#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uj2 s PRO 20 N 0.00 2.28 -0.35 3.44 0.04 -1.26 -4.99 135.00 134.16 1uj2 s PRO 20 Ca 0.00 1.57 -0.17 0.00 0.04 0.00 0.00 61.00 62.44 1uj2 s PRO 20 Cb 0.00 -1.87 -0.00 0.00 0.04 0.00 0.00 34.50 32.67 1uj2 s PRO 20 CO 0.00 -1.69 0.47 0.12 0.04 0.00 0.00 177.00 175.95 1uj2 s PHE 21 N -2.23 3.19 -0.16 0.56 5.36 0.00 -4.96 117.98 119.74 1uj2 s PHE 21 Ca 0.70 0.10 -0.12 0.00 -0.96 0.00 0.00 56.93 56.65 1uj2 s PHE 21 Cb -0.25 -2.86 -0.05 0.00 -0.34 0.00 0.00 43.02 39.52 1uj2 s PHE 21 CO 0.46 -0.52 0.25 -0.51 -1.46 0.00 0.00 175.22 173.43 1uj2 s LEU 22 N 2.29 4.26 -0.17 6.12 1.02 -1.26 -1.23 118.68 129.71 1uj2 s LEU 22 Ca 0.17 0.47 0.01 0.00 0.02 0.00 0.00 54.13 54.79 1uj2 s LEU 22 Cb -0.16 -2.29 0.01 0.00 0.02 0.00 0.00 46.19 43.78 1uj2 s LEU 22 CO 0.13 0.16 -0.19 -0.63 0.02 0.00 0.00 176.35 175.84 1uj2 s ILE 23 N 0.21 2.17 -0.01 -0.59 1.01 0.37 -0.54 121.20 123.82 1uj2 s ILE 23 Ca 0.15 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 59.77 1uj2 s ILE 23 Cb -0.13 -1.91 -0.05 0.00 0.01 0.00 0.00 42.46 40.38 1uj2 s ILE 23 CO 0.03 0.53 0.33 -0.83 0.00 0.00 0.00 174.94 175.01 1uj2 s GLY 24 N 1.18 2.36 -0.06 6.18 0.00 0.04 -0.93 107.32 116.08 1uj2 s GLY 24 Ca 0.02 -0.38 -0.00 0.00 0.00 0.00 0.00 44.72 44.36 1uj2 s GLY 24 CO -0.09 -0.09 -0.03 0.14 0.00 0.00 0.00 173.10 173.03 1uj2 s VAL 25 N -1.16 0.54 0.16 1.40 1.01 0.35 -0.73 120.40 121.98 1uj2 s VAL 25 Ca 0.24 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.19 1uj2 s VAL 25 Cb -0.15 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.61 1uj2 s VAL 25 CO 0.13 0.26 0.05 -0.24 0.00 0.00 0.00 175.10 175.30 1uj2 n SER 26 N 4.62 1.12 0.00 3.32 2.88 -0.28 -1.42 113.62 123.85 1uj2 n SER 26 Ca -0.16 -1.84 0.00 0.00 -1.33 0.00 0.00 58.87 55.54 1uj2 n SER 26 Cb 0.50 0.39 0.00 0.00 -0.75 0.00 0.00 64.21 64.35 1uj2 n SER 26 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uj2 n GLY 27 N 1.19 3.79 3.54 0.46 0.00 -1.26 -0.60 105.19 112.31 1uj2 n GLY 27 Ca -0.03 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 1uj2 n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uj2 s GLY 28 N 0.00 1.54 0.31 -0.02 0.00 -1.26 -4.25 107.32 103.63 1uj2 s GLY 28 Ca 0.00 -0.65 -0.29 0.00 0.00 0.00 0.00 44.72 43.78 1uj2 s GLY 28 CO 0.00 0.17 1.50 -0.37 0.00 0.00 0.00 173.10 174.40 1uj2 n THR 29 N -4.83 1.38 -1.75 0.90 5.66 -1.26 -1.99 114.28 112.40 1uj2 n THR 29 Ca 0.09 -0.35 -0.21 0.00 -3.05 0.00 0.00 64.05 60.54 1uj2 n THR 29 Cb 0.58 -1.83 -0.08 0.00 -1.55 0.00 0.00 70.33 67.46 1uj2 n THR 29 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1uj2 n ALA 30 N 1.44 -0.37 0.23 1.79 0.00 -1.26 -4.78 120.51 117.56 1uj2 n ALA 30 Ca 0.07 0.31 0.11 0.00 0.00 0.00 0.00 53.44 53.93 1uj2 n ALA 30 Cb 0.36 -2.09 0.49 0.00 0.00 0.00 0.00 19.45 18.21 1uj2 n ALA 30 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1uj2 h SER 31 N 0.00 0.00 0.00 0.00 4.64 -1.73 -3.44 113.55 113.02 1uj2 h SER 31 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1uj2 h SER 31 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 1uj2 h SER 31 CO 0.62 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 177.37 1uj2 n GLY 32 N 0.16 1.74 0.21 -0.77 0.00 -1.26 -4.21 105.19 101.06 1uj2 n GLY 32 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1uj2 n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uj2 h LYS 33 N 0.01 -0.30 -0.29 1.61 1.57 -1.90 0.06 116.57 117.33 1uj2 h LYS 33 Ca 0.00 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1uj2 h LYS 33 Cb 0.00 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1uj2 h LYS 33 CO 0.00 -0.20 0.15 0.77 -0.57 0.00 0.00 179.45 179.60 1uj2 h SER 34 N -0.31 0.37 0.23 0.86 0.02 -1.97 -1.69 113.55 111.06 1uj2 h SER 34 Ca 0.03 -0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 60.80 1uj2 h SER 34 Cb 0.34 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1uj2 h SER 34 CO -0.11 0.36 -0.31 0.77 -1.14 0.00 0.00 176.83 176.40 1uj2 h SER 35 N 0.34 0.13 -0.03 3.07 4.64 -1.96 0.29 113.55 120.03 1uj2 h SER 35 Ca 0.10 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1uj2 h SER 35 Cb 0.08 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1uj2 h SER 35 CO -0.02 0.45 -0.00 0.58 -0.87 0.00 0.00 176.83 176.97 1uj2 h VAL 36 N 0.12 1.26 -0.66 0.95 2.07 -0.69 0.20 116.25 119.51 1uj2 h VAL 36 Ca 0.02 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1uj2 h VAL 36 Cb 0.62 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 1uj2 h VAL 36 CO 0.05 0.21 0.35 0.00 0.02 0.00 0.00 177.57 178.19 1uj2 h ALA 38 N 1.16 1.09 -0.57 0.00 0.00 -0.84 -2.19 119.26 117.91 1uj2 h ALA 38 Ca 0.23 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1uj2 h ALA 38 Cb 0.07 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1uj2 h ALA 38 CO -0.03 0.54 -0.06 -0.22 0.00 0.00 0.00 179.25 179.48 1uj2 h LYS 39 N 1.17 1.04 -0.14 0.00 1.63 -0.57 -2.11 116.57 117.59 1uj2 h LYS 39 Ca 0.31 -0.36 0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1uj2 h LYS 39 Cb -0.05 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.48 1uj2 h LYS 39 CO -0.06 1.05 0.04 0.82 -3.45 0.00 0.00 179.45 177.85 1uj2 h ILE 40 N 0.94 0.96 -0.05 2.00 2.04 -0.80 -0.86 117.51 121.73 1uj2 h ILE 40 Ca 0.15 -0.04 -0.12 0.00 1.00 0.00 0.00 64.86 65.86 1uj2 h ILE 40 Cb 0.62 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1uj2 h ILE 40 CO 0.04 0.02 -0.51 -0.37 0.00 0.00 0.00 178.15 177.33 1uj2 h VAL 41 N 0.10 1.36 -0.23 1.67 -1.51 -1.33 -2.17 116.25 114.14 1uj2 h VAL 41 Ca 0.06 -1.75 -0.02 0.00 -1.23 0.00 0.00 66.70 63.76 1uj2 h VAL 41 Cb 0.04 1.88 -0.01 0.00 -2.13 0.00 0.00 31.29 31.08 1uj2 h VAL 41 CO -0.07 0.51 0.07 -0.61 -1.23 0.00 0.00 177.57 176.24 1uj2 h GLN 42 N 0.11 0.35 0.00 5.19 -0.00 -1.16 -0.89 115.11 118.71 1uj2 h GLN 42 Ca 0.00 -0.08 -0.03 0.00 -0.00 0.00 0.00 58.65 58.55 1uj2 h GLN 42 Cb 0.93 -0.05 -0.00 0.00 0.00 0.00 0.00 27.48 28.36 1uj2 h GLN 42 CO 0.07 0.44 -0.12 -0.07 0.00 0.00 0.00 178.83 179.15 1uj2 h LEU 43 N 0.20 0.00 -0.50 -2.39 3.38 -1.00 -0.90 115.31 114.10 1uj2 h LEU 43 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1uj2 h LEU 43 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1uj2 h LEU 43 CO -0.00 0.12 0.00 0.18 0.09 0.00 0.00 178.44 178.83 1uj2 n LEU 44 N -3.43 0.77 -0.14 1.67 4.77 -0.83 -4.90 117.00 114.91 1uj2 n LEU 44 Ca -0.01 -0.27 -0.02 0.00 -0.03 0.00 0.00 56.01 55.69 1uj2 n LEU 44 Cb 0.29 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 1uj2 n LEU 44 CO 0.30 0.13 -0.02 0.61 -1.33 0.00 0.00 177.39 177.08 1uj2 n GLY 45 N 1.07 0.51 0.27 -0.72 0.00 -0.34 -4.91 105.19 101.07 1uj2 n GLY 45 Ca 0.21 -0.25 0.14 0.00 0.00 0.00 0.00 46.02 46.12 1uj2 n GLY 45 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1uj2 h GLN 46 N 0.49 0.00 0.00 1.61 1.08 -1.35 -2.17 115.11 114.76 1uj2 h GLN 46 Ca -0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1uj2 h GLN 46 Cb 0.32 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1uj2 h GLN 46 CO 0.06 0.11 0.00 0.09 -0.95 0.00 0.00 178.83 178.13 1uj2 n ASN 47 N -3.47 0.20 -1.19 1.46 3.02 -1.26 -2.32 115.26 111.71 1uj2 n ASN 47 Ca -0.01 0.54 0.08 0.00 -0.03 0.00 0.00 54.58 55.16 1uj2 n ASN 47 Cb 0.26 -0.59 0.28 0.00 -0.61 0.00 0.00 39.78 39.13 1uj2 n ASN 47 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1uj2 n GLU 48 N -1.71 3.36 -4.80 3.52 4.71 -0.82 -4.94 120.64 119.96 1uj2 n GLU 48 Ca 0.04 -2.68 -0.33 0.00 -0.01 0.00 0.00 57.16 54.18 1uj2 n GLU 48 Cb 0.24 -1.74 -0.13 0.00 -1.01 0.00 0.00 31.44 28.81 1uj2 n GLU 48 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1uj2 s VAL 49 N -1.91 3.17 0.48 2.62 1.01 -0.98 -5.10 120.40 119.70 1uj2 s VAL 49 Ca 0.42 -0.74 -0.24 0.00 0.00 0.00 0.00 61.98 61.43 1uj2 s VAL 49 Cb 0.28 -2.27 -0.07 0.00 0.00 0.00 0.00 36.38 34.32 1uj2 s VAL 49 CO 0.18 0.55 1.32 0.47 0.00 0.00 0.00 175.10 177.63 1uj2 n ASP 50 N 2.16 2.69 -0.32 3.32 8.00 -1.26 -4.73 116.55 126.41 1uj2 n ASP 50 Ca -0.17 1.05 -0.01 0.00 0.71 0.00 0.00 54.79 56.37 1uj2 n ASP 50 Cb 0.52 -1.55 0.05 0.00 -0.02 0.00 0.00 41.12 40.12 1uj2 n ASP 50 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1uj2 h TYR 51 N 1.82 -0.91 0.00 1.24 3.20 -1.98 0.31 116.97 120.64 1uj2 h TYR 51 Ca -0.50 0.09 -0.02 0.00 3.14 0.00 0.00 58.73 61.44 1uj2 h TYR 51 Cb 1.30 0.53 -0.00 0.00 1.54 0.00 0.00 36.73 40.09 1uj2 h TYR 51 CO 0.47 -0.39 -0.11 -0.09 -1.64 0.00 0.00 178.16 176.39 1uj2 h ARG 52 N -0.05 0.00 -0.01 1.82 9.65 -2.00 -2.87 114.38 120.92 1uj2 h ARG 52 Ca 0.33 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.21 1uj2 h ARG 52 Cb 0.60 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.18 1uj2 h ARG 52 CO -0.89 0.11 -0.23 1.04 2.80 0.00 0.00 179.97 182.81 1uj2 n GLN 53 N -3.74 1.09 -1.71 0.20 1.13 0.10 -4.97 117.38 109.48 1uj2 n GLN 53 Ca -0.02 -0.69 -0.43 0.00 -1.94 0.00 0.00 57.00 53.92 1uj2 n GLN 53 Cb 0.22 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 29.06 1uj2 n GLN 53 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1uj2 n LYS 54 N -0.36 2.38 -0.00 -1.09 5.02 -0.89 -4.89 118.16 118.34 1uj2 n LYS 54 Ca 0.13 0.85 0.11 0.00 -2.02 0.00 0.00 58.31 57.37 1uj2 n LYS 54 Cb 0.37 -2.57 -0.14 0.00 -0.02 0.00 0.00 35.03 32.68 1uj2 n LYS 54 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1uj2 n GLN 55 N 2.01 0.33 -4.07 1.97 6.02 -1.26 -4.72 117.38 117.66 1uj2 n GLN 55 Ca 0.10 -0.09 -0.24 0.00 -0.01 0.00 0.00 57.00 56.75 1uj2 n GLN 55 Cb 0.34 -1.52 -0.17 0.00 1.02 0.00 0.00 30.24 29.92 1uj2 n GLN 55 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1uj2 s VAL 56 N -3.26 0.83 0.15 5.09 1.01 -1.26 -1.41 120.40 121.54 1uj2 s VAL 56 Ca 0.00 -0.22 0.09 0.00 0.00 0.00 0.00 61.98 61.85 1uj2 s VAL 56 Cb 0.15 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 1uj2 s VAL 56 CO 0.88 0.32 -0.19 0.68 0.00 0.00 0.00 175.10 176.79 1uj2 s VAL 57 N 1.40 1.81 -0.15 2.92 -7.23 -0.69 -5.01 120.40 113.44 1uj2 s VAL 57 Ca -0.02 -1.80 -0.02 0.00 -1.81 0.00 0.00 61.98 58.33 1uj2 s VAL 57 Cb -0.13 -1.76 -0.02 0.00 0.56 0.00 0.00 36.38 35.03 1uj2 s VAL 57 CO -0.04 -0.22 -0.09 -0.63 -0.31 0.00 0.00 175.10 173.81 1uj2 s ILE 58 N -1.74 3.36 -0.06 -0.62 1.01 -1.26 -0.73 121.20 121.16 1uj2 s ILE 58 Ca 0.13 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 60.29 1uj2 s ILE 58 Cb -0.07 -2.45 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 1uj2 s ILE 58 CO 0.06 0.50 -0.22 -0.76 0.00 0.00 0.00 174.94 174.52 1uj2 s LEU 59 N 0.53 2.24 -0.09 2.97 1.02 0.92 -4.97 118.68 121.31 1uj2 s LEU 59 Ca -0.06 -0.43 0.00 0.00 0.02 0.00 0.00 54.13 53.66 1uj2 s LEU 59 Cb -0.15 -1.42 -0.03 0.00 0.02 0.00 0.00 46.19 44.61 1uj2 s LEU 59 CO 0.03 0.26 -0.08 -0.94 0.02 0.00 0.00 176.35 175.65 1uj2 s SER 60 N -0.27 4.51 0.52 2.29 1.04 -1.26 -1.15 113.70 119.38 1uj2 s SER 60 Ca 0.00 -0.10 0.21 0.00 0.48 0.00 0.00 55.95 56.54 1uj2 s SER 60 Cb -0.13 -1.30 1.40 0.00 0.10 0.00 0.00 66.02 66.09 1uj2 s SER 60 CO 0.03 0.30 2.13 -0.61 0.98 0.00 0.00 173.24 176.07 1uj2 h GLN 61 N 5.72 0.00 0.00 4.02 4.15 -1.13 -1.28 115.11 126.59 1uj2 h GLN 61 Ca -0.42 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.00 1uj2 h GLN 61 Cb 1.18 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.87 1uj2 h GLN 61 CO 0.54 0.06 -0.01 -0.44 -1.93 0.00 0.00 178.83 177.06 1uj2 h ASP 62 N 0.00 0.00 0.68 -0.69 3.32 -1.95 0.70 116.42 118.49 1uj2 h ASP 62 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1uj2 h ASP 62 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1uj2 h ASP 62 CO 0.01 0.01 0.00 0.28 -1.72 0.00 0.00 179.24 177.81 1uj2 h SER 63 N 0.00 0.00 -0.45 6.45 0.02 -1.53 -2.86 113.55 115.18 1uj2 h SER 63 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1uj2 h SER 63 Cb 0.11 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1uj2 h SER 63 CO 0.00 0.00 0.02 0.49 -1.14 0.00 0.00 176.83 176.20 1uj2 n PHE 64 N -2.45 1.60 -1.83 3.45 3.01 0.24 -4.36 117.46 117.12 1uj2 n PHE 64 Ca 0.01 -0.84 -0.38 0.00 1.01 0.00 0.00 57.45 57.25 1uj2 n PHE 64 Cb 0.22 -0.44 0.04 0.00 -0.01 0.00 0.00 39.48 39.29 1uj2 n PHE 64 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1uj2 s TYR 65 N -2.83 2.27 0.65 1.38 1.51 -1.08 -1.37 117.35 117.88 1uj2 s TYR 65 Ca 0.49 1.44 -0.14 0.00 -1.01 0.00 0.00 57.07 57.85 1uj2 s TYR 65 Cb 0.39 -3.70 -0.01 0.00 -0.11 0.00 0.00 41.96 38.53 1uj2 s TYR 65 CO 0.12 -2.73 1.07 1.03 -1.11 0.00 0.00 175.55 173.93 1uj2 s ARG 66 N -3.09 3.03 0.06 -0.62 0.52 -0.59 -4.73 118.95 113.53 1uj2 s ARG 66 Ca 0.75 1.17 -0.31 0.00 -0.52 0.00 0.00 55.73 56.83 1uj2 s ARG 66 Cb -0.37 -1.99 -0.06 0.00 0.52 0.00 0.00 34.95 33.04 1uj2 s ARG 66 CO 0.42 -1.04 1.25 0.08 0.02 0.00 0.00 175.30 176.03 1uj2 s VAL 67 N -2.62 3.87 0.32 3.52 1.01 -1.26 -4.94 120.40 120.30 1uj2 s VAL 67 Ca 0.63 1.34 -0.22 0.00 0.00 0.00 0.00 61.98 63.72 1uj2 s VAL 67 Cb -0.16 -3.86 -0.10 0.00 0.00 0.00 0.00 36.38 32.26 1uj2 s VAL 67 CO 0.44 0.09 0.86 -0.76 0.00 0.00 0.00 175.10 175.73 1uj2 s LEU 68 N 1.19 4.23 0.82 3.92 1.43 -1.26 -5.07 118.68 123.94 1uj2 s LEU 68 Ca 0.60 1.63 -0.12 0.00 -1.03 0.00 0.00 54.13 55.21 1uj2 s LEU 68 Cb -0.31 -4.01 0.09 0.00 0.03 0.00 0.00 46.19 41.99 1uj2 s LEU 68 CO 0.29 -0.12 1.15 0.42 0.23 0.00 0.00 176.35 178.32 1uj2 s THR 69 N -1.75 2.28 0.19 5.49 -4.23 -1.26 -4.79 115.64 111.57 1uj2 s THR 69 Ca 0.51 0.09 -0.12 0.00 -1.18 0.00 0.00 61.69 60.99 1uj2 s THR 69 Cb -0.15 -3.00 0.10 0.00 1.34 0.00 0.00 72.50 70.79 1uj2 s THR 69 CO 0.20 -0.12 1.81 -1.28 -0.54 0.00 0.00 174.62 174.70 1uj2 h SER 70 N -1.13 0.53 -0.76 3.99 0.87 -1.99 -1.12 113.55 113.95 1uj2 h SER 70 Ca -0.47 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.05 1uj2 h SER 70 Cb 1.32 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 63.15 1uj2 h SER 70 CO 0.64 0.36 0.29 -0.08 -0.53 0.00 0.00 176.83 177.51 1uj2 h GLU 71 N 0.66 1.14 -0.44 2.24 4.22 -2.00 -1.67 114.58 118.73 1uj2 h GLU 71 Ca 0.24 -0.22 -0.03 0.00 0.08 0.00 0.00 59.36 59.43 1uj2 h GLU 71 Cb 0.08 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1uj2 h GLU 71 CO -0.13 0.94 0.14 1.96 -2.18 0.00 0.00 179.01 179.75 1uj2 h GLN 72 N 1.10 0.69 -0.53 1.92 4.20 -1.80 -2.43 115.11 118.26 1uj2 h GLN 72 Ca 0.25 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.77 1uj2 h GLN 72 Cb 0.24 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1uj2 h GLN 72 CO -0.02 0.66 0.13 -0.22 -0.67 0.00 0.00 178.83 178.72 1uj2 h LYS 73 N 0.58 0.81 0.10 1.46 3.64 -1.01 0.12 116.57 122.26 1uj2 h LYS 73 Ca 0.14 -0.16 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1uj2 h LYS 73 Cb 0.26 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1uj2 h LYS 73 CO -0.01 0.72 -0.23 0.00 -2.27 0.00 0.00 179.45 177.67 1uj2 h ALA 74 N 1.37 -0.37 -0.29 5.00 0.00 -0.95 -0.49 119.26 123.52 1uj2 h ALA 74 Ca 0.17 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1uj2 h ALA 74 Cb 0.28 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1uj2 h ALA 74 CO -0.00 -0.75 -0.09 1.57 0.00 0.00 0.00 179.25 179.97 1uj2 h LYS 75 N -0.41 0.48 -0.98 0.00 2.10 -1.10 -2.47 116.57 114.19 1uj2 h LYS 75 Ca 0.03 -0.13 0.03 0.00 -2.00 0.00 0.00 60.65 58.59 1uj2 h LYS 75 Cb 0.44 -0.06 -0.05 0.00 -0.90 0.00 0.00 32.23 31.66 1uj2 h LYS 75 CO -0.14 0.58 0.64 0.00 -2.00 0.00 0.00 179.45 178.53 1uj2 h ALA 76 N 1.46 1.35 0.00 0.07 0.00 -0.20 0.36 119.26 122.29 1uj2 h ALA 76 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1uj2 h ALA 76 Cb 0.44 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1uj2 h ALA 76 CO 0.02 0.57 -0.03 -0.07 0.00 0.00 0.00 179.25 179.75 1uj2 h LEU 77 N 1.26 0.00 -2.26 0.00 3.38 -0.62 -1.38 115.31 115.68 1uj2 h LEU 77 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1uj2 h LEU 77 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1uj2 h LEU 77 CO -0.11 0.03 0.00 0.29 0.09 0.00 0.00 178.44 178.74 1uj2 n LYS 78 N -3.26 2.25 -1.95 1.13 5.02 -0.29 -4.94 118.16 116.12 1uj2 n LYS 78 Ca -0.02 -2.07 -0.09 0.00 -2.02 0.00 0.00 58.31 54.11 1uj2 n LYS 78 Cb 0.17 -1.43 -0.01 0.00 -0.02 0.00 0.00 35.03 33.74 1uj2 n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uj2 n GLY 79 N 1.22 0.25 0.83 0.72 0.00 -0.52 -4.94 105.19 102.75 1uj2 n GLY 79 Ca 0.16 -0.55 0.06 0.00 0.00 0.00 0.00 46.02 45.69 1uj2 n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1uj2 n GLN 80 N -2.05 2.41 -4.86 1.61 6.02 0.11 -4.37 117.38 116.25 1uj2 n GLN 80 Ca -0.10 -2.89 -0.31 0.00 -0.01 0.00 0.00 57.00 53.69 1uj2 n GLN 80 Cb 0.51 -1.79 -0.14 0.00 1.02 0.00 0.00 30.24 29.85 1uj2 n GLN 80 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1uj2 s PHE 81 N -2.94 2.52 -0.87 1.08 5.36 -1.24 -4.73 117.98 117.17 1uj2 s PHE 81 Ca 0.41 -0.29 -0.18 0.00 -0.96 0.00 0.00 56.93 55.91 1uj2 s PHE 81 Cb 0.35 -1.50 0.14 0.00 -0.34 0.00 0.00 43.02 41.67 1uj2 s PHE 81 CO 0.06 0.17 1.02 1.21 -1.46 0.00 0.00 175.22 176.21 1uj2 s ASN 82 N -1.10 6.59 0.00 6.13 3.84 -1.26 -4.82 114.94 124.31 1uj2 s ASN 82 Ca 0.13 -2.04 0.23 0.00 0.21 0.00 0.00 52.86 51.39 1uj2 s ASN 82 Cb -0.10 -2.36 1.28 0.00 -0.55 0.00 0.00 41.25 39.52 1uj2 s ASN 82 CO 0.03 -1.00 1.84 0.49 -2.79 0.00 0.00 177.10 175.66 1uj2 n PHE 83 N 6.14 0.03 0.77 0.43 3.01 -1.26 -3.57 117.46 123.00 1uj2 n PHE 83 Ca 0.17 -0.01 0.09 0.00 1.01 0.00 0.00 57.45 58.71 1uj2 n PHE 83 Cb 0.48 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 40.02 1uj2 n PHE 83 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1uj2 n ASP 84 N -0.62 2.50 -4.81 4.37 8.00 -1.26 -4.85 116.55 119.88 1uj2 n ASP 84 Ca 0.17 -1.75 -0.37 0.00 0.71 0.00 0.00 54.79 53.56 1uj2 n ASP 84 Cb 0.14 0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.19 1uj2 n ASP 84 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1uj2 s HIS 85 N -1.55 3.69 0.50 1.24 2.46 -1.23 -4.82 115.29 115.57 1uj2 s HIS 85 Ca 0.21 1.44 0.26 0.00 0.47 0.00 0.00 55.06 57.45 1uj2 s HIS 85 Cb 0.15 -2.65 1.35 0.00 -0.13 0.00 0.00 32.58 31.30 1uj2 s HIS 85 CO 0.24 0.36 1.90 -1.35 -2.47 0.00 0.00 174.74 173.41 1uj2 h PRO 86 N 3.54 0.11 0.00 2.88 0.11 -1.93 0.05 132.00 136.76 1uj2 h PRO 86 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1uj2 h PRO 86 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1uj2 h PRO 86 CO 0.65 0.08 0.00 -0.44 -0.21 0.00 0.00 178.00 178.08 1uj2 h ASP 87 N 0.12 0.00 1.00 -2.05 3.32 -1.93 -2.70 116.42 114.18 1uj2 h ASP 87 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 1uj2 h ASP 87 Cb 1.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.99 1uj2 h ASP 87 CO -0.05 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.47 1uj2 h ALA 88 N 2.08 1.00 -3.05 3.45 0.00 -1.24 -3.44 119.26 118.05 1uj2 h ALA 88 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 1uj2 h ALA 88 Cb 0.28 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 1uj2 h ALA 88 CO 0.00 0.00 -0.55 -0.06 0.00 0.00 0.00 179.25 178.64 1uj2 s PHE 89 N -3.32 3.34 -0.99 0.00 0.40 -1.02 -1.54 117.98 114.85 1uj2 s PHE 89 Ca 0.05 0.17 -0.18 0.00 -0.60 0.00 0.00 56.93 56.37 1uj2 s PHE 89 Cb 0.10 -1.69 0.13 0.00 0.51 0.00 0.00 43.02 42.06 1uj2 s PHE 89 CO 0.47 0.56 1.23 0.34 0.70 0.00 0.00 175.22 178.52 1uj2 s ASP 90 N -2.37 6.69 0.43 1.36 -1.08 -0.47 -4.79 116.67 116.43 1uj2 s ASP 90 Ca 0.31 -2.13 0.16 0.00 -0.52 0.00 0.00 52.55 50.36 1uj2 s ASP 90 Cb -0.13 -2.43 0.96 0.00 -1.46 0.00 0.00 42.92 39.87 1uj2 s ASP 90 CO 0.24 -1.07 1.94 -1.13 0.52 0.00 0.00 175.17 175.67 1uj2 h ASN 91 N 8.65 0.00 -0.43 -0.34 -0.73 -1.88 -2.10 115.58 118.76 1uj2 h ASN 91 Ca 0.20 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.30 1uj2 h ASN 91 Cb 0.99 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.57 1uj2 h ASN 91 CO 1.18 0.24 0.03 -0.33 -0.37 0.00 0.00 177.43 178.18 1uj2 h GLU 92 N 0.00 0.74 -0.43 6.67 3.07 -1.99 -1.31 114.58 121.33 1uj2 h GLU 92 Ca -0.00 -0.22 -0.10 0.00 -0.50 0.00 0.00 59.36 58.54 1uj2 h GLU 92 Cb 0.45 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 1uj2 h GLU 92 CO 0.03 0.80 -0.13 1.25 -1.40 0.00 0.00 179.01 179.55 1uj2 h LEU 93 N 0.59 0.78 0.03 1.33 5.85 -1.89 -1.35 115.31 120.64 1uj2 h LEU 93 Ca 0.13 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1uj2 h LEU 93 Cb 0.44 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1uj2 h LEU 93 CO 0.02 0.93 -0.01 0.40 -0.34 0.00 0.00 178.44 179.43 1uj2 h ILE 94 N 0.70 1.01 -0.08 4.05 2.04 -1.14 -0.08 117.51 124.02 1uj2 h ILE 94 Ca 0.11 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1uj2 h ILE 94 Cb 0.62 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1uj2 h ILE 94 CO 0.04 0.03 0.05 0.25 0.00 0.00 0.00 178.15 178.52 1uj2 h LEU 95 N -0.08 0.08 -0.26 1.44 6.46 -1.12 -0.07 115.31 121.77 1uj2 h LEU 95 Ca -0.00 -0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.79 1uj2 h LEU 95 Cb 0.07 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 1uj2 h LEU 95 CO 0.01 0.06 0.05 0.50 -0.62 0.00 0.00 178.44 178.44 1uj2 h LYS 96 N 0.10 0.15 -0.25 1.25 3.64 -1.12 -0.22 116.57 120.12 1uj2 h LYS 96 Ca 0.03 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1uj2 h LYS 96 Cb -0.01 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1uj2 h LYS 96 CO -0.01 0.10 0.11 1.15 -2.27 0.00 0.00 179.45 178.53 1uj2 h THR 97 N 0.15 1.16 -0.58 1.00 2.02 -0.82 -1.53 112.91 114.32 1uj2 h THR 97 Ca 0.12 -0.47 -0.06 0.00 0.77 0.00 0.00 66.41 66.77 1uj2 h THR 97 Cb 0.12 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1uj2 h THR 97 CO -0.15 0.16 0.11 -0.07 0.37 0.00 0.00 175.52 175.94 1uj2 h LEU 98 N 0.27 0.86 -0.40 2.58 3.38 -0.82 -1.20 115.31 119.98 1uj2 h LEU 98 Ca 0.09 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1uj2 h LEU 98 Cb 0.15 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1uj2 h LEU 98 CO -0.01 0.86 0.15 0.11 0.09 0.00 0.00 178.44 179.65 1uj2 h LYS 99 N 0.87 0.61 -0.94 1.13 1.57 -0.83 0.19 116.57 119.18 1uj2 h LYS 99 Ca 0.18 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1uj2 h LYS 99 Cb 0.36 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 1uj2 h LYS 99 CO 0.00 0.58 0.60 0.93 -0.57 0.00 0.00 179.45 180.99 1uj2 h GLU 100 N 0.51 1.25 -0.64 3.15 5.08 -0.98 -0.71 114.58 122.23 1uj2 h GLU 100 Ca 0.13 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1uj2 h GLU 100 Cb 0.20 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1uj2 h GLU 100 CO -0.01 0.85 0.19 0.82 -1.00 0.00 0.00 179.01 179.86 1uj2 h ILE 101 N 1.28 1.24 -0.10 3.13 2.04 -0.87 -1.05 117.51 123.18 1uj2 h ILE 101 Ca 0.34 -0.84 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 1uj2 h ILE 101 Cb -0.11 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1uj2 h ILE 101 CO -0.07 0.32 -0.09 0.74 0.00 0.00 0.00 178.15 179.05 1uj2 h THR 102 N 0.94 1.13 -0.03 -0.27 2.02 0.17 -1.01 112.91 115.86 1uj2 h THR 102 Ca 0.21 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1uj2 h THR 102 Cb 0.28 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1uj2 h THR 102 CO -0.01 0.17 0.00 -0.62 0.37 0.00 0.00 175.52 175.43 1uj2 n GLU 103 N -4.35 1.23 -1.04 6.66 1.02 -0.39 -4.44 120.64 119.34 1uj2 n GLU 103 Ca -0.01 -0.35 -0.02 0.00 -0.02 0.00 0.00 57.16 56.77 1uj2 n GLU 103 Cb 0.21 -1.40 -0.01 0.00 -0.02 0.00 0.00 31.44 30.23 1uj2 n GLU 103 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uj2 n GLY 104 N 0.97 0.52 3.86 0.62 0.00 -0.38 -5.03 105.19 105.75 1uj2 n GLY 104 Ca 0.18 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 1uj2 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uj2 s LYS 105 N -1.57 3.91 0.14 1.61 1.02 -0.58 -4.72 119.74 119.56 1uj2 s LYS 105 Ca 0.00 0.62 -0.26 0.00 0.02 0.00 0.00 55.97 56.36 1uj2 s LYS 105 Cb 0.00 -2.38 -0.07 0.00 -0.52 0.00 0.00 37.83 34.86 1uj2 s LYS 105 CO 0.00 0.04 0.80 0.99 -0.92 0.00 0.00 175.35 176.25 1uj2 s THR 106 N -2.20 4.43 0.12 2.17 2.01 -1.26 -4.42 115.64 116.48 1uj2 s THR 106 Ca 0.54 1.74 0.03 0.00 0.31 0.00 0.00 61.69 64.31 1uj2 s THR 106 Cb -0.10 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 1uj2 s THR 106 CO 0.24 0.48 -0.08 0.68 -0.69 0.00 0.00 174.62 175.25 1uj2 s VAL 107 N -0.85 0.89 -0.12 3.82 -7.23 -0.72 -4.98 120.40 111.20 1uj2 s VAL 107 Ca 0.37 -1.97 -0.02 0.00 -1.81 0.00 0.00 61.98 58.56 1uj2 s VAL 107 Cb -0.23 -1.73 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 1uj2 s VAL 107 CO 0.26 -0.81 -0.06 -1.10 -0.31 0.00 0.00 175.10 173.09 1uj2 s GLN 108 N -3.74 3.27 0.10 4.82 -1.52 -1.26 0.09 119.66 121.42 1uj2 s GLN 108 Ca 0.13 -0.54 0.08 0.00 -1.95 0.00 0.00 55.36 53.09 1uj2 s GLN 108 Cb 0.04 -2.76 -0.04 0.00 -0.22 0.00 0.00 33.01 30.03 1uj2 s GLN 108 CO -0.02 0.42 -0.22 0.96 -0.25 0.00 0.00 175.29 176.18 1uj2 s ILE 109 N -0.14 1.77 0.87 1.08 -4.36 0.18 -4.90 121.20 115.70 1uj2 s ILE 109 Ca 0.02 -1.56 -0.11 0.00 -0.26 0.00 0.00 60.65 58.74 1uj2 s ILE 109 Cb -0.13 -1.60 0.12 0.00 1.25 0.00 0.00 42.46 42.09 1uj2 s ILE 109 CO 0.03 -0.04 1.09 -2.16 0.24 0.00 0.00 174.94 174.10 1uj2 s PRO 110 N -1.91 1.42 -0.18 0.37 0.04 -1.26 -0.53 135.00 132.96 1uj2 s PRO 110 Ca 0.07 0.99 0.01 0.00 0.04 0.00 0.00 61.00 62.11 1uj2 s PRO 110 Cb -0.10 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.64 1uj2 s PRO 110 CO 0.04 -2.17 -0.18 0.08 0.04 0.00 0.00 177.00 174.81 1uj2 s VAL 111 N -2.88 2.24 -0.13 -0.36 1.01 -1.26 -4.72 120.40 114.31 1uj2 s VAL 111 Ca 0.63 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.66 1uj2 s VAL 111 Cb -0.18 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1uj2 s VAL 111 CO 0.57 0.53 0.13 -0.47 0.00 0.00 0.00 175.10 175.86 1uj2 s TYR 112 N 1.24 3.55 -0.33 5.22 5.04 -1.26 -0.37 117.35 130.44 1uj2 s TYR 112 Ca 0.03 0.49 -0.04 0.00 -2.44 0.00 0.00 57.07 55.11 1uj2 s TYR 112 Cb -0.14 -1.95 0.05 0.00 0.35 0.00 0.00 41.96 40.27 1uj2 s TYR 112 CO -0.10 0.68 0.06 0.34 -1.34 0.00 0.00 175.55 175.19 1uj2 s ASP 113 N -0.88 5.12 0.41 4.32 3.68 0.30 -4.94 116.67 124.69 1uj2 s ASP 113 Ca 0.14 -1.25 0.20 0.00 2.13 0.00 0.00 52.55 53.76 1uj2 s ASP 113 Cb -0.12 -1.79 0.89 0.00 -1.45 0.00 0.00 42.92 40.44 1uj2 s ASP 113 CO 0.03 -0.31 1.84 -0.26 0.13 0.00 0.00 175.17 176.61 1uj2 h PHE 114 N 8.11 0.00 -0.49 -5.34 -1.00 -1.92 -0.37 116.94 115.93 1uj2 h PHE 114 Ca -0.22 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.52 1uj2 h PHE 114 Cb 1.07 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.61 1uj2 h PHE 114 CO 0.60 0.31 0.13 0.28 -1.61 0.00 0.00 178.31 178.01 1uj2 h VAL 115 N 0.00 1.24 -0.14 -0.55 2.07 -1.87 -3.20 116.25 113.80 1uj2 h VAL 115 Ca -0.00 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1uj2 h VAL 115 Cb 0.70 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1uj2 h VAL 115 CO 0.04 0.30 0.00 -1.54 0.02 0.00 0.00 177.57 176.39 1uj2 n SER 116 N -4.48 2.98 -3.64 0.57 3.41 -1.16 -4.94 113.62 106.36 1uj2 n SER 116 Ca 0.01 -1.92 -0.27 0.00 -0.26 0.00 0.00 58.87 56.44 1uj2 n SER 116 Cb 0.21 -0.08 0.04 0.00 -0.26 0.00 0.00 64.21 64.12 1uj2 n SER 116 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1uj2 n HIS 117 N 1.26 -2.38 -3.90 7.33 -0.00 -0.19 -4.96 115.22 112.38 1uj2 n HIS 117 Ca 0.14 0.84 -0.09 0.00 -0.00 0.00 0.00 57.72 58.62 1uj2 n HIS 117 Cb 0.55 -4.27 -0.07 0.00 -0.00 0.00 0.00 29.99 26.20 1uj2 n HIS 117 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1uj2 s SER 118 N -3.16 0.10 0.03 0.41 1.04 -0.95 -4.71 113.70 106.46 1uj2 s SER 118 Ca 0.57 -0.74 -0.23 0.00 0.48 0.00 0.00 55.95 56.03 1uj2 s SER 118 Cb -0.27 0.37 -0.06 0.00 0.10 0.00 0.00 66.02 66.16 1uj2 s SER 118 CO 0.70 -0.78 0.70 -0.60 0.98 0.00 0.00 173.24 174.24 1uj2 s ARG 119 N -3.90 4.43 0.82 4.02 3.52 -1.26 -0.54 118.95 126.04 1uj2 s ARG 119 Ca 0.09 0.95 -0.12 0.00 -0.13 0.00 0.00 55.73 56.52 1uj2 s ARG 119 Cb 0.04 -3.35 0.08 0.00 -1.56 0.00 0.00 34.95 30.17 1uj2 s ARG 119 CO -0.07 0.34 1.15 0.15 -0.81 0.00 0.00 175.30 176.06 1uj2 s LYS 120 N -0.19 1.90 0.04 5.12 1.02 0.50 -4.94 119.74 123.19 1uj2 s LYS 120 Ca 0.36 0.25 -0.20 0.00 0.02 0.00 0.00 55.97 56.39 1uj2 s LYS 120 Cb -0.20 -1.93 -0.15 0.00 -0.52 0.00 0.00 37.83 35.03 1uj2 s LYS 120 CO 0.21 -1.67 1.30 1.05 -0.92 0.00 0.00 175.35 175.32 1uj2 h GLU 121 N -1.11 0.41 -7.11 1.68 -0.00 -1.97 -3.43 114.58 103.04 1uj2 h GLU 121 Ca -0.47 -0.25 -0.50 0.00 -0.00 0.00 0.00 59.36 58.13 1uj2 h GLU 121 Cb 1.31 0.03 0.08 0.00 -0.00 0.00 0.00 28.75 30.17 1uj2 h GLU 121 CO 0.64 0.85 0.42 -1.83 -0.00 0.00 0.00 179.01 179.09 1uj2 s GLU 122 N -4.07 3.27 0.32 1.06 -1.05 -1.26 -5.03 118.70 111.95 1uj2 s GLU 122 Ca -0.14 1.55 0.06 0.00 -0.15 0.00 0.00 54.97 56.30 1uj2 s GLU 122 Cb 0.05 -2.00 -0.06 0.00 -0.44 0.00 0.00 34.13 31.68 1uj2 s GLU 122 CO 0.77 -0.90 -0.03 0.95 0.95 0.00 0.00 175.26 177.01 1uj2 s THR 123 N -1.89 1.70 -0.13 1.83 -4.23 -1.26 -4.01 115.64 107.64 1uj2 s THR 123 Ca 0.71 -2.09 -0.03 0.00 -1.18 0.00 0.00 61.69 59.10 1uj2 s THR 123 Cb -0.23 -2.66 -0.03 0.00 1.34 0.00 0.00 72.50 70.92 1uj2 s THR 123 CO 0.29 -0.16 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.50 1uj2 s VAL 124 N -2.96 4.05 -0.17 2.29 1.01 0.32 -4.88 120.40 120.06 1uj2 s VAL 124 Ca 0.33 -0.31 -0.24 0.00 0.00 0.00 0.00 61.98 61.75 1uj2 s VAL 124 Cb 0.06 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 1uj2 s VAL 124 CO 0.15 0.52 0.78 -0.89 0.00 0.00 0.00 175.10 175.66 1uj2 s THR 125 N -0.02 4.92 -0.37 3.92 2.01 -1.26 -0.65 115.64 124.19 1uj2 s THR 125 Ca 0.02 1.52 -0.06 0.00 0.31 0.00 0.00 61.69 63.49 1uj2 s THR 125 Cb -0.13 -4.09 0.07 0.00 0.01 0.00 0.00 72.50 68.36 1uj2 s THR 125 CO 0.02 0.06 0.16 -0.69 -0.69 0.00 0.00 174.62 173.48 1uj2 s VAL 126 N 1.99 3.67 0.61 3.82 1.01 0.11 -4.99 120.40 126.63 1uj2 s VAL 126 Ca 0.36 -1.47 -0.09 0.00 0.00 0.00 0.00 61.98 60.78 1uj2 s VAL 126 Cb -0.16 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 1uj2 s VAL 126 CO 0.12 -0.39 0.98 -0.31 0.00 0.00 0.00 175.10 175.50 1uj2 s TYR 127 N 1.32 3.48 0.09 5.22 1.51 -1.26 -1.76 117.35 125.95 1uj2 s TYR 127 Ca 0.01 1.03 -0.32 0.00 -1.01 0.00 0.00 57.07 56.78 1uj2 s TYR 127 Cb -0.21 -2.72 -0.11 0.00 -0.11 0.00 0.00 41.96 38.80 1uj2 s TYR 127 CO 0.00 -0.75 1.84 -2.30 -1.11 0.00 0.00 175.55 173.24 1uj2 n PRO 128 N -2.69 2.67 -4.42 -1.71 -0.02 -1.26 -4.96 135.00 122.61 1uj2 n PRO 128 Ca 0.05 0.97 -0.22 0.00 -2.02 0.00 0.00 63.50 62.29 1uj2 n PRO 128 Cb 0.56 -2.86 -0.10 0.00 -0.02 0.00 0.00 33.50 31.07 1uj2 n PRO 128 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uj2 s ALA 129 N 2.97 2.43 0.15 3.55 0.00 -1.26 -4.97 121.76 124.64 1uj2 s ALA 129 Ca 0.84 -1.81 0.01 0.00 0.00 0.00 0.00 51.96 51.00 1uj2 s ALA 129 Cb -0.52 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 1uj2 s ALA 129 CO 0.40 0.15 1.36 -0.44 0.00 0.00 0.00 175.76 177.22 1uj2 h ASP 130 N 2.37 0.31 -3.68 0.00 3.32 -1.56 -3.41 116.42 113.77 1uj2 h ASP 130 Ca -0.39 -0.26 -0.37 0.00 0.02 0.00 0.00 57.03 56.03 1uj2 h ASP 130 Cb 1.24 -0.10 -0.31 0.00 0.22 0.00 0.00 39.33 40.38 1uj2 h ASP 130 CO 0.62 1.06 -0.76 -0.69 -1.72 0.00 0.00 179.24 177.75 1uj2 s VAL 131 N -3.21 0.46 -0.11 -1.35 1.01 -0.50 -0.82 120.40 115.88 1uj2 s VAL 131 Ca -0.03 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1uj2 s VAL 131 Cb 0.10 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 36.04 1uj2 s VAL 131 CO 0.84 0.17 -0.17 -0.69 0.00 0.00 0.00 175.10 175.25 1uj2 s VAL 132 N 0.44 1.64 -0.28 2.92 1.01 -0.37 -1.70 120.40 124.06 1uj2 s VAL 132 Ca -0.05 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 1uj2 s VAL 132 Cb -0.09 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1uj2 s VAL 132 CO -0.00 0.47 0.17 -0.76 0.00 0.00 0.00 175.10 174.98 1uj2 s LEU 133 N 0.84 3.96 -0.23 3.92 1.43 0.10 -0.48 118.68 128.22 1uj2 s LEU 133 Ca -0.09 -0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 52.91 1uj2 s LEU 133 Cb -0.15 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 43.99 1uj2 s LEU 133 CO 0.00 -0.06 -0.07 0.12 0.23 0.00 0.00 176.35 176.57 1uj2 s PHE 134 N 1.73 2.99 -0.02 0.29 5.36 -0.11 -0.05 117.98 128.17 1uj2 s PHE 134 Ca 0.07 -1.36 0.06 0.00 -0.96 0.00 0.00 56.93 54.75 1uj2 s PHE 134 Cb -0.16 -2.06 -0.02 0.00 -0.34 0.00 0.00 43.02 40.45 1uj2 s PHE 134 CO 0.10 -0.68 -0.21 -1.83 -1.46 0.00 0.00 175.22 171.13 1uj2 s GLU 135 N 1.37 1.77 -0.29 10.12 4.04 -0.30 -0.49 118.70 134.92 1uj2 s GLU 135 Ca 0.03 -0.76 -0.35 0.00 0.04 0.00 0.00 54.97 53.93 1uj2 s GLU 135 Cb -0.15 -1.69 0.17 0.00 0.02 0.00 0.00 34.13 32.48 1uj2 s GLU 135 CO -0.05 0.45 1.38 0.20 -1.84 0.00 0.00 175.26 175.39 1uj2 s GLY 136 N -0.46 -0.08 0.62 -3.83 0.00 -0.51 -0.43 107.32 102.63 1uj2 s GLY 136 Ca 0.07 2.28 0.36 0.00 0.00 0.00 0.00 44.72 47.43 1uj2 s GLY 136 CO -0.00 0.82 2.30 0.16 0.00 0.00 0.00 173.10 176.37 1uj2 h ILE 137 N 2.01 0.31 -0.12 0.90 3.07 -1.86 -2.66 117.51 119.16 1uj2 h ILE 137 Ca -0.04 -0.02 -0.14 0.00 1.55 0.00 0.00 64.86 66.21 1uj2 h ILE 137 Cb 1.15 1.01 -0.20 0.00 -0.27 0.00 0.00 36.82 38.51 1uj2 h ILE 137 CO 0.20 0.00 -0.76 0.18 -1.05 0.00 0.00 178.15 176.72 1uj2 n LEU 138 N -3.52 2.35 0.27 0.16 4.77 -1.26 -4.55 117.00 115.22 1uj2 n LEU 138 Ca -0.03 -3.34 0.13 0.00 -0.03 0.00 0.00 56.01 52.74 1uj2 n LEU 138 Cb 0.08 -0.26 0.82 0.00 -2.33 0.00 0.00 43.42 41.72 1uj2 n LEU 138 CO 0.24 1.18 1.11 0.00 -1.33 0.00 0.00 177.39 178.59 1uj2 h ALA 139 N 1.26 1.72 -0.57 -1.18 0.00 -1.76 -1.97 119.26 116.76 1uj2 h ALA 139 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1uj2 h ALA 139 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1uj2 h ALA 139 CO 0.13 -0.03 0.00 1.19 0.00 0.00 0.00 179.25 180.55 1uj2 n PHE 140 N -4.09 0.75 -0.07 0.00 0.99 -1.26 -4.46 117.46 109.32 1uj2 n PHE 140 Ca -0.02 -0.44 -0.11 0.00 -0.00 0.00 0.00 57.45 56.87 1uj2 n PHE 140 Cb 0.11 -0.01 -0.05 0.00 -1.00 0.00 0.00 39.48 38.53 1uj2 n PHE 140 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1uj2 h TYR 141 N 3.75 0.40 -3.36 1.38 3.20 -1.70 -3.43 116.97 117.20 1uj2 h TYR 141 Ca 0.00 -0.07 -0.56 0.00 3.14 0.00 0.00 58.73 61.24 1uj2 h TYR 141 Cb 0.92 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 39.03 1uj2 h TYR 141 CO 0.38 0.54 0.24 0.45 -1.64 0.00 0.00 178.16 178.13 1uj2 s SER 142 N -5.86 7.08 0.20 -2.11 0.15 -1.26 -4.97 113.70 106.93 1uj2 s SER 142 Ca -0.14 1.30 -0.10 0.00 0.70 0.00 0.00 55.95 57.71 1uj2 s SER 142 Cb 0.07 -2.46 0.13 0.00 -1.71 0.00 0.00 66.02 62.05 1uj2 s SER 142 CO 0.73 -0.23 1.81 -0.61 1.20 0.00 0.00 173.24 176.14 1uj2 h GLN 143 N 6.92 1.01 -0.87 5.44 4.15 -1.97 0.11 115.11 129.89 1uj2 h GLN 143 Ca -0.38 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 58.89 1uj2 h GLN 143 Cb 1.19 -0.19 -0.04 0.00 0.21 0.00 0.00 27.48 28.64 1uj2 h GLN 143 CO 0.77 0.76 0.45 0.93 -1.93 0.00 0.00 178.83 179.82 1uj2 h GLU 144 N 0.99 1.24 0.05 1.69 5.08 -1.98 -0.30 114.58 121.35 1uj2 h GLU 144 Ca 0.25 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1uj2 h GLU 144 Cb 0.06 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1uj2 h GLU 144 CO -0.04 0.92 -0.02 0.28 -1.00 0.00 0.00 179.01 179.15 1uj2 h VAL 145 N 1.23 1.22 -0.97 3.13 2.07 -1.84 -3.16 116.25 117.94 1uj2 h VAL 145 Ca 0.30 -0.91 0.19 0.00 0.82 0.00 0.00 66.70 67.11 1uj2 h VAL 145 Cb 0.07 1.82 -0.11 0.00 -1.52 0.00 0.00 31.29 31.55 1uj2 h VAL 145 CO -0.04 0.23 0.56 -0.09 0.02 0.00 0.00 177.57 178.24 1uj2 h ARG 146 N -0.47 0.66 0.00 1.57 2.43 -0.53 0.44 114.38 118.48 1uj2 h ARG 146 Ca -0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1uj2 h ARG 146 Cb 0.42 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1uj2 h ARG 146 CO 0.01 0.44 0.00 -0.25 -1.51 0.00 0.00 179.97 178.66 1uj2 n ASP 147 N -4.83 0.28 0.06 -3.80 8.00 -0.14 -2.25 116.55 113.87 1uj2 n ASP 147 Ca 0.23 0.58 0.12 0.00 0.71 0.00 0.00 54.79 56.43 1uj2 n ASP 147 Cb 0.58 -0.63 0.29 0.00 -0.02 0.00 0.00 41.12 41.33 1uj2 n ASP 147 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1uj2 n LEU 148 N -1.82 0.63 -4.72 0.64 4.77 0.14 -4.83 117.00 111.81 1uj2 n LEU 148 Ca 0.03 0.31 -0.39 0.00 -0.03 0.00 0.00 56.01 55.92 1uj2 n LEU 148 Cb 0.18 -0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 40.96 1uj2 n LEU 148 CO 0.15 -0.05 0.35 -0.36 -1.33 0.00 0.00 177.39 176.14 1uj2 s PHE 149 N -3.11 3.57 -0.35 -1.77 2.99 -0.95 -4.60 117.98 113.75 1uj2 s PHE 149 Ca 0.09 1.18 0.22 0.00 0.00 0.00 0.00 56.93 58.42 1uj2 s PHE 149 Cb 0.14 -2.74 0.20 0.00 0.00 0.00 0.00 43.02 40.62 1uj2 s PHE 149 CO 0.67 0.12 1.39 1.96 -0.00 0.00 0.00 175.22 179.36 1uj2 h GLN 150 N 6.68 0.00 -3.30 0.44 7.50 -1.14 -3.45 115.11 121.84 1uj2 h GLN 150 Ca -0.41 0.00 -0.19 0.00 0.50 0.00 0.00 58.65 58.55 1uj2 h GLN 150 Cb 1.19 0.00 -0.27 0.00 0.05 0.00 0.00 27.48 28.46 1uj2 h GLN 150 CO 0.75 0.03 -0.52 1.41 -1.50 0.00 0.00 178.83 179.01 1uj2 s MET 151 N -3.24 0.20 -0.10 1.46 1.75 -1.15 -5.05 119.30 113.17 1uj2 s MET 151 Ca 0.04 0.26 0.01 0.00 -1.25 0.00 0.00 55.69 54.75 1uj2 s MET 151 Cb 0.07 0.08 0.02 0.00 2.84 0.00 0.00 34.83 37.83 1uj2 s MET 151 CO 0.72 -0.03 -0.13 0.15 -0.65 0.00 0.00 175.02 175.07 1uj2 s LYS 152 N 0.18 2.00 -0.03 4.11 1.02 -1.26 -0.78 119.74 124.97 1uj2 s LYS 152 Ca -0.01 -0.48 0.06 0.00 0.02 0.00 0.00 55.97 55.56 1uj2 s LYS 152 Cb -0.02 -1.74 -0.02 0.00 -0.52 0.00 0.00 37.83 35.53 1uj2 s LYS 152 CO -0.00 -0.08 -0.21 -0.51 -0.92 0.00 0.00 175.35 173.63 1uj2 s LEU 153 N 1.04 2.38 -0.13 3.17 1.43 0.10 -0.32 118.68 126.34 1uj2 s LEU 153 Ca -0.06 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1uj2 s LEU 153 Cb -0.15 -1.44 0.02 0.00 0.03 0.00 0.00 46.19 44.65 1uj2 s LEU 153 CO -0.02 0.33 -0.16 0.12 0.23 0.00 0.00 176.35 176.85 1uj2 s PHE 154 N -0.68 2.16 -0.41 0.29 5.36 -0.61 -1.12 117.98 122.97 1uj2 s PHE 154 Ca 0.11 -1.10 -0.21 0.00 -0.96 0.00 0.00 56.93 54.76 1uj2 s PHE 154 Cb -0.10 -1.55 0.02 0.00 -0.34 0.00 0.00 43.02 41.04 1uj2 s PHE 154 CO -0.00 -0.57 0.68 0.08 -1.46 0.00 0.00 175.22 173.96 1uj2 s VAL 155 N 1.12 4.80 -0.37 3.12 1.01 0.23 -0.69 120.40 129.62 1uj2 s VAL 155 Ca -0.03 0.40 -0.12 0.00 0.00 0.00 0.00 61.98 62.23 1uj2 s VAL 155 Cb -0.14 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.06 1uj2 s VAL 155 CO -0.05 -0.52 0.23 -0.62 0.00 0.00 0.00 175.10 174.14 1uj2 s ASP 156 N 1.95 5.86 -0.03 3.32 2.15 -0.44 -4.25 116.67 125.24 1uj2 s ASP 156 Ca 0.26 -0.82 0.01 0.00 0.43 0.00 0.00 52.55 52.43 1uj2 s ASP 156 Cb -0.14 -2.08 0.01 0.00 -0.30 0.00 0.00 42.92 40.42 1uj2 s ASP 156 CO 0.18 -0.36 -0.05 -0.89 -0.17 0.00 0.00 175.17 173.88 1uj2 s THR 157 N 1.62 0.52 0.30 1.71 2.01 -1.26 -1.30 115.64 119.25 1uj2 s THR 157 Ca 0.04 -0.18 -0.27 0.00 0.31 0.00 0.00 61.69 61.58 1uj2 s THR 157 Cb -0.19 -0.51 -0.14 0.00 0.01 0.00 0.00 72.50 71.68 1uj2 s THR 157 CO 0.08 0.19 0.99 0.47 -0.69 0.00 0.00 174.62 175.66 1uj2 n ASP 158 N 3.62 1.18 -0.24 3.53 10.43 -1.26 -4.73 116.55 129.08 1uj2 n ASP 158 Ca -0.21 1.16 0.02 0.00 2.57 0.00 0.00 54.79 58.33 1uj2 n ASP 158 Cb 0.53 -1.28 0.15 0.00 1.84 0.00 0.00 41.12 42.35 1uj2 n ASP 158 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1uj2 h ALA 159 N 1.89 0.98 -0.48 2.24 0.00 -1.98 0.09 119.26 121.99 1uj2 h ALA 159 Ca -0.40 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 1uj2 h ALA 159 Cb 1.34 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1uj2 h ALA 159 CO 0.60 -0.10 -0.23 0.38 0.00 0.00 0.00 179.25 179.90 1uj2 h ASP 160 N 0.54 1.03 -0.66 0.00 2.03 -1.99 -0.27 116.42 117.10 1uj2 h ASP 160 Ca 0.36 -0.40 0.01 0.00 -0.73 0.00 0.00 57.03 56.27 1uj2 h ASP 160 Cb 0.43 -0.28 -0.03 0.00 -0.83 0.00 0.00 39.33 38.62 1uj2 h ASP 160 CO -0.31 1.20 0.43 0.74 -1.03 0.00 0.00 179.24 180.28 1uj2 h THR 161 N 0.86 1.17 -0.62 1.15 2.02 -1.76 -1.62 112.91 114.12 1uj2 h THR 161 Ca 0.11 -0.31 -0.08 0.00 0.77 0.00 0.00 66.41 66.90 1uj2 h THR 161 Cb 0.81 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1uj2 h THR 161 CO 0.07 0.16 0.09 0.03 0.37 0.00 0.00 175.52 176.24 1uj2 h ARG 162 N 0.89 1.01 -0.72 6.66 3.08 -0.66 -1.98 114.38 122.68 1uj2 h ARG 162 Ca 0.24 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 1uj2 h ARG 162 Cb -0.10 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 1uj2 h ARG 162 CO -0.05 0.94 0.29 1.25 -1.07 0.00 0.00 179.97 181.33 1uj2 h LEU 163 N 0.95 0.99 -0.14 3.04 5.85 -0.64 0.12 115.31 125.48 1uj2 h LEU 163 Ca 0.19 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.75 1uj2 h LEU 163 Cb 0.43 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1uj2 h LEU 163 CO 0.01 0.89 0.03 -1.28 -0.34 0.00 0.00 178.44 177.76 1uj2 h SER 164 N 1.03 0.02 -0.77 1.25 0.87 -0.96 -0.44 113.55 114.55 1uj2 h SER 164 Ca 0.24 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 1uj2 h SER 164 Cb 0.21 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.16 1uj2 h SER 164 CO -0.02 0.03 0.43 0.03 -0.53 0.00 0.00 176.83 176.77 1uj2 h ARG 165 N 0.09 1.06 -0.37 2.24 3.08 -0.94 -2.84 114.38 116.70 1uj2 h ARG 165 Ca 0.06 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 1uj2 h ARG 165 Cb 0.05 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 1uj2 h ARG 165 CO -0.08 0.78 -0.18 -0.09 -1.07 0.00 0.00 179.97 179.33 1uj2 h ARG 166 N 1.06 0.70 0.18 0.04 2.43 -0.31 -1.41 114.38 117.08 1uj2 h ARG 166 Ca 0.27 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1uj2 h ARG 166 Cb 0.02 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1uj2 h ARG 166 CO -0.05 0.84 -0.09 0.28 -1.51 0.00 0.00 179.97 179.45 1uj2 h VAL 167 N 0.63 0.84 -0.57 0.20 2.07 -0.88 0.18 116.25 118.71 1uj2 h VAL 167 Ca 0.10 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 1uj2 h VAL 167 Cb 0.66 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1uj2 h VAL 167 CO 0.05 0.01 0.21 -0.07 0.02 0.00 0.00 177.57 177.79 1uj2 h LEU 168 N -0.26 0.80 -0.30 2.57 3.38 -1.44 -2.33 115.31 117.73 1uj2 h LEU 168 Ca -0.02 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 1uj2 h LEU 168 Cb 0.20 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1uj2 h LEU 168 CO 0.04 0.77 -0.03 -0.09 0.09 0.00 0.00 178.44 179.22 1uj2 h ARG 169 N 0.79 0.55 -0.41 1.13 2.43 -1.10 -2.15 114.38 115.62 1uj2 h ARG 169 Ca 0.19 -0.19 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 1uj2 h ARG 169 Cb 0.23 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1uj2 h ARG 169 CO -0.01 0.72 -0.04 -0.44 -1.51 0.00 0.00 179.97 178.69 1uj2 h ASP 170 N 0.33 0.66 -0.29 -3.80 5.19 -0.61 0.51 116.42 118.40 1uj2 h ASP 170 Ca 0.08 -0.16 -0.11 0.00 -0.62 0.00 0.00 57.03 56.22 1uj2 h ASP 170 Cb 0.49 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 1uj2 h ASP 170 CO 0.02 0.75 -0.24 0.40 -3.12 0.00 0.00 179.24 177.05 1uj2 h ILE 171 N 0.64 1.30 0.00 0.35 2.04 -1.39 -1.79 117.51 118.66 1uj2 h ILE 171 Ca 0.12 -1.40 -0.12 0.00 1.00 0.00 0.00 64.86 64.46 1uj2 h ILE 171 Cb 0.46 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 1uj2 h ILE 171 CO 0.02 0.45 -0.83 0.77 0.00 0.00 0.00 178.15 178.56 1uj2 h SER 172 N 0.41 0.00 0.00 1.72 4.64 -1.15 -3.38 113.55 115.80 1uj2 h SER 172 Ca 0.05 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.34 1uj2 h SER 172 Cb 0.80 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 1uj2 h SER 172 CO 0.06 0.52 -1.15 -0.62 -0.87 0.00 0.00 176.83 174.76 1uj2 n GLU 173 N -3.09 2.65 -0.36 4.77 1.02 0.18 -4.78 120.64 121.03 1uj2 n GLU 173 Ca -0.02 -0.01 0.08 0.00 -0.02 0.00 0.00 57.16 57.19 1uj2 n GLU 173 Cb 0.77 -1.06 0.22 0.00 -0.02 0.00 0.00 31.44 31.35 1uj2 n GLU 173 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1uj2 n ARG 174 N -1.96 2.82 -3.45 3.49 1.74 -0.73 -4.78 116.66 113.79 1uj2 n ARG 174 Ca -0.03 -2.63 -0.25 0.00 -0.77 0.00 0.00 57.85 54.16 1uj2 n ARG 174 Cb 0.44 -1.69 0.03 0.00 -1.02 0.00 0.00 32.46 30.22 1uj2 n ARG 174 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uj2 n GLY 175 N -0.36 -0.51 3.86 -0.13 0.00 -1.08 -4.12 105.19 102.85 1uj2 n GLY 175 Ca 0.19 0.15 -0.21 0.00 0.00 0.00 0.00 46.02 46.14 1uj2 n GLY 175 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uj2 s ARG 176 N -6.14 2.97 0.08 1.61 1.81 -0.85 -5.02 118.95 113.41 1uj2 s ARG 176 Ca 0.47 -1.06 0.05 0.00 -1.72 0.00 0.00 55.73 53.48 1uj2 s ARG 176 Cb -0.23 -2.60 -0.04 0.00 -0.45 0.00 0.00 34.95 31.63 1uj2 s ARG 176 CO 0.58 0.33 -0.03 0.16 -0.68 0.00 0.00 175.30 175.66 1uj2 s ASP 177 N -3.90 4.84 0.16 0.23 -4.77 -1.26 -4.18 116.67 107.78 1uj2 s ASP 177 Ca 0.35 -0.21 -0.31 0.00 -3.30 0.00 0.00 52.55 49.08 1uj2 s ASP 177 Cb -0.08 -1.11 -0.06 0.00 -1.09 0.00 0.00 42.92 40.58 1uj2 s ASP 177 CO 0.26 0.19 1.54 0.25 0.70 0.00 0.00 175.17 178.11 1uj2 h LEU 178 N 3.64 -2.10 -0.43 2.11 5.85 -1.99 -1.82 115.31 120.57 1uj2 h LEU 178 Ca -0.48 0.32 0.09 0.00 0.84 0.00 0.00 57.88 58.64 1uj2 h LEU 178 Cb 1.17 0.93 -0.08 0.00 0.37 0.00 0.00 40.66 43.04 1uj2 h LEU 178 CO 0.57 -0.25 -0.08 -0.33 -0.34 0.00 0.00 178.44 178.00 1uj2 h GLU 179 N -0.05 0.02 -0.71 1.25 3.07 -2.00 -1.60 114.58 114.56 1uj2 h GLU 179 Ca 0.16 -0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.96 1uj2 h GLU 179 Cb 0.44 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.31 1uj2 h GLU 179 CO -0.90 0.01 0.22 0.37 -1.40 0.00 0.00 179.01 177.31 1uj2 h GLN 180 N 0.02 1.10 0.04 2.33 4.15 -1.83 -1.18 115.11 119.75 1uj2 h GLN 180 Ca 0.21 -0.23 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 1uj2 h GLN 180 Cb 0.32 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.84 1uj2 h GLN 180 CO -0.43 0.94 -0.03 0.82 -1.93 0.00 0.00 178.83 178.21 1uj2 h ILE 181 N 1.06 0.94 -0.55 2.39 2.04 -0.65 0.74 117.51 123.48 1uj2 h ILE 181 Ca 0.23 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.03 1uj2 h ILE 181 Cb 0.30 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1uj2 h ILE 181 CO -0.01 0.00 0.10 -0.07 0.00 0.00 0.00 178.15 178.17 1uj2 h LEU 182 N -0.07 0.81 -0.19 1.44 3.38 -1.17 0.50 115.31 120.01 1uj2 h LEU 182 Ca -0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1uj2 h LEU 182 Cb 0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1uj2 h LEU 182 CO 0.00 0.82 0.01 -1.28 0.09 0.00 0.00 178.44 178.08 1uj2 h SER 183 N 0.82 0.32 -0.66 -0.43 0.87 -0.93 -1.46 113.55 112.09 1uj2 h SER 183 Ca 0.17 -0.30 -0.07 0.00 -1.23 0.00 0.00 61.79 60.37 1uj2 h SER 183 Cb 0.35 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 1uj2 h SER 183 CO 0.01 0.54 0.14 -0.61 -0.53 0.00 0.00 176.83 176.38 1uj2 h GLN 184 N 0.10 1.07 0.58 2.24 4.15 -0.67 -1.50 115.11 121.08 1uj2 h GLN 184 Ca 0.05 -0.27 -0.03 0.00 0.77 0.00 0.00 58.65 59.18 1uj2 h GLN 184 Cb 0.37 -0.13 0.01 0.00 0.21 0.00 0.00 27.48 27.93 1uj2 h GLN 184 CO 0.01 0.97 -0.28 -0.92 -1.93 0.00 0.00 178.83 176.68 1uj2 h TYR 185 N 0.99 -0.72 -0.58 3.99 3.20 -0.77 0.33 116.97 123.41 1uj2 h TYR 185 Ca 0.20 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 1uj2 h TYR 185 Cb 0.39 0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.88 1uj2 h TYR 185 CO 0.03 -0.45 0.23 0.82 -1.64 0.00 0.00 178.16 177.15 1uj2 h ILE 186 N -0.79 1.23 -0.14 1.81 1.08 -1.26 0.71 117.51 120.15 1uj2 h ILE 186 Ca -0.08 -0.71 -0.13 0.00 -0.39 0.00 0.00 64.86 63.55 1uj2 h ILE 186 Cb 0.60 0.61 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 1uj2 h ILE 186 CO 0.13 0.27 -0.43 0.74 -0.69 0.00 0.00 178.15 178.18 1uj2 h THR 187 N 0.80 1.36 0.00 -0.27 2.02 -1.24 -3.41 112.91 112.17 1uj2 h THR 187 Ca 0.19 -1.72 -0.07 0.00 0.77 0.00 0.00 66.41 65.59 1uj2 h THR 187 Cb 0.20 2.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 1uj2 h THR 187 CO -0.02 0.52 -1.24 0.49 0.37 0.00 0.00 175.52 175.64 1uj2 n PHE 188 N -4.27 0.00 0.18 3.16 3.01 0.08 -4.71 117.46 114.90 1uj2 n PHE 188 Ca -0.07 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.24 1uj2 n PHE 188 Cb 0.55 -0.16 -0.08 0.00 -0.01 0.00 0.00 39.48 39.79 1uj2 n PHE 188 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1uj2 h VAL 189 N -0.11 0.73 0.35 -4.37 2.07 -1.11 -1.56 116.25 112.24 1uj2 h VAL 189 Ca -0.11 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1uj2 h VAL 189 Cb 1.11 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1uj2 h VAL 189 CO -0.05 0.02 -0.17 0.50 0.02 0.00 0.00 177.57 177.89 1uj2 h LYS 190 N -0.42 -0.45 -0.62 1.57 3.64 -1.11 -0.64 116.57 118.55 1uj2 h LYS 190 Ca -0.04 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1uj2 h LYS 190 Cb 0.32 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 1uj2 h LYS 190 CO 0.06 -0.29 0.39 -1.35 -2.27 0.00 0.00 179.45 175.99 1uj2 h PRO 191 N -0.48 0.76 -0.57 1.90 0.11 -1.78 -2.24 132.00 129.69 1uj2 h PRO 191 Ca -0.05 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.98 1uj2 h PRO 191 Cb 0.36 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.28 1uj2 h PRO 191 CO 0.08 0.50 0.20 0.00 -0.21 0.00 0.00 178.00 178.57 1uj2 h ALA 192 N 1.26 1.28 -0.40 -0.75 0.00 -1.16 0.25 119.26 119.73 1uj2 h ALA 192 Ca 0.24 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1uj2 h ALA 192 Cb -0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1uj2 h ALA 192 CO -0.08 0.52 0.17 0.35 0.00 0.00 0.00 179.25 180.21 1uj2 h PHE 193 N 0.83 0.61 -0.42 0.00 3.04 -0.69 0.24 116.94 120.54 1uj2 h PHE 193 Ca 0.19 -0.04 -0.14 0.00 3.98 0.00 0.00 57.97 61.96 1uj2 h PHE 193 Cb 0.21 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.53 1uj2 h PHE 193 CO 0.01 0.53 -0.28 0.93 -2.02 0.00 0.00 178.31 177.49 1uj2 h GLU 194 N 0.51 0.91 0.19 1.11 5.08 -1.02 0.37 114.58 121.73 1uj2 h GLU 194 Ca 0.13 -0.42 -0.30 0.00 -1.00 0.00 0.00 59.36 57.78 1uj2 h GLU 194 Cb 0.18 -0.02 0.03 0.00 0.50 0.00 0.00 28.75 29.44 1uj2 h GLU 194 CO -0.01 1.07 -1.30 1.49 -1.00 0.00 0.00 179.01 179.26 1uj2 h GLU 195 N 0.78 0.54 0.00 2.33 4.81 -0.81 -3.40 114.58 118.82 1uj2 h GLU 195 Ca 0.09 -0.84 -0.19 0.00 -0.13 0.00 0.00 59.36 58.29 1uj2 h GLU 195 Cb 0.85 0.30 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 1uj2 h GLU 195 CO 0.07 1.39 -1.73 1.19 -0.73 0.00 0.00 179.01 179.20 1uj2 n PHE 196 N -3.81 0.00 -0.05 0.92 3.01 0.83 -4.73 117.46 113.62 1uj2 n PHE 196 Ca -0.15 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.29 1uj2 n PHE 196 Cb 1.02 -0.50 -0.01 0.00 -0.01 0.00 0.00 39.48 39.98 1uj2 n PHE 196 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1uj2 h LEU 198 N -1.00 -0.01 -0.88 0.00 6.46 -0.52 0.17 115.31 119.53 1uj2 h LEU 198 Ca -0.00 0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 1uj2 h LEU 198 Cb 0.13 0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.33 1uj2 h LEU 198 CO -0.00 -0.17 0.00 -2.65 -0.62 0.00 0.00 178.44 174.99 1uj2 n PRO 199 N -5.24 0.14 0.03 5.25 -0.02 -1.26 -1.86 135.00 132.04 1uj2 n PRO 199 Ca 0.22 0.51 0.12 0.00 -2.02 0.00 0.00 63.50 62.33 1uj2 n PRO 199 Cb 0.71 -1.84 0.21 0.00 -0.02 0.00 0.00 33.50 32.56 1uj2 n PRO 199 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1uj2 n THR 200 N -2.11 0.18 -0.23 3.45 -2.24 0.59 -4.04 114.28 109.87 1uj2 n THR 200 Ca 0.00 -0.14 0.19 0.00 -2.27 0.00 0.00 64.05 61.83 1uj2 n THR 200 Cb 0.12 0.04 0.52 0.00 -2.10 0.00 0.00 70.33 68.90 1uj2 n THR 200 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1uj2 h LYS 201 N 0.00 0.39 0.00 -0.78 3.64 -1.41 0.13 116.57 118.54 1uj2 h LYS 201 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1uj2 h LYS 201 Cb 0.63 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1uj2 h LYS 201 CO 0.00 0.26 0.00 1.57 -2.27 0.00 0.00 179.45 179.01 1uj2 h LYS 202 N 0.40 0.00 0.00 1.90 2.10 -1.78 -1.61 116.57 117.57 1uj2 h LYS 202 Ca 0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.11 1uj2 h LYS 202 Cb 1.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1uj2 h LYS 202 CO -0.17 0.00 -0.26 0.66 -2.00 0.00 0.00 179.45 177.68 1uj2 n TYR 203 N -2.74 0.30 -2.23 0.07 0.53 0.04 -4.90 117.16 108.24 1uj2 n TYR 203 Ca -0.02 0.09 -0.37 0.00 -1.02 0.00 0.00 57.90 56.58 1uj2 n TYR 203 Cb 0.07 -0.56 -0.00 0.00 -1.03 0.00 0.00 39.34 37.82 1uj2 n TYR 203 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1uj2 s ALA 204 N -3.05 2.88 -0.08 -0.72 0.00 -0.61 -4.84 121.76 115.33 1uj2 s ALA 204 Ca 0.11 0.93 -0.01 0.00 0.00 0.00 0.00 51.96 52.98 1uj2 s ALA 204 Cb 0.16 -3.39 -0.26 0.00 0.00 0.00 0.00 23.12 19.64 1uj2 s ALA 204 CO 0.63 -0.74 0.51 -0.44 0.00 0.00 0.00 175.76 175.71 1uj2 h ASP 205 N 1.75 0.31 -3.80 0.00 3.32 -1.01 -3.47 116.42 113.53 1uj2 h ASP 205 Ca -0.50 -0.66 -0.40 0.00 0.02 0.00 0.00 57.03 55.49 1uj2 h ASP 205 Cb 1.26 -0.10 -0.31 0.00 0.22 0.00 0.00 39.33 40.40 1uj2 h ASP 205 CO 0.59 1.59 -0.78 -0.69 -1.72 0.00 0.00 179.24 178.23 1uj2 s VAL 206 N -2.58 0.67 -0.21 -1.35 1.01 -1.05 -5.06 120.40 111.84 1uj2 s VAL 206 Ca -0.16 -0.30 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 1uj2 s VAL 206 Cb 0.07 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 1uj2 s VAL 206 CO 0.80 0.22 0.04 -0.63 0.00 0.00 0.00 175.10 175.52 1uj2 s ILE 207 N 0.22 4.32 -0.37 2.22 -1.09 -1.26 -1.58 121.20 123.66 1uj2 s ILE 207 Ca -0.03 -0.19 -0.07 0.00 -2.23 0.00 0.00 60.65 58.13 1uj2 s ILE 207 Cb -0.08 -2.97 0.06 0.00 -1.58 0.00 0.00 42.46 37.89 1uj2 s ILE 207 CO 0.00 0.41 0.16 -0.63 -1.23 0.00 0.00 174.94 173.66 1uj2 s ILE 208 N 0.96 3.94 0.61 2.92 1.01 0.13 -4.96 121.20 125.81 1uj2 s ILE 208 Ca 0.03 -1.26 -0.14 0.00 0.00 0.00 0.00 60.65 59.28 1uj2 s ILE 208 Cb -0.14 -3.31 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 1uj2 s ILE 208 CO 0.02 -0.32 1.04 -2.16 0.00 0.00 0.00 174.94 173.53 1uj2 s PRO 209 N 1.40 3.37 0.00 2.79 0.04 -1.26 -1.32 135.00 140.02 1uj2 s PRO 209 Ca 0.01 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1uj2 s PRO 209 Cb -0.21 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1uj2 s PRO 209 CO 0.02 -0.76 0.00 0.54 0.04 0.00 0.00 177.00 176.85 1uj2 n ARG 210 N -2.31 0.00 0.00 4.56 1.74 -0.42 -4.70 116.66 115.53 1uj2 n ARG 210 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1uj2 n ARG 210 Cb 0.53 -0.12 0.00 0.00 -1.02 0.00 0.00 32.46 31.86 1uj2 n ARG 210 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uj2 n GLY 211 N 0.00 0.10 0.19 -0.13 0.00 -1.26 -4.77 105.19 99.32 1uj2 n GLY 211 Ca 0.00 -1.89 0.14 0.00 0.00 0.00 0.00 46.02 44.27 1uj2 n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uj2 h ALA 212 N 0.00 1.00 -0.00 4.61 0.00 -1.87 -2.14 119.26 120.86 1uj2 h ALA 212 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uj2 h ALA 212 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1uj2 h ALA 212 CO 0.00 0.00 -0.11 -0.25 0.00 0.00 0.00 179.25 178.89 1uj2 n ASP 213 N -2.49 0.27 -4.40 0.00 10.43 -1.26 -4.49 116.55 114.61 1uj2 n ASP 213 Ca -0.00 -0.21 -0.43 0.00 2.57 0.00 0.00 54.79 56.71 1uj2 n ASP 213 Cb 0.15 -0.17 0.00 0.00 1.84 0.00 0.00 41.12 42.94 1uj2 n ASP 213 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1uj2 n ASN 214 N -1.21 4.96 -0.03 -2.24 2.85 -0.81 -4.83 115.26 113.95 1uj2 n ASN 214 Ca 0.12 -2.95 0.01 0.00 -0.11 0.00 0.00 54.58 51.65 1uj2 n ASN 214 Cb 0.29 -1.66 0.32 0.00 1.24 0.00 0.00 39.78 39.97 1uj2 n ASN 214 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1uj2 h LEU 215 N 10.93 0.55 -0.52 1.20 3.38 -1.87 -1.72 115.31 127.27 1uj2 h LEU 215 Ca 0.41 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 58.20 1uj2 h LEU 215 Cb 0.83 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1uj2 h LEU 215 CO 1.44 0.52 -0.11 0.58 0.09 0.00 0.00 178.44 180.96 1uj2 h VAL 216 N 0.60 1.27 -0.18 1.22 2.07 -1.98 0.22 116.25 119.46 1uj2 h VAL 216 Ca 0.14 -1.26 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 1uj2 h VAL 216 Cb 0.17 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1uj2 h VAL 216 CO -0.01 0.44 -0.07 0.00 0.02 0.00 0.00 177.57 177.95 1uj2 h ALA 217 N 0.91 0.26 -0.38 1.67 0.00 -1.92 -2.19 119.26 117.61 1uj2 h ALA 217 Ca 0.13 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1uj2 h ALA 217 Cb 0.67 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1uj2 h ALA 217 CO 0.05 0.06 0.18 0.82 0.00 0.00 0.00 179.25 180.35 1uj2 h ILE 218 N 0.07 0.96 -0.07 0.00 2.04 -1.20 -1.83 117.51 117.48 1uj2 h ILE 218 Ca 0.04 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1uj2 h ILE 218 Cb 0.53 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1uj2 h ILE 218 CO 0.02 0.07 -0.05 0.78 0.00 0.00 0.00 178.15 178.97 1uj2 h ASN 219 N 0.37 0.09 -0.61 1.72 -0.26 -0.90 -0.05 115.58 115.94 1uj2 h ASN 219 Ca 0.17 -0.01 -0.08 0.00 -0.56 0.00 0.00 56.30 55.82 1uj2 h ASN 219 Cb 0.09 -0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.30 1uj2 h ASN 219 CO -0.13 0.16 0.08 0.25 -1.06 0.00 0.00 177.43 176.73 1uj2 h LEU 220 N 0.10 0.99 -0.30 1.61 5.85 -0.68 0.06 115.31 122.94 1uj2 h LEU 220 Ca 0.02 -0.27 -0.20 0.00 0.84 0.00 0.00 57.88 58.27 1uj2 h LEU 220 Cb 0.16 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1uj2 h LEU 220 CO 0.01 1.01 -0.69 0.40 -0.34 0.00 0.00 178.44 178.83 1uj2 h ILE 221 N 0.93 1.30 -0.16 4.05 1.08 -0.91 -2.13 117.51 121.67 1uj2 h ILE 221 Ca 0.18 -1.93 -0.00 0.00 -0.39 0.00 0.00 64.86 62.72 1uj2 h ILE 221 Cb 0.46 1.90 -0.01 0.00 -3.07 0.00 0.00 36.82 36.10 1uj2 h ILE 221 CO 0.02 0.61 0.08 0.58 -0.69 0.00 0.00 178.15 178.75 1uj2 h VAL 222 N 0.50 1.10 -0.81 1.67 2.07 -0.84 -0.31 116.25 119.63 1uj2 h VAL 222 Ca -0.02 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.24 1uj2 h VAL 222 Cb 1.29 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 32.02 1uj2 h VAL 222 CO 0.14 0.10 0.52 -0.61 0.02 0.00 0.00 177.57 177.73 1uj2 h GLN 223 N 0.15 1.00 -0.60 1.57 -0.00 -0.99 0.12 115.11 116.36 1uj2 h GLN 223 Ca 0.06 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.65 58.62 1uj2 h GLN 223 Cb 0.08 -0.23 -0.03 0.00 0.00 0.00 0.00 27.48 27.31 1uj2 h GLN 223 CO -0.01 0.66 0.29 1.25 0.00 0.00 0.00 178.83 181.03 1uj2 h HIS 224 N 1.03 0.86 -0.45 3.99 2.76 -1.01 -2.27 115.15 120.05 1uj2 h HIS 224 Ca 0.32 -0.04 -0.11 0.00 -2.20 0.00 0.00 60.37 58.34 1uj2 h HIS 224 Cb -0.03 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 28.65 1uj2 h HIS 224 CO -0.02 0.65 -0.14 0.82 -1.30 0.00 0.00 177.93 177.94 1uj2 h ILE 225 N 0.81 1.27 -0.54 6.26 2.04 -0.36 -2.73 117.51 124.26 1uj2 h ILE 225 Ca 0.21 -1.27 0.04 0.00 1.00 0.00 0.00 64.86 64.84 1uj2 h ILE 225 Cb 0.11 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1uj2 h ILE 225 CO -0.03 0.43 0.36 -0.61 0.00 0.00 0.00 178.15 178.31 1uj2 h GLN 226 N 0.73 0.55 -0.40 2.37 5.75 -0.58 -0.07 115.11 123.47 1uj2 h GLN 226 Ca 0.11 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.55 1uj2 h GLN 226 Cb 0.69 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.10 1uj2 h GLN 226 CO 0.05 0.37 0.13 -0.44 -2.65 0.00 0.00 178.83 176.29 1uj2 h ASP 227 N 0.57 0.57 -0.84 -0.69 5.19 -1.14 -0.43 116.42 119.65 1uj2 h ASP 227 Ca 0.23 -0.20 -0.03 0.00 -0.62 0.00 0.00 57.03 56.41 1uj2 h ASP 227 Cb 0.18 -0.15 -0.04 0.00 0.18 0.00 0.00 39.33 39.50 1uj2 h ASP 227 CO -0.06 0.61 0.42 0.40 -3.12 0.00 0.00 179.24 177.49 1uj2 h ILE 228 N 0.50 1.26 -0.23 0.35 2.04 -0.89 0.13 117.51 120.67 1uj2 h ILE 228 Ca 0.13 -0.71 -0.09 0.00 1.00 0.00 0.00 64.86 65.19 1uj2 h ILE 228 Cb 0.24 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1uj2 h ILE 228 CO -0.01 0.31 -0.23 -0.07 0.00 0.00 0.00 178.15 178.15 1uj2 h LEU 229 N 1.20 0.41 0.00 1.44 3.38 -0.70 -2.66 115.31 118.39 1uj2 h LEU 229 Ca 0.29 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1uj2 h LEU 229 Cb 0.10 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1uj2 h LEU 229 CO -0.04 0.65 -0.28 0.78 0.09 0.00 0.00 178.44 179.65 1uj2 h ASN 230 N 0.37 0.00 0.00 -0.43 2.35 -0.48 -3.51 115.58 113.88 1uj2 h ASN 230 Ca 0.06 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1uj2 h ASN 230 Cb 0.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1uj2 h ASN 230 CO 0.04 0.01 0.00 0.61 -1.65 0.00 0.00 177.43 176.44