#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ux4 h LEU 12 N 0.00 0.68 -0.49 -2.67 5.85 -2.05 -1.76 115.31 114.86 2ux4 h LEU 12 Ca 0.00 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.56 2ux4 h LEU 12 Cb 0.00 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2ux4 h LEU 12 CO 0.00 0.48 -0.41 0.00 -0.34 0.00 0.00 178.44 178.17 2ux4 h ALA 13 N 1.62 0.67 -0.17 1.25 0.00 -2.05 -0.71 119.26 119.87 2ux4 h ALA 13 Ca 0.25 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 2ux4 h ALA 13 Cb 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2ux4 h ALA 13 CO -0.06 0.67 -0.48 0.66 0.00 0.00 0.00 179.25 180.04 2ux4 h SER 14 N 0.64 0.46 -0.50 0.00 4.64 -1.89 -0.99 113.55 115.91 2ux4 h SER 14 Ca 0.05 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2ux4 h SER 14 Cb 0.97 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.91 2ux4 h SER 14 CO 0.09 0.87 0.32 0.25 -0.87 0.00 0.00 176.83 177.49 2ux4 h LEU 15 N 0.34 0.59 -0.70 5.97 5.85 -1.24 -1.56 115.31 124.55 2ux4 h LEU 15 Ca 0.02 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 2ux4 h LEU 15 Cb 0.97 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 2ux4 h LEU 15 CO 0.08 0.45 0.07 0.00 -0.34 0.00 0.00 178.44 178.70 2ux4 h ALA 16 N 1.17 0.92 -0.14 1.25 0.00 -0.76 -1.19 119.26 120.49 2ux4 h ALA 16 Ca 0.18 -0.28 -0.22 0.00 0.00 0.00 0.00 54.91 54.59 2ux4 h ALA 16 Cb -0.05 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.51 2ux4 h ALA 16 CO -0.04 0.66 -0.75 0.97 0.00 0.00 0.00 179.25 180.09 2ux4 h ILE 17 N 0.99 1.29 -0.28 0.00 6.09 -1.10 -1.47 117.51 123.02 2ux4 h ILE 17 Ca 0.19 -1.96 0.00 0.00 -1.37 0.00 0.00 64.86 61.72 2ux4 h ILE 17 Cb 0.47 2.02 -0.01 0.00 0.47 0.00 0.00 36.82 39.77 2ux4 h ILE 17 CO 0.02 0.62 0.18 0.22 -3.07 0.00 0.00 178.15 176.12 2ux4 h TYR 18 N 0.48 0.36 -0.93 2.19 3.20 -1.22 -2.08 116.97 118.97 2ux4 h TYR 18 Ca -0.05 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.86 2ux4 h TYR 18 Cb 1.38 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 39.48 2ux4 h TYR 18 CO 0.09 0.24 0.61 0.77 -1.64 0.00 0.00 178.16 178.23 2ux4 h SER 19 N 0.38 1.01 -0.76 -2.11 0.02 -1.18 -2.62 113.55 108.28 2ux4 h SER 19 Ca 0.10 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 2ux4 h SER 19 Cb -0.03 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 2ux4 h SER 19 CO -0.02 0.69 0.30 0.15 -1.14 0.00 0.00 176.83 176.81 2ux4 h PHE 20 N 1.18 1.18 -0.34 3.45 3.57 -0.86 0.56 116.94 125.67 2ux4 h PHE 20 Ca 0.37 -0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.71 2ux4 h PHE 20 Cb 0.00 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.37 2ux4 h PHE 20 CO -0.01 0.90 -0.08 -1.49 -2.23 0.00 0.00 178.31 175.40 2ux4 h TRP 21 N 1.12 0.60 -0.08 0.41 4.06 -1.08 0.95 115.95 121.93 2ux4 h TRP 21 Ca 0.26 -0.08 -0.03 0.00 2.06 0.00 0.00 58.89 61.09 2ux4 h TRP 21 Cb 0.23 -0.17 -0.00 0.00 -1.00 0.00 0.00 29.16 28.22 2ux4 h TRP 21 CO 0.02 0.63 -0.06 0.82 -3.56 0.00 0.00 178.44 176.30 2ux4 h ILE 22 N 0.53 1.34 -0.86 1.49 2.04 -1.09 -2.20 117.51 118.76 2ux4 h ILE 22 Ca 0.10 -1.14 0.10 0.00 1.00 0.00 0.00 64.86 64.92 2ux4 h ILE 22 Cb 0.46 1.93 -0.07 0.00 -0.74 0.00 0.00 36.82 38.39 2ux4 h ILE 22 CO 0.02 0.32 0.51 0.15 0.00 0.00 0.00 178.15 179.15 2ux4 h PHE 23 N -0.21 0.92 -0.28 1.37 3.57 -0.60 -2.48 116.94 119.23 2ux4 h PHE 23 Ca 0.02 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.43 2ux4 h PHE 23 Cb 0.54 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2ux4 h PHE 23 CO 0.08 0.38 -0.30 1.25 -2.23 0.00 0.00 178.31 177.49 2ux4 h LEU 24 N 0.85 0.59 -0.27 0.59 5.85 -0.67 0.58 115.31 122.82 2ux4 h LEU 24 Ca 0.41 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2ux4 h LEU 24 Cb 0.37 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2ux4 h LEU 24 CO -0.24 0.86 0.14 0.00 -0.34 0.00 0.00 178.44 178.86 2ux4 h ALA 25 N 1.18 0.35 -0.87 1.25 0.00 -1.00 -0.24 119.26 119.93 2ux4 h ALA 25 Ca 0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2ux4 h ALA 25 Cb 0.77 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2ux4 h ALA 25 CO 0.06 -0.11 0.47 0.78 0.00 0.00 0.00 179.25 180.46 2ux4 h GLY 26 N 0.32 1.30 0.96 0.00 0.00 -1.21 -1.38 103.07 103.06 2ux4 h GLY 26 Ca 0.10 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 2ux4 h GLY 26 CO -0.01 0.57 0.16 -2.00 0.00 0.00 0.00 176.54 175.25 2ux4 h LEU 27 N 1.22 0.69 -0.86 3.11 5.85 -0.63 0.56 115.31 125.24 2ux4 h LEU 27 Ca 0.31 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 2ux4 h LEU 27 Cb 0.03 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 2ux4 h LEU 27 CO -0.05 0.70 0.14 0.40 -0.34 0.00 0.00 178.44 179.29 2ux4 h ILE 28 N 0.64 1.25 0.19 4.05 2.04 -0.85 0.54 117.51 125.37 2ux4 h ILE 28 Ca 0.16 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 2ux4 h ILE 28 Cb 0.25 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 2ux4 h ILE 28 CO -0.01 0.35 -0.09 0.22 0.00 0.00 0.00 178.15 178.62 2ux4 h TYR 29 N 0.93 -0.24 -0.63 1.37 3.20 -1.04 0.11 116.97 120.67 2ux4 h TYR 29 Ca 0.20 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.15 2ux4 h TYR 29 Cb 0.36 0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.64 2ux4 h TYR 29 CO 0.02 -0.08 0.27 -0.92 -1.64 0.00 0.00 178.16 175.81 2ux4 h TYR 30 N -0.34 0.49 -0.25 -3.82 3.20 -0.64 -1.51 116.97 114.09 2ux4 h TYR 30 Ca -0.03 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.75 2ux4 h TYR 30 Cb 0.27 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 2ux4 h TYR 30 CO -0.04 0.16 -0.34 -0.07 -1.64 0.00 0.00 178.16 176.23 2ux4 h LEU 31 N 0.49 0.73 -0.47 2.82 3.38 -0.67 -0.83 115.31 120.75 2ux4 h LEU 31 Ca 0.31 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2ux4 h LEU 31 Cb 0.34 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2ux4 h LEU 31 CO -0.27 1.09 0.24 -0.61 0.09 0.00 0.00 178.44 178.98 2ux4 h GLN 32 N 0.38 0.67 -0.50 1.13 5.75 -0.68 -2.40 115.11 119.46 2ux4 h GLN 32 Ca 0.03 -0.09 -0.08 0.00 -0.15 0.00 0.00 58.65 58.36 2ux4 h GLN 32 Cb 0.92 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.32 2ux4 h GLN 32 CO 0.08 0.54 -0.02 1.79 -2.65 0.00 0.00 178.83 178.57 2ux4 h THR 33 N 0.62 1.25 -0.24 2.39 1.35 -1.21 -2.10 112.91 114.97 2ux4 h THR 33 Ca 0.16 -1.07 0.05 0.00 -0.55 0.00 0.00 66.41 65.00 2ux4 h THR 33 Cb 0.08 0.89 -0.01 0.00 -1.73 0.00 0.00 68.15 67.38 2ux4 h THR 33 CO -0.02 0.38 0.17 -0.33 -0.25 0.00 0.00 175.52 175.46 2ux4 h GLU 34 N 0.78 0.13 -0.25 4.72 4.39 -0.98 -1.27 114.58 122.10 2ux4 h GLU 34 Ca 0.15 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.84 2ux4 h GLU 34 Cb 0.50 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2ux4 h GLU 34 CO 0.03 0.08 0.00 0.09 -1.16 0.00 0.00 179.01 178.05 2ux4 n ASN 35 N -4.49 1.59 -1.19 1.42 3.02 -0.80 -3.40 115.26 111.41 2ux4 n ASN 35 Ca 0.02 -1.87 0.08 0.00 -0.03 0.00 0.00 54.58 52.78 2ux4 n ASN 35 Cb 0.23 -0.16 0.29 0.00 -0.61 0.00 0.00 39.78 39.52 2ux4 n ASN 35 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2ux4 n MET 36 N 0.33 3.42 0.00 3.52 2.81 -0.48 -4.50 117.12 122.22 2ux4 n MET 36 Ca 0.13 -2.73 0.14 0.00 -1.81 0.00 0.00 57.70 53.42 2ux4 n MET 36 Cb 0.28 -1.79 0.83 0.00 -0.71 0.00 0.00 33.22 31.83 2ux4 n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2ux4 n ARG 37 N 0.39 0.87 -3.88 0.03 1.74 -1.22 -4.45 116.66 110.15 2ux4 n ARG 37 Ca 0.22 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.18 2ux4 n ARG 37 Cb 0.83 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.65 2ux4 n ARG 37 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2ux4 s GLU 38 N -2.01 0.26 0.00 5.56 0.41 -1.26 -4.21 118.70 117.45 2ux4 s GLU 38 Ca 0.42 -0.16 0.00 0.00 -0.41 0.00 0.00 54.97 54.82 2ux4 s GLU 38 Cb 0.19 0.11 0.00 0.00 -1.78 0.00 0.00 34.13 32.65 2ux4 s GLU 38 CO 0.32 -0.05 0.00 0.41 -0.49 0.00 0.00 175.26 175.46 2ux4 n GLY 39 N 2.31 1.73 3.58 -1.39 0.00 -1.26 -5.02 105.19 105.14 2ux4 n GLY 39 Ca -0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 2ux4 n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ux4 s TYR 40 N -3.25 2.70 0.69 1.61 1.51 -1.26 -4.34 117.35 115.01 2ux4 s TYR 40 Ca 0.00 -0.18 -0.14 0.00 -1.01 0.00 0.00 57.07 55.74 2ux4 s TYR 40 Cb 0.00 -1.36 0.01 0.00 -0.11 0.00 0.00 41.96 40.50 2ux4 s TYR 40 CO 0.00 0.47 1.10 -2.14 -1.11 0.00 0.00 175.55 173.87 2ux4 s PRO 41 N -2.56 2.70 0.83 -1.71 0.02 -1.26 -4.82 135.00 128.20 2ux4 s PRO 41 Ca 0.23 1.29 -0.12 0.00 0.02 0.00 0.00 61.00 62.42 2ux4 s PRO 41 Cb -0.10 -1.94 0.10 0.00 0.02 0.00 0.00 34.50 32.57 2ux4 s PRO 41 CO 0.15 -1.31 1.17 -0.51 -0.33 0.00 0.00 177.00 176.16 2ux4 s LEU 42 N -5.16 3.05 0.12 -5.54 1.43 -1.26 -4.94 118.68 106.38 2ux4 s LEU 42 Ca 0.65 2.22 0.03 0.00 -1.03 0.00 0.00 54.13 56.00 2ux4 s LEU 42 Cb -0.19 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.42 2ux4 s LEU 42 CO 0.46 -2.68 -0.09 -1.61 0.23 0.00 0.00 176.35 172.66 2ux4 s GLU 43 N -4.39 0.92 0.60 1.70 2.02 -1.26 -1.76 118.70 116.54 2ux4 s GLU 43 Ca 0.69 -1.31 -0.06 0.00 0.02 0.00 0.00 54.97 54.31 2ux4 s GLU 43 Cb -0.25 -0.48 0.01 0.00 0.10 0.00 0.00 34.13 33.52 2ux4 s GLU 43 CO 0.53 0.05 0.92 -0.80 0.02 0.00 0.00 175.26 175.98 2ux4 s ASN 44 N -2.87 5.52 0.00 -0.19 0.01 0.37 -4.60 114.94 113.18 2ux4 s ASN 44 Ca 0.11 0.71 0.00 0.00 -0.71 0.00 0.00 52.86 52.97 2ux4 s ASN 44 Cb 0.01 -1.66 0.00 0.00 0.41 0.00 0.00 41.25 40.01 2ux4 s ASN 44 CO -0.01 -1.12 0.83 -0.62 -1.51 0.00 0.00 177.10 174.67 2ux4 n GLU 45 N -2.63 0.00 0.00 -0.60 1.02 -1.26 -1.14 120.64 116.04 2ux4 n GLU 45 Ca 0.05 0.34 0.08 0.00 -0.02 0.00 0.00 57.16 57.61 2ux4 n GLU 45 Cb 0.58 -1.55 0.03 0.00 -0.02 0.00 0.00 31.44 30.48 2ux4 n GLU 45 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2ux4 n ASP 46 N -1.33 2.00 0.00 1.62 5.68 -1.26 -4.99 116.55 118.27 2ux4 n ASP 46 Ca 0.00 -1.50 0.00 0.00 -0.50 0.00 0.00 54.79 52.79 2ux4 n ASP 46 Cb 0.05 0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 2ux4 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ux4 n GLY 47 N 1.06 0.55 3.89 6.12 0.00 -0.29 -5.09 105.19 111.43 2ux4 n GLY 47 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 2ux4 n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ux4 s THR 48 N -2.00 4.90 0.13 2.61 -4.23 -1.26 -4.78 115.64 111.01 2ux4 s THR 48 Ca 0.00 0.32 -0.32 0.00 -1.18 0.00 0.00 61.69 60.50 2ux4 s THR 48 Cb 0.00 -3.75 -0.12 0.00 1.34 0.00 0.00 72.50 69.97 2ux4 s THR 48 CO 0.00 -0.49 1.75 -2.65 -0.54 0.00 0.00 174.62 172.69 2ux4 n PRO 49 N -1.31 2.56 -2.20 3.99 -0.02 -1.26 -0.48 135.00 136.28 2ux4 n PRO 49 Ca 0.00 0.93 -0.35 0.00 -2.02 0.00 0.00 63.50 62.06 2ux4 n PRO 49 Cb 0.54 -2.77 0.01 0.00 -0.02 0.00 0.00 33.50 31.25 2ux4 n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ux4 s ALA 50 N 2.09 2.68 0.06 3.55 0.00 -0.72 -4.70 121.76 124.71 2ux4 s ALA 50 Ca 0.81 0.75 -0.27 0.00 0.00 0.00 0.00 51.96 53.26 2ux4 s ALA 50 Cb -0.56 -3.34 -0.17 0.00 0.00 0.00 0.00 23.12 19.05 2ux4 s ALA 50 CO 0.38 -0.81 1.56 0.00 0.00 0.00 0.00 175.76 176.89 2ux4 h ALA 51 N 1.03 -0.35 -2.08 0.00 0.00 -1.92 -3.41 119.26 112.53 2ux4 h ALA 51 Ca -0.49 -0.12 -0.62 0.00 0.00 0.00 0.00 54.91 53.68 2ux4 h ALA 51 Cb 1.26 0.13 -0.12 0.00 0.00 0.00 0.00 17.79 19.06 2ux4 h ALA 51 CO 0.57 -0.64 0.39 1.21 0.00 0.00 0.00 179.25 180.78 2ux4 s ASN 52 N -4.98 6.47 0.00 0.00 3.84 -1.26 -4.91 114.94 114.09 2ux4 s ASN 52 Ca -0.15 0.08 0.24 0.00 0.21 0.00 0.00 52.86 53.24 2ux4 s ASN 52 Cb 0.04 -2.40 0.20 0.00 -0.55 0.00 0.00 41.25 38.54 2ux4 s ASN 52 CO 0.63 -0.87 1.23 0.00 -2.79 0.00 0.00 177.10 175.30 2ux4 n GLN 53 N 6.67 1.43 0.00 0.43 1.13 -1.26 -4.93 117.38 120.84 2ux4 n GLN 53 Ca 0.03 -1.13 0.00 0.00 -1.94 0.00 0.00 57.00 53.96 2ux4 n GLN 53 Cb 0.48 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.36 2ux4 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2ux4 n GLY 54 N 1.38 -1.45 0.01 1.08 0.00 -1.26 -4.63 105.19 100.33 2ux4 n GLY 54 Ca 0.11 -1.56 0.14 0.00 0.00 0.00 0.00 46.02 44.71 2ux4 n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ux4 n PRO 55 N -1.61 0.03 -3.47 1.61 -0.04 -1.26 -4.77 135.00 125.49 2ux4 n PRO 55 Ca 0.00 0.04 -0.37 0.00 -0.04 0.00 0.00 63.50 63.13 2ux4 n PRO 55 Cb 0.00 -1.54 -0.08 0.00 -0.04 0.00 0.00 33.50 31.85 2ux4 n PRO 55 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2ux4 s PHE 56 N -3.01 3.39 0.55 0.54 0.08 -1.26 -5.08 117.98 113.18 2ux4 s PHE 56 Ca 0.13 0.55 -0.09 0.00 0.12 0.00 0.00 56.93 57.64 2ux4 s PHE 56 Cb 0.18 -2.43 -0.04 0.00 -0.57 0.00 0.00 43.02 40.15 2ux4 s PHE 56 CO 0.52 0.07 0.92 -1.25 -0.10 0.00 0.00 175.22 175.38 2ux4 s PRO 57 N 1.04 3.60 0.50 0.24 0.04 -1.26 -5.04 135.00 134.12 2ux4 s PRO 57 Ca 0.16 0.53 -0.22 0.00 0.04 0.00 0.00 61.00 61.51 2ux4 s PRO 57 Cb -0.14 -2.21 -0.06 0.00 0.04 0.00 0.00 34.50 32.12 2ux4 s PRO 57 CO 0.06 -0.38 1.25 -0.51 0.04 0.00 0.00 177.00 177.46 2ux4 s LEU 58 N -4.89 3.92 0.71 -3.56 1.43 -1.26 -4.84 118.68 110.19 2ux4 s LEU 58 Ca 0.52 2.50 -0.11 0.00 -1.03 0.00 0.00 54.13 56.01 2ux4 s LEU 58 Cb -0.11 -4.28 0.01 0.00 0.03 0.00 0.00 46.19 41.85 2ux4 s LEU 58 CO 0.48 -1.23 1.07 -2.16 0.23 0.00 0.00 176.35 174.74 2ux4 s PRO 59 N -2.83 2.85 0.33 1.29 0.04 -1.26 -5.01 135.00 130.41 2ux4 s PRO 59 Ca 0.68 0.75 -0.28 0.00 0.04 0.00 0.00 61.00 62.18 2ux4 s PRO 59 Cb -0.34 -2.00 -0.12 0.00 0.04 0.00 0.00 34.50 32.09 2ux4 s PRO 59 CO 0.40 -1.11 1.33 1.63 0.04 0.00 0.00 177.00 179.30 2ux4 n LYS 60 N -3.10 2.20 -1.77 4.56 5.02 -1.26 -4.62 118.16 119.18 2ux4 n LYS 60 Ca 0.07 0.77 -0.38 0.00 -2.02 0.00 0.00 58.31 56.76 2ux4 n LYS 60 Cb 0.55 -2.39 0.05 0.00 -0.02 0.00 0.00 35.03 33.23 2ux4 n LYS 60 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2ux4 s PRO 61 N -1.70 2.86 0.19 1.97 0.02 -1.26 -4.72 135.00 132.36 2ux4 s PRO 61 Ca 0.57 2.14 0.10 0.00 0.02 0.00 0.00 61.00 63.83 2ux4 s PRO 61 Cb -0.56 -2.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.86 2ux4 s PRO 61 CO 0.61 -1.38 -0.21 -1.59 -0.33 0.00 0.00 177.00 174.10 2ux4 s LYS 62 N -3.14 1.44 -0.11 5.54 -2.85 0.27 -4.93 119.74 115.97 2ux4 s LYS 62 Ca 0.77 -1.52 0.02 0.00 -1.00 0.00 0.00 55.97 54.25 2ux4 s LYS 62 Cb -0.39 -1.62 0.01 0.00 -2.06 0.00 0.00 37.83 33.77 2ux4 s LYS 62 CO 0.43 0.34 -0.18 0.99 0.10 0.00 0.00 175.35 177.03 2ux4 s THR 63 N -1.95 1.67 -0.19 3.79 2.01 -1.26 -1.59 115.64 118.12 2ux4 s THR 63 Ca 0.20 -0.76 -0.12 0.00 0.31 0.00 0.00 61.69 61.32 2ux4 s THR 63 Cb -0.07 -1.50 -0.05 0.00 0.01 0.00 0.00 72.50 70.90 2ux4 s THR 63 CO 0.09 0.47 0.22 -0.36 -0.69 0.00 0.00 174.62 174.36 2ux4 s PHE 64 N 0.78 3.41 -0.34 4.92 0.08 -0.17 -4.94 117.98 121.71 2ux4 s PHE 64 Ca -0.10 0.44 -0.25 0.00 0.12 0.00 0.00 56.93 57.14 2ux4 s PHE 64 Cb -0.16 -2.28 0.01 0.00 -0.57 0.00 0.00 43.02 40.02 2ux4 s PHE 64 CO 0.01 0.20 0.86 0.42 -0.10 0.00 0.00 175.22 176.62 2ux4 s ILE 65 N 0.61 4.68 0.22 0.64 1.01 -1.26 -1.30 121.20 125.80 2ux4 s ILE 65 Ca 0.12 1.16 -0.29 0.00 0.00 0.00 0.00 60.65 61.64 2ux4 s ILE 65 Cb -0.12 -4.25 -0.09 0.00 0.01 0.00 0.00 42.46 38.01 2ux4 s ILE 65 CO 0.02 -0.42 0.92 -0.76 0.00 0.00 0.00 174.94 174.71 2ux4 s LEU 66 N 3.24 4.63 0.90 2.97 1.43 -0.39 -5.00 118.68 126.47 2ux4 s LEU 66 Ca 0.35 1.90 -0.12 0.00 -1.03 0.00 0.00 54.13 55.23 2ux4 s LEU 66 Cb -0.13 -3.57 0.13 0.00 0.03 0.00 0.00 46.19 42.65 2ux4 s LEU 66 CO 0.16 0.15 1.11 -2.16 0.23 0.00 0.00 176.35 175.83 2ux4 s PRO 67 N -1.07 1.20 -1.52 1.29 0.04 -1.26 -4.03 135.00 129.64 2ux4 s PRO 67 Ca 0.41 0.52 -0.05 0.00 0.04 0.00 0.00 61.00 61.92 2ux4 s PRO 67 Cb -0.25 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.46 2ux4 s PRO 67 CO 0.31 -2.21 0.63 0.72 0.04 0.00 0.00 177.00 176.49 2ux4 n HIS 68 N -3.81 -1.98 -2.17 0.56 8.25 -1.26 -2.80 115.22 112.00 2ux4 n HIS 68 Ca 0.06 0.54 -0.19 0.00 -0.26 0.00 0.00 57.72 57.87 2ux4 n HIS 68 Cb 0.57 -4.48 -0.03 0.00 1.12 0.00 0.00 29.99 27.17 2ux4 n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ux4 n GLY 69 N -1.54 0.14 0.43 -1.41 0.00 -1.26 -4.89 105.19 96.67 2ux4 n GLY 69 Ca -0.11 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 45.98 2ux4 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ux4 n ARG 70 N -2.76 1.52 0.00 1.61 1.74 -1.12 -5.04 116.66 112.61 2ux4 n ARG 70 Ca -0.22 -0.87 0.00 0.00 -0.77 0.00 0.00 57.85 55.99 2ux4 n ARG 70 Cb 0.67 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 2ux4 n ARG 70 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ux4 n GLY 71 N 1.20 0.26 3.25 -0.13 0.00 -1.26 -4.92 105.19 103.58 2ux4 n GLY 71 Ca 0.18 -1.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.18 2ux4 n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ux4 s THR 72 N 0.00 0.00 -0.04 2.61 -4.23 -1.26 -1.26 115.64 111.47 2ux4 s THR 72 Ca 0.00 -1.95 0.01 0.00 -1.18 0.00 0.00 61.69 58.57 2ux4 s THR 72 Cb 0.00 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 71.37 2ux4 s THR 72 CO 0.00 0.00 -0.04 -0.22 -0.54 0.00 0.00 174.62 173.82 2ux4 s LEU 73 N -3.19 1.39 -0.13 4.79 2.96 -0.42 -4.90 118.68 119.18 2ux4 s LEU 73 Ca 0.38 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 54.20 2ux4 s LEU 73 Cb 0.05 -0.42 0.00 0.00 0.50 0.00 0.00 46.19 46.33 2ux4 s LEU 73 CO 0.15 -0.04 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.04 2ux4 s THR 74 N 0.80 2.28 -0.05 3.68 2.01 -1.26 -1.00 115.64 122.10 2ux4 s THR 74 Ca -0.10 -0.92 -0.04 0.00 0.31 0.00 0.00 61.69 60.94 2ux4 s THR 74 Cb -0.13 -1.91 0.02 0.00 0.01 0.00 0.00 72.50 70.48 2ux4 s THR 74 CO 0.00 0.54 0.12 0.68 -0.69 0.00 0.00 174.62 175.27 2ux4 s VAL 75 N 0.64 -0.01 0.78 3.82 -7.23 -0.62 -3.74 120.40 114.04 2ux4 s VAL 75 Ca -0.10 0.04 -0.12 0.00 -1.81 0.00 0.00 61.98 59.98 2ux4 s VAL 75 Cb -0.16 -0.18 0.07 0.00 0.56 0.00 0.00 36.38 36.66 2ux4 s VAL 75 CO 0.02 0.02 1.14 -2.16 -0.31 0.00 0.00 175.10 173.81 2ux4 s PRO 76 N 0.30 1.97 0.33 4.82 0.05 -1.26 -0.56 135.00 140.65 2ux4 s PRO 76 Ca -0.02 1.48 -0.08 0.00 0.05 0.00 0.00 61.00 62.43 2ux4 s PRO 76 Cb -0.03 -1.84 0.01 0.00 0.05 0.00 0.00 34.50 32.69 2ux4 s PRO 76 CO -0.01 -1.91 0.55 0.20 0.05 0.00 0.00 177.00 175.88 2ux4 s GLY 77 N -2.67 1.02 0.11 0.56 0.00 -1.25 -4.79 107.32 100.31 2ux4 s GLY 77 Ca 0.67 -1.20 -0.33 0.00 0.00 0.00 0.00 44.72 43.87 2ux4 s GLY 77 CO 0.51 -0.75 1.75 -1.05 0.00 0.00 0.00 173.10 173.56 2ux4 n PRO 78 N -0.52 2.50 -3.61 2.90 -0.02 -1.26 -4.92 135.00 130.06 2ux4 n PRO 78 Ca -0.02 0.91 -0.37 0.00 -2.02 0.00 0.00 63.50 62.00 2ux4 n PRO 78 Cb 0.61 -2.75 -0.07 0.00 -0.02 0.00 0.00 33.50 31.27 2ux4 n PRO 78 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2ux4 s GLU 79 N 2.20 4.06 -0.11 -0.52 0.41 -1.26 -5.09 118.70 118.39 2ux4 s GLU 79 Ca 0.82 0.07 -0.21 0.00 -0.41 0.00 0.00 54.97 55.24 2ux4 s GLU 79 Cb -0.58 -3.35 0.05 0.00 -1.78 0.00 0.00 34.13 28.47 2ux4 s GLU 79 CO 0.39 0.41 0.51 -1.54 -0.49 0.00 0.00 175.26 174.54 2ux4 s SER 80 N -0.04 -0.48 0.45 -0.19 1.04 -1.26 -5.04 113.70 108.19 2ux4 s SER 80 Ca 0.16 0.70 0.12 0.00 0.48 0.00 0.00 55.95 57.41 2ux4 s SER 80 Cb -0.13 0.72 1.01 0.00 0.10 0.00 0.00 66.02 67.72 2ux4 s SER 80 CO 0.05 -0.38 2.06 -0.33 0.98 0.00 0.00 173.24 175.62 2ux4 h GLU 81 N 4.26 0.22 -5.24 4.02 4.39 -2.01 -3.47 114.58 116.76 2ux4 h GLU 81 Ca -0.28 -0.02 -0.40 0.00 0.34 0.00 0.00 59.36 58.99 2ux4 h GLU 81 Cb 1.16 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 2ux4 h GLU 81 CO 0.30 0.21 -0.61 -0.25 -1.16 0.00 0.00 179.01 177.49 2ux4 n ASP 82 N -4.45 -4.91 -3.58 1.42 8.00 -1.26 -4.46 116.55 107.31 2ux4 n ASP 82 Ca -0.01 -0.42 -0.11 0.00 0.71 0.00 0.00 54.79 54.97 2ux4 n ASP 82 Cb 0.13 -3.99 -0.05 0.00 -0.02 0.00 0.00 41.12 37.19 2ux4 n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ux4 s ARG 83 N -6.00 0.61 0.39 -1.24 1.70 -1.26 -4.92 118.95 108.23 2ux4 s ARG 83 Ca 0.41 0.17 -0.26 0.00 -0.47 0.00 0.00 55.73 55.59 2ux4 s ARG 83 Cb -0.20 0.29 -0.09 0.00 -0.57 0.00 0.00 34.95 34.38 2ux4 s ARG 83 CO 0.51 -0.19 1.21 -1.25 -1.08 0.00 0.00 175.30 174.50 2ux4 s PRO 84 N -1.05 4.06 -0.43 3.89 0.04 -1.26 -5.02 135.00 135.22 2ux4 s PRO 84 Ca -0.02 1.94 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2ux4 s PRO 84 Cb -0.01 -2.73 0.12 0.00 0.04 0.00 0.00 34.50 31.92 2ux4 s PRO 84 CO 0.02 -0.35 0.20 0.42 0.04 0.00 0.00 177.00 177.33 2ux4 s ILE 85 N -1.35 2.96 -0.82 0.56 1.01 -1.26 -5.01 121.20 117.29 2ux4 s ILE 85 Ca 0.56 -2.42 -0.11 0.00 0.00 0.00 0.00 60.65 58.68 2ux4 s ILE 85 Cb -0.33 -3.05 -0.09 0.00 0.01 0.00 0.00 42.46 39.00 2ux4 s ILE 85 CO 0.42 -0.70 1.99 0.00 0.00 0.00 0.00 174.94 176.65 2ux4 n ALA 86 N 4.16 4.02 -2.39 9.38 0.00 -1.26 -4.82 120.51 129.60 2ux4 n ALA 86 Ca 0.02 -2.36 -0.18 0.00 0.00 0.00 0.00 53.44 50.92 2ux4 n ALA 86 Cb 0.40 -3.20 -0.11 0.00 0.00 0.00 0.00 19.45 16.54 2ux4 n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ux4 s LEU 87 N 0.47 2.49 -0.04 0.00 1.43 -1.26 -1.12 118.68 120.64 2ux4 s LEU 87 Ca 0.44 -0.93 -0.08 0.00 -1.03 0.00 0.00 54.13 52.53 2ux4 s LEU 87 Cb 0.11 -0.60 0.01 0.00 0.03 0.00 0.00 46.19 45.75 2ux4 s LEU 87 CO 0.02 -0.17 0.18 0.00 0.23 0.00 0.00 176.35 176.61 2ux4 s ALA 88 N -2.64 -0.45 0.51 4.21 0.00 -0.21 -4.86 121.76 118.32 2ux4 s ALA 88 Ca 0.16 0.27 -0.20 0.00 0.00 0.00 0.00 51.96 52.19 2ux4 s ALA 88 Cb -0.02 -0.12 -0.11 0.00 0.00 0.00 0.00 23.12 22.87 2ux4 s ALA 88 CO 0.04 -0.15 0.50 0.54 0.00 0.00 0.00 175.76 176.69 2ux4 n ARG 89 N 2.25 0.52 -0.00 0.00 1.74 -1.26 -0.66 116.66 119.25 2ux4 n ARG 89 Ca -0.17 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2ux4 n ARG 89 Cb 0.57 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 2ux4 n ARG 89 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2ux4 n THR 90 N -1.34 0.03 -4.03 0.55 -2.24 -1.22 -4.72 114.28 101.32 2ux4 n THR 90 Ca 0.11 -0.52 -0.09 0.00 -2.27 0.00 0.00 64.05 61.28 2ux4 n THR 90 Cb 0.44 0.99 -0.08 0.00 -2.10 0.00 0.00 70.33 69.59 2ux4 n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ux4 s ALA 91 N -0.08 0.32 -1.53 6.98 0.00 -1.26 -5.06 121.76 121.13 2ux4 s ALA 91 Ca 0.01 -1.09 0.28 0.00 0.00 0.00 0.00 51.96 51.15 2ux4 s ALA 91 Cb 0.00 0.79 1.00 0.00 0.00 0.00 0.00 23.12 24.91 2ux4 s ALA 91 CO 0.01 -0.56 1.72 1.33 0.00 0.00 0.00 175.76 178.26 2ux4 n VAL 92 N -0.13 0.00 -4.44 0.00 0.24 -1.26 -4.92 118.33 107.82 2ux4 n VAL 92 Ca -0.08 -0.06 -0.21 0.00 -2.04 0.00 0.00 64.34 61.94 2ux4 n VAL 92 Cb 0.63 0.05 -0.10 0.00 -1.47 0.00 0.00 33.84 32.95 2ux4 n VAL 92 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2ux4 s SER 93 N -2.60 2.73 0.60 -1.34 1.04 -1.26 -5.13 113.70 107.73 2ux4 s SER 93 Ca 0.24 -1.23 -0.20 0.00 0.48 0.00 0.00 55.95 55.24 2ux4 s SER 93 Cb 0.19 -0.16 -0.03 0.00 0.10 0.00 0.00 66.02 66.12 2ux4 s SER 93 CO 0.52 -0.40 1.31 -1.61 0.98 0.00 0.00 173.24 174.05 2ux4 s GLU 94 N -3.76 2.86 0.00 4.02 0.41 -1.26 -4.20 118.70 116.77 2ux4 s GLU 94 Ca 0.31 2.10 0.00 0.00 -0.41 0.00 0.00 54.97 56.97 2ux4 s GLU 94 Cb 0.05 -2.03 0.00 0.00 -1.78 0.00 0.00 34.13 30.37 2ux4 s GLU 94 CO 0.13 -1.37 0.00 0.41 -0.49 0.00 0.00 175.26 173.94 2ux4 n GLY 95 N 0.78 0.85 3.97 -1.39 0.00 -1.26 -5.08 105.19 103.05 2ux4 n GLY 95 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 2ux4 n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ux4 s PHE 96 N -2.00 2.88 0.73 1.61 0.40 -1.26 -5.10 117.98 115.23 2ux4 s PHE 96 Ca 0.00 -0.36 -0.12 0.00 -0.60 0.00 0.00 56.93 55.85 2ux4 s PHE 96 Cb 0.00 -2.19 0.03 0.00 0.51 0.00 0.00 43.02 41.37 2ux4 s PHE 96 CO 0.00 -0.21 1.09 -2.14 0.70 0.00 0.00 175.22 174.65 2ux4 s PRO 97 N -4.24 2.56 -0.22 0.24 0.02 -1.26 -4.93 135.00 127.18 2ux4 s PRO 97 Ca 0.50 1.16 -0.02 0.00 0.02 0.00 0.00 61.00 62.66 2ux4 s PRO 97 Cb -0.08 -1.93 0.01 0.00 0.02 0.00 0.00 34.50 32.51 2ux4 s PRO 97 CO 0.31 -1.41 -0.08 -1.01 -0.33 0.00 0.00 177.00 174.48 2ux4 s HIS 98 N -2.81 2.94 0.25 6.54 3.76 -1.26 -3.38 115.29 121.32 2ux4 s HIS 98 Ca 0.62 -1.26 -0.30 0.00 -0.15 0.00 0.00 55.06 53.97 2ux4 s HIS 98 Cb -0.17 -2.05 -0.09 0.00 1.11 0.00 0.00 32.58 31.38 2ux4 s HIS 98 CO 0.52 -0.66 0.97 0.00 -0.85 0.00 0.00 174.74 174.72 2ux4 s ALA 99 N 1.40 3.35 0.36 -1.40 0.00 0.16 -4.67 121.76 120.96 2ux4 s ALA 99 Ca 0.04 0.66 -0.28 0.00 0.00 0.00 0.00 51.96 52.38 2ux4 s ALA 99 Cb -0.15 -3.23 -0.11 0.00 0.00 0.00 0.00 23.12 19.63 2ux4 s ALA 99 CO -0.06 0.15 1.48 -2.30 0.00 0.00 0.00 175.76 175.03 2ux4 n PRO 100 N 1.43 2.61 0.04 0.00 -0.02 -1.26 -1.04 135.00 136.76 2ux4 n PRO 100 Ca -0.02 0.92 -0.02 0.00 -2.02 0.00 0.00 63.50 62.36 2ux4 n PRO 100 Cb 0.47 -2.63 -0.08 0.00 -0.02 0.00 0.00 33.50 31.23 2ux4 n PRO 100 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2ux4 h THR 101 N 2.94 0.76 0.00 3.45 1.35 -1.45 -3.46 112.91 116.50 2ux4 h THR 101 Ca -0.50 -2.32 0.00 0.00 -0.55 0.00 0.00 66.41 63.04 2ux4 h THR 101 Cb 1.25 2.26 0.00 0.00 -1.73 0.00 0.00 68.15 69.93 2ux4 h THR 101 CO 0.65 0.43 0.00 0.61 -0.25 0.00 0.00 175.52 176.97 2ux4 n GLY 102 N 1.39 4.15 3.58 5.82 0.00 -1.26 -5.08 105.19 113.79 2ux4 n GLY 102 Ca -0.08 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 2ux4 n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ux4 s ASP 103 N 1.00 6.54 0.52 1.61 -1.08 -1.26 -4.95 116.67 119.05 2ux4 s ASP 103 Ca 0.00 0.25 0.26 0.00 -0.52 0.00 0.00 52.55 52.54 2ux4 s ASP 103 Cb 0.00 -2.43 1.45 0.00 -1.46 0.00 0.00 42.92 40.48 2ux4 s ASP 103 CO 0.00 -0.89 2.09 1.55 0.52 0.00 0.00 175.17 178.44 2ux4 h PRO 104 N 8.75 0.00 0.40 4.34 0.13 -1.94 0.64 132.00 144.31 2ux4 h PRO 104 Ca -0.24 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.87 2ux4 h PRO 104 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2ux4 h PRO 104 CO 0.97 0.11 -0.19 0.52 -0.23 0.00 0.00 178.00 179.18 2ux4 h MET 105 N 0.00 -0.51 -0.91 0.86 2.86 -1.93 -1.84 114.93 113.46 2ux4 h MET 105 Ca -0.00 0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.74 2ux4 h MET 105 Cb 0.28 0.12 -0.06 0.00 0.06 0.00 0.00 31.60 32.00 2ux4 h MET 105 CO 0.01 -0.21 0.57 0.87 1.06 0.00 0.00 176.91 179.22 2ux4 h LYS 106 N -0.84 1.00 0.00 1.72 6.56 -1.85 -3.10 116.57 120.07 2ux4 h LYS 106 Ca -0.05 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.48 2ux4 h LYS 106 Cb 0.54 -0.23 0.00 0.00 -0.57 0.00 0.00 32.23 31.98 2ux4 h LYS 106 CO 0.09 0.66 -0.17 -0.25 -2.06 0.00 0.00 179.45 177.73 2ux4 n ASP 107 N -4.58 0.73 -1.75 0.86 8.00 0.18 -4.96 116.55 115.03 2ux4 n ASP 107 Ca 0.14 0.44 -0.06 0.00 0.71 0.00 0.00 54.79 56.02 2ux4 n ASP 107 Cb 0.19 -0.52 0.03 0.00 -0.02 0.00 0.00 41.12 40.80 2ux4 n ASP 107 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ux4 n GLY 108 N 1.33 0.23 3.44 0.44 0.00 -0.74 -4.74 105.19 105.15 2ux4 n GLY 108 Ca 0.05 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 2ux4 n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ux4 s VAL 109 N -3.12 1.48 0.00 1.61 -7.23 -0.93 -3.72 120.40 108.49 2ux4 s VAL 109 Ca 0.04 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 2ux4 s VAL 109 Cb -0.02 -2.57 0.00 0.00 0.56 0.00 0.00 36.38 34.35 2ux4 s VAL 109 CO 0.24 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 2ux4 n GLY 110 N -0.62 2.02 0.09 2.32 0.00 -1.26 -2.00 105.19 105.74 2ux4 n GLY 110 Ca -0.04 -0.54 0.09 0.00 0.00 0.00 0.00 46.02 45.52 2ux4 n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ux4 n PRO 111 N 10.43 0.10 -0.12 1.61 -0.04 -1.26 -1.66 135.00 144.06 2ux4 n PRO 111 Ca 0.00 0.44 0.03 0.00 -0.04 0.00 0.00 63.50 63.93 2ux4 n PRO 111 Cb 0.00 -1.74 0.10 0.00 -0.04 0.00 0.00 33.50 31.81 2ux4 n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ux4 n ALA 112 N -1.66 2.49 -1.69 0.55 0.00 -0.85 -3.13 120.51 116.22 2ux4 n ALA 112 Ca 0.01 -0.39 -0.35 0.00 0.00 0.00 0.00 53.44 52.72 2ux4 n ALA 112 Cb 0.14 -0.99 0.03 0.00 0.00 0.00 0.00 19.45 18.63 2ux4 n ALA 112 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2ux4 s SER 113 N -0.96 5.25 0.08 0.00 0.01 -0.66 -3.93 113.70 113.48 2ux4 s SER 113 Ca 0.14 2.28 0.02 0.00 1.31 0.00 0.00 55.95 59.70 2ux4 s SER 113 Cb 0.08 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 2ux4 s SER 113 CO 0.10 -1.55 -0.07 -1.66 0.41 0.00 0.00 173.24 170.46 2ux4 s TRP 114 N -1.77 0.85 0.08 2.43 1.48 -1.24 -4.29 118.94 116.47 2ux4 s TRP 114 Ca 0.75 -0.77 0.02 0.00 -1.06 0.00 0.00 56.10 55.04 2ux4 s TRP 114 Cb -0.27 -0.49 -0.04 0.00 -1.16 0.00 0.00 33.47 31.51 2ux4 s TRP 114 CO 0.33 -0.12 0.10 0.08 -4.06 0.00 0.00 176.95 173.29 2ux4 s VAL 115 N -2.88 4.68 -1.41 -0.66 1.01 -1.26 -5.02 120.40 114.86 2ux4 s VAL 115 Ca 0.05 -0.70 -0.14 0.00 0.00 0.00 0.00 61.98 61.19 2ux4 s VAL 115 Cb 0.00 -3.26 0.06 0.00 0.00 0.00 0.00 36.38 33.18 2ux4 s VAL 115 CO -0.03 0.13 2.10 0.00 0.00 0.00 0.00 175.10 177.30 2ux4 n ALA 116 N 0.42 5.21 -1.61 5.51 0.00 -1.26 -4.85 120.51 123.93 2ux4 n ALA 116 Ca -0.08 -3.94 -0.29 0.00 0.00 0.00 0.00 53.44 49.13 2ux4 n ALA 116 Cb 0.51 -3.47 0.11 0.00 0.00 0.00 0.00 19.45 16.61 2ux4 n ALA 116 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2ux4 s ARG 117 N 2.94 1.61 0.30 0.00 0.52 -1.26 -4.97 118.95 118.09 2ux4 s ARG 117 Ca 0.47 0.37 -0.30 0.00 -0.52 0.00 0.00 55.73 55.75 2ux4 s ARG 117 Cb 0.12 -1.89 -0.12 0.00 0.52 0.00 0.00 34.95 33.58 2ux4 s ARG 117 CO -0.05 -1.89 1.44 -2.13 0.02 0.00 0.00 175.30 172.68 2ux4 n ARG 118 N -3.57 2.32 -1.18 3.54 3.00 -1.26 -4.20 116.66 115.31 2ux4 n ARG 118 Ca 0.07 0.82 -0.19 0.00 -0.00 0.00 0.00 57.85 58.55 2ux4 n ARG 118 Cb 0.59 -2.50 -0.07 0.00 0.00 0.00 0.00 32.46 30.47 2ux4 n ARG 118 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2ux4 n ASP 119 N 1.58 6.02 -4.34 6.15 2.03 -1.26 -2.35 116.55 124.38 2ux4 n ASP 119 Ca 0.08 -2.91 -0.18 0.00 0.52 0.00 0.00 54.79 52.30 2ux4 n ASP 119 Cb 0.35 -1.26 -0.10 0.00 -0.72 0.00 0.00 41.12 39.39 2ux4 n ASP 119 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2ux4 s LEU 120 N -1.31 2.45 0.44 -2.67 1.43 -1.26 -4.93 118.68 112.83 2ux4 s LEU 120 Ca 0.53 -1.10 -0.17 0.00 -1.03 0.00 0.00 54.13 52.35 2ux4 s LEU 120 Cb 0.32 -0.49 -0.09 0.00 0.03 0.00 0.00 46.19 45.96 2ux4 s LEU 120 CO -0.11 -0.33 0.91 -2.16 0.23 0.00 0.00 176.35 174.89 2ux4 s PRO 121 N -3.74 4.05 0.37 1.29 0.05 -1.26 -0.74 135.00 135.02 2ux4 s PRO 121 Ca 0.24 0.93 -0.28 0.00 0.05 0.00 0.00 61.00 61.94 2ux4 s PRO 121 Cb 0.03 -2.23 -0.10 0.00 0.05 0.00 0.00 34.50 32.25 2ux4 s PRO 121 CO 0.07 -0.08 1.34 -2.00 0.05 0.00 0.00 177.00 176.38 2ux4 s GLU 122 N -3.52 4.17 0.08 4.56 2.12 -1.26 -4.85 118.70 119.99 2ux4 s GLU 122 Ca 0.59 2.27 0.07 0.00 0.36 0.00 0.00 54.97 58.25 2ux4 s GLU 122 Cb -0.10 -2.94 -0.04 0.00 0.26 0.00 0.00 34.13 31.32 2ux4 s GLU 122 CO 0.22 -0.37 -0.13 -0.51 -0.54 0.00 0.00 175.26 173.93 2ux4 s LEU 123 N -2.08 2.88 0.00 2.70 1.43 -1.26 -0.87 118.68 121.48 2ux4 s LEU 123 Ca 0.52 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 53.12 2ux4 s LEU 123 Cb -0.41 -1.70 0.16 0.00 0.03 0.00 0.00 46.19 44.28 2ux4 s LEU 123 CO 0.54 0.21 0.94 -0.90 0.23 0.00 0.00 176.35 177.37 2ux4 n ASP 124 N 1.06 0.19 0.05 2.29 5.68 0.87 -4.74 116.55 121.95 2ux4 n ASP 124 Ca -0.15 -1.42 0.08 0.00 -0.50 0.00 0.00 54.79 52.81 2ux4 n ASP 124 Cb 0.52 -0.71 0.35 0.00 -1.14 0.00 0.00 41.12 40.14 2ux4 n ASP 124 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ux4 n GLY 125 N -1.28 -1.01 0.52 6.12 0.00 -1.26 -1.08 105.19 107.21 2ux4 n GLY 125 Ca 0.12 0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.26 2ux4 n GLY 125 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ux4 n HIS 126 N -1.79 0.00 -0.68 1.61 8.25 -1.26 -4.97 115.22 116.39 2ux4 n HIS 126 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2ux4 n HIS 126 Cb 0.16 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.27 2ux4 n HIS 126 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ux4 n GLY 127 N 1.33 0.60 3.92 -1.41 0.00 -0.24 -5.06 105.19 104.34 2ux4 n GLY 127 Ca 0.09 -0.52 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 2ux4 n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ux4 s HIS 128 N -2.00 3.49 -0.02 1.61 3.76 -1.26 -4.80 115.29 116.07 2ux4 s HIS 128 Ca 0.00 0.48 -0.35 0.00 -0.15 0.00 0.00 55.06 55.05 2ux4 s HIS 128 Cb 0.00 -1.98 -0.13 0.00 1.11 0.00 0.00 32.58 31.57 2ux4 s HIS 128 CO 0.00 0.20 1.72 0.09 -0.85 0.00 0.00 174.74 175.91 2ux4 n ASN 129 N -1.13 3.06 -0.26 1.40 4.13 -1.26 -0.09 115.26 121.11 2ux4 n ASN 129 Ca -0.03 1.03 -0.04 0.00 1.68 0.00 0.00 54.58 57.22 2ux4 n ASN 129 Cb 0.55 -1.35 0.07 0.00 -1.54 0.00 0.00 39.78 37.51 2ux4 n ASN 129 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 2ux4 h LYS 130 N 7.54 0.92 -5.23 3.52 3.64 -1.30 -3.43 116.57 122.23 2ux4 h LYS 130 Ca -0.47 -0.06 -0.67 0.00 -1.27 0.00 0.00 60.65 58.19 2ux4 h LYS 130 Cb 1.28 -0.21 -0.30 0.00 -0.41 0.00 0.00 32.23 32.59 2ux4 h LYS 130 CO 0.92 0.61 -0.81 0.42 -2.27 0.00 0.00 179.45 178.31 2ux4 s ILE 131 N -6.13 2.61 0.08 2.00 1.01 -1.26 -1.06 121.20 118.46 2ux4 s ILE 131 Ca -0.13 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.75 2ux4 s ILE 131 Cb 0.15 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 2ux4 s ILE 131 CO 0.77 0.52 -0.09 -0.54 0.00 0.00 0.00 174.94 175.61 2ux4 s LYS 132 N 0.67 0.74 0.40 2.79 1.02 0.01 -4.65 119.74 120.72 2ux4 s LYS 132 Ca -0.08 -1.05 -0.27 0.00 0.02 0.00 0.00 55.97 54.59 2ux4 s LYS 132 Cb -0.16 -0.42 -0.10 0.00 -0.52 0.00 0.00 37.83 36.64 2ux4 s LYS 132 CO 0.02 0.06 1.41 -1.25 -0.92 0.00 0.00 175.35 174.67 2ux4 s PRO 133 N -2.53 3.98 0.30 -1.68 0.04 -1.26 0.12 135.00 133.98 2ux4 s PRO 133 Ca 0.01 2.40 -0.01 0.00 0.04 0.00 0.00 61.00 63.44 2ux4 s PRO 133 Cb -0.04 -2.84 0.49 0.00 0.04 0.00 0.00 34.50 32.15 2ux4 s PRO 133 CO -0.01 -0.57 1.96 1.98 0.04 0.00 0.00 177.00 180.40 2ux4 h MET 134 N 2.77 1.04 -0.73 4.56 4.05 -0.97 -1.18 114.93 124.47 2ux4 h MET 134 Ca -0.50 -0.06 0.21 0.00 -0.28 0.00 0.00 59.70 59.06 2ux4 h MET 134 Cb 1.25 -0.23 -0.03 0.00 -0.80 0.00 0.00 31.60 31.78 2ux4 h MET 134 CO 0.63 0.69 0.64 1.57 0.23 0.00 0.00 176.91 180.66 2ux4 h LYS 135 N 1.07 0.00 -0.29 0.39 2.10 -1.91 0.66 116.57 118.59 2ux4 h LYS 135 Ca 0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 2ux4 h LYS 135 Cb -0.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.30 2ux4 h LYS 135 CO -0.09 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.36 2ux4 n ALA 136 N -2.51 2.39 -3.27 0.07 0.00 -0.46 -4.86 120.51 111.87 2ux4 n ALA 136 Ca 0.15 -0.93 -0.39 0.00 0.00 0.00 0.00 53.44 52.26 2ux4 n ALA 136 Cb 0.90 -0.68 -0.11 0.00 0.00 0.00 0.00 19.45 19.56 2ux4 n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ux4 s ALA 137 N -1.29 3.20 0.13 0.00 0.00 0.22 -4.97 121.76 119.05 2ux4 s ALA 137 Ca 0.30 -2.01 -0.30 0.00 0.00 0.00 0.00 51.96 49.95 2ux4 s ALA 137 Cb 0.18 -2.50 -0.06 0.00 0.00 0.00 0.00 23.12 20.73 2ux4 s ALA 137 CO 0.25 -1.54 1.07 0.00 0.00 0.00 0.00 175.76 175.53 2ux4 s ALA 138 N 1.41 3.32 -0.72 0.00 0.00 -1.26 -0.89 121.76 123.62 2ux4 s ALA 138 Ca 0.02 0.73 0.02 0.00 0.00 0.00 0.00 51.96 52.73 2ux4 s ALA 138 Cb -0.22 -3.34 0.18 0.00 0.00 0.00 0.00 23.12 19.74 2ux4 s ALA 138 CO 0.02 -0.19 0.53 0.20 0.00 0.00 0.00 175.76 176.32 2ux4 s GLY 139 N 0.16 2.86 0.16 0.00 0.00 -1.26 -5.09 107.32 104.15 2ux4 s GLY 139 Ca 0.50 -3.70 -0.16 0.00 0.00 0.00 0.00 44.72 41.36 2ux4 s GLY 139 CO 0.32 1.10 0.59 -1.36 0.00 0.00 0.00 173.10 173.75 2ux4 s PHE 140 N -1.12 3.63 0.13 1.90 0.40 -0.07 -5.08 117.98 117.78 2ux4 s PHE 140 Ca 0.24 1.15 -0.20 0.00 -0.60 0.00 0.00 56.93 57.51 2ux4 s PHE 140 Cb -0.10 -2.43 0.05 0.00 0.51 0.00 0.00 43.02 41.05 2ux4 s PHE 140 CO -0.12 0.42 0.50 -3.38 0.70 0.00 0.00 175.22 173.34 2ux4 s HIS 141 N -1.45 -0.37 0.07 0.36 -3.43 -1.26 -4.90 115.29 104.30 2ux4 s HIS 141 Ca 0.38 0.15 -0.31 0.00 -0.80 0.00 0.00 55.06 54.49 2ux4 s HIS 141 Cb -0.16 0.39 -0.08 0.00 -1.43 0.00 0.00 32.58 31.30 2ux4 s HIS 141 CO 0.19 -0.75 1.66 0.08 -2.00 0.00 0.00 174.74 173.92 2ux4 s VAL 142 N -3.57 3.00 -0.38 -5.38 1.01 -1.26 -4.92 120.40 108.91 2ux4 s VAL 142 Ca 0.01 0.46 0.12 0.00 0.00 0.00 0.00 61.98 62.58 2ux4 s VAL 142 Cb 0.00 -3.30 -0.16 0.00 0.00 0.00 0.00 36.38 32.93 2ux4 s VAL 142 CO -0.11 -0.00 0.43 -1.54 0.00 0.00 0.00 175.10 173.88 2ux4 n SER 143 N 5.56 1.13 -3.52 3.32 3.41 -1.26 -5.04 113.62 117.22 2ux4 n SER 143 Ca 0.16 -0.50 -0.09 0.00 -0.26 0.00 0.00 58.87 58.17 2ux4 n SER 143 Cb 0.40 1.21 -0.03 0.00 -0.26 0.00 0.00 64.21 65.53 2ux4 n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ux4 s ALA 144 N -2.42 -1.85 0.04 7.33 0.00 -1.26 -5.16 121.76 118.44 2ux4 s ALA 144 Ca 0.01 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.15 2ux4 s ALA 144 Cb 0.09 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.32 2ux4 s ALA 144 CO 0.51 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 176.11 2ux4 n GLY 145 N 0.06 -2.04 3.68 0.00 0.00 -1.26 -4.85 105.19 100.78 2ux4 n GLY 145 Ca -0.10 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 2ux4 n GLY 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ux4 s LYS 146 N -2.16 4.24 -0.14 1.61 2.47 -1.26 -4.97 119.74 119.52 2ux4 s LYS 146 Ca 0.00 2.08 -0.29 0.00 -1.56 0.00 0.00 55.97 56.20 2ux4 s LYS 146 Cb 0.00 -3.66 -0.04 0.00 -1.46 0.00 0.00 37.83 32.67 2ux4 s LYS 146 CO 0.00 -0.67 1.65 1.21 0.16 0.00 0.00 175.35 177.69 2ux4 s ASN 147 N 2.29 6.49 0.40 1.43 3.84 -1.26 -4.90 114.94 123.23 2ux4 s ASN 147 Ca 0.68 1.91 0.27 0.00 0.21 0.00 0.00 52.86 55.93 2ux4 s ASN 147 Cb -0.33 -2.53 0.92 0.00 -0.55 0.00 0.00 41.25 38.75 2ux4 s ASN 147 CO 0.28 -1.12 1.79 1.55 -2.79 0.00 0.00 177.10 176.81 2ux4 h PRO 148 N 10.28 0.00 -6.32 0.43 0.13 -1.96 -3.45 132.00 131.12 2ux4 h PRO 148 Ca -0.36 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.23 2ux4 h PRO 148 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2ux4 h PRO 148 CO 0.98 0.00 1.07 0.42 -0.23 0.00 0.00 178.00 180.23 2ux4 s ILE 149 N -3.37 3.42 0.00 -3.56 1.01 -1.26 -1.39 121.20 116.04 2ux4 s ILE 149 Ca 0.05 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.32 2ux4 s ILE 149 Cb 0.09 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 39.16 2ux4 s ILE 149 CO 0.55 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 176.06 2ux4 n GLY 150 N 4.11 2.66 3.77 6.18 0.00 -0.51 -5.02 105.19 116.38 2ux4 n GLY 150 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2ux4 n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ux4 s LEU 151 N 0.00 4.37 0.51 0.99 1.43 -0.49 -4.65 118.68 120.83 2ux4 s LEU 151 Ca 0.00 2.17 -0.22 0.00 -1.03 0.00 0.00 54.13 55.05 2ux4 s LEU 151 Cb 0.00 -3.88 -0.06 0.00 0.03 0.00 0.00 46.19 42.28 2ux4 s LEU 151 CO 0.00 -0.31 1.26 -2.16 0.23 0.00 0.00 176.35 175.37 2ux4 s PRO 152 N -1.92 3.43 -0.19 1.29 0.04 -1.26 -1.03 135.00 135.37 2ux4 s PRO 152 Ca 0.51 2.00 -0.04 0.00 0.04 0.00 0.00 61.00 63.51 2ux4 s PRO 152 Cb -0.28 -2.32 -0.02 0.00 0.04 0.00 0.00 34.50 31.92 2ux4 s PRO 152 CO 0.35 -0.88 -0.04 0.08 0.04 0.00 0.00 177.00 176.55 2ux4 s VAL 153 N -1.43 3.67 -0.05 -0.36 1.01 0.19 -1.26 120.40 122.17 2ux4 s VAL 153 Ca 0.68 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 62.26 2ux4 s VAL 153 Cb -0.34 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 2ux4 s VAL 153 CO 0.41 0.45 -0.05 -0.60 0.00 0.00 0.00 175.10 175.31 2ux4 s ARG 154 N 0.89 2.73 0.39 2.72 3.52 0.38 0.04 118.95 129.63 2ux4 s ARG 154 Ca -0.00 -0.58 0.08 0.00 -0.13 0.00 0.00 55.73 55.09 2ux4 s ARG 154 Cb -0.15 -2.60 -0.00 0.00 -1.56 0.00 0.00 34.95 30.64 2ux4 s ARG 154 CO 0.01 0.65 0.50 0.20 -0.81 0.00 0.00 175.30 175.85 2ux4 s GLY 155 N -1.04 1.88 0.02 8.12 0.00 -0.49 0.02 107.32 115.83 2ux4 s GLY 155 Ca 0.14 -1.65 0.01 0.00 0.00 0.00 0.00 44.72 43.23 2ux4 s GLY 155 CO 0.04 -1.50 1.04 0.00 0.00 0.00 0.00 173.10 172.68 2ux4 n ASP 157 N -1.54 2.21 -1.52 0.00 5.75 -1.26 -4.70 116.55 115.48 2ux4 n ASP 157 Ca -0.00 -1.90 -0.17 0.00 -0.01 0.00 0.00 54.79 52.71 2ux4 n ASP 157 Cb 0.01 -0.22 -0.05 0.00 -1.03 0.00 0.00 41.12 39.83 2ux4 n ASP 157 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2ux4 n LEU 158 N 0.69 -1.43 -4.77 -2.12 4.77 0.22 -4.99 117.00 109.38 2ux4 n LEU 158 Ca 0.15 0.24 -0.27 0.00 -0.03 0.00 0.00 56.01 56.11 2ux4 n LEU 158 Cb 0.38 -2.40 -0.06 0.00 -2.33 0.00 0.00 43.42 39.00 2ux4 n LEU 158 CO 0.11 -0.59 -0.25 -1.61 -1.33 0.00 0.00 177.39 173.73 2ux4 s GLU 159 N -3.98 2.79 -0.12 3.23 0.41 -1.25 -4.88 118.70 114.90 2ux4 s GLU 159 Ca 0.00 -0.90 -0.30 0.00 -0.41 0.00 0.00 54.97 53.36 2ux4 s GLU 159 Cb 0.00 -2.59 -0.01 0.00 -1.78 0.00 0.00 34.13 29.74 2ux4 s GLU 159 CO 0.00 0.49 1.12 0.42 -0.49 0.00 0.00 175.26 176.80 2ux4 s ILE 160 N -1.70 4.51 -0.08 -1.63 -1.09 -1.26 -1.39 121.20 118.55 2ux4 s ILE 160 Ca 0.30 1.81 0.22 0.00 -2.23 0.00 0.00 60.65 60.75 2ux4 s ILE 160 Cb -0.10 -4.16 -0.26 0.00 -1.58 0.00 0.00 42.46 36.36 2ux4 s ILE 160 CO 0.22 -0.05 0.60 0.00 -1.23 0.00 0.00 174.94 174.47 2ux4 n ALA 161 N 5.57 2.67 0.00 9.38 0.00 0.11 -4.96 120.51 133.28 2ux4 n ALA 161 Ca 0.11 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2ux4 n ALA 161 Cb 0.47 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.11 2ux4 n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ux4 n GLY 162 N 1.27 -0.56 3.09 0.00 0.00 -1.20 -4.26 105.19 103.52 2ux4 n GLY 162 Ca -0.04 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 2ux4 n GLY 162 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ux4 s LYS 163 N -1.14 0.33 0.05 1.61 -2.85 -0.87 0.55 119.74 117.42 2ux4 s LYS 163 Ca 0.00 -0.01 -0.30 0.00 -1.00 0.00 0.00 55.97 54.66 2ux4 s LYS 163 Cb 0.00 0.15 -0.05 0.00 -2.06 0.00 0.00 37.83 35.87 2ux4 s LYS 163 CO 0.00 -0.06 1.14 0.08 0.10 0.00 0.00 175.35 176.60 2ux4 s VAL 164 N -0.51 4.25 -0.13 1.79 1.01 -0.20 -0.55 120.40 126.06 2ux4 s VAL 164 Ca -0.06 1.62 0.02 0.00 0.00 0.00 0.00 61.98 63.56 2ux4 s VAL 164 Cb -0.04 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 2ux4 s VAL 164 CO 0.01 0.13 0.17 1.33 0.00 0.00 0.00 175.10 176.74 2ux4 n VAL 165 N 3.90 0.00 -3.67 2.92 0.24 0.37 -1.42 118.33 120.66 2ux4 n VAL 165 Ca 0.08 -0.46 0.02 0.00 -2.04 0.00 0.00 64.34 61.94 2ux4 n VAL 165 Cb 0.48 1.01 -0.00 0.00 -1.47 0.00 0.00 33.84 33.85 2ux4 n VAL 165 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2ux4 s ASP 166 N -1.05 -0.05 -0.07 -1.34 -1.08 -1.19 -4.95 116.67 106.95 2ux4 s ASP 166 Ca 0.01 -0.15 0.05 0.00 -0.52 0.00 0.00 52.55 51.94 2ux4 s ASP 166 Cb 0.02 0.16 -0.01 0.00 -1.46 0.00 0.00 42.92 41.63 2ux4 s ASP 166 CO 0.08 -0.31 -0.21 -0.63 0.52 0.00 0.00 175.17 174.62 2ux4 s ILE 167 N -2.36 2.41 -0.23 4.11 1.01 -1.26 -1.44 121.20 123.44 2ux4 s ILE 167 Ca 0.16 -0.93 -0.14 0.00 0.00 0.00 0.00 60.65 59.74 2ux4 s ILE 167 Cb 0.04 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 2ux4 s ILE 167 CO -0.03 0.57 0.32 0.26 0.00 0.00 0.00 174.94 176.05 2ux4 s TRP 168 N -0.19 3.32 0.11 3.97 0.52 0.84 -0.23 118.94 127.28 2ux4 s TRP 168 Ca -0.02 0.44 0.07 0.00 0.02 0.00 0.00 56.10 56.61 2ux4 s TRP 168 Cb -0.13 -2.47 -0.04 0.00 -1.15 0.00 0.00 33.47 29.68 2ux4 s TRP 168 CO 0.03 -0.06 -0.11 0.14 0.02 0.00 0.00 176.95 176.97 2ux4 s VAL 169 N 1.48 3.29 -0.51 4.03 -7.23 0.12 -0.14 120.40 121.43 2ux4 s VAL 169 Ca 0.14 -1.32 -0.20 0.00 -1.81 0.00 0.00 61.98 58.79 2ux4 s VAL 169 Cb -0.15 -2.54 0.06 0.00 0.56 0.00 0.00 36.38 34.31 2ux4 s VAL 169 CO 0.08 0.10 0.67 -0.62 -0.31 0.00 0.00 175.10 175.02 2ux4 s ASP 170 N -2.23 6.24 0.08 4.85 -1.08 -0.14 -0.81 116.67 123.57 2ux4 s ASP 170 Ca 0.21 -0.84 -0.32 0.00 -0.52 0.00 0.00 52.55 51.09 2ux4 s ASP 170 Cb -0.11 -2.31 -0.18 0.00 -1.46 0.00 0.00 42.92 38.86 2ux4 s ASP 170 CO 0.13 -0.95 1.64 0.40 0.52 0.00 0.00 175.17 176.91 2ux4 h ILE 171 N 5.89 0.39 0.00 4.11 5.03 -1.41 0.30 117.51 131.82 2ux4 h ILE 171 Ca -0.27 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.45 2ux4 h ILE 171 Cb 1.09 0.39 -0.00 0.00 -3.03 0.00 0.00 36.82 35.27 2ux4 h ILE 171 CO 0.99 0.00 -0.06 1.55 -0.68 0.00 0.00 178.15 179.94 2ux4 h PRO 172 N -0.80 0.00 -0.09 2.37 0.13 -1.94 -2.81 132.00 128.85 2ux4 h PRO 172 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2ux4 h PRO 172 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 2ux4 h PRO 172 CO 0.11 0.06 0.00 0.39 -0.23 0.00 0.00 178.00 178.34 2ux4 n GLU 173 N -3.32 1.04 -3.96 0.86 1.02 -1.12 -5.02 120.64 110.14 2ux4 n GLU 173 Ca -0.01 -1.33 -0.39 0.00 -0.02 0.00 0.00 57.16 55.40 2ux4 n GLU 173 Cb 0.24 -1.21 0.02 0.00 -0.02 0.00 0.00 31.44 30.47 2ux4 n GLU 173 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2ux4 n GLN 174 N 0.53 -0.66 -3.96 3.49 6.02 0.10 -4.96 117.38 117.94 2ux4 n GLN 174 Ca 0.07 0.30 -0.09 0.00 -0.01 0.00 0.00 57.00 57.27 2ux4 n GLN 174 Cb 0.29 -2.64 -0.10 0.00 1.02 0.00 0.00 30.24 28.81 2ux4 n GLN 174 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ux4 s MET 175 N -6.63 0.49 -0.15 -1.09 0.23 -1.15 -4.99 119.30 106.01 2ux4 s MET 175 Ca 0.36 -0.72 -0.26 0.00 -1.03 0.00 0.00 55.69 54.05 2ux4 s MET 175 Cb -0.19 0.19 -0.02 0.00 -1.53 0.00 0.00 34.83 33.28 2ux4 s MET 175 CO 0.94 -0.11 0.84 0.00 -2.03 0.00 0.00 175.02 174.66 2ux4 s ALA 176 N -2.26 3.47 -0.16 3.16 0.00 -1.26 -0.97 121.76 123.74 2ux4 s ALA 176 Ca -0.08 0.10 -0.00 0.00 0.00 0.00 0.00 51.96 51.97 2ux4 s ALA 176 Cb -0.04 -3.22 -0.10 0.00 0.00 0.00 0.00 23.12 19.76 2ux4 s ALA 176 CO -0.03 -0.57 -0.15 0.54 0.00 0.00 0.00 175.76 175.54 2ux4 n ARG 177 N 5.00 0.40 -4.11 0.00 5.12 0.80 -4.80 116.66 119.07 2ux4 n ARG 177 Ca 0.04 0.10 -0.10 0.00 -1.93 0.00 0.00 57.85 55.97 2ux4 n ARG 177 Cb 0.49 -1.30 -0.10 0.00 -1.16 0.00 0.00 32.46 30.39 2ux4 n ARG 177 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2ux4 s PHE 178 N -2.32 0.68 -0.21 -1.55 0.40 -1.02 -1.17 117.98 112.79 2ux4 s PHE 178 Ca -0.22 -0.84 -0.10 0.00 -0.60 0.00 0.00 56.93 55.17 2ux4 s PHE 178 Cb 0.06 -0.43 -0.05 0.00 0.51 0.00 0.00 43.02 43.12 2ux4 s PHE 178 CO 0.37 -0.20 0.15 -0.51 0.70 0.00 0.00 175.22 175.72 2ux4 s LEU 179 N -2.56 4.18 -0.32 -0.37 1.43 -0.24 -0.11 118.68 120.70 2ux4 s LEU 179 Ca 0.03 0.21 -0.26 0.00 -1.03 0.00 0.00 54.13 53.09 2ux4 s LEU 179 Cb 0.01 -2.11 0.01 0.00 0.03 0.00 0.00 46.19 44.13 2ux4 s LEU 179 CO -0.05 0.14 0.90 -0.70 0.23 0.00 0.00 176.35 176.87 2ux4 s GLU 180 N 0.57 3.99 -0.18 1.70 2.12 -0.52 -0.94 118.70 125.43 2ux4 s GLU 180 Ca 0.08 0.75 -0.03 0.00 0.36 0.00 0.00 54.97 56.13 2ux4 s GLU 180 Cb -0.12 -3.74 -0.02 0.00 0.26 0.00 0.00 34.13 30.52 2ux4 s GLU 180 CO 0.00 -0.78 -0.05 0.08 -0.54 0.00 0.00 175.26 173.98 2ux4 s VAL 181 N 3.23 3.62 -0.04 3.70 1.01 0.38 -0.48 120.40 131.81 2ux4 s VAL 181 Ca 0.37 -0.44 -0.18 0.00 0.00 0.00 0.00 61.98 61.73 2ux4 s VAL 181 Cb -0.13 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 2ux4 s VAL 181 CO 0.14 0.47 0.51 -0.70 0.00 0.00 0.00 175.10 175.52 2ux4 s GLU 182 N 0.79 4.25 0.50 2.72 2.12 0.28 -0.42 118.70 128.94 2ux4 s GLU 182 Ca -0.02 0.56 0.07 0.00 0.36 0.00 0.00 54.97 55.95 2ux4 s GLU 182 Cb -0.15 -3.35 0.04 0.00 0.26 0.00 0.00 34.13 30.93 2ux4 s GLU 182 CO 0.02 0.36 0.68 -0.51 -0.54 0.00 0.00 175.26 175.26 2ux4 s LEU 183 N -0.07 3.42 0.47 2.70 1.43 0.66 -2.05 118.68 125.23 2ux4 s LEU 183 Ca 0.28 -0.45 0.32 0.00 -1.03 0.00 0.00 54.13 53.24 2ux4 s LEU 183 Cb -0.17 -2.41 1.42 0.00 0.03 0.00 0.00 46.19 45.07 2ux4 s LEU 183 CO 0.14 -1.03 1.68 0.50 0.23 0.00 0.00 176.35 177.87 2ux4 h LYS 184 N 0.37 0.12 -0.19 1.70 3.64 -1.88 0.14 116.57 120.47 2ux4 h LYS 184 Ca -0.38 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 2ux4 h LYS 184 Cb 1.28 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2ux4 h LYS 184 CO 0.45 0.08 0.00 -0.40 -2.27 0.00 0.00 179.45 177.31 2ux4 n ASP 185 N -4.48 2.05 0.00 4.20 5.75 -1.26 -4.93 116.55 117.88 2ux4 n ASP 185 Ca 0.33 -1.76 0.00 0.00 -0.01 0.00 0.00 54.79 53.35 2ux4 n ASP 185 Cb 1.36 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 41.33 2ux4 n ASP 185 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ux4 n GLY 186 N 1.21 1.14 3.91 6.12 0.00 0.04 -5.05 105.19 112.57 2ux4 n GLY 186 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 2ux4 n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ux4 s SER 187 N -2.88 5.76 0.26 1.61 1.04 -1.26 -4.78 113.70 113.46 2ux4 s SER 187 Ca 0.00 0.80 0.11 0.00 0.48 0.00 0.00 55.95 57.34 2ux4 s SER 187 Cb 0.00 -1.86 -0.05 0.00 0.10 0.00 0.00 66.02 64.21 2ux4 s SER 187 CO 0.00 -0.95 -0.13 0.42 0.98 0.00 0.00 173.24 173.55 2ux4 s THR 188 N -2.95 2.83 0.11 2.02 -4.23 -1.26 -0.25 115.64 111.92 2ux4 s THR 188 Ca 0.53 -2.18 0.06 0.00 -1.18 0.00 0.00 61.69 58.91 2ux4 s THR 188 Cb -0.10 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 71.21 2ux4 s THR 188 CO 0.46 -0.36 -0.14 -0.13 -0.54 0.00 0.00 174.62 173.91 2ux4 s ARG 189 N -3.48 0.98 -0.08 3.99 1.81 0.44 -4.87 118.95 117.74 2ux4 s ARG 189 Ca 0.30 -1.20 -0.18 0.00 -1.72 0.00 0.00 55.73 52.93 2ux4 s ARG 189 Cb -0.06 -0.86 -0.05 0.00 -0.45 0.00 0.00 34.95 33.54 2ux4 s ARG 189 CO 0.16 0.16 0.49 -0.51 -0.68 0.00 0.00 175.30 174.93 2ux4 s LEU 190 N -2.36 4.33 -0.15 2.53 1.43 -1.26 -0.47 118.68 122.72 2ux4 s LEU 190 Ca 0.07 0.90 -0.02 0.00 -1.03 0.00 0.00 54.13 54.05 2ux4 s LEU 190 Cb -0.05 -2.72 -0.02 0.00 0.03 0.00 0.00 46.19 43.43 2ux4 s LEU 190 CO 0.03 0.06 -0.08 -0.76 0.23 0.00 0.00 176.35 175.83 2ux4 s LEU 191 N 0.24 2.96 0.26 1.79 2.01 -0.12 -4.97 118.68 120.85 2ux4 s LEU 191 Ca 0.27 -0.25 -0.31 0.00 0.01 0.00 0.00 54.13 53.85 2ux4 s LEU 191 Cb -0.16 -1.70 -0.12 0.00 0.01 0.00 0.00 46.19 44.22 2ux4 s LEU 191 CO 0.12 0.15 1.57 -2.65 1.01 0.00 0.00 176.35 176.55 2ux4 n PRO 192 N 3.64 2.50 -0.32 1.29 -0.02 -1.26 -1.08 135.00 139.76 2ux4 n PRO 192 Ca -0.18 0.89 0.01 0.00 -2.02 0.00 0.00 63.50 62.21 2ux4 n PRO 192 Cb 0.52 -2.65 0.20 0.00 -0.02 0.00 0.00 33.50 31.55 2ux4 n PRO 192 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 2ux4 h MET 193 N 5.05 1.11 0.00 -0.52 4.05 -1.46 -1.55 114.93 121.61 2ux4 h MET 193 Ca -0.46 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 58.90 2ux4 h MET 193 Cb 1.24 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.79 2ux4 h MET 193 CO 0.82 0.73 0.00 1.04 0.23 0.00 0.00 176.91 179.73 2ux4 n GLN 194 N -4.45 0.39 -0.01 0.39 3.00 -1.26 -2.87 117.38 112.56 2ux4 n GLN 194 Ca 0.12 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.12 2ux4 n GLN 194 Cb 0.11 -1.48 0.01 0.00 0.00 0.00 0.00 30.24 28.88 2ux4 n GLN 194 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 2ux4 n MET 195 N -0.98 2.30 -4.36 -1.09 2.81 -0.59 -5.02 117.12 110.19 2ux4 n MET 195 Ca 0.09 -1.37 -0.28 0.00 -1.81 0.00 0.00 57.70 54.33 2ux4 n MET 195 Cb 0.04 -0.93 -0.13 0.00 -0.71 0.00 0.00 33.22 31.49 2ux4 n MET 195 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2ux4 s VAL 196 N -0.91 2.11 -0.30 2.03 -7.23 -1.14 -4.42 120.40 110.54 2ux4 s VAL 196 Ca 0.02 -1.71 -0.03 0.00 -1.81 0.00 0.00 61.98 58.45 2ux4 s VAL 196 Cb 0.02 -1.88 0.04 0.00 0.56 0.00 0.00 36.38 35.11 2ux4 s VAL 196 CO 0.00 0.04 0.02 -0.75 -0.31 0.00 0.00 175.10 174.11 2ux4 s LYS 197 N -2.04 2.63 -0.22 4.82 2.20 0.03 -4.97 119.74 122.20 2ux4 s LYS 197 Ca 0.12 -1.14 -0.29 0.00 -0.36 0.00 0.00 55.97 54.30 2ux4 s LYS 197 Cb -0.10 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 2ux4 s LYS 197 CO 0.06 -0.57 1.13 0.08 -0.36 0.00 0.00 175.35 175.69 2ux4 s VAL 198 N 1.33 4.51 0.48 4.02 1.01 -1.26 -0.29 120.40 130.19 2ux4 s VAL 198 Ca -0.03 1.81 0.04 0.00 0.00 0.00 0.00 61.98 63.80 2ux4 s VAL 198 Cb -0.19 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 2ux4 s VAL 198 CO -0.00 -0.20 0.09 -1.10 0.00 0.00 0.00 175.10 173.89 2ux4 s GLN 199 N 3.38 2.16 0.31 2.72 -0.21 0.61 -5.00 119.66 123.63 2ux4 s GLN 199 Ca 0.48 -2.19 0.00 0.00 0.02 0.00 0.00 55.36 53.68 2ux4 s GLN 199 Cb -0.17 -1.72 0.49 0.00 1.00 0.00 0.00 33.01 32.61 2ux4 s GLN 199 CO 0.10 -0.29 1.89 0.66 -2.12 0.00 0.00 175.29 175.53 2ux4 h SER 200 N 1.36 0.73 -0.05 5.90 4.64 -2.00 -3.25 113.55 120.88 2ux4 h SER 200 Ca -0.43 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 2ux4 h SER 200 Cb 1.29 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2ux4 h SER 200 CO 0.72 0.67 0.00 -0.46 -0.87 0.00 0.00 176.83 176.89 2ux4 n ASN 201 N -4.32 1.75 -3.56 4.97 6.94 -1.26 -5.07 115.26 114.71 2ux4 n ASN 201 Ca 0.04 -1.57 -0.07 0.00 -0.02 0.00 0.00 54.58 52.96 2ux4 n ASN 201 Cb 0.17 -0.03 -0.02 0.00 -2.36 0.00 0.00 39.78 37.54 2ux4 n ASN 201 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ux4 s ARG 202 N -0.63 0.91 -0.19 -3.83 1.70 -1.23 -4.54 118.95 111.14 2ux4 s ARG 202 Ca 0.05 -0.38 -0.07 0.00 -0.47 0.00 0.00 55.73 54.85 2ux4 s ARG 202 Cb 0.03 0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 34.75 2ux4 s ARG 202 CO 0.04 -0.40 0.07 0.08 -1.08 0.00 0.00 175.30 174.00 2ux4 s VAL 203 N -3.16 4.74 -0.13 4.99 1.01 -0.39 -0.28 120.40 127.18 2ux4 s VAL 203 Ca 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 2ux4 s VAL 203 Cb -0.01 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 2ux4 s VAL 203 CO -0.06 0.44 -0.02 -2.28 0.00 0.00 0.00 175.10 173.17 2ux4 s HIS 204 N 0.56 3.08 -0.34 5.22 2.46 0.60 -0.47 115.29 126.40 2ux4 s HIS 204 Ca 0.03 -0.08 0.03 0.00 0.47 0.00 0.00 55.06 55.51 2ux4 s HIS 204 Cb -0.13 -1.89 0.10 0.00 -0.13 0.00 0.00 32.58 30.52 2ux4 s HIS 204 CO 0.01 0.17 0.06 0.08 -2.47 0.00 0.00 174.74 172.59 2ux4 s VAL 205 N -0.13 2.46 0.26 0.89 1.01 0.10 -0.79 120.40 124.21 2ux4 s VAL 205 Ca 0.03 -2.19 0.04 0.00 0.00 0.00 0.00 61.98 59.86 2ux4 s VAL 205 Cb -0.13 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.51 2ux4 s VAL 205 CO 0.02 -0.54 1.63 -1.13 0.00 0.00 0.00 175.10 175.08 2ux4 h ASN 206 N 7.71 0.34 -0.46 3.32 -1.24 -1.84 -2.22 115.58 121.19 2ux4 h ASN 206 Ca -0.08 -0.16 -0.03 0.00 0.71 0.00 0.00 56.30 56.75 2ux4 h ASN 206 Cb 1.03 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.96 2ux4 h ASN 206 CO 0.54 0.76 0.21 0.00 -1.29 0.00 0.00 177.43 177.66 2ux4 h ALA 207 N 1.25 1.42 -4.38 1.57 0.00 -1.87 -3.40 119.26 113.85 2ux4 h ALA 207 Ca 0.01 -0.13 -0.64 0.00 0.00 0.00 0.00 54.91 54.15 2ux4 h ALA 207 Cb 0.93 -0.21 -0.30 0.00 0.00 0.00 0.00 17.79 18.21 2ux4 h ALA 207 CO 0.08 0.44 -0.87 -0.51 0.00 0.00 0.00 179.25 178.39 2ux4 s LEU 208 N -9.41 2.04 0.72 0.00 1.43 -1.24 -3.48 118.68 108.73 2ux4 s LEU 208 Ca -0.09 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 52.47 2ux4 s LEU 208 Cb 0.16 -1.19 0.02 0.00 0.03 0.00 0.00 46.19 45.21 2ux4 s LEU 208 CO 0.77 0.27 1.10 -0.94 0.23 0.00 0.00 176.35 177.77 2ux4 s SER 209 N -0.43 5.32 0.37 2.29 1.04 -1.26 -0.86 113.70 120.16 2ux4 s SER 209 Ca 0.06 1.18 0.05 0.00 0.48 0.00 0.00 55.95 57.71 2ux4 s SER 209 Cb -0.10 -1.97 0.72 0.00 0.10 0.00 0.00 66.02 64.77 2ux4 s SER 209 CO 0.00 -1.43 2.00 0.77 0.98 0.00 0.00 173.24 175.56 2ux4 h SER 210 N -0.72 0.57 0.78 7.02 4.64 -1.87 -2.30 113.55 121.67 2ux4 h SER 210 Ca -0.45 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2ux4 h SER 210 Cb 1.25 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2ux4 h SER 210 CO 0.63 0.46 0.00 -0.90 -0.87 0.00 0.00 176.83 176.15 2ux4 n ASP 211 N -4.42 0.21 -0.63 4.97 5.75 -1.26 -2.73 116.55 118.43 2ux4 n ASP 211 Ca 0.04 0.54 0.13 0.00 -0.01 0.00 0.00 54.79 55.49 2ux4 n ASP 211 Cb 0.09 -0.59 0.38 0.00 -1.03 0.00 0.00 41.12 39.98 2ux4 n ASP 211 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2ux4 n LEU 212 N -1.72 1.98 -0.05 -2.12 4.77 -0.87 -4.34 117.00 114.67 2ux4 n LEU 212 Ca 0.04 -0.66 -0.16 0.00 -0.03 0.00 0.00 56.01 55.20 2ux4 n LEU 212 Cb 0.25 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.28 2ux4 n LEU 212 CO 0.20 0.33 0.38 -0.26 -1.33 0.00 0.00 177.39 176.71 2ux4 h PHE 213 N 3.10 0.93 -0.73 -1.77 -1.00 -1.63 -3.03 116.94 112.81 2ux4 h PHE 213 Ca 0.00 -0.37 0.13 0.00 2.81 0.00 0.00 57.97 60.54 2ux4 h PHE 213 Cb 0.66 -0.16 -0.05 0.00 3.61 0.00 0.00 35.95 40.02 2ux4 h PHE 213 CO 0.00 1.18 0.49 0.00 -1.61 0.00 0.00 178.31 178.36 2ux4 h ALA 214 N 0.58 2.03 0.00 2.45 0.00 -1.80 -2.05 119.26 120.46 2ux4 h ALA 214 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ux4 h ALA 214 Cb 1.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2ux4 h ALA 214 CO 0.12 -0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.57 2ux4 n GLY 215 N -1.51 -1.28 3.67 0.00 0.00 -1.15 -4.83 105.19 100.10 2ux4 n GLY 215 Ca 0.13 -0.09 -0.46 0.00 0.00 0.00 0.00 46.02 45.60 2ux4 n GLY 215 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2ux4 n ILE 216 N -1.46 0.16 -1.62 -0.61 5.41 -0.77 -4.87 119.36 115.59 2ux4 n ILE 216 Ca 0.07 -0.03 -0.55 0.00 1.00 0.00 0.00 62.75 63.24 2ux4 n ILE 216 Cb 0.27 -1.64 -0.07 0.00 -0.71 0.00 0.00 39.64 37.48 2ux4 n ILE 216 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2ux4 n PRO 217 N 4.30 0.98 -2.26 0.38 -0.02 -1.26 -4.97 135.00 132.14 2ux4 n PRO 217 Ca 0.18 0.36 -0.27 0.00 -2.02 0.00 0.00 63.50 61.75 2ux4 n PRO 217 Cb 0.29 -1.99 0.05 0.00 -0.02 0.00 0.00 33.50 31.83 2ux4 n PRO 217 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2ux4 s THR 218 N 1.41 3.03 0.16 3.45 -4.23 -1.26 -4.77 115.64 113.43 2ux4 s THR 218 Ca 0.90 -0.07 0.06 0.00 -1.18 0.00 0.00 61.69 61.39 2ux4 s THR 218 Cb -1.04 -3.26 -0.04 0.00 1.34 0.00 0.00 72.50 69.50 2ux4 s THR 218 CO 0.55 -0.28 0.09 0.27 -0.54 0.00 0.00 174.62 174.71 2ux4 s ILE 219 N -3.14 4.25 -0.03 2.99 -4.36 -1.26 -5.02 121.20 114.63 2ux4 s ILE 219 Ca 0.57 -1.16 0.12 0.00 -0.26 0.00 0.00 60.65 59.92 2ux4 s ILE 219 Cb -0.11 -3.15 -0.23 0.00 1.25 0.00 0.00 42.46 40.22 2ux4 s ILE 219 CO 0.46 -0.09 0.70 0.07 0.24 0.00 0.00 174.94 176.32 2ux4 h LYS 220 N 2.58 0.00 -5.83 0.37 2.10 -1.99 -3.44 116.57 110.36 2ux4 h LYS 220 Ca -0.47 0.00 -0.67 0.00 -2.00 0.00 0.00 60.65 57.51 2ux4 h LYS 220 Cb 1.20 0.00 -0.21 0.00 -0.90 0.00 0.00 32.23 32.31 2ux4 h LYS 220 CO 0.62 0.52 -0.71 -1.12 -2.00 0.00 0.00 179.45 176.76 2ux4 s SER 221 N -6.13 4.50 0.00 7.07 0.01 -1.26 -5.03 113.70 112.86 2ux4 s SER 221 Ca -0.04 -0.12 0.30 0.00 1.31 0.00 0.00 55.95 57.40 2ux4 s SER 221 Cb 0.08 -1.35 1.47 0.00 0.21 0.00 0.00 66.02 66.43 2ux4 s SER 221 CO 0.82 0.28 2.01 -2.65 0.41 0.00 0.00 173.24 174.12 2ux4 n PRO 222 N 2.76 0.57 -0.02 12.44 -0.02 -1.26 -3.30 135.00 146.17 2ux4 n PRO 222 Ca -0.18 -0.07 0.01 0.00 -2.02 0.00 0.00 63.50 61.23 2ux4 n PRO 222 Cb 0.53 -1.50 0.02 0.00 -0.02 0.00 0.00 33.50 32.52 2ux4 n PRO 222 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2ux4 n THR 223 N -1.15 0.90 -3.93 3.45 -2.24 -1.26 -4.98 114.28 105.08 2ux4 n THR 223 Ca 0.15 -0.95 -0.09 0.00 -2.27 0.00 0.00 64.05 60.89 2ux4 n THR 223 Cb 0.24 0.55 -0.07 0.00 -2.10 0.00 0.00 70.33 68.95 2ux4 n THR 223 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2ux4 s GLU 224 N -0.91 1.14 -0.01 -0.78 -1.05 -1.21 -4.57 118.70 111.31 2ux4 s GLU 224 Ca 0.02 -1.12 0.01 0.00 -0.15 0.00 0.00 54.97 53.73 2ux4 s GLU 224 Cb 0.01 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 2ux4 s GLU 224 CO 0.02 -0.42 -0.04 0.54 0.95 0.00 0.00 175.26 176.30 2ux4 s VAL 225 N -3.95 0.38 0.34 1.83 0.11 -1.26 -4.55 120.40 113.30 2ux4 s VAL 225 Ca 0.15 -0.16 -0.02 0.00 -2.93 0.00 0.00 61.98 59.02 2ux4 s VAL 225 Cb 0.03 -0.36 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 2ux4 s VAL 225 CO -0.01 0.13 0.57 0.42 -3.33 0.00 0.00 175.10 172.88 2ux4 s THR 226 N 0.19 5.06 0.28 5.04 -4.23 -1.26 -4.09 115.64 116.63 2ux4 s THR 226 Ca -0.02 -0.21 0.02 0.00 -1.18 0.00 0.00 61.69 60.30 2ux4 s THR 226 Cb -0.05 -3.81 0.27 0.00 1.34 0.00 0.00 72.50 70.24 2ux4 s THR 226 CO -0.00 -0.50 1.75 -0.07 -0.54 0.00 0.00 174.62 175.26 2ux4 h LEU 227 N 1.06 0.55 -0.46 4.79 3.38 -0.99 0.22 115.31 123.86 2ux4 h LEU 227 Ca -0.49 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 2ux4 h LEU 227 Cb 1.21 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 2ux4 h LEU 227 CO 0.63 0.18 0.23 0.25 0.09 0.00 0.00 178.44 179.83 2ux4 h LEU 228 N 0.61 0.59 -0.72 1.67 5.85 -1.63 -1.73 115.31 119.95 2ux4 h LEU 228 Ca 0.52 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 59.06 2ux4 h LEU 228 Cb 0.83 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 2ux4 h LEU 228 CO -0.41 0.54 0.19 -0.33 -0.34 0.00 0.00 178.44 178.09 2ux4 h GLU 229 N 0.60 1.14 -0.40 1.25 5.08 -1.43 -2.57 114.58 118.26 2ux4 h GLU 229 Ca 0.16 -0.27 0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2ux4 h GLU 229 Cb 0.09 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 2ux4 h GLU 229 CO -0.02 1.00 0.17 0.93 -1.00 0.00 0.00 179.01 180.09 2ux4 h GLU 230 N 1.09 0.35 -0.77 2.33 5.08 -0.37 -1.14 114.58 121.13 2ux4 h GLU 230 Ca 0.23 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 2ux4 h GLU 230 Cb 0.35 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2ux4 h GLU 230 CO -0.00 0.23 0.30 -0.44 -1.00 0.00 0.00 179.01 178.10 2ux4 h ASP 231 N 0.36 1.06 -0.47 1.42 5.19 -1.16 0.16 116.42 122.98 2ux4 h ASP 231 Ca 0.17 -0.16 -0.13 0.00 -0.62 0.00 0.00 57.03 56.29 2ux4 h ASP 231 Cb 0.12 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.34 2ux4 h ASP 231 CO -0.15 0.94 -0.22 0.11 -3.12 0.00 0.00 179.24 176.80 2ux4 h LYS 232 N 1.12 0.99 0.17 3.56 1.57 -1.13 -0.92 116.57 121.94 2ux4 h LYS 232 Ca 0.26 -0.43 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 2ux4 h LYS 232 Cb 0.22 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2ux4 h LYS 232 CO -0.02 1.10 -0.08 0.82 -0.57 0.00 0.00 179.45 180.70 2ux4 h ILE 233 N 0.85 0.94 -0.44 1.86 2.04 -0.96 -1.76 117.51 120.05 2ux4 h ILE 233 Ca 0.11 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 2ux4 h ILE 233 Cb 0.80 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 2ux4 h ILE 233 CO 0.07 0.17 0.23 0.00 0.00 0.00 0.00 178.15 178.61 2ux4 h GLY 235 N 0.58 0.96 0.98 0.00 0.00 -1.25 -1.06 103.07 103.27 2ux4 h GLY 235 Ca 0.15 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 2ux4 h GLY 235 CO -0.02 0.39 0.15 -1.82 0.00 0.00 0.00 176.54 175.24 2ux4 h TYR 236 N 0.90 0.32 -0.17 5.60 3.20 -0.93 -0.30 116.97 125.59 2ux4 h TYR 236 Ca 0.24 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.08 2ux4 h TYR 236 Cb -0.02 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 2ux4 h TYR 236 CO -0.02 0.23 -0.01 0.28 -1.64 0.00 0.00 178.16 177.00 2ux4 h VAL 237 N 0.31 1.26 -0.99 1.81 2.07 -1.07 -2.80 116.25 116.85 2ux4 h VAL 237 Ca 0.09 -0.90 0.06 0.00 0.82 0.00 0.00 66.70 66.77 2ux4 h VAL 237 Cb 0.00 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 2ux4 h VAL 237 CO -0.02 0.27 0.64 0.00 0.02 0.00 0.00 177.57 178.49 2ux4 h ALA 238 N 0.76 1.41 0.00 1.67 0.00 -1.17 -2.51 119.26 119.42 2ux4 h ALA 238 Ca 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ux4 h ALA 238 Cb 0.41 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2ux4 h ALA 238 CO 0.01 0.45 -0.02 0.78 0.00 0.00 0.00 179.25 180.48 2ux4 h GLY 239 N 1.17 0.00 1.94 0.00 0.00 -0.78 -1.80 103.07 103.61 2ux4 h GLY 239 Ca 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.75 2ux4 h GLY 239 CO -0.16 0.00 0.01 -1.33 0.00 0.00 0.00 176.54 175.06 2ux4 h GLY 240 N 0.07 0.08 0.10 4.60 0.00 -1.31 0.31 103.07 106.92 2ux4 h GLY 240 Ca -0.00 -0.03 0.08 0.00 0.00 0.00 0.00 47.33 47.38 2ux4 h GLY 240 CO 0.00 0.03 -0.17 1.41 0.00 0.00 0.00 176.54 177.82 2ux4 h LEU 241 N 0.08 -0.57 0.02 3.11 3.38 -1.35 0.45 115.31 120.42 2ux4 h LEU 241 Ca 0.02 0.14 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 2ux4 h LEU 241 Cb 0.03 0.32 0.01 0.00 0.09 0.00 0.00 40.66 41.11 2ux4 h LEU 241 CO -0.00 -0.20 -0.29 -0.03 0.09 0.00 0.00 178.44 178.01 2ux4 h MET 242 N -0.10 0.16 0.00 1.13 4.05 -1.64 -3.33 114.93 115.20 2ux4 h MET 242 Ca 0.19 -0.20 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2ux4 h MET 242 Cb 0.39 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.25 2ux4 h MET 242 CO -0.44 0.99 -0.43 1.88 0.23 0.00 0.00 176.91 179.13 2ux4 h TYR 243 N -0.58 0.00 -0.10 1.39 0.05 -0.66 -3.08 116.97 113.99 2ux4 h TYR 243 Ca -0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.74 2ux4 h TYR 243 Cb 1.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.84 2ux4 h TYR 243 CO 0.20 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.31 2ux4 n ALA 244 N -1.90 2.48 -0.30 3.88 0.00 0.16 -4.63 120.51 120.19 2ux4 n ALA 244 Ca 0.03 -0.67 0.07 0.00 0.00 0.00 0.00 53.44 52.87 2ux4 n ALA 244 Cb 0.47 -0.93 0.22 0.00 0.00 0.00 0.00 19.45 19.21 2ux4 n ALA 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ux4 h ALA 245 N 4.54 1.30 -0.76 0.00 0.00 -1.61 -1.98 119.26 120.76 2ux4 h ALA 245 Ca 0.00 0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.14 2ux4 h ALA 245 Cb 0.84 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.49 2ux4 h ALA 245 CO 0.00 -0.05 0.28 -1.35 0.00 0.00 0.00 179.25 178.13 2ux4 h PRO 246 N 0.67 0.39 -0.99 0.00 0.11 -1.84 -2.56 132.00 127.78 2ux4 h PRO 246 Ca 0.46 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 66.42 2ux4 h PRO 246 Cb 0.63 -0.09 -0.08 0.00 0.11 0.00 0.00 31.00 31.57 2ux4 h PRO 246 CO -0.35 0.26 0.16 1.63 -0.21 0.00 0.00 178.00 179.50 2ux4 n LYS 247 N -5.04 1.40 -3.73 1.05 4.01 -0.74 -4.76 118.16 110.35 2ux4 n LYS 247 Ca 0.15 -0.82 -0.12 0.00 -0.51 0.00 0.00 58.31 57.01 2ux4 n LYS 247 Cb 0.44 -1.35 -0.12 0.00 -0.51 0.00 0.00 35.03 33.49 2ux4 n LYS 247 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 2ux4 s ARG 248 N -0.95 0.30 0.00 1.97 3.52 -0.97 -4.22 118.95 118.61 2ux4 s ARG 248 Ca 0.15 0.58 0.00 0.00 -0.13 0.00 0.00 55.73 56.33 2ux4 s ARG 248 Cb 0.13 -0.02 0.00 0.00 -1.56 0.00 0.00 34.95 33.50 2ux4 s ARG 248 CO 0.03 -0.13 0.00 1.17 -0.81 0.00 0.00 175.30 175.56 2ux4 n LYS 249 N 3.92 0.00 -1.33 5.12 3.00 -1.26 -4.89 118.16 122.72 2ux4 n LYS 249 Ca -0.22 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.74 2ux4 n LYS 249 Cb 0.55 0.00 0.09 0.00 0.00 0.00 0.00 35.03 35.67 2ux4 n LYS 249 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2ux4 n SER 250 N 0.00 0.59 0.00 3.14 3.41 -1.26 -5.04 113.62 114.46 2ux4 n SER 250 Ca 0.00 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.27 2ux4 n SER 250 Cb 0.00 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 62.52 2ux4 n SER 250 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40