 0.00 0.00 41.25 39.51 1ud4 s ASN 121 CO 0.13 -0.97 1.98 -0.65 -2.79 0.00 0.00 177.10 174.80 1ud4 h PRO 122 N 9.58 0.09 -0.24 0.43 0.11 -1.93 0.12 132.00 140.16 1ud4 h PRO 122 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1ud4 h PRO 122 Cb 1.16 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1ud4 h PRO 122 CO 0.97 0.06 0.00 0.25 -0.21 0.00 0.00 178.00 179.07 1ud4 n THR 123 N -4.40 0.30 -2.89 -1.15 -2.24 -1.26 -4.59 114.28 98.04 1ud4 n THR 123 Ca 0.11 -0.57 -0.02 0.00 -2.27 0.00 0.00 64.05 61.30 1ud4 n THR 123 Cb 0.59 0.90 0.01 0.00 -2.10 0.00 0.00 70.33 69.73 1ud4 n THR 123 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ud4 s ASN 124 N -1.64 -1.38 0.10 3.42 2.47 0.36 -3.98 114.94 114.29 1ud4 s ASN 124 Ca 0.35 -1.33 0.09 0.00 0.42 0.00 0.00 52.86 52.40 1ud4 s ASN 124 Cb 0.21 1.79 0.46 0.00 -1.45 0.00 0.00 41.25 42.26 1ud4 s ASN 124 CO 0.30 -0.08 1.29 0.54 -3.72 0.00 0.00 177.10 175.42 1ud4 n ARG 125 N 3.39 0.05 0.22 0.43 3.00 -0.32 -0.84 116.66 122.58 1ud4 n ARG 125 Ca 0.15 0.50 0.11 0.00 -0.01 0.00 0.00 57.85 58.60 1ud4 n ARG 125 Cb 0.57 -1.65 0.34 0.00 0.00 0.00 0.00 32.46 31.72 1ud4 n ARG 125 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.63 176.14 1ud4 h TRP 126 N 0.00 0.00 -3.65 -1.55 -0.00 -1.85 -3.44 115.95 105.47 1ud4 h TRP 126 Ca 0.00 0.00 -0.68 0.00 -0.00 0.00 0.00 58.89 58.21 1ud4 h TRP 126 Cb 0.06 0.00 -0.19 0.00 -0.00 0.00 0.00 29.16 29.03 1ud4 h TRP 126 CO 0.00 0.16 -0.38 -1.14 -0.00 0.00 0.00 178.44 177.08 1ud4 s GLN 127 N -3.39 3.40 0.43 0.49 0.74 -0.02 -5.03 119.66 116.28 1ud4 s GLN 127 Ca 0.03 -0.63 -0.24 0.00 0.05 0.00 0.00 55.36 54.57 1ud4 s GLN 127 Cb 0.08 -3.85 -0.08 0.00 1.10 0.00 0.00 33.01 30.26 1ud4 s GLN 127 CO 0.65 -0.56 1.14 -0.51 -0.55 0.00 0.00 175.29 175.46 1ud4 s ASP 128 N 1.73 6.42 -0.03 6.67 1.01 -1.26 -0.25 116.67 130.96 1ud4 s ASP 128 Ca 0.09 2.26 0.04 0.00 0.71 0.00 0.00 52.55 55.64 1ud4 s ASP 128 Cb -0.17 -2.60 0.06 0.00 1.01 0.00 0.00 42.92 41.22 1ud4 s ASP 128 CO 0.11 -0.74 0.93 2.30 0.21 0.00 0.00 175.17 177.98 1ud4 n ILE 129 N -0.21 0.91 -3.60 0.77 -5.35 0.12 -4.77 119.36 107.24 1ud4 n ILE 129 Ca 0.06 -0.99 -0.10 0.00 -0.27 0.00 0.00 62.75 61.44 1ud4 n ILE 129 Cb 0.48 0.44 -0.03 0.00 -1.74 0.00 0.00 39.64 38.79 1ud4 n ILE 129 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1ud4 s SER 130 N -1.20 -0.40 0.80 7.28 1.04 -1.20 -4.91 113.70 115.11 1ud4 s SER 130 Ca 0.07 -0.26 -0.10 0.00 0.48 0.00 0.00 55.95 56.13 1ud4 s SER 130 Cb 0.06 0.60 0.10 0.00 0.10 0.00 0.00 66.02 66.88 1ud4 s SER 130 CO 0.01 -1.04 1.14 -0.83 0.98 0.00 0.00 173.24 173.50 1ud4 s GLY 131 N -2.82 1.67 0.38 7.32 0.00 -1.26 -4.38 107.32 108.23 1ud4 s GLY 131 Ca 0.05 -0.89 -0.25 0.00 0.00 0.00 0.00 44.72 43.63 1ud4 s GLY 131 CO -0.07 -0.38 1.06 0.00 0.00 0.00 0.00 173.10 173.71 1ud4 s ALA 132 N -3.50 3.13 0.24 3.20 0.00 -1.26 -4.53 121.76 119.04 1ud4 s ALA 132 Ca 0.64 0.74 -0.21 0.00 0.00 0.00 0.00 51.96 53.12 1ud4 s ALA 132 Cb -0.09 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.78 1ud4 s ALA 132 CO 0.48 -0.22 0.67 1.52 0.00 0.00 0.00 175.76 178.22 1ud4 s TYR 133 N -1.58 -0.29 -0.11 0.00 -0.85 -0.56 -4.92 117.35 109.04 1ud4 s TYR 133 Ca 0.56 -0.09 -0.21 0.00 -0.52 0.00 0.00 57.07 56.80 1ud4 s TYR 133 Cb -0.24 0.65 -0.04 0.00 0.38 0.00 0.00 41.96 42.72 1ud4 s TYR 133 CO 0.30 -1.11 0.61 0.99 -1.52 0.00 0.00 175.55 174.82 1ud4 s THR 134 N -3.87 5.09 0.33 -3.49 2.01 -1.26 -0.99 115.64 113.46 1ud4 s THR 134 Ca 0.08 1.22 0.07 0.00 0.31 0.00 0.00 61.69 63.38 1ud4 s THR 134 Cb -0.04 -3.94 -0.06 0.00 0.01 0.00 0.00 72.50 68.46 1ud4 s THR 134 CO 0.01 0.25 -0.05 0.27 -0.69 0.00 0.00 174.62 174.41 1ud4 s ILE 135 N 0.94 1.85 -0.27 1.82 -4.36 -0.02 -4.91 121.20 116.25 1ud4 s ILE 135 Ca 0.32 -2.12 -0.06 0.00 -0.26 0.00 0.00 60.65 58.53 1ud4 s ILE 135 Cb -0.16 -2.64 -0.00 0.00 1.25 0.00 0.00 42.46 40.90 1ud4 s ILE 135 CO 0.14 -0.18 0.05 -1.81 0.24 0.00 0.00 174.94 173.38 1ud4 s ASP 136 N -3.55 4.96 -0.00 4.36 1.01 -1.26 -0.14 116.67 122.05 1ud4 s ASP 136 Ca 0.32 -0.56 0.05 0.00 0.71 0.00 0.00 52.55 53.07 1ud4 s ASP 136 Cb 0.05 -1.86 -0.03 0.00 1.01 0.00 0.00 42.92 42.09 1ud4 s ASP 136 CO 0.15 -0.13 -0.16 0.00 0.21 0.00 0.00 175.17 175.23 1ud4 s ALA 137 N 1.51 2.61 -1.15 5.23 0.00 -0.40 -0.25 121.76 129.31 1ud4 s ALA 137 Ca 0.04 -1.09 -0.21 0.00 0.00 0.00 0.00 51.96 50.70 1ud4 s ALA 137 Cb -0.16 -0.84 0.05 0.00 0.00 0.00 0.00 23.12 22.16 1ud4 s ALA 137 CO 0.01 0.57 1.64 -1.58 0.00 0.00 0.00 175.76 176.40 1ud4 s TRP 138 N -0.82 2.57 0.00 0.00 0.52 -1.26 -1.14 118.94 118.80 1ud4 s TRP 138 Ca 0.13 -1.04 0.00 0.00 0.02 0.00 0.00 56.10 55.21 1ud4 s TRP 138 Cb -0.11 -4.65 0.00 0.00 -1.15 0.00 0.00 33.47 27.57 1ud4 s TRP 138 CO 0.03 -1.82 0.19 0.25 0.02 0.00 0.00 176.95 175.61 1ud4 n THR 139 N 6.77 0.00 -3.20 2.01 -2.24 -1.20 -4.55 114.28 111.88 1ud4 n THR 139 Ca 0.42 -0.47 -0.41 0.00 -2.27 0.00 0.00 64.05 61.31 1ud4 n THR 139 Cb 0.48 1.02 -0.07 0.00 -2.10 0.00 0.00 70.33 69.66 1ud4 n THR 139 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ud4 s GLY 140 N -0.57 1.79 -0.17 3.38 0.00 -0.44 -3.32 107.32 107.98 1ud4 s GLY 140 Ca 0.00 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 43.78 1ud4 s GLY 140 CO 0.00 1.34 -0.19 -1.36 0.00 0.00 0.00 173.10 172.89 1ud4 s PHE 141 N 2.50 2.67 -0.22 1.90 0.40 -0.78 0.35 117.98 124.81 1ud4 s PHE 141 Ca 0.21 -1.55 0.06 0.00 -0.60 0.00 0.00 56.93 55.05 1ud4 s PHE 141 Cb -0.15 -1.86 -0.08 0.00 0.51 0.00 0.00 43.02 41.44 1ud4 s PHE 141 CO 0.14 -0.77 0.23 -0.25 0.70 0.00 0.00 175.22 175.27 1ud4 n ASP 142 N 4.58 1.10 -3.97 1.36 8.00 -1.26 -2.59 116.55 123.77 1ud4 n ASP 142 Ca -0.20 -0.49 -0.29 0.00 0.71 0.00 0.00 54.79 54.53 1ud4 n ASP 142 Cb 0.50 1.07 -0.00 0.00 -0.02 0.00 0.00 41.12 42.67 1ud4 n ASP 142 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1ud4 n PHE 143 N -1.29 -1.87 -0.36 1.24 3.72 -1.26 -4.88 117.46 112.76 1ud4 n PHE 143 Ca 0.01 0.81 -0.10 0.00 -0.05 0.00 0.00 57.45 58.12 1ud4 n PHE 143 Cb 0.11 -3.71 -0.09 0.00 -0.94 0.00 0.00 39.48 34.86 1ud4 n PHE 143 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1ud4 h SER 144 N -1.82 -1.91 0.02 4.37 0.02 -1.95 -0.45 113.55 111.82 1ud4 h SER 144 Ca -0.61 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1ud4 h SER 144 Cb 1.37 0.84 0.00 0.00 0.14 0.00 0.00 62.40 64.76 1ud4 h SER 144 CO 0.67 -0.21 0.00 0.61 -1.14 0.00 0.00 176.83 176.75 1ud4 n GLY 145 N -1.23 -0.82 0.14 -3.77 0.00 -1.26 -1.73 105.19 96.52 1ud4 n GLY 145 Ca 0.01 0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.32 1ud4 n GLY 145 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ud4 h ARG 146 N 0.00 0.00 -6.43 1.61 2.43 -1.39 -3.41 114.38 107.20 1ud4 h ARG 146 Ca 0.00 0.00 -0.49 0.00 -0.81 0.00 0.00 59.98 58.68 1ud4 h ARG 146 Cb 0.01 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.49 1ud4 h ARG 146 CO 0.00 0.00 -0.83 -1.71 -1.51 0.00 0.00 179.97 175.92 1ud4 n ASN 147 N -2.77 -2.39 -0.65 -3.80 5.15 -0.71 -1.74 115.26 108.35 1ud4 n ASN 147 Ca 0.01 -0.91 -0.08 0.00 -0.60 0.00 0.00 54.58 53.00 1ud4 n ASN 147 Cb 0.54 -3.40 -0.04 0.00 -0.53 0.00 0.00 39.78 36.35 1ud4 n ASN 147 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1ud4 n ASN 148 N -2.88 -5.53 -4.77 1.20 3.02 -1.26 -4.96 115.26 100.08 1ud4 n ASN 148 Ca -0.12 0.21 -0.40 0.00 -0.03 0.00 0.00 54.58 54.23 1ud4 n ASN 148 Cb 0.60 -3.78 -0.00 0.00 -0.61 0.00 0.00 39.78 35.99 1ud4 n ASN 148 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ud4 s ALA 149 N -1.81 3.39 0.00 5.41 0.00 -0.71 -2.88 121.76 125.16 1ud4 s ALA 149 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1ud4 s ALA 149 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1ud4 s ALA 149 CO 0.00 -0.93 0.00 0.66 0.00 0.00 0.00 175.76 175.49 1ud4 n TYR 150 N 0.28 0.00 -3.64 0.00 4.01 -1.26 -4.77 117.16 111.78 1ud4 n TYR 150 Ca 0.02 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.71 1ud4 n TYR 150 Cb 0.42 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.38 1ud4 n TYR 150 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ud4 s SER 151 N 0.00 -0.58 -0.13 7.72 0.15 -1.14 -5.02 113.70 114.70 1ud4 s SER 151 Ca 0.00 0.97 0.17 0.00 0.70 0.00 0.00 55.95 57.79 1ud4 s SER 151 Cb 0.00 1.17 0.73 0.00 -1.71 0.00 0.00 66.02 66.21 1ud4 s SER 151 CO 0.00 -0.16 1.64 -0.90 1.20 0.00 0.00 173.24 175.02 1ud4 n ASP 152 N 3.41 4.87 -4.75 5.45 5.68 -1.26 -4.49 116.55 125.46 1ud4 n ASP 152 Ca -0.17 -2.52 -0.41 0.00 -0.50 0.00 0.00 54.79 51.19 1ud4 n ASP 152 Cb 0.57 -0.60 -0.03 0.00 -1.14 0.00 0.00 41.12 39.93 1ud4 n ASP 152 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1ud4 s PHE 153 N -2.00 3.26 0.02 2.11 2.19 -1.26 -5.02 117.98 117.27 1ud4 s PHE 153 Ca 0.51 1.33 0.07 0.00 0.33 0.00 0.00 56.93 59.17 1ud4 s PHE 153 Cb 0.34 -3.57 -0.02 0.00 -1.31 0.00 0.00 43.02 38.46 1ud4 s PHE 153 CO 0.23 -1.68 -0.20 0.15 1.83 0.00 0.00 175.22 175.55 1ud4 s LYS 154 N -0.66 1.48 0.02 10.12 -0.14 -1.26 -4.97 119.74 124.32 1ud4 s LYS 154 Ca 0.53 -0.83 -0.03 0.00 -1.36 0.00 0.00 55.97 54.28 1ud4 s LYS 154 Cb -0.36 -1.51 -0.04 0.00 -1.68 0.00 0.00 37.83 34.23 1ud4 s LYS 154 CO 0.42 0.40 0.22 -1.58 -0.76 0.00 0.00 175.35 174.04 1ud4 s TRP 155 N -0.65 3.54 0.18 3.18 0.52 -1.07 -4.98 118.94 119.67 1ud4 s TRP 155 Ca 0.07 0.39 -0.01 0.00 0.02 0.00 0.00 56.10 56.58 1ud4 s TRP 155 Cb -0.08 -1.86 -0.04 0.00 -1.15 0.00 0.00 33.47 30.34 1ud4 s TRP 155 CO 0.01 0.62 0.10 1.03 0.02 0.00 0.00 176.95 178.72 1ud4 s ARG 156 N -2.06 1.12 0.42 4.98 1.81 -1.21 -1.86 118.95 122.15 1ud4 s ARG 156 Ca 0.30 -1.57 0.16 0.00 -1.72 0.00 0.00 55.73 52.90 1ud4 s ARG 156 Cb -0.13 0.19 1.06 0.00 -0.45 0.00 0.00 34.95 35.62 1ud4 s ARG 156 CO 0.20 -0.33 1.88 0.11 -0.68 0.00 0.00 175.30 176.48 1ud4 h TRP 157 N 2.69 0.54 0.00 -0.53 5.08 -1.95 -1.07 115.95 120.70 1ud4 h TRP 157 Ca -0.36 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.63 1ud4 h TRP 157 Cb 1.23 -0.17 0.00 0.00 -3.00 0.00 0.00 29.16 27.22 1ud4 h TRP 157 CO 0.39 0.17 0.00 1.97 -1.28 0.00 0.00 178.44 179.69 1ud4 n PHE 158 N -4.50 0.00 0.74 0.12 1.16 -1.26 -1.11 117.46 112.60 1ud4 n PHE 158 Ca 0.17 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.87 1ud4 n PHE 158 Cb 0.63 -0.03 0.06 0.00 -1.61 0.00 0.00 39.48 38.52 1ud4 n PHE 158 CO 0.00 0.00 0.00 0.72 -1.87 0.00 0.00 176.76 175.61 1ud4 n HIS 159 N -1.03 0.17 -4.05 2.97 8.25 -0.40 -4.93 115.22 116.19 1ud4 n HIS 159 Ca 0.12 0.05 -0.24 0.00 -0.26 0.00 0.00 57.72 57.39 1ud4 n HIS 159 Cb 0.06 -0.33 -0.07 0.00 1.12 0.00 0.00 29.99 30.78 1ud4 n HIS 159 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1ud4 s PHE 160 N -3.12 2.64 0.00 4.41 0.08 -0.27 -1.17 117.98 120.55 1ud4 s PHE 160 Ca 0.06 -0.53 0.00 0.00 0.12 0.00 0.00 56.93 56.58 1ud4 s PHE 160 Cb 0.15 -1.92 0.00 0.00 -0.57 0.00 0.00 43.02 40.69 1ud4 s PHE 160 CO 0.79 0.18 0.43 0.27 -0.10 0.00 0.00 175.22 176.79 1ud4 n ASN 161 N -1.25 0.57 -3.61 1.36 0.23 -0.43 -4.66 115.26 107.46 1ud4 n ASN 161 Ca -0.01 -1.18 -0.03 0.00 -0.53 0.00 0.00 54.58 52.83 1ud4 n ASN 161 Cb 0.64 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.32 1ud4 n ASN 161 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1ud4 s GLY 162 N -0.18 -0.28 0.23 4.83 0.00 -1.25 -1.00 107.32 109.66 1ud4 s GLY 162 Ca 0.00 1.61 -0.13 0.00 0.00 0.00 0.00 44.72 46.20 1ud4 s GLY 162 CO 0.00 0.52 0.46 -1.34 0.00 0.00 0.00 173.10 172.74 1ud4 s VAL 163 N -2.26 0.01 -0.10 1.40 -7.23 -1.06 -1.01 120.40 110.15 1ud4 s VAL 163 Ca 0.11 -1.31 0.08 0.00 -1.81 0.00 0.00 61.98 59.04 1ud4 s VAL 163 Cb -0.00 -2.06 0.13 0.00 0.56 0.00 0.00 36.38 35.01 1ud4 s VAL 163 CO -0.04 -0.06 1.08 -0.90 -0.31 0.00 0.00 175.10 174.87 1ud4 n ASP 164 N -0.35 2.23 -3.69 4.85 5.75 -1.26 -1.00 116.55 123.09 1ud4 n ASP 164 Ca -0.04 -2.40 -0.15 0.00 -0.01 0.00 0.00 54.79 52.19 1ud4 n ASP 164 Cb 0.62 -0.18 -0.14 0.00 -1.03 0.00 0.00 41.12 40.39 1ud4 n ASP 164 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1ud4 s TRP 165 N -1.70 -0.27 -0.38 2.11 -0.11 -1.26 -2.43 118.94 114.90 1ud4 s TRP 165 Ca 0.13 0.72 -0.14 0.00 1.22 0.00 0.00 56.10 58.04 1ud4 s TRP 165 Cb 0.11 -0.13 0.01 0.00 -1.50 0.00 0.00 33.47 31.96 1ud4 s TRP 165 CO 0.02 -0.27 0.27 0.34 -4.62 0.00 0.00 176.95 172.68 1ud4 s ASP 166 N 2.01 6.04 0.32 5.86 2.15 -0.63 -4.72 116.67 127.70 1ud4 s ASP 166 Ca -0.01 -0.73 0.26 0.00 0.43 0.00 0.00 52.55 52.50 1ud4 s ASP 166 Cb -0.12 -2.13 0.99 0.00 -0.30 0.00 0.00 42.92 41.35 1ud4 s ASP 166 CO -0.07 -0.36 1.77 -0.61 -0.17 0.00 0.00 175.17 175.73 1ud4 h GLN 167 N 8.56 0.00 0.40 4.34 5.75 -0.94 0.13 115.11 133.35 1ud4 h GLN 167 Ca -0.29 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.20 1ud4 h GLN 167 Cb 1.13 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.69 1ud4 h GLN 167 CO 0.69 0.00 -0.19 -0.09 -2.65 0.00 0.00 178.83 176.58 1ud4 h ARG 168 N 0.00 -0.52 -0.43 1.69 2.43 -1.92 -3.31 114.38 112.32 1ud4 h ARG 168 Ca 0.00 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1ud4 h ARG 168 Cb 0.51 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1ud4 h ARG 168 CO 0.00 -0.28 0.00 0.66 -1.51 0.00 0.00 179.97 178.84 1ud4 n TYR 169 N -5.14 0.56 -3.63 2.20 4.02 -1.25 -5.00 117.16 108.93 1ud4 n TYR 169 Ca -0.08 -0.28 -0.22 0.00 -0.01 0.00 0.00 57.90 57.31 1ud4 n TYR 169 Cb 0.24 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.57 1ud4 n TYR 169 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1ud4 n GLN 170 N 1.45 -1.31 -4.02 -0.72 6.02 0.43 -5.01 117.38 114.22 1ud4 n GLN 170 Ca 0.20 0.82 -0.10 0.00 -0.01 0.00 0.00 57.00 57.91 1ud4 n GLN 170 Cb 0.59 -3.43 -0.11 0.00 1.02 0.00 0.00 30.24 28.31 1ud4 n GLN 170 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1ud4 s GLU 171 N -4.90 0.41 -0.20 -1.09 2.02 -0.96 -4.97 118.70 109.01 1ud4 s GLU 171 Ca 0.13 -0.73 -0.15 0.00 0.02 0.00 0.00 54.97 54.24 1ud4 s GLU 171 Cb -0.05 0.02 -0.04 0.00 0.10 0.00 0.00 34.13 34.16 1ud4 s GLU 171 CO 0.86 -0.03 0.35 -0.80 0.02 0.00 0.00 175.26 175.66 1ud4 s ASN 172 N -1.70 6.40 0.15 -0.19 -0.87 -1.26 -1.60 114.94 115.87 1ud4 s ASN 172 Ca -0.11 0.46 -0.19 0.00 -1.57 0.00 0.00 52.86 51.45 1ud4 s ASN 172 Cb -0.07 -2.21 0.05 0.00 -0.02 0.00 0.00 41.25 39.00 1ud4 s ASN 172 CO -0.02 -0.02 0.51 -1.00 -2.57 0.00 0.00 177.10 174.00 1ud4 s HIS 173 N 1.10 -0.34 -0.48 2.20 3.76 -1.02 -5.01 115.29 115.50 1ud4 s HIS 173 Ca 0.17 0.06 -0.21 0.00 -0.15 0.00 0.00 55.06 54.94 1ud4 s HIS 173 Cb -0.14 0.42 0.04 0.00 1.11 0.00 0.00 32.58 34.00 1ud4 s HIS 173 CO 0.07 -0.80 0.69 0.42 -0.85 0.00 0.00 174.74 174.26 1ud4 s ILE 174 N -3.79 4.77 -0.14 0.60 -1.09 -1.26 -3.97 121.20 116.31 1ud4 s ILE 174 Ca 0.03 -0.10 -0.07 0.00 -2.23 0.00 0.00 60.65 58.28 1ud4 s ILE 174 Cb 0.00 -4.30 -0.04 0.00 -1.58 0.00 0.00 42.46 36.54 1ud4 s ILE 174 CO -0.11 -0.77 0.11 -0.36 -1.23 0.00 0.00 174.94 172.59 1ud4 s PHE 175 N 2.93 3.46 -0.18 3.97 0.40 -0.17 -0.80 117.98 127.60 1ud4 s PHE 175 Ca 0.21 0.38 -0.02 0.00 -0.60 0.00 0.00 56.93 56.91 1ud4 s PHE 175 Cb -0.16 -2.00 -0.01 0.00 0.51 0.00 0.00 43.02 41.37 1ud4 s PHE 175 CO 0.16 0.52 -0.11 0.50 0.70 0.00 0.00 175.22 176.99 1ud4 s ARG 176 N -0.48 3.31 0.24 0.44 3.52 -0.31 -2.57 118.95 123.09 1ud4 s ARG 176 Ca 0.11 -0.69 -0.31 0.00 -0.13 0.00 0.00 55.73 54.72 1ud4 s ARG 176 Cb -0.12 -2.78 -0.11 0.00 -1.56 0.00 0.00 34.95 30.38 1ud4 s ARG 176 CO 0.02 -0.04 1.62 -0.06 -0.81 0.00 0.00 175.30 176.03 1ud4 s PHE 177 N 1.01 2.88 0.32 5.12 0.08 -0.17 -1.02 117.98 126.20 1ud4 s PHE 177 Ca -0.01 0.62 -0.29 0.00 0.12 0.00 0.00 56.93 57.38 1ud4 s PHE 177 Cb -0.15 -4.05 -0.12 0.00 -0.57 0.00 0.00 43.02 38.14 1ud4 s PHE 177 CO -0.01 -3.73 1.41 0.00 -0.10 0.00 0.00 175.22 172.79 1ud4 n ALA 178 N 3.12 1.75 -0.98 5.36 0.00 0.46 -1.94 120.51 128.28 1ud4 n ALA 178 Ca 0.12 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1ud4 n ALA 178 Cb 0.37 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.48 1ud4 n ALA 178 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ud4 n ASN 179 N 1.20 -3.08 -4.49 0.00 5.03 -1.26 -4.93 115.26 107.73 1ud4 n ASN 179 Ca 0.06 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 55.23 1ud4 n ASN 179 Cb 0.36 -1.16 -0.11 0.00 -1.02 0.00 0.00 39.78 37.85 1ud4 n ASN 179 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1ud4 s THR 180 N -2.02 2.81 0.12 3.41 -4.23 -0.82 -5.13 115.64 109.77 1ud4 s THR 180 Ca 0.00 -1.69 0.04 0.00 -1.18 0.00 0.00 61.69 58.86 1ud4 s THR 180 Cb 0.00 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 1ud4 s THR 180 CO 0.00 -0.02 0.08 0.20 -0.54 0.00 0.00 174.62 174.34 1ud4 s ASN 181 N -2.48 5.38 0.58 3.99 -0.87 -1.26 -4.80 114.94 115.48 1ud4 s ASN 181 Ca 0.21 -0.11 -0.18 0.00 -1.57 0.00 0.00 52.86 51.20 1ud4 s ASN 181 Cb -0.09 -1.38 -0.04 0.00 -0.02 0.00 0.00 41.25 39.72 1ud4 s ASN 181 CO 0.11 0.13 1.16 0.26 -2.57 0.00 0.00 177.10 176.19 1ud4 s TRP 182 N -1.52 2.53 0.88 2.20 0.23 -1.26 -4.94 118.94 117.07 1ud4 s TRP 182 Ca 0.29 1.54 -0.10 0.00 -2.03 0.00 0.00 56.10 55.80 1ud4 s TRP 182 Cb -0.11 -3.35 0.13 0.00 0.03 0.00 0.00 33.47 30.16 1ud4 s TRP 182 CO 0.22 -1.87 1.13 -0.80 0.96 0.00 0.00 176.95 176.59 1ud4 s ASN 183 N -1.82 3.26 -0.25 2.95 0.01 -1.26 -5.04 114.94 112.78 1ud4 s ASN 183 Ca 0.74 2.11 -0.26 0.00 -0.71 0.00 0.00 52.86 54.74 1ud4 s ASN 183 Cb -0.26 -2.56 0.08 0.00 0.41 0.00 0.00 41.25 38.93 1ud4 s ASN 183 CO 0.32 -2.88 0.80 0.86 -1.51 0.00 0.00 177.10 174.69 1ud4 s TRP 184 N -2.71 -0.69 0.18 2.20 -0.11 -1.26 -4.49 118.94 112.06 1ud4 s TRP 184 Ca 0.65 1.64 -0.18 0.00 1.22 0.00 0.00 56.10 59.44 1ud4 s TRP 184 Cb -0.21 0.31 -0.08 0.00 -1.50 0.00 0.00 33.47 31.99 1ud4 s TRP 184 CO 0.58 -0.36 0.64 0.50 -4.62 0.00 0.00 176.95 173.68 1ud4 s ARG 185 N 0.17 4.14 0.30 5.86 3.52 -1.26 -4.75 118.95 126.93 1ud4 s ARG 185 Ca -0.00 0.71 0.04 0.00 -0.13 0.00 0.00 55.73 56.35 1ud4 s ARG 185 Cb -0.04 -2.94 -0.04 0.00 -1.56 0.00 0.00 34.95 30.37 1ud4 s ARG 185 CO -0.00 0.46 0.19 0.14 -0.81 0.00 0.00 175.30 175.28 1ud4 s VAL 186 N -1.45 0.16 0.58 7.11 -7.23 -1.26 -0.58 120.40 117.73 1ud4 s VAL 186 Ca 0.39 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.37 1ud4 s VAL 186 Cb -0.16 -2.50 -0.05 0.00 0.56 0.00 0.00 36.38 34.23 1ud4 s VAL 186 CO 0.20 0.00 1.02 -0.67 -0.31 0.00 0.00 175.10 175.35 1ud4 n ASP 187 N -1.02 1.07 -1.17 4.85 2.03 -0.47 -4.78 116.55 117.06 1ud4 n ASP 187 Ca 0.03 0.84 0.12 0.00 0.52 0.00 0.00 54.79 56.30 1ud4 n ASP 187 Cb 0.64 -1.41 0.22 0.00 -0.72 0.00 0.00 41.12 39.85 1ud4 n ASP 187 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ud4 n GLU 188 N -0.97 2.53 -2.08 -0.67 1.02 -1.26 -1.22 120.64 117.98 1ud4 n GLU 188 Ca 0.13 -2.31 -0.41 0.00 -0.02 0.00 0.00 57.16 54.56 1ud4 n GLU 188 Cb 0.46 -1.52 -0.02 0.00 -0.02 0.00 0.00 31.44 30.34 1ud4 n GLU 188 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1ud4 s GLU 189 N -1.50 4.33 -0.93 3.49 2.12 -1.26 -0.88 118.70 124.07 1ud4 s GLU 189 Ca 0.39 2.25 0.00 0.00 0.36 0.00 0.00 54.97 57.97 1ud4 s GLU 189 Cb 0.23 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.56 1ud4 s GLU 189 CO 0.32 -0.23 0.00 0.09 -0.54 0.00 0.00 175.26 174.90 1ud4 n ASN 190 N 0.83 -3.83 0.00 -1.70 3.02 -1.26 -3.44 115.26 108.88 1ud4 n ASN 190 Ca 0.00 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 1ud4 n ASN 190 Cb 0.41 -2.45 0.00 0.00 -0.61 0.00 0.00 39.78 37.13 1ud4 n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ud4 n GLY 191 N -1.58 1.94 2.69 7.41 0.00 -0.06 -1.17 105.19 114.42 1ud4 n GLY 191 Ca -0.10 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 1ud4 n GLY 191 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ud4 s ASN 192 N 0.00 1.55 -0.50 1.61 3.84 -1.25 -4.50 114.94 115.68 1ud4 s ASN 192 Ca 0.00 -0.12 0.02 0.00 0.21 0.00 0.00 52.86 52.97 1ud4 s ASN 192 Cb 0.00 -0.26 0.61 0.00 -0.55 0.00 0.00 41.25 41.05 1ud4 s ASN 192 CO 0.00 -0.25 1.94 0.00 -2.79 0.00 0.00 177.10 176.00 1ud4 n TYR 193 N 5.24 3.08 0.02 0.43 4.19 -0.36 -4.47 117.16 125.29 1ud4 n TYR 193 Ca -0.05 -2.13 -0.12 0.00 3.31 0.00 0.00 57.90 58.91 1ud4 n TYR 193 Cb 0.50 -1.07 -0.06 0.00 0.49 0.00 0.00 39.34 39.19 1ud4 n TYR 193 CO 0.00 0.00 0.00 0.22 0.91 0.00 0.00 176.86 177.99 1ud4 h ASP 194 N 1.24 0.04 -3.47 2.98 3.58 -1.81 -3.40 116.42 115.59 1ud4 h ASP 194 Ca 0.62 -0.01 -0.53 0.00 0.42 0.00 0.00 57.03 57.53 1ud4 h ASP 194 Cb 2.33 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 43.34 1ud4 h ASP 194 CO 1.22 0.04 0.28 -0.47 -2.88 0.00 0.00 179.24 177.43 1ud4 s TYR 195 N -6.16 3.73 0.08 0.28 5.04 -1.26 -4.76 117.35 114.30 1ud4 s TYR 195 Ca -0.13 1.63 0.00 0.00 -2.44 0.00 0.00 57.07 56.13 1ud4 s TYR 195 Cb 0.06 -2.99 0.00 0.00 0.35 0.00 0.00 41.96 39.39 1ud4 s TYR 195 CO 0.67 0.16 0.00 -0.11 -1.34 0.00 0.00 175.55 174.92 1ud4 n LEU 196 N 3.18 0.39 -3.90 6.97 7.94 -1.26 -5.11 117.00 125.22 1ud4 n LEU 196 Ca 0.02 0.12 -0.08 0.00 -1.11 0.00 0.00 56.01 54.96 1ud4 n LEU 196 Cb 0.50 -0.07 -0.02 0.00 0.53 0.00 0.00 43.42 44.36 1ud4 n LEU 196 CO 0.50 -0.64 0.40 -1.48 -1.11 0.00 0.00 177.39 175.06 1ud4 s LEU 197 N -6.00 -0.04 0.00 -1.96 2.34 -1.26 -5.03 118.68 106.73 1ud4 s LEU 197 Ca 0.00 -0.79 0.00 0.00 0.06 0.00 0.00 54.13 53.40 1ud4 s LEU 197 Cb 0.00 2.47 0.00 0.00 -0.56 0.00 0.00 46.19 48.10 1ud4 s LEU 197 CO 0.00 -1.34 0.00 0.61 -1.06 0.00 0.00 176.35 174.56 1ud4 n GLY 198 N -0.45 1.00 3.51 -3.48 0.00 -1.26 -4.35 105.19 100.15 1ud4 n GLY 198 Ca -0.04 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 1ud4 n GLY 198 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ud4 s SER 199 N -4.00 6.31 -0.20 1.61 0.01 -0.61 -4.11 113.70 112.71 1ud4 s SER 199 Ca 0.00 -0.42 -0.29 0.00 1.31 0.00 0.00 55.95 56.55 1ud4 s SER 199 Cb 0.00 -2.32 -0.01 0.00 0.21 0.00 0.00 66.02 63.90 1ud4 s SER 199 CO 0.00 -0.80 1.32 0.21 0.41 0.00 0.00 173.24 174.38 1ud4 s ASN 200 N 2.10 6.82 0.17 2.44 2.47 -0.18 -2.08 114.94 126.68 1ud4 s ASN 200 Ca 0.22 1.59 -0.31 0.00 0.42 0.00 0.00 52.86 54.77 1ud4 s ASN 200 Cb -0.15 -2.54 -0.09 0.00 -1.45 0.00 0.00 41.25 37.03 1ud4 s ASN 200 CO 0.18 -0.89 1.41 -0.63 -3.72 0.00 0.00 177.10 173.45 1ud4 s ILE 201 N 3.88 3.03 -0.48 -5.21 1.01 -1.02 -1.32 121.20 121.10 1ud4 s ILE 201 Ca 0.57 0.79 -0.16 0.00 0.00 0.00 0.00 60.65 61.85 1ud4 s ILE 201 Cb -0.21 -3.51 0.07 0.00 0.01 0.00 0.00 42.46 38.82 1ud4 s ILE 201 CO 0.19 0.09 0.43 -0.62 0.00 0.00 0.00 174.94 175.03 1ud4 s ASP 202 N 0.76 6.16 0.00 3.58 -1.08 -0.32 -4.76 116.67 121.02 1ud4 s ASP 202 Ca 0.62 -1.24 0.14 0.00 -0.52 0.00 0.00 52.55 51.55 1ud4 s ASP 202 Cb -0.39 -2.20 0.85 0.00 -1.46 0.00 0.00 42.92 39.72 1ud4 s ASP 202 CO 0.35 -0.68 1.53 0.49 0.52 0.00 0.00 175.17 177.37 1ud4 n PHE 203 N 5.37 0.00 0.37 -5.34 3.01 -1.26 -3.56 117.46 116.05 1ud4 n PHE 203 Ca -0.11 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.48 1ud4 n PHE 203 Cb 0.44 0.00 0.53 0.00 -0.01 0.00 0.00 39.48 40.44 1ud4 n PHE 203 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1ud4 h SER 204 N 0.00 0.00 -3.35 4.37 4.64 -1.95 -3.43 113.55 113.83 1ud4 h SER 204 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1ud4 h SER 204 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 1ud4 h SER 204 CO 0.00 0.00 0.25 -1.00 -0.87 0.00 0.00 176.83 175.21 1ud4 s HIS 205 N -3.40 3.50 0.26 4.77 3.76 -1.23 -4.96 115.29 117.99 1ud4 s HIS 205 Ca 0.04 1.28 -0.05 0.00 -0.15 0.00 0.00 55.06 56.18 1ud4 s HIS 205 Cb 0.09 -2.93 0.32 0.00 1.11 0.00 0.00 32.58 31.17 1ud4 s HIS 205 CO 0.48 -0.09 1.93 -1.35 -0.85 0.00 0.00 174.74 174.86 1ud4 h PRO 206 N 7.07 1.22 -0.36 8.40 0.11 -1.94 -1.53 132.00 144.97 1ud4 h PRO 206 Ca -0.35 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1ud4 h PRO 206 Cb 1.17 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 1ud4 h PRO 206 CO 0.79 0.83 0.16 1.05 -0.21 0.00 0.00 178.00 180.62 1ud4 h GLU 207 N 1.25 0.50 -0.14 1.05 9.09 -1.96 0.10 114.58 124.47 1ud4 h GLU 207 Ca 0.33 -0.06 -0.14 0.00 0.05 0.00 0.00 59.36 59.55 1ud4 h GLU 207 Cb -0.11 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 26.90 1ud4 h GLU 207 CO -0.07 0.40 -0.46 0.28 0.05 0.00 0.00 179.01 179.22 1ud4 h VAL 208 N 0.50 1.35 -0.30 -1.06 2.07 -1.76 -1.04 116.25 116.01 1ud4 h VAL 208 Ca 0.13 -1.73 0.05 0.00 0.82 0.00 0.00 66.70 65.96 1ud4 h VAL 208 Cb 0.08 2.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 1ud4 h VAL 208 CO -0.02 0.53 -0.00 1.56 0.02 0.00 0.00 177.57 179.66 1ud4 h GLN 209 N 0.20 0.08 -0.16 1.57 4.20 -0.53 -2.13 115.11 118.33 1ud4 h GLN 209 Ca -0.02 -0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.52 1ud4 h GLN 209 Cb 1.08 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.84 1ud4 h GLN 209 CO 0.10 0.05 -0.60 -0.44 -0.67 0.00 0.00 178.83 177.27 1ud4 h ASP 210 N 0.08 0.60 -0.18 1.46 3.32 -0.84 -2.75 116.42 118.12 1ud4 h ASP 210 Ca 0.14 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 1ud4 h ASP 210 Cb 0.19 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1ud4 h ASP 210 CO -0.24 1.06 0.11 -0.08 -1.72 0.00 0.00 179.24 178.37 1ud4 h GLU 211 N 0.40 0.24 0.00 3.56 4.57 -0.89 0.60 114.58 123.06 1ud4 h GLU 211 Ca -0.00 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.06 1ud4 h GLU 211 Cb 1.16 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 1ud4 h GLU 211 CO 0.11 0.19 -0.47 -0.07 -1.18 0.00 0.00 179.01 177.60 1ud4 h LEU 212 N 0.22 0.00 -0.17 1.64 3.38 -1.44 0.26 115.31 119.19 1ud4 h LEU 212 Ca 0.06 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1ud4 h LEU 212 Cb 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1ud4 h LEU 212 CO -0.01 0.47 -0.18 0.11 0.09 0.00 0.00 178.44 178.91 1ud4 h LYS 213 N 0.00 0.43 -0.51 1.13 1.57 -1.22 -0.20 116.57 117.77 1ud4 h LYS 213 Ca -0.00 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.46 1ud4 h LYS 213 Cb 0.87 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 1ud4 h LYS 213 CO 0.06 0.80 -0.04 -0.44 -0.57 0.00 0.00 179.45 179.26 1ud4 h ASP 214 N 0.08 0.92 -0.50 0.86 3.32 -0.62 -1.97 116.42 118.51 1ud4 h ASP 214 Ca 0.03 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 1ud4 h ASP 214 Cb 0.72 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 1ud4 h ASP 214 CO 0.04 1.02 0.30 -0.25 -1.72 0.00 0.00 179.24 178.64 1ud4 h TRP 215 N 0.79 0.66 -0.61 4.55 7.01 -0.47 -0.45 115.95 127.43 1ud4 h TRP 215 Ca 0.14 -0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.24 1ud4 h TRP 215 Cb 0.57 -0.22 -0.08 0.00 -2.10 0.00 0.00 29.16 27.34 1ud4 h TRP 215 CO 0.04 0.46 0.18 0.78 -2.79 0.00 0.00 178.44 177.12 1ud4 h GLY 216 N 0.67 0.82 0.94 2.65 0.00 -0.74 0.38 103.07 107.79 1ud4 h GLY 216 Ca 0.18 -0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.36 1ud4 h GLY 216 CO -0.03 -0.07 -0.04 0.23 0.00 0.00 0.00 176.54 176.63 1ud4 h SER 217 N 0.34 0.69 -0.26 0.19 0.87 -0.98 -0.13 113.55 114.27 1ud4 h SER 217 Ca 0.31 -0.34 0.02 0.00 -1.23 0.00 0.00 61.79 60.56 1ud4 h SER 217 Cb 0.43 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 1ud4 h SER 217 CO -0.35 0.86 0.10 -0.25 -0.53 0.00 0.00 176.83 176.66 1ud4 h TRP 218 N 0.50 0.18 0.08 2.24 7.01 -0.21 -0.13 115.95 125.61 1ud4 h TRP 218 Ca 0.10 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.11 1ud4 h TRP 218 Cb 0.54 -0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 27.55 1ud4 h TRP 218 CO 0.04 0.09 -0.06 0.35 -2.79 0.00 0.00 178.44 176.07 1ud4 h PHE 219 N 0.22 -0.15 -0.21 2.65 3.57 -0.11 0.17 116.94 123.08 1ud4 h PHE 219 Ca 0.11 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.66 1ud4 h PHE 219 Cb 0.07 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.82 1ud4 h PHE 219 CO -0.12 -0.09 -0.11 1.15 -2.23 0.00 0.00 178.31 176.91 1ud4 h THR 220 N -0.14 0.66 -0.66 4.41 2.02 -0.79 -1.88 112.91 116.54 1ud4 h THR 220 Ca -0.00 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 1ud4 h THR 220 Cb 0.13 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 1ud4 h THR 220 CO -0.00 0.00 0.07 0.44 0.37 0.00 0.00 175.52 176.40 1ud4 h ASP 221 N -0.09 1.07 -0.81 4.18 3.32 -0.84 0.27 116.42 123.53 1ud4 h ASP 221 Ca 0.11 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 1ud4 h ASP 221 Cb 0.26 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 1ud4 h ASP 221 CO -0.26 1.08 0.46 -0.08 -1.72 0.00 0.00 179.24 178.71 1ud4 h GLU 222 N 1.03 1.11 -0.20 3.56 4.57 -0.26 -3.03 114.58 121.36 1ud4 h GLU 222 Ca 0.20 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1ud4 h GLU 222 Cb 0.49 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1ud4 h GLU 222 CO 0.02 0.81 0.00 1.28 -1.18 0.00 0.00 179.01 179.94 1ud4 n LEU 223 N -4.43 2.85 -3.81 1.64 4.77 -0.74 -4.99 117.00 112.30 1ud4 n LEU 223 Ca 0.08 -1.33 -0.24 0.00 -0.03 0.00 0.00 56.01 54.49 1ud4 n LEU 223 Cb 0.08 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.06 1ud4 n LEU 223 CO 0.38 0.58 -0.15 -0.67 -1.33 0.00 0.00 177.39 176.21 1ud4 n ASP 224 N 1.07 -1.19 -4.75 -1.43 4.64 0.86 -4.90 116.55 110.85 1ud4 n ASP 224 Ca 0.13 -0.92 -0.35 0.00 -1.38 0.00 0.00 54.79 52.27 1ud4 n ASP 224 Cb 0.48 -3.54 0.05 0.00 -1.04 0.00 0.00 41.12 37.07 1ud4 n ASP 224 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1ud4 s LEU 225 N -6.77 3.53 0.00 -2.67 1.43 -0.67 -4.89 118.68 108.63 1ud4 s LEU 225 Ca 0.05 2.25 0.14 0.00 -1.03 0.00 0.00 54.13 55.55 1ud4 s LEU 225 Cb -0.02 -4.58 0.19 0.00 0.03 0.00 0.00 46.19 41.81 1ud4 s LEU 225 CO 0.85 -1.71 1.05 0.47 0.23 0.00 0.00 176.35 177.24 1ud4 n ASP 226 N -2.02 2.46 0.00 2.29 8.00 0.25 -4.95 116.55 122.57 1ud4 n ASP 226 Ca 0.12 -1.70 0.00 0.00 0.71 0.00 0.00 54.79 53.92 1ud4 n ASP 226 Cb 0.51 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 1ud4 n ASP 226 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ud4 n GLY 227 N 0.81 -2.14 3.10 0.44 0.00 -1.19 -1.22 105.19 104.98 1ud4 n GLY 227 Ca 0.10 -1.23 -0.07 0.00 0.00 0.00 0.00 46.02 44.81 1ud4 n GLY 227 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ud4 s TYR 228 N -2.40 0.55 -0.27 1.61 1.51 -0.01 -1.76 117.35 116.57 1ud4 s TYR 228 Ca 0.00 -1.09 0.01 0.00 -1.01 0.00 0.00 57.07 54.98 1ud4 s TYR 228 Cb 0.00 -0.40 0.05 0.00 -0.11 0.00 0.00 41.96 41.51 1ud4 s TYR 228 CO 0.00 -0.39 -0.06 0.50 -1.11 0.00 0.00 175.55 174.48 1ud4 s ARG 229 N -3.93 2.37 -0.38 -0.62 3.00 -0.51 -1.62 118.95 117.25 1ud4 s ARG 229 Ca 0.09 -1.28 -0.23 0.00 -1.00 0.00 0.00 55.73 53.30 1ud4 s ARG 229 Cb 0.08 -3.01 0.01 0.00 0.00 0.00 0.00 34.95 32.03 1ud4 s ARG 229 CO -0.09 -0.57 0.79 -0.51 0.00 0.00 0.00 175.30 174.91 1ud4 s LEU 230 N 1.18 4.15 0.28 -0.88 1.43 0.13 -0.37 118.68 124.59 1ud4 s LEU 230 Ca -0.07 0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 53.01 1ud4 s LEU 230 Cb -0.20 -3.02 -0.10 0.00 0.03 0.00 0.00 46.19 42.91 1ud4 s LEU 230 CO -0.04 -0.77 1.10 -0.62 0.23 0.00 0.00 176.35 176.25 1ud4 s ASP 231 N 1.90 7.27 -1.74 2.29 2.15 -0.45 -0.91 116.67 127.18 1ud4 s ASP 231 Ca 0.31 2.26 -0.21 0.00 0.43 0.00 0.00 52.55 55.35 1ud4 s ASP 231 Cb -0.13 -2.63 0.20 0.00 -0.30 0.00 0.00 42.92 40.06 1ud4 s ASP 231 CO 0.18 -0.14 0.65 0.00 -0.17 0.00 0.00 175.17 175.69 1ud4 n ALA 232 N 1.22 -1.21 0.21 3.66 0.00 -1.24 -4.68 120.51 118.46 1ud4 n ALA 232 Ca -0.01 -0.12 0.10 0.00 0.00 0.00 0.00 53.44 53.41 1ud4 n ALA 232 Cb 0.45 -2.84 0.48 0.00 0.00 0.00 0.00 19.45 17.54 1ud4 n ALA 232 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1ud4 n ILE 233 N -4.12 1.12 0.65 0.00 -5.35 -1.04 -1.35 119.36 109.27 1ud4 n ILE 233 Ca 0.10 0.57 0.11 0.00 -0.27 0.00 0.00 62.75 63.26 1ud4 n ILE 233 Cb 0.47 -1.55 0.46 0.00 -1.74 0.00 0.00 39.64 37.28 1ud4 n ILE 233 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 1ud4 n LYS 234 N -2.12 0.11 0.00 6.28 2.85 -1.26 -2.61 118.16 121.41 1ud4 n LYS 234 Ca -0.00 0.21 0.10 0.00 -1.05 0.00 0.00 58.31 57.57 1ud4 n LYS 234 Cb 0.08 -1.66 -0.01 0.00 -0.65 0.00 0.00 35.03 32.79 1ud4 n LYS 234 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1ud4 n HIS 235 N -1.85 0.00 -4.07 5.58 8.25 -0.45 -1.37 115.22 121.31 1ud4 n HIS 235 Ca 0.05 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.16 1ud4 n HIS 235 Cb 0.29 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.31 1ud4 n HIS 235 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1ud4 s ILE 236 N -2.41 4.77 -0.13 1.59 1.01 -1.07 -4.48 121.20 120.49 1ud4 s ILE 236 Ca 0.17 -0.05 -0.38 0.00 0.00 0.00 0.00 60.65 60.38 1ud4 s ILE 236 Cb 0.17 -3.11 -0.16 0.00 0.01 0.00 0.00 42.46 39.37 1ud4 s ILE 236 CO 0.56 0.51 1.62 -0.81 0.00 0.00 0.00 174.94 176.82 1ud4 n PRO 237 N 3.09 1.29 -0.21 2.79 -0.04 -1.26 -4.77 135.00 135.89 1ud4 n PRO 237 Ca -0.17 0.47 0.02 0.00 -0.04 0.00 0.00 63.50 63.77 1ud4 n PRO 237 Cb 0.53 -2.16 0.12 0.00 -0.04 0.00 0.00 33.50 31.95 1ud4 n PRO 237 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1ud4 h PHE 238 N 6.49 0.13 -0.75 0.54 0.04 -1.14 -1.38 116.94 120.87 1ud4 h PHE 238 Ca -0.47 0.04 0.12 0.00 2.80 0.00 0.00 57.97 60.46 1ud4 h PHE 238 Cb 1.32 0.04 -0.05 0.00 2.20 0.00 0.00 35.95 39.46 1ud4 h PHE 238 CO 0.72 -0.09 0.49 0.11 -0.60 0.00 0.00 178.31 178.94 1ud4 h TRP 239 N 0.21 0.61 -0.12 -0.55 5.08 -1.88 -2.54 115.95 116.76 1ud4 h TRP 239 Ca 0.34 0.02 -0.18 0.00 1.08 0.00 0.00 58.89 60.14 1ud4 h TRP 239 Cb 0.54 -0.20 0.01 0.00 -3.00 0.00 0.00 29.16 26.51 1ud4 h TRP 239 CO -0.29 0.26 -0.64 -0.92 -1.28 0.00 0.00 178.44 175.57 1ud4 h TYR 240 N 0.55 0.87 -0.73 0.12 3.20 -1.61 -2.38 116.97 116.99 1ud4 h TYR 240 Ca 0.36 -0.39 0.04 0.00 3.14 0.00 0.00 58.73 61.88 1ud4 h TYR 240 Cb 0.63 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.72 1ud4 h TYR 240 CO -0.00 1.20 0.45 1.15 -1.64 0.00 0.00 178.16 179.32 1ud4 h THR 241 N 0.30 1.07 -0.21 1.81 2.02 -1.32 0.31 112.91 116.89 1ud4 h THR 241 Ca -0.05 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 1ud4 h THR 241 Cb 1.28 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1ud4 h THR 241 CO 0.13 0.16 0.12 -1.28 0.37 0.00 0.00 175.52 175.02 1ud4 h SER 242 N 0.86 0.25 -0.54 4.18 0.87 -1.49 0.61 113.55 118.30 1ud4 h SER 242 Ca 0.30 -0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.82 1ud4 h SER 242 Cb 0.07 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 1ud4 h SER 242 CO -0.13 0.24 0.35 0.44 -0.53 0.00 0.00 176.83 177.19 1ud4 h ASP 243 N 0.25 0.58 -0.22 6.23 3.32 -0.82 -1.06 116.42 124.70 1ud4 h ASP 243 Ca 0.07 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1ud4 h ASP 243 Cb 0.04 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1ud4 h ASP 243 CO -0.01 0.41 0.14 -0.25 -1.72 0.00 0.00 179.24 177.81 1ud4 h TRP 244 N 0.70 0.27 -0.14 4.55 7.01 -0.02 0.67 115.95 128.99 1ud4 h TRP 244 Ca 0.21 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.22 1ud4 h TRP 244 Cb -0.03 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 26.93 1ud4 h TRP 244 CO -0.05 0.18 0.09 0.28 -2.79 0.00 0.00 178.44 176.15 1ud4 h VAL 245 N 0.29 1.04 -0.65 2.65 2.07 -0.59 -1.01 116.25 120.04 1ud4 h VAL 245 Ca 0.08 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1ud4 h VAL 245 Cb -0.02 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1ud4 h VAL 245 CO -0.02 0.03 0.38 0.03 0.02 0.00 0.00 177.57 178.01 1ud4 h ARG 246 N 0.18 0.88 -0.51 1.57 3.08 -1.00 -1.49 114.38 117.10 1ud4 h ARG 246 Ca 0.05 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 1ud4 h ARG 246 Cb -0.02 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 1ud4 h ARG 246 CO -0.01 0.63 0.11 1.25 -1.07 0.00 0.00 179.97 180.89 1ud4 h HIS 247 N 0.90 0.86 -0.43 3.04 2.76 -0.36 -1.80 115.15 120.11 1ud4 h HIS 247 Ca 0.23 -0.11 -0.08 0.00 -2.20 0.00 0.00 60.37 58.21 1ud4 h HIS 247 Cb -0.01 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.69 1ud4 h HIS 247 CO 0.00 0.77 -0.05 1.96 -1.30 0.00 0.00 177.93 179.31 1ud4 h GLN 248 N 0.70 0.79 0.00 5.26 1.08 -0.55 -0.68 115.11 121.71 1ud4 h GLN 248 Ca 0.16 -0.28 -0.06 0.00 -1.45 0.00 0.00 58.65 57.02 1ud4 h GLN 248 Cb 0.35 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 1ud4 h GLN 248 CO 0.00 0.88 -0.28 0.00 -0.95 0.00 0.00 178.83 178.49 1ud4 h ARG 249 N 0.62 0.00 -0.16 1.46 3.08 -1.24 0.97 114.38 119.11 1ud4 h ARG 249 Ca 0.11 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.03 1ud4 h ARG 249 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1ud4 h ARG 249 CO 0.03 0.28 -0.41 -0.97 -1.07 0.00 0.00 179.97 177.83 1ud4 h ASN 250 N 0.00 0.65 0.78 7.04 -0.73 -1.01 -3.28 115.58 119.02 1ud4 h ASN 250 Ca -0.00 -0.58 -0.14 0.00 1.87 0.00 0.00 56.30 57.45 1ud4 h ASN 250 Cb 0.50 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.88 1ud4 h ASN 250 CO 0.04 1.11 -0.67 -0.33 -0.37 0.00 0.00 177.43 177.20 1ud4 h GLU 251 N 0.22 0.00 -5.87 6.67 4.39 -0.64 -3.45 114.58 115.90 1ud4 h GLU 251 Ca -0.00 0.00 -0.63 0.00 0.34 0.00 0.00 59.36 59.06 1ud4 h GLU 251 Cb 1.02 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.62 1ud4 h GLU 251 CO 0.09 0.67 -0.38 0.00 -1.16 0.00 0.00 179.01 178.23 1ud4 s ALA 252 N -3.37 3.84 -0.01 3.43 0.00 0.29 -5.01 121.76 120.93 1ud4 s ALA 252 Ca -0.00 -0.55 -0.17 0.00 0.00 0.00 0.00 51.96 51.24 1ud4 s ALA 252 Cb 0.12 -2.08 -0.33 0.00 0.00 0.00 0.00 23.12 20.82 1ud4 s ALA 252 CO 0.77 0.62 0.89 -0.44 0.00 0.00 0.00 175.76 177.60 1ud4 h ASP 253 N 4.25 0.69 -4.25 0.00 3.32 -1.87 -3.45 116.42 115.12 1ud4 h ASP 253 Ca -0.51 -0.93 -0.52 0.00 0.02 0.00 0.00 57.03 55.09 1ud4 h ASP 253 Cb 1.21 -0.22 0.15 0.00 0.22 0.00 0.00 39.33 40.68 1ud4 h ASP 253 CO 0.64 1.64 0.33 0.00 -1.72 0.00 0.00 179.24 180.13 1ud4 s GLN 254 N -2.54 2.06 0.57 3.56 0.00 -1.26 -4.98 119.66 117.07 1ud4 s GLN 254 Ca -0.12 1.44 -0.19 0.00 -0.00 0.00 0.00 55.36 56.49 1ud4 s GLN 254 Cb 0.03 -1.86 -0.05 0.00 0.00 0.00 0.00 33.01 31.14 1ud4 s GLN 254 CO 0.89 -1.83 1.13 -0.51 0.00 0.00 0.00 175.29 174.98 1ud4 s ASP 255 N -2.74 5.57 -0.18 12.60 1.01 -1.26 -5.01 116.67 126.66 1ud4 s ASP 255 Ca 0.67 2.17 -0.01 0.00 0.71 0.00 0.00 52.55 56.09 1ud4 s ASP 255 Cb -0.22 -2.58 0.05 0.00 1.01 0.00 0.00 42.92 41.18 1ud4 s ASP 255 CO 0.51 -1.33 -0.03 -0.76 0.21 0.00 0.00 175.17 173.77 1ud4 s LEU 256 N -4.00 1.60 0.16 1.23 1.43 -1.26 -4.58 118.68 113.26 1ud4 s LEU 256 Ca 0.72 -0.74 -0.25 0.00 -1.03 0.00 0.00 54.13 52.83 1ud4 s LEU 256 Cb -0.24 -0.86 -0.08 0.00 0.03 0.00 0.00 46.19 45.05 1ud4 s LEU 256 CO 0.30 -0.22 0.76 0.12 0.23 0.00 0.00 176.35 177.54 1ud4 s PHE 257 N 1.67 3.90 -0.07 0.29 5.36 -0.36 -4.88 117.98 123.89 1ud4 s PHE 257 Ca -0.00 1.60 0.02 0.00 -0.96 0.00 0.00 56.93 57.59 1ud4 s PHE 257 Cb -0.16 -2.74 0.02 0.00 -0.34 0.00 0.00 43.02 39.79 1ud4 s PHE 257 CO -0.07 0.52 -0.10 0.08 -1.46 0.00 0.00 175.22 174.19 1ud4 s VAL 258 N -1.15 1.02 -0.12 3.12 1.01 -1.26 -0.83 120.40 122.19 1ud4 s VAL 258 Ca 0.35 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.95 1ud4 s VAL 258 Cb -0.23 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.21 1ud4 s VAL 258 CO 0.26 0.33 -0.15 0.54 0.00 0.00 0.00 175.10 176.08 1ud4 s VAL 259 N 0.84 1.54 -0.00 2.92 0.11 -0.64 -1.03 120.40 124.14 1ud4 s VAL 259 Ca -0.12 -0.66 -0.02 0.00 -2.93 0.00 0.00 61.98 58.26 1ud4 s VAL 259 Cb -0.15 -1.41 -0.04 0.00 -1.53 0.00 0.00 36.38 33.25 1ud4 s VAL 259 CO 0.02 0.45 0.16 -0.83 -3.33 0.00 0.00 175.10 171.57 1ud4 s GLY 260 N 1.09 2.14 -0.76 6.54 0.00 0.69 -0.69 107.32 116.33 1ud4 s GLY 260 Ca -0.04 -0.79 -0.14 0.00 0.00 0.00 0.00 44.72 43.75 1ud4 s GLY 260 CO -0.04 -0.69 0.70 1.85 0.00 0.00 0.00 173.10 174.93 1ud4 s GLU 261 N -1.93 3.44 -0.60 2.90 2.12 -0.09 -2.02 118.70 122.52 1ud4 s GLU 261 Ca 0.27 -2.33 -0.10 0.00 0.36 0.00 0.00 54.97 53.17 1ud4 s GLU 261 Cb -0.12 -4.37 0.15 0.00 0.26 0.00 0.00 34.13 30.05 1ud4 s GLU 261 CO 0.18 -1.29 0.49 -0.47 -0.54 0.00 0.00 175.26 173.63 1ud4 s TYR 262 N 0.42 3.49 -0.88 5.30 6.14 -1.26 -2.51 117.35 128.04 1ud4 s TYR 262 Ca 0.15 -2.01 -0.25 0.00 0.64 0.00 0.00 57.07 55.60 1ud4 s TYR 262 Cb -0.14 -3.56 0.04 0.00 0.42 0.00 0.00 41.96 38.72 1ud4 s TYR 262 CO -0.06 -0.97 1.41 -0.46 0.64 0.00 0.00 175.55 176.11 1ud4 s TRP 263 N 0.80 2.37 -0.24 4.97 -0.11 -1.26 -4.81 118.94 120.66 1ud4 s TRP 263 Ca 0.11 -0.39 -0.14 0.00 1.22 0.00 0.00 56.10 56.89 1ud4 s TRP 263 Cb -0.21 -4.63 0.07 0.00 -1.50 0.00 0.00 33.47 27.20 1ud4 s TRP 263 CO -0.03 -2.00 0.59 0.21 -4.62 0.00 0.00 176.95 171.10 1ud4 s LYS 264 N 5.45 0.61 -1.40 5.86 2.20 -1.26 -5.03 119.74 126.17 1ud4 s LYS 264 Ca 0.43 1.07 -0.08 0.00 -0.36 0.00 0.00 55.97 57.02 1ud4 s LYS 264 Cb -0.04 0.10 -0.04 0.00 -1.51 0.00 0.00 37.83 36.33 1ud4 s LYS 264 CO 0.02 -0.15 2.85 -3.47 -0.36 0.00 0.00 175.35 174.24 1ud4 n ASP 265 N 4.22 8.27 -3.30 1.43 2.03 -1.26 -4.18 116.55 123.76 1ud4 n ASP 265 Ca -0.21 -2.74 -0.08 0.00 0.52 0.00 0.00 54.79 52.28 1ud4 n ASP 265 Cb 0.58 -1.49 -0.06 0.00 -0.72 0.00 0.00 41.12 39.43 1ud4 n ASP 265 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ud4 s ASP 266 N 1.61 0.25 0.44 1.67 -1.08 -1.26 -4.92 116.67 113.39 1ud4 s ASP 266 Ca 0.65 -0.22 0.12 0.00 -0.52 0.00 0.00 52.55 52.59 1ud4 s ASP 266 Cb 0.20 1.16 0.97 0.00 -1.46 0.00 0.00 42.92 43.79 1ud4 s ASP 266 CO -0.07 -0.34 2.00 1.62 0.52 0.00 0.00 175.17 178.90 1ud4 h VAL 267 N 6.16 1.12 -0.44 1.11 3.04 -1.83 -2.47 116.25 122.93 1ud4 h VAL 267 Ca -0.11 -0.52 -0.00 0.00 -1.01 0.00 0.00 66.70 65.06 1ud4 h VAL 267 Cb 1.13 1.16 -0.02 0.00 -2.01 0.00 0.00 31.29 31.55 1ud4 h VAL 267 CO 0.26 0.16 0.27 1.23 -1.01 0.00 0.00 177.57 178.48 1ud4 h GLY 268 N 0.51 0.64 1.13 3.17 0.00 -1.96 -0.66 103.07 105.90 1ud4 h GLY 268 Ca 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1ud4 h GLY 268 CO 0.01 0.25 0.42 0.00 0.00 0.00 0.00 176.54 177.22 1ud4 h ALA 269 N 1.13 1.22 -0.26 3.60 0.00 -1.86 -1.00 119.26 122.09 1ud4 h ALA 269 Ca 0.16 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1ud4 h ALA 269 Cb -0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1ud4 h ALA 269 CO -0.03 0.62 -0.38 -0.07 0.00 0.00 0.00 179.25 179.39 1ud4 h LEU 270 N 1.13 0.63 -0.48 0.00 4.07 -1.21 -1.73 115.31 117.72 1ud4 h LEU 270 Ca 0.28 -0.27 -0.16 0.00 0.08 0.00 0.00 57.88 57.81 1ud4 h LEU 270 Cb 0.06 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 1ud4 h LEU 270 CO -0.04 0.95 -0.44 -0.33 -1.08 0.00 0.00 178.44 177.50 1ud4 h GLU 271 N 0.50 0.76 -0.58 1.13 5.08 -0.75 -0.83 114.58 119.89 1ud4 h GLU 271 Ca 0.05 -0.42 -0.04 0.00 -1.00 0.00 0.00 59.36 57.95 1ud4 h GLU 271 Cb 0.88 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 1ud4 h GLU 271 CO 0.08 1.04 0.22 0.35 -1.00 0.00 0.00 179.01 179.70 1ud4 h PHE 272 N 0.61 0.89 -0.48 4.33 3.57 -1.09 -0.42 116.94 124.35 1ud4 h PHE 272 Ca 0.04 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1ud4 h PHE 272 Cb 1.00 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1ud4 h PHE 272 CO 0.05 0.72 0.26 -0.92 -2.23 0.00 0.00 178.31 176.20 1ud4 h TYR 273 N 0.80 0.66 -0.72 0.41 3.20 -1.09 -0.87 116.97 119.35 1ud4 h TYR 273 Ca 0.19 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1ud4 h TYR 273 Cb 0.22 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 1ud4 h TYR 273 CO 0.01 0.49 0.45 -0.07 -1.64 0.00 0.00 178.16 177.40 1ud4 h LEU 274 N 0.63 0.84 -0.37 2.82 3.38 -0.78 -0.50 115.31 121.32 1ud4 h LEU 274 Ca 0.17 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ud4 h LEU 274 Cb 0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1ud4 h LEU 274 CO -0.03 0.63 0.23 0.44 0.09 0.00 0.00 178.44 179.80 1ud4 h ASP 275 N 0.98 0.45 0.00 -0.43 3.32 -0.35 0.38 116.42 120.78 1ud4 h ASP 275 Ca 0.26 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1ud4 h ASP 275 Cb -0.07 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 1ud4 h ASP 275 CO -0.05 0.37 -0.01 -0.33 -1.72 0.00 0.00 179.24 177.50 1ud4 h GLU 276 N 0.49 0.04 -0.01 3.56 4.39 -0.08 0.40 114.58 123.37 1ud4 h GLU 276 Ca 0.13 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1ud4 h GLU 276 Cb 0.00 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1ud4 h GLU 276 CO -0.03 0.06 -0.06 -1.33 -1.16 0.00 0.00 179.01 176.50 1ud4 n MET 277 N -4.49 1.37 -2.89 2.33 2.81 -0.30 -4.91 117.12 111.03 1ud4 n MET 277 Ca -0.02 -0.74 -0.22 0.00 -1.81 0.00 0.00 57.70 54.91 1ud4 n MET 277 Cb 0.12 -1.48 0.03 0.00 -0.71 0.00 0.00 33.22 31.17 1ud4 n MET 277 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1ud4 n ASN 278 N -0.17 -6.02 -2.26 7.83 5.15 0.13 -2.34 115.26 117.58 1ud4 n ASN 278 Ca 0.18 -0.24 -0.14 0.00 -0.60 0.00 0.00 54.58 53.78 1ud4 n ASN 278 Cb 0.33 -4.86 -0.02 0.00 -0.53 0.00 0.00 39.78 34.70 1ud4 n ASN 278 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1ud4 n TRP 279 N -4.42 -1.17 1.23 1.20 7.02 0.12 -4.85 117.44 116.57 1ud4 n TRP 279 Ca -0.13 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.37 1ud4 n TRP 279 Cb 0.63 -2.93 0.07 0.00 -2.42 0.00 0.00 31.31 26.67 1ud4 n TRP 279 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1ud4 n GLU 280 N -2.69 1.50 -3.89 -0.99 1.02 -0.99 -4.86 120.64 109.74 1ud4 n GLU 280 Ca -0.16 -0.59 -0.09 0.00 -0.02 0.00 0.00 57.16 56.30 1ud4 n GLU 280 Cb 0.60 -1.29 -0.01 0.00 -0.02 0.00 0.00 31.44 30.72 1ud4 n GLU 280 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ud4 s MET 281 N -1.66 1.94 0.32 3.49 0.23 -1.26 -4.81 119.30 117.54 1ud4 s MET 281 Ca 0.11 -1.31 0.09 0.00 -1.03 0.00 0.00 55.69 53.54 1ud4 s MET 281 Cb 0.06 0.57 -0.04 0.00 -1.53 0.00 0.00 34.83 33.89 1ud4 s MET 281 CO 0.06 -0.87 0.07 -1.12 -2.03 0.00 0.00 175.02 171.12 1ud4 s SER 282 N -3.04 4.53 0.10 -1.18 0.01 -0.20 -4.89 113.70 109.03 1ud4 s SER 282 Ca 0.17 -0.78 0.07 0.00 1.31 0.00 0.00 55.95 56.72 1ud4 s SER 282 Cb -0.04 -0.73 -0.03 0.00 0.21 0.00 0.00 66.02 65.43 1ud4 s SER 282 CO 0.11 -0.19 -0.17 -0.76 0.41 0.00 0.00 173.24 172.64 1ud4 s LEU 283 N -3.76 2.31 0.33 2.44 1.43 -0.24 -0.22 118.68 120.98 1ud4 s LEU 283 Ca 0.35 -0.69 -0.29 0.00 -1.03 0.00 0.00 54.13 52.47 1ud4 s LEU 283 Cb -0.03 -0.69 -0.10 0.00 0.03 0.00 0.00 46.19 45.39 1ud4 s LEU 283 CO 0.21 -0.03 1.36 -0.36 0.23 0.00 0.00 176.35 177.76 1ud4 s PHE 284 N -1.40 2.96 -1.31 0.29 0.08 -0.86 -0.71 117.98 117.03 1ud4 s PHE 284 Ca 0.04 1.31 -0.17 0.00 0.12 0.00 0.00 56.93 58.23 1ud4 s PHE 284 Cb -0.09 -3.76 0.07 0.00 -0.57 0.00 0.00 43.02 38.67 1ud4 s PHE 284 CO 0.03 -2.18 1.77 -3.47 -0.10 0.00 0.00 175.22 171.27 1ud4 n ASP 285 N 0.95 4.85 -0.24 1.36 -0.08 0.02 -4.76 116.55 118.65 1ud4 n ASP 285 Ca 0.01 -2.92 -0.07 0.00 -1.51 0.00 0.00 54.79 50.30 1ud4 n ASP 285 Cb 0.41 -1.73 0.04 0.00 2.34 0.00 0.00 41.12 42.18 1ud4 n ASP 285 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1ud4 h VAL 286 N 5.35 1.25 -0.99 5.18 2.07 -1.87 -2.33 116.25 124.91 1ud4 h VAL 286 Ca 0.45 -0.83 0.04 0.00 0.82 0.00 0.00 66.70 67.18 1ud4 h VAL 286 Cb 0.85 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 1ud4 h VAL 286 CO 1.49 0.32 0.65 -0.65 0.02 0.00 0.00 177.57 179.41 1ud4 h PRO 287 N 0.97 1.22 -0.39 1.57 0.11 -1.86 -1.57 132.00 132.05 1ud4 h PRO 287 Ca 0.22 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 66.18 1ud4 h PRO 287 Cb 0.27 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1ud4 h PRO 287 CO -0.01 0.81 -0.07 1.25 -0.21 0.00 0.00 178.00 179.76 1ud4 h LEU 288 N 1.26 0.64 -0.71 2.35 5.85 -1.79 0.83 115.31 123.73 1ud4 h LEU 288 Ca 0.39 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.96 1ud4 h LEU 288 Cb -0.00 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 1ud4 h LEU 288 CO -0.12 0.76 0.47 -1.13 -0.34 0.00 0.00 178.44 178.07 1ud4 h ASN 289 N 0.61 0.80 0.75 1.25 -1.24 -0.77 -0.17 115.58 116.81 1ud4 h ASN 289 Ca 0.11 -0.02 -0.10 0.00 0.71 0.00 0.00 56.30 57.00 1ud4 h ASN 289 Cb 0.49 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.33 1ud4 h ASN 289 CO 0.03 0.58 -0.50 1.88 -1.29 0.00 0.00 177.43 178.13 1ud4 h TYR 290 N 0.95 0.00 -0.22 0.67 0.05 -0.72 -1.20 116.97 116.50 1ud4 h TYR 290 Ca 0.26 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.02 1ud4 h TYR 290 Cb -0.10 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.64 1ud4 h TYR 290 CO -0.03 0.50 0.03 -0.91 -1.05 0.00 0.00 178.16 176.71 1ud4 h ASN 291 N 0.00 0.35 -0.57 3.88 2.35 0.01 0.24 115.58 121.83 1ud4 h ASN 291 Ca -0.00 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.47 1ud4 h ASN 291 Cb 1.01 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 39.26 1ud4 h ASN 291 CO 0.06 0.52 0.31 -0.26 -1.65 0.00 0.00 177.43 176.42 1ud4 h PHE 292 N 0.16 0.79 -0.37 1.19 0.04 -0.89 -1.52 116.94 116.33 1ud4 h PHE 292 Ca 0.07 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 1ud4 h PHE 292 Cb 0.32 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 1ud4 h PHE 292 CO 0.02 0.57 0.20 -0.92 -0.60 0.00 0.00 178.31 177.58 1ud4 h TYR 293 N 0.77 0.51 -0.61 -0.55 3.20 -0.97 0.66 116.97 119.99 1ud4 h TYR 293 Ca 0.20 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.11 1ud4 h TYR 293 Cb 0.05 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.10 1ud4 h TYR 293 CO -0.01 0.40 0.32 0.00 -1.64 0.00 0.00 178.16 177.24 1ud4 h ARG 294 N 0.47 0.59 -0.26 1.82 3.08 -0.25 0.50 114.38 120.34 1ud4 h ARG 294 Ca 0.13 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 1ud4 h ARG 294 Cb 0.06 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1ud4 h ARG 294 CO -0.02 0.39 0.02 0.00 -1.07 0.00 0.00 179.97 179.28 1ud4 h ALA 295 N 1.33 0.34 -0.74 0.04 0.00 -0.92 0.06 119.26 119.38 1ud4 h ALA 295 Ca 0.28 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1ud4 h ALA 295 Cb 0.19 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1ud4 h ALA 295 CO -0.18 0.06 0.48 1.03 0.00 0.00 0.00 179.25 180.63 1ud4 h SER 296 N 0.23 0.80 -0.18 0.00 0.87 -0.51 -1.79 113.55 112.97 1ud4 h SER 296 Ca 0.07 -0.01 -0.19 0.00 -1.23 0.00 0.00 61.79 60.43 1ud4 h SER 296 Cb 0.38 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 62.17 1ud4 h SER 296 CO 0.01 0.56 -0.64 1.56 -0.53 0.00 0.00 176.83 177.79 1ud4 h GLN 297 N 0.94 0.76 -0.28 2.24 1.08 -0.79 -3.32 115.11 115.74 1ud4 h GLN 297 Ca 0.29 -0.57 -0.18 0.00 -1.45 0.00 0.00 58.65 56.74 1ud4 h GLN 297 Cb -0.03 0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1ud4 h GLN 297 CO -0.09 1.19 -0.53 0.37 -0.95 0.00 0.00 178.83 178.82 1ud4 h GLN 298 N 0.48 0.82 0.00 1.46 4.15 -0.88 -3.50 115.11 117.64 1ud4 h GLN 298 Ca -0.03 -0.50 0.00 0.00 0.77 0.00 0.00 58.65 58.89 1ud4 h GLN 298 Cb 1.27 0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.01 1ud4 h GLN 298 CO 0.14 1.14 0.00 0.41 -1.93 0.00 0.00 178.83 178.58 1ud4 n GLY 299 N 0.31 -1.68 0.33 2.39 0.00 -0.68 -4.56 105.19 101.31 1ud4 n GLY 299 Ca -0.04 -2.05 0.19 0.00 0.00 0.00 0.00 46.02 44.12 1ud4 n GLY 299 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ud4 h GLY 300 N 0.00 0.00 2.00 -0.02 0.00 -1.85 -2.04 103.07 101.16 1ud4 h GLY 300 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ud4 h GLY 300 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 176.54 178.02 1ud4 h SER 301 N 0.00 0.00 -2.58 0.19 4.64 -1.85 -3.42 113.55 110.53 1ud4 h SER 301 Ca 0.01 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.81 1ud4 h SER 301 Cb 0.24 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.39 1ud4 h SER 301 CO -0.00 0.00 1.02 0.00 -0.87 0.00 0.00 176.83 176.98 1ud4 n TYR 302 N -2.79 2.68 -2.50 4.77 9.36 -0.77 -4.90 117.16 123.00 1ud4 n TYR 302 Ca -0.00 0.01 -0.42 0.00 3.32 0.00 0.00 57.90 60.81 1ud4 n TYR 302 Cb 0.20 -2.68 -0.03 0.00 -0.63 0.00 0.00 39.34 36.21 1ud4 n TYR 302 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1ud4 s ASP 303 N 1.55 6.23 0.38 2.98 -1.08 -1.26 -4.76 116.67 120.71 1ud4 s ASP 303 Ca 0.77 -0.03 0.23 0.00 -0.52 0.00 0.00 52.55 53.01 1ud4 s ASP 303 Cb -0.52 -2.55 1.27 0.00 -1.46 0.00 0.00 42.92 39.66 1ud4 s ASP 303 CO 0.34 -1.69 1.70 0.24 0.52 0.00 0.00 175.17 176.27 1ud4 h MET 304 N 10.29 0.00 0.00 4.34 2.86 -1.25 -1.32 114.93 129.85 1ud4 h MET 304 Ca -0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1ud4 h MET 304 Cb 1.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.73 1ud4 h MET 304 CO 1.22 0.00 0.00 0.00 1.06 0.00 0.00 176.91 179.19 1ud4 h ARG 305 N 0.00 0.00 -0.18 1.72 3.08 -1.81 -2.50 114.38 114.69 1ud4 h ARG 305 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ud4 h ARG 305 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1ud4 h ARG 305 CO 0.00 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 1ud4 n ASN 306 N -2.45 2.88 -0.31 7.04 5.03 -0.50 -4.66 115.26 122.29 1ud4 n ASN 306 Ca 0.01 -1.86 0.16 0.00 0.87 0.00 0.00 54.58 53.76 1ud4 n ASN 306 Cb 0.20 -0.11 0.41 0.00 -1.02 0.00 0.00 39.78 39.26 1ud4 n ASN 306 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 1ud4 h ILE 307 N 3.72 0.69 -0.01 2.41 6.09 -1.58 -1.04 117.51 127.80 1ud4 h ILE 307 Ca 0.00 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 63.28 1ud4 h ILE 307 Cb 0.83 0.03 0.00 0.00 0.47 0.00 0.00 36.82 38.15 1ud4 h ILE 307 CO 0.00 0.11 -0.56 0.18 -3.07 0.00 0.00 178.15 174.81 1ud4 n LEU 308 N -4.65 1.61 -4.69 2.19 4.77 -1.26 -4.74 117.00 110.23 1ud4 n LEU 308 Ca 0.22 -0.60 -0.42 0.00 -0.03 0.00 0.00 56.01 55.17 1ud4 n LEU 308 Cb 0.64 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.67 1ud4 n LEU 308 CO 0.26 0.31 1.32 -0.60 -1.33 0.00 0.00 177.39 177.35 1ud4 s ARG 309 N -2.62 4.20 0.00 3.23 3.52 -0.39 -2.14 118.95 124.75 1ud4 s ARG 309 Ca 0.17 2.33 0.00 0.00 -0.13 0.00 0.00 55.73 58.10 1ud4 s ARG 309 Cb 0.18 -3.55 0.00 0.00 -1.56 0.00 0.00 34.95 30.02 1ud4 s ARG 309 CO 0.64 -0.72 0.00 0.41 -0.81 0.00 0.00 175.30 174.82 1ud4 n GLY 310 N 3.97 0.79 3.89 8.12 0.00 -1.26 -5.00 105.19 115.69 1ud4 n GLY 310 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1ud4 n GLY 310 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ud4 s SER 311 N -2.80 6.25 0.08 1.61 1.04 -0.91 -4.21 113.70 114.75 1ud4 s SER 311 Ca 0.00 1.19 -0.15 0.00 0.48 0.00 0.00 55.95 57.47 1ud4 s SER 311 Cb 0.00 -2.37 -0.16 0.00 0.10 0.00 0.00 66.02 63.60 1ud4 s SER 311 CO 0.00 -0.73 1.29 0.25 0.98 0.00 0.00 173.24 175.02 1ud4 h LEU 312 N -0.06 0.80 -1.96 2.42 5.85 -1.91 -3.13 115.31 117.33 1ud4 h LEU 312 Ca -0.45 -0.62 0.07 0.00 0.84 0.00 0.00 57.88 57.72 1ud4 h LEU 312 Cb 1.20 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1ud4 h LEU 312 CO 0.62 1.28 0.19 1.62 -0.34 0.00 0.00 178.44 181.81 1ud4 h VAL 313 N 0.37 0.89 -0.38 1.05 3.04 -1.92 0.48 116.25 119.78 1ud4 h VAL 313 Ca -0.03 -0.02 -0.10 0.00 -1.01 0.00 0.00 66.70 65.54 1ud4 h VAL 313 Cb 1.24 0.84 -0.02 0.00 -2.01 0.00 0.00 31.29 31.35 1ud4 h VAL 313 CO 0.13 0.01 -0.18 -0.08 -1.01 0.00 0.00 177.57 176.44 1ud4 h GLU 314 N 0.05 0.72 0.04 4.17 4.81 -1.80 -2.82 114.58 119.75 1ud4 h GLU 314 Ca 0.12 -0.26 -0.35 0.00 -0.13 0.00 0.00 59.36 58.73 1ud4 h GLU 314 Cb 0.43 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.72 1ud4 h GLU 314 CO -0.01 0.85 -2.01 0.00 -0.73 0.00 0.00 179.01 177.12 1ud4 n ALA 315 N -2.49 1.03 -3.24 2.92 0.00 -0.06 -4.75 120.51 113.92 1ud4 n ALA 315 Ca 0.01 -0.77 -0.24 0.00 0.00 0.00 0.00 53.44 52.43 1ud4 n ALA 315 Cb 0.40 -0.37 -0.07 0.00 0.00 0.00 0.00 19.45 19.41 1ud4 n ALA 315 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ud4 n HIS 316 N -3.84 0.91 -0.34 0.00 8.25 0.15 -4.97 115.22 115.37 1ud4 n HIS 316 Ca -0.39 -3.76 0.22 0.00 -0.26 0.00 0.00 57.72 53.53 1ud4 n HIS 316 Cb 0.91 -0.42 0.46 0.00 1.12 0.00 0.00 29.99 32.06 1ud4 n HIS 316 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1ud4 h PRO 317 N 3.94 0.42 0.00 -0.41 0.13 -1.63 0.12 132.00 134.57 1ud4 h PRO 317 Ca 0.11 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1ud4 h PRO 317 Cb 0.81 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1ud4 h PRO 317 CO 0.58 0.28 0.00 -1.33 -0.23 0.00 0.00 178.00 177.29 1ud4 n MET 318 N -4.86 0.45 -0.14 0.86 2.81 -1.26 -1.66 117.12 113.32 1ud4 n MET 318 Ca 0.29 0.04 0.08 0.00 -1.81 0.00 0.00 57.70 56.30 1ud4 n MET 318 Cb 0.89 -1.50 0.11 0.00 -0.71 0.00 0.00 33.22 32.01 1ud4 n MET 318 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1ud4 n HIS 319 N -1.22 0.00 -5.22 2.03 8.25 0.40 -4.92 115.22 114.54 1ud4 n HIS 319 Ca 0.13 -0.80 -0.32 0.00 -0.26 0.00 0.00 57.72 56.48 1ud4 n HIS 319 Cb 0.17 -0.13 -0.17 0.00 1.12 0.00 0.00 29.99 30.98 1ud4 n HIS 319 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ud4 s ALA 320 N -2.28 2.16 -0.43 -1.41 0.00 -1.12 -1.07 121.76 117.61 1ud4 s ALA 320 Ca 0.25 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 51.14 1ud4 s ALA 320 Cb 0.22 -0.79 0.08 0.00 0.00 0.00 0.00 23.12 22.63 1ud4 s ALA 320 CO 0.02 0.31 0.28 0.08 0.00 0.00 0.00 175.76 176.45 1ud4 s VAL 321 N 0.27 4.29 0.28 0.00 1.01 0.11 -0.71 120.40 125.65 1ud4 s VAL 321 Ca -0.17 -1.43 -0.22 0.00 0.00 0.00 0.00 61.98 60.16 1ud4 s VAL 321 Cb -0.17 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.46 1ud4 s VAL 321 CO 0.08 -0.55 0.82 0.42 0.00 0.00 0.00 175.10 175.87 1ud4 s THR 322 N 1.43 4.44 0.18 3.92 -4.23 -0.68 -0.80 115.64 119.90 1ud4 s THR 322 Ca 0.03 1.46 -0.17 0.00 -1.18 0.00 0.00 61.69 61.84 1ud4 s THR 322 Cb -0.24 -3.88 0.03 0.00 1.34 0.00 0.00 72.50 69.75 1ud4 s THR 322 CO 0.02 0.13 0.49 0.72 -0.54 0.00 0.00 174.62 175.44 1ud4 s PHE 323 N -1.63 -0.12 -0.21 3.99 -0.71 -1.26 -0.15 117.98 117.89 1ud4 s PHE 323 Ca 0.47 -0.22 0.01 0.00 -1.04 0.00 0.00 56.93 56.16 1ud4 s PHE 323 Cb -0.16 0.35 -0.13 0.00 -1.21 0.00 0.00 43.02 41.86 1ud4 s PHE 323 CO 0.21 -0.87 -0.19 0.28 -1.34 0.00 0.00 175.22 173.32 1ud4 n VAL 324 N -0.32 1.19 -3.62 -2.49 0.31 -1.26 -4.47 118.33 107.67 1ud4 n VAL 324 Ca -0.11 -0.45 -0.11 0.00 -0.01 0.00 0.00 64.34 63.67 1ud4 n VAL 324 Cb 0.63 -1.25 -0.04 0.00 -0.91 0.00 0.00 33.84 32.27 1ud4 n VAL 324 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1ud4 s ASP 325 N -6.03 -0.31 0.11 4.52 1.01 -1.26 -4.67 116.67 110.03 1ud4 s ASP 325 Ca -0.28 -0.30 -0.00 0.00 0.71 0.00 0.00 52.55 52.68 1ud4 s ASP 325 Cb 0.07 0.53 0.00 0.00 1.01 0.00 0.00 42.92 44.53 1ud4 s ASP 325 CO 0.47 -0.93 0.14 -0.46 0.21 0.00 0.00 175.17 174.60 1ud4 n ASN 326 N -0.29 -0.39 0.30 0.27 0.23 -1.26 -4.56 115.26 109.55 1ud4 n ASN 326 Ca -0.15 -1.61 0.16 0.00 -0.53 0.00 0.00 54.58 52.46 1ud4 n ASN 326 Cb 0.64 0.75 0.94 0.00 -2.08 0.00 0.00 39.78 40.03 1ud4 n ASN 326 CO 0.00 0.00 0.00 1.12 -0.93 0.00 0.00 177.26 177.45 1ud4 h HIS 327 N 1.32 0.00 0.00 -2.53 2.07 -1.96 -2.18 115.15 111.88 1ud4 h HIS 327 Ca -0.08 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.31 1ud4 h HIS 327 Cb 0.37 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.33 1ud4 h HIS 327 CO 0.00 0.03 -1.32 -0.25 -3.07 0.00 0.00 177.93 173.31 1ud4 n ASP 328 N -3.61 0.86 0.03 3.10 8.00 -1.26 -4.22 116.55 119.45 1ud4 n ASP 328 Ca -0.03 0.37 0.11 0.00 0.71 0.00 0.00 54.79 55.95 1ud4 n ASP 328 Cb 0.12 0.22 0.05 0.00 -0.02 0.00 0.00 41.12 41.49 1ud4 n ASP 328 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1ud4 n THR 329 N -2.84 0.20 -0.94 -3.53 -2.24 -0.97 -0.67 114.28 103.29 1ud4 n THR 329 Ca -0.08 -0.25 -0.31 0.00 -2.27 0.00 0.00 64.05 61.14 1ud4 n THR 329 Cb 0.77 0.15 0.14 0.00 -2.10 0.00 0.00 70.33 69.30 1ud4 n THR 329 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ud4 s GLN 330 N -3.19 1.50 0.05 -0.78 -2.07 -0.86 -2.07 119.66 112.24 1ud4 s GLN 330 Ca 0.04 1.45 -0.38 0.00 -1.82 0.00 0.00 55.36 54.65 1ud4 s GLN 330 Cb 0.14 -1.79 -0.18 0.00 -1.09 0.00 0.00 33.01 30.09 1ud4 s GLN 330 CO 0.79 -2.25 1.18 -2.30 -1.32 0.00 0.00 175.29 171.38 1ud4 n PRO 331 N -3.87 0.54 -0.52 9.60 -0.02 -1.26 -1.95 135.00 137.52 1ud4 n PRO 331 Ca 0.11 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1ud4 n PRO 331 Cb 0.52 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1ud4 n PRO 331 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ud4 n GLY 332 N 1.97 1.83 3.96 -1.23 0.00 -1.26 -5.03 105.19 105.43 1ud4 n GLY 332 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1ud4 n GLY 332 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ud4 s GLU 333 N -0.03 2.57 0.40 1.61 0.41 -0.82 -5.00 118.70 117.83 1ud4 s GLU 333 Ca 0.00 -0.57 0.15 0.00 -0.41 0.00 0.00 54.97 54.14 1ud4 s GLU 333 Cb 0.00 -2.41 1.01 0.00 -1.78 0.00 0.00 34.13 30.95 1ud4 s GLU 333 CO 0.00 -0.77 1.85 0.66 -0.49 0.00 0.00 175.26 176.51 1ud4 h SER 334 N -0.05 0.48 -0.63 -0.19 4.64 -1.88 -2.37 113.55 113.56 1ud4 h SER 334 Ca -0.43 0.05 -0.43 0.00 -0.47 0.00 0.00 61.79 60.51 1ud4 h SER 334 Cb 1.29 -0.04 -0.28 0.00 -0.31 0.00 0.00 62.40 63.06 1ud4 h SER 334 CO 0.55 0.19 -0.28 0.18 -0.87 0.00 0.00 176.83 176.60 1ud4 n LEU 335 N -4.55 5.04 -4.61 5.97 4.77 0.15 -5.05 117.00 118.72 1ud4 n LEU 335 Ca 0.20 -4.34 -0.57 0.00 -0.03 0.00 0.00 56.01 51.27 1ud4 n LEU 335 Cb 0.66 -0.55 -0.07 0.00 -2.33 0.00 0.00 43.42 41.12 1ud4 n LEU 335 CO 0.29 1.71 0.94 1.21 -1.33 0.00 0.00 177.39 180.21 1ud4 n GLU 336 N -0.90 0.74 -2.68 3.23 2.13 -0.89 -4.02 120.64 118.24 1ud4 n GLU 336 Ca 0.43 0.27 -0.05 0.00 0.66 0.00 0.00 57.16 58.46 1ud4 n GLU 336 Cb 0.91 -1.87 0.09 0.00 0.27 0.00 0.00 31.44 30.84 1ud4 n GLU 336 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1ud4 n SER 337 N 3.04 -1.55 -4.72 4.31 3.41 -0.88 -4.98 113.62 112.26 1ud4 n SER 337 Ca 0.22 -2.34 -0.42 0.00 -0.26 0.00 0.00 58.87 56.07 1ud4 n SER 337 Cb 0.12 1.32 -0.03 0.00 -0.26 0.00 0.00 64.21 65.36 1ud4 n SER 337 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1ud4 s TRP 338 N 0.11 3.53 -0.30 7.33 -0.11 -1.15 -4.71 118.94 123.64 1ud4 s TRP 338 Ca 0.18 1.47 -0.21 0.00 1.22 0.00 0.00 56.10 58.77 1ud4 s TRP 338 Cb 0.27 -3.31 -0.01 0.00 -1.50 0.00 0.00 33.47 28.92 1ud4 s TRP 338 CO -0.13 -0.79 0.65 0.08 -4.62 0.00 0.00 176.95 172.14 1ud4 s VAL 339 N 0.78 4.92 0.94 5.86 1.01 -1.26 -4.90 120.40 127.75 1ud4 s VAL 339 Ca 0.55 0.89 -0.11 0.00 0.00 0.00 0.00 61.98 63.32 1ud4 s VAL 339 Cb -0.27 -4.02 0.14 0.00 0.00 0.00 0.00 36.38 32.23 1ud4 s VAL 339 CO 0.30 -0.15 1.00 0.00 0.00 0.00 0.00 175.10 176.25 1ud4 n ALA 340 N 5.91 -1.25 -0.28 5.51 0.00 -1.26 -4.61 120.51 124.53 1ud4 n ALA 340 Ca -0.00 -0.60 0.09 0.00 0.00 0.00 0.00 53.44 52.92 1ud4 n ALA 340 Cb 0.49 -2.11 0.32 0.00 0.00 0.00 0.00 19.45 18.14 1ud4 n ALA 340 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ud4 h ASP 341 N -1.88 0.76 -0.29 0.00 3.45 -1.99 -0.65 116.42 115.81 1ud4 h ASP 341 Ca -0.44 0.03 -0.06 0.00 0.43 0.00 0.00 57.03 56.99 1ud4 h ASP 341 Cb 1.28 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 39.90 1ud4 h ASP 341 CO 0.40 0.43 0.01 4.11 -1.57 0.00 0.00 179.24 182.62 1ud4 h TRP 342 N 0.82 0.65 0.00 4.55 5.08 -1.96 -3.19 115.95 121.90 1ud4 h TRP 342 Ca 0.42 -0.07 -0.17 0.00 1.08 0.00 0.00 58.89 60.15 1ud4 h TRP 342 Cb 0.50 -0.18 -0.03 0.00 -3.00 0.00 0.00 29.16 26.44 1ud4 h TRP 342 CO -0.00 0.62 -1.68 0.34 -1.28 0.00 0.00 178.44 176.43 1ud4 n PHE 343 N -4.26 0.63 -0.30 0.12 7.35 -0.94 -4.49 117.46 115.56 1ud4 n PHE 343 Ca 0.02 0.21 0.14 0.00 -0.76 0.00 0.00 57.45 57.05 1ud4 n PHE 343 Cb 0.26 -0.96 0.31 0.00 0.35 0.00 0.00 39.48 39.44 1ud4 n PHE 343 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1ud4 h LYS 344 N 0.00 0.34 -0.82 -4.13 3.64 -1.11 -0.58 116.57 113.90 1ud4 h LYS 344 Ca -0.20 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1ud4 h LYS 344 Cb 1.58 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 33.28 1ud4 h LYS 344 CO 0.03 0.23 0.52 -1.35 -2.27 0.00 0.00 179.45 176.61 1ud4 h PRO 345 N 0.35 1.10 -0.63 1.90 0.11 -1.79 -0.54 132.00 132.51 1ud4 h PRO 345 Ca 0.57 -0.08 -0.08 0.00 0.11 0.00 0.00 66.00 66.52 1ud4 h PRO 345 Cb 1.11 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 31.95 1ud4 h PRO 345 CO -0.56 0.75 0.08 -0.07 -0.21 0.00 0.00 178.00 178.00 1ud4 h LEU 346 N 1.12 1.00 -0.38 2.35 4.07 -1.40 -1.18 115.31 120.89 1ud4 h LEU 346 Ca 0.30 -0.24 -0.08 0.00 0.08 0.00 0.00 57.88 57.94 1ud4 h LEU 346 Cb -0.09 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.38 1ud4 h LEU 346 CO -0.06 1.00 -0.06 0.00 -1.08 0.00 0.00 178.44 178.24 1ud4 h ALA 347 N 1.11 0.52 -0.32 1.53 0.00 -0.97 -2.08 119.26 119.05 1ud4 h ALA 347 Ca 0.19 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1ud4 h ALA 347 Cb 0.45 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1ud4 h ALA 347 CO 0.01 0.35 -0.19 1.88 0.00 0.00 0.00 179.25 181.30 1ud4 h TYR 348 N 0.52 0.66 -0.69 0.00 0.05 -0.96 -2.47 116.97 114.08 1ud4 h TYR 348 Ca 0.10 -0.13 -0.06 0.00 0.05 0.00 0.00 58.73 58.69 1ud4 h TYR 348 Cb 0.56 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 38.11 1ud4 h TYR 348 CO 0.05 0.75 0.17 0.00 -1.05 0.00 0.00 178.16 178.07 1ud4 h ALA 349 N 1.26 1.01 -0.89 3.88 0.00 -1.10 -0.42 119.26 122.99 1ud4 h ALA 349 Ca 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ud4 h ALA 349 Cb 0.63 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1ud4 h ALA 349 CO 0.04 0.65 0.56 1.15 0.00 0.00 0.00 179.25 181.65 1ud4 h THR 350 N 1.03 1.24 0.00 0.00 2.02 -0.98 -1.00 112.91 115.22 1ud4 h THR 350 Ca 0.22 -0.49 -0.09 0.00 0.77 0.00 0.00 66.41 66.82 1ud4 h THR 350 Cb 0.35 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 1ud4 h THR 350 CO 0.00 0.24 -1.10 0.16 0.37 0.00 0.00 175.52 175.19 1ud4 h ILE 351 N 1.22 0.30 0.02 3.11 3.07 -1.25 -3.35 117.51 120.63 1ud4 h ILE 351 Ca 0.32 -1.56 -0.31 0.00 1.55 0.00 0.00 64.86 64.87 1ud4 h ILE 351 Cb -0.09 1.85 -0.04 0.00 -0.27 0.00 0.00 36.82 38.27 1ud4 h ILE 351 CO -0.06 0.17 -1.77 0.18 -1.05 0.00 0.00 178.15 175.62 1ud4 n LEU 352 N -2.84 1.17 -0.68 0.16 4.77 -0.19 -4.43 117.00 114.96 1ud4 n LEU 352 Ca -0.04 0.38 0.11 0.00 -0.03 0.00 0.00 56.01 56.43 1ud4 n LEU 352 Cb 0.70 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.77 1ud4 n LEU 352 CO 0.41 0.47 0.43 0.35 -1.33 0.00 0.00 177.39 177.72 1ud4 n THR 353 N -3.12 0.00 -3.41 -5.08 -2.24 -0.39 -4.49 114.28 95.55 1ud4 n THR 353 Ca -0.20 -0.36 -0.27 0.00 -2.27 0.00 0.00 64.05 60.96 1ud4 n THR 353 Cb 1.05 1.35 -0.02 0.00 -2.10 0.00 0.00 70.33 70.61 1ud4 n THR 353 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ud4 s ARG 354 N -2.27 3.56 0.34 -0.78 0.52 -1.26 -4.89 118.95 114.17 1ud4 s ARG 354 Ca 0.22 -0.17 0.17 0.00 -0.52 0.00 0.00 55.73 55.43 1ud4 s ARG 354 Cb 0.19 -2.69 0.47 0.00 0.52 0.00 0.00 34.95 33.44 1ud4 s ARG 354 CO 0.46 0.22 1.63 1.05 0.02 0.00 0.00 175.30 178.69 1ud4 h GLU 355 N 1.43 0.00 -6.53 3.54 4.11 -1.93 -3.46 114.58 111.75 1ud4 h GLU 355 Ca -0.48 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 58.42 1ud4 h GLU 355 Cb 1.20 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1ud4 h GLU 355 CO 0.65 0.44 -0.05 0.20 0.07 0.00 0.00 179.01 180.32 1ud4 s GLY 356 N -4.40 2.27 0.00 1.06 0.00 -1.26 -4.97 107.32 100.02 1ud4 s GLY 356 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.53 1ud4 s GLY 356 CO 0.71 -0.04 0.00 0.61 0.00 0.00 0.00 173.10 174.38 1ud4 n GLY 357 N -0.26 -1.10 3.16 0.20 0.00 -0.66 -4.86 105.19 101.66 1ud4 n GLY 357 Ca 0.01 -1.55 -0.38 0.00 0.00 0.00 0.00 46.02 44.10 1ud4 n GLY 357 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ud4 s TYR 358 N -3.11 3.52 0.39 1.61 5.04 0.11 -4.92 117.35 120.00 1ud4 s TYR 358 Ca 0.00 -2.23 -0.26 0.00 -2.44 0.00 0.00 57.07 52.15 1ud4 s TYR 358 Cb 0.00 -3.34 -0.09 0.00 0.35 0.00 0.00 41.96 38.88 1ud4 s TYR 358 CO 0.00 -0.97 1.18 -1.25 -1.34 0.00 0.00 175.55 173.17 1ud4 s PRO 359 N 1.13 4.08 -0.09 4.97 0.04 -1.26 -1.69 135.00 142.18 1ud4 s PRO 359 Ca 0.08 1.88 0.03 0.00 0.04 0.00 0.00 61.00 63.03 1ud4 s PRO 359 Cb -0.24 -2.72 0.01 0.00 0.04 0.00 0.00 34.50 31.59 1ud4 s PRO 359 CO -0.03 -0.31 -0.18 1.21 0.04 0.00 0.00 177.00 177.73 1ud4 s ASN 360 N -1.06 2.50 -0.12 6.66 2.47 0.78 -1.27 114.94 124.90 1ud4 s ASN 360 Ca 0.56 -0.44 -0.15 0.00 0.42 0.00 0.00 52.86 53.25 1ud4 s ASN 360 Cb -0.32 -1.15 -0.05 0.00 -1.45 0.00 0.00 41.25 38.29 1ud4 s ASN 360 CO 0.40 0.09 0.35 -0.69 -3.72 0.00 0.00 177.10 173.53 1ud4 s VAL 361 N 0.54 5.24 -0.16 -5.21 1.01 0.10 -4.46 120.40 117.46 1ud4 s VAL 361 Ca -0.16 0.68 -0.21 0.00 0.00 0.00 0.00 61.98 62.29 1ud4 s VAL 361 Cb -0.17 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1ud4 s VAL 361 CO 0.06 0.42 0.63 0.12 0.00 0.00 0.00 175.10 176.33 1ud4 s PHE 362 N 0.15 3.43 0.30 5.22 5.36 -1.26 -0.68 117.98 130.49 1ud4 s PHE 362 Ca 0.20 0.99 0.05 0.00 -0.96 0.00 0.00 56.93 57.21 1ud4 s PHE 362 Cb -0.14 -2.78 0.69 0.00 -0.34 0.00 0.00 43.02 40.45 1ud4 s PHE 362 CO 0.07 -0.09 1.81 -0.92 -1.46 0.00 0.00 175.22 174.62 1ud4 h TYR 363 N 7.26 1.07 -0.53 10.12 5.03 -1.54 0.19 116.97 138.56 1ud4 h TYR 363 Ca -0.34 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.00 1ud4 h TYR 363 Cb 1.16 -0.33 -0.03 0.00 1.55 0.00 0.00 36.73 39.08 1ud4 h TYR 363 CO 0.69 0.32 0.33 0.78 -1.32 0.00 0.00 178.16 178.96 1ud4 h GLY 364 N 0.84 0.75 1.13 1.82 0.00 -1.81 0.13 103.07 105.94 1ud4 h GLY 364 Ca 0.54 -0.30 -0.31 0.00 0.00 0.00 0.00 47.33 47.27 1ud4 h GLY 364 CO -0.32 0.29 -1.35 -0.55 0.00 0.00 0.00 176.54 174.61 1ud4 h ASP 365 N 0.72 0.77 -0.01 0.19 3.32 -1.33 -0.05 116.42 120.03 1ud4 h ASP 365 Ca 0.19 -0.93 -0.00 0.00 0.02 0.00 0.00 57.03 56.31 1ud4 h ASP 365 Cb -0.04 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.26 1ud4 h ASP 365 CO -0.04 1.65 0.00 0.22 -1.72 0.00 0.00 179.24 179.36 1ud4 h TYR 366 N 0.03 0.02 -0.00 4.55 3.20 -0.66 0.44 116.97 124.55 1ud4 h TYR 366 Ca -0.24 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.63 1ud4 h TYR 366 Cb 2.06 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 40.33 1ud4 h TYR 366 CO 0.14 0.21 -0.68 0.66 -1.64 0.00 0.00 178.16 176.85 1ud4 n TYR 367 N -4.98 0.00 0.00 -3.82 4.01 0.43 -2.26 117.16 110.54 1ud4 n TYR 367 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1ud4 n TYR 367 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 1ud4 n TYR 367 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ud4 n GLY 368 N 1.37 0.45 2.69 2.72 0.00 -0.03 -4.13 105.19 108.26 1ud4 n GLY 368 Ca 0.05 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 1ud4 n GLY 368 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ud4 s ILE 369 N -2.06 1.36 0.33 -0.61 1.01 0.20 -4.58 121.20 116.85 1ud4 s ILE 369 Ca 0.00 -2.62 0.09 0.00 0.00 0.00 0.00 60.65 58.12 1ud4 s ILE 369 Cb 0.00 -1.95 0.32 0.00 0.01 0.00 0.00 42.46 40.84 1ud4 s ILE 369 CO 0.00 -0.93 1.78 -0.65 0.00 0.00 0.00 174.94 175.15 1ud4 h PRO 370 N 6.60 0.64 -0.60 2.79 0.11 -1.91 -0.88 132.00 138.75 1ud4 h PRO 370 Ca 0.02 -0.04 0.17 0.00 0.11 0.00 0.00 66.00 66.27 1ud4 h PRO 370 Cb 0.92 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 1ud4 h PRO 370 CO 0.48 0.43 0.44 -0.97 -0.21 0.00 0.00 178.00 178.17 1ud4 h ASN 371 N 0.66 0.00 0.00 -2.05 -1.24 -1.94 -1.70 115.58 109.31 1ud4 h ASN 371 Ca 0.57 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.58 1ud4 h ASN 371 Cb 1.03 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.07 1ud4 h ASN 371 CO -0.35 0.00 -0.12 0.47 -1.29 0.00 0.00 177.43 176.14 1ud4 n ASP 372 N -4.32 2.07 -3.96 1.15 8.00 -0.44 -4.98 116.55 114.07 1ud4 n ASP 372 Ca 0.11 -3.10 -0.31 0.00 0.71 0.00 0.00 54.79 52.21 1ud4 n ASP 372 Cb 0.68 -0.42 0.02 0.00 -0.02 0.00 0.00 41.12 41.38 1ud4 n ASP 372 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ud4 n ASN 373 N -1.26 -4.64 -4.57 -2.24 5.03 -0.64 -4.94 115.26 102.00 1ud4 n ASN 373 Ca 0.15 -0.81 -0.40 0.00 0.87 0.00 0.00 54.58 54.39 1ud4 n ASN 373 Cb 0.66 -3.71 -0.09 0.00 -1.02 0.00 0.00 39.78 35.61 1ud4 n ASN 373 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1ud4 s ILE 374 N -3.29 5.19 0.66 2.41 1.01 -0.60 -4.98 121.20 121.60 1ud4 s ILE 374 Ca 0.68 0.24 -0.16 0.00 0.00 0.00 0.00 60.65 61.41 1ud4 s ILE 374 Cb -0.35 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.39 1ud4 s ILE 374 CO 0.84 0.04 1.16 -0.94 0.00 0.00 0.00 174.94 176.04 1ud4 s SER 375 N 1.71 4.89 0.17 3.58 1.04 -1.26 -0.62 113.70 123.20 1ud4 s SER 375 Ca 0.12 2.20 -0.30 0.00 0.48 0.00 0.00 55.95 58.45 1ud4 s SER 375 Cb -0.16 -2.57 -0.08 0.00 0.10 0.00 0.00 66.02 63.30 1ud4 s SER 375 CO 0.11 -1.78 1.28 0.00 0.98 0.00 0.00 173.24 173.83 1ud4 s ALA 376 N -2.03 3.50 -0.59 5.32 0.00 -1.26 -4.21 121.76 122.48 1ud4 s ALA 376 Ca 0.72 1.04 0.16 0.00 0.00 0.00 0.00 51.96 53.88 1ud4 s ALA 376 Cb -0.25 -3.47 0.63 0.00 0.00 0.00 0.00 23.12 20.03 1ud4 s ALA 376 CO 0.40 -0.49 1.55 1.63 0.00 0.00 0.00 175.76 178.84 1ud4 n LYS 377 N 2.92 3.65 -0.31 0.00 4.76 0.15 -4.68 118.16 124.65 1ud4 n LYS 377 Ca 0.07 -2.84 0.15 0.00 -2.87 0.00 0.00 58.31 52.83 1ud4 n LYS 377 Cb 0.44 -1.89 0.34 0.00 -1.84 0.00 0.00 35.03 32.07 1ud4 n LYS 377 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1ud4 h LYS 378 N 3.07 0.29 0.21 1.97 3.64 -1.61 -0.31 116.57 123.82 1ud4 h LYS 378 Ca 0.00 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1ud4 h LYS 378 Cb 1.48 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.21 1ud4 h LYS 378 CO 0.26 0.19 -0.31 -0.44 -2.27 0.00 0.00 179.45 176.88 1ud4 h ASP 379 N 0.29 -0.88 -0.11 4.20 3.45 -1.89 0.20 116.42 121.69 1ud4 h ASP 379 Ca 0.60 0.09 -0.01 0.00 0.43 0.00 0.00 57.03 58.14 1ud4 h ASP 379 Cb 1.22 0.32 -0.00 0.00 -0.56 0.00 0.00 39.33 40.31 1ud4 h ASP 379 CO -0.61 -0.42 0.04 -0.03 -1.57 0.00 0.00 179.24 176.65 1ud4 h MET 380 N -0.59 0.16 -0.75 3.56 4.05 -1.72 -3.10 114.93 116.54 1ud4 h MET 380 Ca 0.01 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 1ud4 h MET 380 Cb 0.58 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.32 1ud4 h MET 380 CO -0.13 0.29 0.44 0.82 0.23 0.00 0.00 176.91 178.56 1ud4 h ILE 381 N 0.01 1.22 -0.58 1.77 2.04 -0.95 -2.56 117.51 118.45 1ud4 h ILE 381 Ca 0.04 -0.49 0.05 0.00 1.00 0.00 0.00 64.86 65.45 1ud4 h ILE 381 Cb 0.19 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 1ud4 h ILE 381 CO -0.00 0.23 0.39 0.44 0.00 0.00 0.00 178.15 179.20 1ud4 h ASP 382 N 1.03 0.53 -0.35 1.72 3.32 -0.57 0.22 116.42 122.33 1ud4 h ASP 382 Ca 0.27 -0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.16 1ud4 h ASP 382 Cb -0.02 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1ud4 h ASP 382 CO -0.05 0.36 -0.37 -0.33 -1.72 0.00 0.00 179.24 177.13 1ud4 h GLU 383 N 0.61 0.90 -0.01 3.56 5.08 -1.39 0.78 114.58 124.10 1ud4 h GLU 383 Ca 0.24 -0.46 -0.13 0.00 -1.00 0.00 0.00 59.36 58.01 1ud4 h GLU 383 Cb 0.19 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1ud4 h GLU 383 CO -0.07 1.11 -0.62 -0.07 -1.00 0.00 0.00 179.01 178.37 1ud4 h LEU 384 N 0.74 0.06 -0.56 1.33 3.38 -0.98 -1.30 115.31 117.98 1ud4 h LEU 384 Ca 0.06 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 1ud4 h LEU 384 Cb 0.95 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1ud4 h LEU 384 CO 0.09 0.66 -0.66 -0.07 0.09 0.00 0.00 178.44 178.56 1ud4 h LEU 385 N 0.04 0.32 -0.41 1.67 3.38 -0.36 -0.64 115.31 119.31 1ud4 h LEU 385 Ca -0.01 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 1ud4 h LEU 385 Cb 1.10 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1ud4 h LEU 385 CO 0.08 0.89 0.05 -0.78 0.09 0.00 0.00 178.44 178.77 1ud4 h ASP 386 N 0.20 0.66 -0.26 -0.43 3.58 -0.54 0.25 116.42 119.87 1ud4 h ASP 386 Ca -0.01 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.17 1ud4 h ASP 386 Cb 1.19 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.05 1ud4 h ASP 386 CO 0.10 0.77 0.17 0.00 -2.88 0.00 0.00 179.24 177.40 1ud4 h ALA 387 N 0.92 0.33 -0.08 -0.78 0.00 -1.00 -1.05 119.26 117.61 1ud4 h ALA 387 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1ud4 h ALA 387 Cb 0.40 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1ud4 h ALA 387 CO 0.01 -0.19 0.02 -0.09 0.00 0.00 0.00 179.25 179.00 1ud4 h ARG 388 N 0.35 0.12 -0.86 0.00 2.43 -0.88 0.56 114.38 116.10 1ud4 h ARG 388 Ca 0.10 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1ud4 h ARG 388 Cb -0.03 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 1ud4 h ARG 388 CO -0.02 0.30 0.45 0.37 -1.51 0.00 0.00 179.97 179.56 1ud4 h GLN 389 N -0.08 1.22 0.00 0.20 4.15 -0.41 -3.30 115.11 116.88 1ud4 h GLN 389 Ca 0.02 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.29 1ud4 h GLN 389 Cb 0.23 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1ud4 h GLN 389 CO -0.00 0.91 -0.99 0.09 -1.93 0.00 0.00 178.83 176.91 1ud4 n ASN 390 N -4.34 3.01 -0.00 -0.69 3.02 -0.41 -4.69 115.26 111.17 1ud4 n ASN 390 Ca 0.09 -0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1ud4 n ASN 390 Cb 0.11 1.17 -0.01 0.00 -0.61 0.00 0.00 39.78 40.45 1ud4 n ASN 390 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1ud4 n TYR 391 N -1.54 0.00 -2.05 3.10 4.01 0.16 -4.31 117.16 116.53 1ud4 n TYR 391 Ca -0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 1ud4 n TYR 391 Cb 0.12 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.11 1ud4 n TYR 391 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ud4 n ALA 392 N -1.78 4.03 -2.15 -0.72 0.00 0.94 0.01 120.51 120.84 1ud4 n ALA 392 Ca -0.01 -3.70 -0.07 0.00 0.00 0.00 0.00 53.44 49.66 1ud4 n ALA 392 Cb 0.27 -3.57 -0.10 0.00 0.00 0.00 0.00 19.45 16.05 1ud4 n ALA 392 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ud4 s TYR 393 N 4.77 0.50 0.00 0.00 2.02 -1.26 -4.95 117.35 118.43 1ud4 s TYR 393 Ca 0.54 -1.04 0.00 0.00 -0.37 0.00 0.00 57.07 56.20 1ud4 s TYR 393 Cb 0.08 -0.38 0.00 0.00 -0.40 0.00 0.00 41.96 41.27 1ud4 s TYR 393 CO 0.03 -0.37 0.00 0.41 -1.57 0.00 0.00 175.55 174.05 1ud4 n GLY 394 N 0.21 -0.93 3.61 0.71 0.00 -1.26 0.44 105.19 107.96 1ud4 n GLY 394 Ca -0.15 -1.67 -0.50 0.00 0.00 0.00 0.00 46.02 43.71 1ud4 n GLY 394 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ud4 n THR 395 N -1.01 0.27 -3.99 2.61 -1.04 -1.26 -4.37 114.28 105.49 1ud4 n THR 395 Ca 0.00 -0.07 -0.32 0.00 -2.04 0.00 0.00 64.05 61.62 1ud4 n THR 395 Cb 0.00 -0.98 -0.05 0.00 -1.82 0.00 0.00 70.33 67.47 1ud4 n THR 395 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1ud4 s GLN 396 N 0.30 3.23 -0.06 -2.82 0.74 -1.26 -0.79 119.66 119.00 1ud4 s GLN 396 Ca 0.80 -0.47 -0.00 0.00 0.05 0.00 0.00 55.36 55.74 1ud4 s GLN 396 Cb -0.87 -2.95 0.02 0.00 1.10 0.00 0.00 33.01 30.32 1ud4 s GLN 396 CO 0.47 0.63 -0.03 -1.01 -0.55 0.00 0.00 175.29 174.80 1ud4 s HIS 397 N -1.35 0.74 0.05 1.67 3.76 -0.55 -4.96 115.29 114.64 1ud4 s HIS 397 Ca 0.28 -0.21 -0.00 0.00 -0.15 0.00 0.00 55.06 54.98 1ud4 s HIS 397 Cb -0.12 -0.74 -0.04 0.00 1.11 0.00 0.00 32.58 32.79 1ud4 s HIS 397 CO 0.20 -0.26 0.18 -0.51 -0.85 0.00 0.00 174.74 173.50 1ud4 s ASP 398 N 1.39 6.23 -0.39 1.40 1.01 -1.26 -0.36 116.67 124.68 1ud4 s ASP 398 Ca -0.04 0.25 0.08 0.00 0.71 0.00 0.00 52.55 53.55 1ud4 s ASP 398 Cb -0.13 -1.89 0.26 0.00 1.01 0.00 0.00 42.92 42.16 1ud4 s ASP 398 CO -0.03 0.19 0.56 -1.22 0.21 0.00 0.00 175.17 174.88 1ud4 n TYR 399 N 0.49 -0.44 -2.53 4.23 4.02 0.46 -4.96 117.16 118.42 1ud4 n TYR 399 Ca -0.07 -3.51 -0.41 0.00 -0.01 0.00 0.00 57.90 53.90 1ud4 n TYR 399 Cb 0.51 -0.27 0.01 0.00 -0.02 0.00 0.00 39.34 39.57 1ud4 n TYR 399 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1ud4 n PHE 400 N 1.31 2.64 -0.55 -0.72 3.01 -1.26 -2.18 117.46 119.72 1ud4 n PHE 400 Ca 0.21 -2.64 0.06 0.00 1.01 0.00 0.00 57.45 56.10 1ud4 n PHE 400 Cb 0.55 -1.41 0.17 0.00 -0.01 0.00 0.00 39.48 38.78 1ud4 n PHE 400 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1ud4 n ASP 401 N 0.85 3.06 -3.81 4.37 5.68 -1.26 -4.67 116.55 120.77 1ud4 n ASP 401 Ca 0.47 -2.49 -0.12 0.00 -0.50 0.00 0.00 54.79 52.14 1ud4 n ASP 401 Cb 0.28 -0.33 -0.10 0.00 -1.14 0.00 0.00 41.12 39.82 1ud4 n ASP 401 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 1ud4 s HIS 402 N -1.87 -0.12 0.42 2.11 5.04 -1.24 -5.05 115.29 114.59 1ud4 s HIS 402 Ca 0.28 0.22 0.29 0.00 -1.54 0.00 0.00 55.06 54.31 1ud4 s HIS 402 Cb 0.20 0.04 1.54 0.00 0.04 0.00 0.00 32.58 34.40 1ud4 s HIS 402 CO 0.09 -0.27 2.10 0.11 -2.34 0.00 0.00 174.74 174.44 1ud4 h TRP 403 N 4.62 0.00 0.00 3.88 0.09 -1.94 -3.32 115.95 119.29 1ud4 h TRP 403 Ca -0.29 0.00 -0.10 0.00 0.09 0.00 0.00 58.89 58.60 1ud4 h TRP 403 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.41 1ud4 h TRP 403 CO 0.51 0.09 -1.03 -0.25 0.09 0.00 0.00 178.44 177.86 1ud4 n ASP 404 N -3.57 1.04 -4.55 0.11 8.00 -1.26 -0.97 116.55 115.34 1ud4 n ASP 404 Ca -0.02 0.16 -0.41 0.00 0.71 0.00 0.00 54.79 55.23 1ud4 n ASP 404 Cb 0.22 -0.39 -0.08 0.00 -0.02 0.00 0.00 41.12 40.86 1ud4 n ASP 404 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ud4 s VAL 405 N -2.25 5.02 0.12 2.53 1.01 -1.26 -2.90 120.40 122.67 1ud4 s VAL 405 Ca -0.13 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.17 1ud4 s VAL 405 Cb 0.04 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1ud4 s VAL 405 CO 0.17 -0.24 -0.09 0.68 0.00 0.00 0.00 175.10 175.63 1ud4 s VAL 406 N 2.38 0.96 0.11 2.92 -7.23 -0.85 -3.66 120.40 115.04 1ud4 s VAL 406 Ca 0.18 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.16 1ud4 s VAL 406 Cb -0.15 -1.77 0.07 0.00 0.56 0.00 0.00 36.38 35.09 1ud4 s VAL 406 CO 0.13 -0.80 0.93 0.61 -0.31 0.00 0.00 175.10 175.67 1ud4 n GLY 407 N -0.12 0.60 3.58 2.32 0.00 -0.93 -1.31 105.19 109.34 1ud4 n GLY 407 Ca -0.11 -1.09 -0.08 0.00 0.00 0.00 0.00 46.02 44.73 1ud4 n GLY 407 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1ud4 s TRP 408 N -2.56 -0.34 0.23 1.61 -2.14 -0.13 -0.41 118.94 115.20 1ud4 s TRP 408 Ca 0.21 0.09 0.04 0.00 2.66 0.00 0.00 56.10 59.10 1ud4 s TRP 408 Cb -0.02 0.59 -0.05 0.00 -3.10 0.00 0.00 33.47 30.89 1ud4 s TRP 408 CO 0.03 -0.81 -0.02 0.95 -2.66 0.00 0.00 176.95 174.45 1ud4 s THR 409 N -3.48 1.10 -0.07 0.66 -4.23 0.51 -0.58 115.64 109.55 1ud4 s THR 409 Ca 0.06 -2.04 -0.02 0.00 -1.18 0.00 0.00 61.69 58.51 1ud4 s THR 409 Cb -0.02 -2.31 0.03 0.00 1.34 0.00 0.00 72.50 71.54 1ud4 s THR 409 CO -0.05 -0.36 0.01 -0.13 -0.54 0.00 0.00 174.62 173.55 1ud4 s ARG 410 N -3.84 0.50 0.58 3.99 1.81 -0.27 -1.49 118.95 120.22 1ud4 s ARG 410 Ca 0.27 0.14 0.36 0.00 -1.72 0.00 0.00 55.73 54.78 1ud4 s ARG 410 Cb 0.05 -0.93 1.72 0.00 -0.45 0.00 0.00 34.95 35.34 1ud4 s ARG 410 CO 0.08 -0.32 2.13 0.93 -0.68 0.00 0.00 175.30 177.44 1ud4 h GLU 411 N 8.34 0.00 0.00 3.54 5.08 -1.05 -1.47 114.58 129.02 1ud4 h GLU 411 Ca -0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1ud4 h GLU 411 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1ud4 h GLU 411 CO 0.24 0.03 0.00 0.41 -1.00 0.00 0.00 179.01 178.70 1ud4 n GLY 412 N -0.48 -0.74 3.24 -3.84 0.00 0.17 -4.55 105.19 98.99 1ud4 n GLY 412 Ca -0.01 -1.65 -0.25 0.00 0.00 0.00 0.00 46.02 44.11 1ud4 n GLY 412 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ud4 s SER 413 N -2.73 2.42 0.29 1.61 1.04 -1.26 -4.16 113.70 110.91 1ud4 s SER 413 Ca 0.00 -0.51 0.02 0.00 0.48 0.00 0.00 55.95 55.94 1ud4 s SER 413 Cb 0.00 -0.20 0.58 0.00 0.10 0.00 0.00 66.02 66.49 1ud4 s SER 413 CO 0.00 0.16 1.84 0.77 0.98 0.00 0.00 173.24 176.99 1ud4 h SER 414 N 4.93 0.91 -0.46 7.02 4.64 -1.97 -0.60 113.55 128.02 1ud4 h SER 414 Ca -0.42 0.04 0.09 0.00 -0.47 0.00 0.00 61.79 61.04 1ud4 h SER 414 Cb 1.16 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 1ud4 h SER 414 CO 0.44 0.49 0.31 0.77 -0.87 0.00 0.00 176.83 177.97 1ud4 h SER 415 N 0.98 0.19 -4.06 4.97 4.64 -2.03 -3.30 113.55 114.93 1ud4 h SER 415 Ca 0.49 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 61.14 1ud4 h SER 415 Cb 0.49 -0.04 -0.38 0.00 -0.31 0.00 0.00 62.40 62.17 1ud4 h SER 415 CO -0.25 0.11 -0.52 -0.60 -0.87 0.00 0.00 176.83 174.70 1ud4 s ARG 416 N -5.22 2.15 0.29 4.77 3.52 -0.23 -5.09 118.95 119.15 1ud4 s ARG 416 Ca -0.06 -2.37 -0.27 0.00 -0.13 0.00 0.00 55.73 52.89 1ud4 s ARG 416 Cb 0.19 -3.51 -0.14 0.00 -1.56 0.00 0.00 34.95 29.93 1ud4 s ARG 416 CO 0.73 -1.11 0.90 -2.30 -0.81 0.00 0.00 175.30 172.71 1ud4 n PRO 417 N 3.63 1.10 -0.80 5.12 -0.02 -1.25 -1.89 135.00 140.89 1ud4 n PRO 417 Ca 0.05 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1ud4 n PRO 417 Cb 0.37 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 1ud4 n PRO 417 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ud4 n ASN 418 N 1.30 -2.38 -4.78 2.55 4.13 -1.26 -4.97 115.26 109.85 1ud4 n ASN 418 Ca 0.11 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 56.06 1ud4 n ASN 418 Cb 0.32 -2.21 0.08 0.00 -1.54 0.00 0.00 39.78 36.43 1ud4 n ASN 418 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1ud4 s SER 419 N -2.15 4.70 0.00 6.41 1.04 -0.79 -4.52 113.70 118.39 1ud4 s SER 419 Ca 0.00 1.81 0.00 0.00 0.48 0.00 0.00 55.95 58.24 1ud4 s SER 419 Cb 0.00 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.60 1ud4 s SER 419 CO 0.00 -1.91 0.00 0.61 0.98 0.00 0.00 173.24 172.92 1ud4 n GLY 420 N -1.24 4.08 3.63 7.32 0.00 0.10 -4.28 105.19 114.80 1ud4 n GLY 420 Ca 0.09 -1.37 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 1ud4 n GLY 420 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ud4 s LEU 421 N 0.00 -0.23 -0.12 0.99 0.05 -0.55 -4.42 118.68 114.39 1ud4 s LEU 421 Ca 0.00 -0.42 -0.03 0.00 0.05 0.00 0.00 54.13 53.73 1ud4 s LEU 421 Cb 0.00 2.50 0.05 0.00 -2.05 0.00 0.00 46.19 46.68 1ud4 s LEU 421 CO 0.00 -1.16 0.05 0.00 -0.55 0.00 0.00 176.35 174.69 1ud4 s ALA 422 N -3.86 0.61 -0.20 1.48 0.00 0.18 -1.12 121.76 118.85 1ud4 s ALA 422 Ca 0.08 -0.26 -0.09 0.00 0.00 0.00 0.00 51.96 51.70 1ud4 s ALA 422 Cb -0.03 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1ud4 s ALA 422 CO -0.01 -0.84 0.10 0.99 0.00 0.00 0.00 175.76 175.99 1ud4 s THR 423 N 2.03 5.04 -0.00 0.00 2.01 0.26 0.09 115.64 125.06 1ud4 s THR 423 Ca 0.03 0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.09 1ud4 s THR 423 Cb -0.14 -3.30 -0.00 0.00 0.01 0.00 0.00 72.50 69.07 1ud4 s THR 423 CO -0.07 0.43 -0.02 -0.51 -0.69 0.00 0.00 174.62 173.77 1ud4 s ILE 424 N 0.52 0.14 0.25 1.82 2.07 -0.41 -0.96 121.20 124.63 1ud4 s ILE 424 Ca 0.05 -0.08 -0.12 0.00 -1.41 0.00 0.00 60.65 59.10 1ud4 s ILE 424 Cb -0.12 -0.13 -0.00 0.00 0.13 0.00 0.00 42.46 42.34 1ud4 s ILE 424 CO 0.00 0.04 0.48 0.00 -1.91 0.00 0.00 174.94 173.55 1ud4 s MET 425 N -0.03 1.58 -0.20 3.50 0.23 -0.43 -0.46 119.30 123.49 1ud4 s MET 425 Ca 0.01 -1.30 -0.14 0.00 -1.03 0.00 0.00 55.69 53.23 1ud4 s MET 425 Cb -0.01 0.47 0.06 0.00 -1.53 0.00 0.00 34.83 33.82 1ud4 s MET 425 CO -0.00 -0.66 0.51 0.45 -2.03 0.00 0.00 175.02 173.29 1ud4 s SER 426 N -3.04 -0.60 0.00 -1.18 0.15 -0.68 -2.00 113.70 106.35 1ud4 s SER 426 Ca 0.23 1.07 0.21 0.00 0.70 0.00 0.00 55.95 58.16 1ud4 s SER 426 Cb -0.01 1.01 0.54 0.00 -1.71 0.00 0.00 66.02 65.85 1ud4 s SER 426 CO 0.10 -0.19 1.46 -0.46 1.20 0.00 0.00 173.24 175.34 1ud4 n ASN 427 N 3.61 3.28 0.00 5.45 6.94 -1.14 -1.51 115.26 131.90 1ud4 n ASN 427 Ca -0.18 -1.97 0.00 0.00 -0.02 0.00 0.00 54.58 52.40 1ud4 n ASN 427 Cb 0.56 -0.35 0.00 0.00 -2.36 0.00 0.00 39.78 37.64 1ud4 n ASN 427 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ud4 n GLY 428 N 1.48 5.49 3.61 4.83 0.00 -1.26 -3.61 105.19 115.72 1ud4 n GLY 428 Ca 0.20 -1.05 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 1ud4 n GLY 428 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ud4 n PRO 429 N 0.00 0.78 -0.88 1.61 -0.02 -1.26 -1.43 135.00 133.81 1ud4 n PRO 429 Ca 0.00 0.31 -0.30 0.00 -2.02 0.00 0.00 63.50 61.49 1ud4 n PRO 429 Cb 0.00 -2.16 0.25 0.00 -0.02 0.00 0.00 33.50 31.57 1ud4 n PRO 429 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1ud4 s GLY 430 N -1.34 1.54 0.00 -1.23 0.00 -1.26 -4.62 107.32 100.41 1ud4 s GLY 430 Ca 0.76 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 44.67 1ud4 s GLY 430 CO 0.47 0.07 0.00 0.61 0.00 0.00 0.00 173.10 174.25 1ud4 n GLY 431 N -0.27 0.73 3.26 0.20 0.00 0.10 -4.86 105.19 104.36 1ud4 n GLY 431 Ca 0.12 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 1ud4 n GLY 431 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ud4 s SER 432 N 0.81 0.16 -0.28 1.61 1.04 -1.26 -1.09 113.70 114.68 1ud4 s SER 432 Ca 0.00 -1.03 -0.21 0.00 0.48 0.00 0.00 55.95 55.20 1ud4 s SER 432 Cb 0.00 0.38 0.08 0.00 0.10 0.00 0.00 66.02 66.57 1ud4 s SER 432 CO 0.00 -0.82 0.72 -0.75 0.98 0.00 0.00 173.24 173.37 1ud4 s LYS 433 N -4.01 0.76 0.05 4.02 2.20 -0.24 -4.98 119.74 117.55 1ud4 s LYS 433 Ca 0.21 1.08 -0.29 0.00 -0.36 0.00 0.00 55.97 56.61 1ud4 s LYS 433 Cb 0.05 0.27 -0.05 0.00 -1.51 0.00 0.00 37.83 36.60 1ud4 s LYS 433 CO 0.01 -0.12 0.91 -1.58 -0.36 0.00 0.00 175.35 174.21 1ud4 s TRP 434 N 0.97 3.73 0.01 4.03 0.52 -1.26 -1.36 118.94 125.58 1ud4 s TRP 434 Ca -0.05 1.67 -0.01 0.00 0.02 0.00 0.00 56.10 57.73 1ud4 s TRP 434 Cb -0.05 -3.01 -0.01 0.00 -1.15 0.00 0.00 33.47 29.25 1ud4 s TRP 434 CO -0.09 0.15 -0.00 -1.64 0.02 0.00 0.00 176.95 175.38 1ud4 s MET 435 N 0.35 0.18 -0.23 4.98 -1.94 -0.30 -4.96 119.30 117.39 1ud4 s MET 435 Ca 0.46 -0.32 -0.25 0.00 -1.71 0.00 0.00 55.69 53.87 1ud4 s MET 435 Cb -0.22 0.07 -0.01 0.00 2.01 0.00 0.00 34.83 36.69 1ud4 s MET 435 CO 0.27 -0.03 0.85 -0.47 -0.01 0.00 0.00 175.02 175.63 1ud4 s TYR 436 N -0.79 3.33 -1.09 -0.03 5.04 -1.26 -1.80 117.35 120.75 1ud4 s TYR 436 Ca -0.09 1.19 0.11 0.00 -2.44 0.00 0.00 57.07 55.84 1ud4 s TYR 436 Cb -0.05 -3.06 0.25 0.00 0.35 0.00 0.00 41.96 39.44 1ud4 s TYR 436 CO -0.00 -0.38 1.15 1.33 -1.34 0.00 0.00 175.55 176.30 1ud4 n VAL 437 N 5.18 0.71 0.00 3.14 0.24 0.29 -4.75 118.33 123.15 1ud4 n VAL 437 Ca 0.06 -0.86 0.00 0.00 -2.04 0.00 0.00 64.34 61.50 1ud4 n VAL 437 Cb 0.48 0.71 0.00 0.00 -1.47 0.00 0.00 33.84 33.56 1ud4 n VAL 437 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ud4 n GLY 438 N 0.57 1.83 0.36 7.63 0.00 -1.18 -4.12 105.19 110.28 1ud4 n GLY 438 Ca 0.10 -1.21 0.19 0.00 0.00 0.00 0.00 46.02 45.10 1ud4 n GLY 438 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ud4 h ARG 439 N 0.00 0.00 0.00 1.61 2.43 -1.80 0.34 114.38 116.97 1ud4 h ARG 439 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ud4 h ARG 439 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1ud4 h ARG 439 CO 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.46 1ud4 n GLN 440 N -3.65 0.14 -0.32 0.20 0.00 -1.26 -1.96 117.38 110.52 1ud4 n GLN 440 Ca 0.04 0.43 0.11 0.00 0.00 0.00 0.00 57.00 57.59 1ud4 n GLN 440 Cb 0.48 -1.80 0.28 0.00 0.00 0.00 0.00 30.24 29.21 1ud4 n GLN 440 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1ud4 n ASN 441 N -2.06 3.76 -4.66 2.61 3.02 0.11 -5.00 115.26 113.04 1ud4 n ASN 441 Ca 0.02 -1.99 -0.43 0.00 -0.03 0.00 0.00 54.58 52.14 1ud4 n ASN 441 Cb 0.17 -0.42 -0.01 0.00 -0.61 0.00 0.00 39.78 38.91 1ud4 n ASN 441 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ud4 n ALA 442 N 1.51 0.76 0.00 5.41 0.00 -0.83 -2.06 120.51 125.30 1ud4 n ALA 442 Ca 0.22 0.38 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1ud4 n ALA 442 Cb 0.60 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.87 1ud4 n ALA 442 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ud4 n GLY 443 N 1.07 2.28 3.83 0.00 0.00 0.67 -4.97 105.19 108.06 1ud4 n GLY 443 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1ud4 n GLY 443 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ud4 s GLN 444 N -0.27 3.79 -0.25 1.61 -0.21 -0.87 -4.73 119.66 118.73 1ud4 s GLN 444 Ca 0.00 1.02 0.01 0.00 0.02 0.00 0.00 55.36 56.41 1ud4 s GLN 444 Cb 0.00 -2.11 0.04 0.00 1.00 0.00 0.00 33.01 31.95 1ud4 s GLN 444 CO 0.00 -0.41 -0.11 0.99 -2.12 0.00 0.00 175.29 173.64 1ud4 s THR 445 N -2.58 2.36 0.04 -0.19 2.01 -1.26 -0.16 115.64 115.85 1ud4 s THR 445 Ca 0.60 -1.36 -0.04 0.00 0.31 0.00 0.00 61.69 61.20 1ud4 s THR 445 Cb -0.11 -2.27 -0.05 0.00 0.01 0.00 0.00 72.50 70.08 1ud4 s THR 445 CO 0.33 0.12 0.26 0.26 -0.69 0.00 0.00 174.62 174.90 1ud4 s TRP 446 N 1.20 3.55 0.08 4.92 0.52 0.12 -4.52 118.94 124.80 1ud4 s TRP 446 Ca -0.04 0.48 0.04 0.00 0.02 0.00 0.00 56.10 56.60 1ud4 s TRP 446 Cb -0.18 -1.93 -0.03 0.00 -1.15 0.00 0.00 33.47 30.18 1ud4 s TRP 446 CO -0.06 0.58 -0.11 0.95 0.02 0.00 0.00 176.95 178.33 1ud4 s THR 447 N -1.40 0.92 -0.36 2.01 -4.23 -0.42 -0.70 115.64 111.45 1ud4 s THR 447 Ca 0.31 -1.44 -0.28 0.00 -1.18 0.00 0.00 61.69 59.10 1ud4 s THR 447 Cb -0.13 -1.14 -0.02 0.00 1.34 0.00 0.00 72.50 72.56 1ud4 s THR 447 CO 0.20 -0.43 1.76 -0.62 -0.54 0.00 0.00 174.62 174.99 1ud4 s ASP 448 N -2.08 5.88 0.63 3.99 -1.08 -1.26 -2.05 116.67 120.70 1ud4 s ASP 448 Ca 0.00 1.16 0.38 0.00 -0.52 0.00 0.00 52.55 53.58 1ud4 s ASP 448 Cb -0.06 -2.53 2.13 0.00 -1.46 0.00 0.00 42.92 41.00 1ud4 s ASP 448 CO 0.01 -1.74 2.31 -0.07 0.52 0.00 0.00 175.17 176.20 1ud4 h LEU 449 N 13.77 0.00 0.00 -1.34 3.38 -1.48 -2.01 115.31 127.63 1ud4 h LEU 449 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1ud4 h LEU 449 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1ud4 h LEU 449 CO 1.05 0.01 -0.63 0.71 0.09 0.00 0.00 178.44 179.67 1ud4 h THR 450 N 0.00 0.00 0.00 0.22 1.35 -1.91 -3.48 112.91 109.09 1ud4 h THR 450 Ca -0.00 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 1ud4 h THR 450 Cb 0.03 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1ud4 h THR 450 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1ud4 n GLY 451 N 1.17 0.58 0.17 5.82 0.00 -0.76 -4.89 105.19 107.28 1ud4 n GLY 451 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.17 1ud4 n GLY 451 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ud4 h ASN 452 N 0.00 0.00 -3.47 1.61 2.35 -1.85 -3.43 115.58 110.79 1ud4 h ASN 452 Ca 0.00 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.50 1ud4 h ASN 452 Cb 0.05 0.00 -0.32 0.00 0.05 0.00 0.00 38.32 38.10 1ud4 h ASN 452 CO 0.00 0.00 -0.62 0.21 -1.65 0.00 0.00 177.43 175.37 1ud4 s ASN 453 N -5.10 -0.08 0.00 5.81 3.84 -1.26 -4.76 114.94 113.38 1ud4 s ASN 453 Ca 0.07 0.25 0.26 0.00 0.21 0.00 0.00 52.86 53.65 1ud4 s ASN 453 Cb 0.09 0.15 1.19 0.00 -0.55 0.00 0.00 41.25 42.13 1ud4 s ASN 453 CO 0.56 -0.14 1.81 0.61 -2.79 0.00 0.00 177.10 177.15 1ud4 n GLY 454 N 4.11 -0.34 3.77 1.21 0.00 -1.26 -4.34 105.19 108.35 1ud4 n GLY 454 Ca -0.26 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 1ud4 n GLY 454 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ud4 s ALA 455 N -1.95 3.57 -0.32 4.61 0.00 -1.26 -4.98 121.76 121.43 1ud4 s ALA 455 Ca 0.37 1.48 -0.08 0.00 0.00 0.00 0.00 51.96 53.73 1ud4 s ALA 455 Cb 0.19 -3.58 0.02 0.00 0.00 0.00 0.00 23.12 19.75 1ud4 s ALA 455 CO 0.30 -0.93 0.13 -1.12 0.00 0.00 0.00 175.76 174.15 1ud4 s SER 456 N -0.15 5.39 -0.37 0.00 0.01 -1.26 -4.40 113.70 112.92 1ud4 s SER 456 Ca 0.53 -0.81 -0.14 0.00 1.31 0.00 0.00 55.95 56.84 1ud4 s SER 456 Cb -0.45 -1.94 -0.00 0.00 0.21 0.00 0.00 66.02 63.85 1ud4 s SER 456 CO 0.58 -0.26 0.26 -0.69 0.41 0.00 0.00 173.24 173.54 1ud4 s VAL 457 N 1.52 5.22 -0.18 3.43 1.01 0.12 -4.90 120.40 126.62 1ud4 s VAL 457 Ca 0.02 -0.42 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 1ud4 s VAL 457 Cb -0.18 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1ud4 s VAL 457 CO 0.04 -0.13 0.45 -0.89 0.00 0.00 0.00 175.10 174.57 1ud4 s THR 458 N 1.70 5.17 0.03 3.92 2.01 -1.26 0.13 115.64 127.34 1ud4 s THR 458 Ca 0.05 0.84 -0.30 0.00 0.31 0.00 0.00 61.69 62.59 1ud4 s THR 458 Cb -0.18 -3.78 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 1ud4 s THR 458 CO 0.10 0.25 1.26 -0.63 -0.69 0.00 0.00 174.62 174.91 1ud4 s ILE 459 N 1.22 3.92 0.94 1.82 -1.09 0.77 -4.72 121.20 124.07 1ud4 s ILE 459 Ca 0.22 1.34 -0.16 0.00 -2.23 0.00 0.00 60.65 59.83 1ud4 s ILE 459 Cb -0.15 -3.86 0.22 0.00 -1.58 0.00 0.00 42.46 37.09 1ud4 s ILE 459 CO 0.09 0.06 1.11 -0.46 -1.23 0.00 0.00 174.94 174.51 1ud4 n ASN 460 N 4.46 -0.61 -0.14 3.58 0.23 0.13 -0.24 115.26 122.67 1ud4 n ASN 460 Ca 0.10 -1.31 0.08 0.00 -0.53 0.00 0.00 54.58 52.92 1ud4 n ASN 460 Cb 0.45 -0.90 0.40 0.00 -2.08 0.00 0.00 39.78 37.66 1ud4 n ASN 460 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1ud4 h GLY 461 N -1.86 0.82 -0.04 4.83 0.00 -1.96 -1.82 103.07 103.04 1ud4 h GLY 461 Ca -0.38 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1ud4 h GLY 461 CO 0.26 0.18 0.00 1.22 0.00 0.00 0.00 176.54 178.20 1ud4 n ASP 462 N -4.48 0.79 0.00 0.19 8.00 -1.26 -4.85 116.55 114.94 1ud4 n ASP 462 Ca 0.10 -1.51 0.00 0.00 0.71 0.00 0.00 54.79 54.09 1ud4 n ASP 462 Cb 0.26 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 1ud4 n ASP 462 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ud4 n GLY 463 N 0.97 0.62 3.77 0.44 0.00 -0.68 -4.24 105.19 106.07 1ud4 n GLY 463 Ca 0.16 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 1ud4 n GLY 463 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ud4 s TRP 464 N -2.00 3.17 -0.01 1.61 0.52 -1.26 -0.54 118.94 120.43 1ud4 s TRP 464 Ca 0.00 0.06 -0.08 0.00 0.02 0.00 0.00 56.10 56.10 1ud4 s TRP 464 Cb 0.00 -1.61 0.01 0.00 -1.15 0.00 0.00 33.47 30.72 1ud4 s TRP 464 CO 0.00 0.52 0.17 0.20 0.02 0.00 0.00 176.95 177.86 1ud4 s GLY 465 N -2.44 0.00 -0.38 0.98 0.00 -0.74 0.18 107.32 104.92 1ud4 s GLY 465 Ca 0.29 -0.02 -0.14 0.00 0.00 0.00 0.00 44.72 44.86 1ud4 s GLY 465 CO 0.22 -0.16 0.27 1.85 0.00 0.00 0.00 173.10 175.27 1ud4 s GLU 466 N -1.27 3.17 0.06 2.90 2.12 -1.26 -1.15 118.70 123.27 1ud4 s GLU 466 Ca -0.13 -0.87 -0.02 0.00 0.36 0.00 0.00 54.97 54.30 1ud4 s GLU 466 Cb -0.07 -3.88 -0.04 0.00 0.26 0.00 0.00 34.13 30.39 1ud4 s GLU 466 CO 0.02 -0.62 0.24 -0.06 -0.54 0.00 0.00 175.26 174.30 1ud4 s PHE 467 N 1.69 3.52 0.11 5.30 0.08 -0.47 -4.83 117.98 123.38 1ud4 s PHE 467 Ca 0.05 0.36 0.10 0.00 0.12 0.00 0.00 56.93 57.57 1ud4 s PHE 467 Cb -0.18 -1.84 -0.04 0.00 -0.57 0.00 0.00 43.02 40.39 1ud4 s PHE 467 CO 0.10 0.57 -0.26 -0.06 -0.10 0.00 0.00 175.22 175.47 1ud4 s PHE 468 N -1.48 2.27 -0.00 0.36 0.40 -1.26 -1.08 117.98 117.19 1ud4 s PHE 468 Ca 0.34 -0.39 -0.01 0.00 -0.60 0.00 0.00 56.93 56.27 1ud4 s PHE 468 Cb -0.13 -1.26 -0.00 0.00 0.51 0.00 0.00 43.02 42.14 1ud4 s PHE 468 CO 0.24 0.28 0.02 -0.08 0.70 0.00 0.00 175.22 176.38 1ud4 s THR 469 N -1.00 0.04 0.87 0.64 -1.32 -0.25 -4.83 115.64 109.78 1ud4 s THR 469 Ca 0.13 -0.31 -0.10 0.00 -1.21 0.00 0.00 61.69 60.20 1ud4 s THR 469 Cb -0.10 -0.13 0.17 0.00 -1.51 0.00 0.00 72.50 70.93 1ud4 s THR 469 CO 0.05 -0.17 1.20 0.20 -2.21 0.00 0.00 174.62 173.69 1ud4 s ASN 470 N -0.50 3.62 0.49 8.08 0.01 -1.26 -0.72 114.94 124.65 1ud4 s ASN 470 Ca -0.06 0.07 -0.21 0.00 -0.71 0.00 0.00 52.86 51.95 1ud4 s ASN 470 Cb -0.04 -0.25 -0.08 0.00 0.41 0.00 0.00 41.25 41.29 1ud4 s ASN 470 CO -0.00 -2.38 1.07 -0.83 -1.51 0.00 0.00 177.10 173.45 1ud4 s GLY 471 N -4.82 2.60 -1.51 0.66 0.00 -1.26 -3.63 107.32 99.36 1ud4 s GLY 471 Ca 0.71 0.71 -0.04 0.00 0.00 0.00 0.00 44.72 46.09 1ud4 s GLY 471 CO 0.50 1.06 0.42 0.61 0.00 0.00 0.00 173.10 175.68 1ud4 n GLY 472 N -0.00 -0.25 3.49 0.20 0.00 -0.51 -4.85 105.19 103.26 1ud4 n GLY 472 Ca 0.09 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 1ud4 n GLY 472 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ud4 s SER 473 N -4.13 -0.04 0.00 1.61 0.15 -0.79 -4.96 113.70 105.55 1ud4 s SER 473 Ca 0.17 -0.98 0.01 0.00 0.70 0.00 0.00 55.95 55.85 1ud4 s SER 473 Cb -0.10 0.53 -0.01 0.00 -1.71 0.00 0.00 66.02 64.74 1ud4 s SER 473 CO 0.92 -1.05 -0.03 0.54 1.20 0.00 0.00 173.24 174.82 1ud4 s VAL 474 N -4.03 0.18 0.05 4.45 0.11 -1.26 -1.69 120.40 118.21 1ud4 s VAL 474 Ca 0.24 -0.26 0.05 0.00 -2.93 0.00 0.00 61.98 59.08 1ud4 s VAL 474 Cb 0.01 -0.19 -0.02 0.00 -1.53 0.00 0.00 36.38 34.65 1ud4 s VAL 474 CO 0.08 -0.06 -0.15 -0.44 -3.33 0.00 0.00 175.10 171.20 1ud4 s SER 475 N -0.34 1.79 -0.28 3.54 0.01 0.39 -4.73 113.70 114.09 1ud4 s SER 475 Ca -0.02 -0.51 -0.00 0.00 1.31 0.00 0.00 55.95 56.72 1ud4 s SER 475 Cb -0.03 -0.10 0.08 0.00 0.21 0.00 0.00 66.02 66.18 1ud4 s SER 475 CO -0.00 0.02 0.05 -0.69 0.41 0.00 0.00 173.24 173.03 1ud4 s VAL 476 N -0.96 1.06 0.06 3.43 1.01 -1.26 -1.29 120.40 122.44 1ud4 s VAL 476 Ca 0.02 -1.29 -0.22 0.00 0.00 0.00 0.00 61.98 60.48 1ud4 s VAL 476 Cb -0.09 -1.66 -0.06 0.00 0.00 0.00 0.00 36.38 34.57 1ud4 s VAL 476 CO 0.02 -0.47 0.66 -0.31 0.00 0.00 0.00 175.10 175.00 1ud4 s TYR 477 N 1.56 3.77 0.21 5.22 1.51 0.11 -1.08 117.35 128.65 1ud4 s TYR 477 Ca 0.05 1.36 -0.06 0.00 -1.01 0.00 0.00 57.07 57.41 1ud4 s TYR 477 Cb -0.18 -2.66 -0.03 0.00 -0.11 0.00 0.00 41.96 38.99 1ud4 s TYR 477 CO -0.17 0.42 0.26 0.14 -1.11 0.00 0.00 175.55 175.09 1ud4 s VAL 478 N -0.54 0.01 -1.07 0.71 -7.23 -0.87 -0.64 120.40 110.76 1ud4 s VAL 478 Ca 0.33 -1.74 -0.17 0.00 -1.81 0.00 0.00 61.98 58.59 1ud4 s VAL 478 Cb -0.20 -2.32 0.13 0.00 0.56 0.00 0.00 36.38 34.55 1ud4 s VAL 478 CO 0.21 -0.05 1.32 0.21 -0.31 0.00 0.00 175.10 176.48 1ud4 s ASN 479 N -3.09 6.79 0.00 4.85 3.04 -1.26 -1.30 114.94 123.97 1ud4 s ASN 479 Ca 0.31 -2.36 0.02 0.00 0.04 0.00 0.00 52.86 50.87 1ud4 s ASN 479 Cb 0.04 -2.43 0.02 0.00 -1.54 0.00 0.00 41.25 37.34 1ud4 s ASN 479 CO 0.09 -1.00 0.58 0.00 -3.04 0.00 0.00 177.10 173.73