#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x23 s SER -4 N 0.00 6.42 0.00 1.61 1.04 -1.26 -4.94 113.70 116.57 1x23 s SER -4 Ca 0.00 0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.98 1x23 s SER -4 Cb 0.00 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 64.04 1x23 s SER -4 CO 0.00 -0.10 0.53 -2.65 0.98 0.00 0.00 173.24 172.00 1x23 n PRO -3 N -0.71 0.00 -0.03 4.02 -0.02 -1.26 -2.34 135.00 134.66 1x23 n PRO -3 Ca -0.03 0.05 0.08 0.00 -2.02 0.00 0.00 63.50 61.58 1x23 n PRO -3 Cb 0.54 -1.50 0.09 0.00 -0.02 0.00 0.00 33.50 32.60 1x23 n PRO -3 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1x23 n GLU -2 N -1.03 1.53 0.00 -0.52 4.71 -1.26 -4.63 120.64 119.44 1x23 n GLU -2 Ca 0.00 -1.61 -0.12 0.00 -0.01 0.00 0.00 57.16 55.42 1x23 n GLU -2 Cb 0.00 -1.33 -0.07 0.00 -1.01 0.00 0.00 31.44 29.02 1x23 n GLU -2 CO 0.00 0.00 0.00 0.74 0.09 0.00 0.00 177.13 177.96 1x23 h PHE -1 N 3.29 0.07 -0.54 -0.32 0.05 -1.85 0.31 116.94 117.95 1x23 h PHE -1 Ca 0.00 -0.01 0.11 0.00 3.82 0.00 0.00 57.97 61.89 1x23 h PHE -1 Cb 0.72 -0.02 -0.11 0.00 2.00 0.00 0.00 35.95 38.55 1x23 h PHE -1 CO 0.04 0.23 -0.20 1.98 -0.18 0.00 0.00 178.31 180.19 1x23 h MET 1 N -0.12 -0.06 -0.25 1.51 4.05 -1.86 -1.82 114.93 116.37 1x23 h MET 1 Ca 0.01 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.35 1x23 h MET 1 Cb 0.19 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 1x23 h MET 1 CO -0.00 -0.04 -0.19 0.00 0.23 0.00 0.00 176.91 176.91 1x23 h ALA 2 N 1.37 0.36 -0.49 0.39 0.00 -1.62 -2.70 119.26 116.58 1x23 h ALA 2 Ca 0.26 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1x23 h ALA 2 Cb 0.46 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1x23 h ALA 2 CO -0.59 0.29 0.10 1.25 0.00 0.00 0.00 179.25 180.30 1x23 h LEU 3 N 0.29 0.70 -0.63 0.00 5.85 -0.79 -0.05 115.31 120.68 1x23 h LEU 3 Ca 0.05 -0.12 -0.14 0.00 0.84 0.00 0.00 57.88 58.50 1x23 h LEU 3 Cb 0.72 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1x23 h LEU 3 CO 0.05 0.70 -0.45 0.11 -0.34 0.00 0.00 178.44 178.52 1x23 h LYS 4 N 0.72 0.56 -0.14 1.25 1.57 -1.27 -1.50 116.57 117.76 1x23 h LYS 4 Ca 0.16 -0.30 -0.21 0.00 -1.87 0.00 0.00 60.65 58.42 1x23 h LYS 4 Cb 0.29 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.63 1x23 h LYS 4 CO 0.00 0.89 -0.76 -0.09 -0.57 0.00 0.00 179.45 178.93 1x23 h ARG 5 N 0.45 0.71 -0.43 3.15 9.65 -1.13 -1.38 114.38 125.39 1x23 h ARG 5 Ca 0.03 -0.57 -0.03 0.00 -1.10 0.00 0.00 59.98 58.31 1x23 h ARG 5 Cb 0.96 0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 29.64 1x23 h ARG 5 CO 0.09 1.18 0.14 0.82 2.80 0.00 0.00 179.97 185.00 1x23 h ILE 6 N 0.49 1.22 -0.64 1.20 2.04 -0.96 -0.46 117.51 120.40 1x23 h ILE 6 Ca -0.04 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 1x23 h ILE 6 Cb 1.37 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 1x23 h ILE 6 CO 0.15 0.25 0.26 0.78 0.00 0.00 0.00 178.15 179.60 1x23 h ASN 7 N 0.56 0.84 -0.13 1.72 4.21 -1.23 -0.06 115.58 121.48 1x23 h ASN 7 Ca 0.14 -0.11 -0.00 0.00 1.21 0.00 0.00 56.30 57.54 1x23 h ASN 7 Cb 0.25 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.23 1x23 h ASN 7 CO -0.01 0.74 0.06 0.50 -1.29 0.00 0.00 177.43 177.44 1x23 h LYS 8 N 0.91 0.19 -0.92 0.81 3.64 -0.84 -1.97 116.57 118.38 1x23 h LYS 8 Ca 0.22 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1x23 h LYS 8 Cb 0.16 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 1x23 h LYS 8 CO -0.02 0.25 0.53 0.93 -2.27 0.00 0.00 179.45 178.87 1x23 h GLU 9 N 0.08 1.27 -0.86 1.90 5.08 -0.72 -0.36 114.58 120.96 1x23 h GLU 9 Ca 0.04 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1x23 h GLU 9 Cb 0.12 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 1x23 h GLU 9 CO -0.01 0.90 0.57 1.25 -1.00 0.00 0.00 179.01 180.73 1x23 h LEU 10 N 1.28 0.98 -0.70 1.33 5.85 -0.86 -0.12 115.31 123.08 1x23 h LEU 10 Ca 0.33 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.92 1x23 h LEU 10 Cb -0.02 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 1x23 h LEU 10 CO -0.06 0.71 -0.09 0.28 -0.34 0.00 0.00 178.44 178.94 1x23 h SER 11 N 1.16 0.91 -0.42 1.25 0.02 -0.71 -0.95 113.55 114.81 1x23 h SER 11 Ca 0.32 -0.28 -0.09 0.00 -0.84 0.00 0.00 61.79 60.90 1x23 h SER 11 Cb -0.12 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.16 1x23 h SER 11 CO -0.07 1.02 -0.09 0.44 -1.14 0.00 0.00 176.83 176.98 1x23 h ASP 12 N 0.82 0.80 -0.79 3.07 3.45 -0.83 -0.65 116.42 122.30 1x23 h ASP 12 Ca 0.14 -0.36 0.04 0.00 0.43 0.00 0.00 57.03 57.28 1x23 h ASP 12 Cb 0.62 -0.22 -0.05 0.00 -0.56 0.00 0.00 39.33 39.11 1x23 h ASP 12 CO 0.04 0.97 0.49 -0.07 -1.57 0.00 0.00 179.24 179.11 1x23 h LEU 13 N 0.62 0.80 -0.61 1.55 3.38 -0.99 0.29 115.31 120.35 1x23 h LEU 13 Ca 0.11 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 1x23 h LEU 13 Cb 0.62 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1x23 h LEU 13 CO 0.04 0.53 -0.18 0.00 0.09 0.00 0.00 178.44 178.92 1x23 h ALA 14 N 1.35 0.80 0.01 1.53 0.00 -0.91 -2.19 119.26 119.85 1x23 h ALA 14 Ca 0.33 -0.37 -0.26 0.00 0.00 0.00 0.00 54.91 54.61 1x23 h ALA 14 Cb 0.08 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 17.72 1x23 h ALA 14 CO -0.14 0.65 -1.03 -0.09 0.00 0.00 0.00 179.25 178.64 1x23 h ARG 15 N 0.80 0.62 -2.54 0.00 2.43 -0.84 -3.39 114.38 111.46 1x23 h ARG 15 Ca 0.11 -0.68 -0.59 0.00 -0.81 0.00 0.00 59.98 58.01 1x23 h ARG 15 Cb 0.73 0.20 -0.39 0.00 -0.42 0.00 0.00 29.97 30.09 1x23 h ARG 15 CO 0.06 1.28 -0.89 0.16 -1.51 0.00 0.00 179.97 179.07 1x23 s ASP 16 N -7.25 2.40 0.40 -3.80 1.47 0.10 -5.09 116.67 104.90 1x23 s ASP 16 Ca -0.09 -2.70 -0.27 0.00 1.18 0.00 0.00 52.55 50.67 1x23 s ASP 16 Cb 0.07 -0.53 -0.10 0.00 -0.34 0.00 0.00 42.92 42.03 1x23 s ASP 16 CO 0.91 -0.23 1.42 -2.16 0.68 0.00 0.00 175.17 175.79 1x23 s PRO 17 N 0.43 3.98 0.25 2.11 0.04 -0.83 -4.51 135.00 136.47 1x23 s PRO 17 Ca 0.25 2.42 -0.30 0.00 0.04 0.00 0.00 61.00 63.41 1x23 s PRO 17 Cb -0.10 -2.85 -0.09 0.00 0.04 0.00 0.00 34.50 31.50 1x23 s PRO 17 CO -0.09 -0.58 1.04 -1.25 0.04 0.00 0.00 177.00 176.15 1x23 s PRO 18 N -2.20 4.72 0.42 0.56 0.04 -1.26 -4.96 135.00 132.32 1x23 s PRO 18 Ca 0.56 1.66 -0.27 0.00 0.04 0.00 0.00 61.00 62.99 1x23 s PRO 18 Cb -0.44 -3.24 -0.10 0.00 0.04 0.00 0.00 34.50 30.77 1x23 s PRO 18 CO 0.58 0.31 1.46 0.00 0.04 0.00 0.00 177.00 179.39 1x23 s ALA 19 N -1.01 3.40 0.00 8.56 0.00 -1.26 -2.21 121.76 129.24 1x23 s ALA 19 Ca 0.44 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.93 1x23 s ALA 19 Cb -0.29 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.22 1x23 s ALA 19 CO 0.37 -1.15 0.00 1.04 0.00 0.00 0.00 175.76 176.01 1x23 n GLN 20 N 0.09 0.00 -4.33 0.00 1.13 -1.26 -4.96 117.38 108.06 1x23 n GLN 20 Ca 0.03 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.85 1x23 n GLN 20 Cb 0.40 -0.98 -0.12 0.00 0.11 0.00 0.00 30.24 29.66 1x23 n GLN 20 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1x23 s SER 22 N -2.19 1.51 -0.17 0.00 1.04 -0.72 -4.54 113.70 108.64 1x23 s SER 22 Ca 0.11 -1.02 -0.29 0.00 0.48 0.00 0.00 55.95 55.23 1x23 s SER 22 Cb -0.09 0.04 0.11 0.00 0.10 0.00 0.00 66.02 66.18 1x23 s SER 22 CO 0.06 -0.40 0.94 0.00 0.98 0.00 0.00 173.24 174.82 1x23 s ALA 23 N -3.46 -1.91 0.00 5.32 0.00 -1.26 -0.65 121.76 119.80 1x23 s ALA 23 Ca 0.15 1.62 0.00 0.00 0.00 0.00 0.00 51.96 53.73 1x23 s ALA 23 Cb 0.04 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.41 1x23 s ALA 23 CO -0.01 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.85 1x23 n GLY 24 N 1.12 0.58 3.76 0.00 0.00 -0.58 -5.00 105.19 105.07 1x23 n GLY 24 Ca -0.12 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 1x23 n GLY 24 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x23 n PRO 25 N -0.44 2.70 0.05 1.61 -0.04 -1.26 -1.42 135.00 136.20 1x23 n PRO 25 Ca 0.00 0.96 -0.10 0.00 -0.04 0.00 0.00 63.50 64.31 1x23 n PRO 25 Cb 0.00 -2.72 -0.13 0.00 -0.04 0.00 0.00 33.50 30.61 1x23 n PRO 25 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1x23 h VAL 26 N 3.19 1.41 0.00 0.52 3.04 -1.78 -3.45 116.25 119.18 1x23 h VAL 26 Ca -0.48 -3.11 0.00 0.00 -1.01 0.00 0.00 66.70 62.09 1x23 h VAL 26 Cb 1.23 2.76 0.00 0.00 -2.01 0.00 0.00 31.29 33.27 1x23 h VAL 26 CO 0.73 0.84 0.00 0.61 -1.01 0.00 0.00 177.57 178.74 1x23 n GLY 27 N 1.48 5.37 0.10 3.17 0.00 -1.26 -5.02 105.19 109.03 1x23 n GLY 27 Ca -0.08 -1.05 0.14 0.00 0.00 0.00 0.00 46.02 45.04 1x23 n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x23 n ASP 28 N 0.00 0.45 -4.52 1.61 10.43 -1.26 -4.78 116.55 118.47 1x23 n ASP 28 Ca 0.00 -0.47 -0.43 0.00 2.57 0.00 0.00 54.79 56.46 1x23 n ASP 28 Cb 0.00 -0.08 -0.07 0.00 1.84 0.00 0.00 41.12 42.81 1x23 n ASP 28 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1x23 s ASP 29 N -2.55 6.32 0.17 -2.24 -1.08 -1.26 -4.92 116.67 111.10 1x23 s ASP 29 Ca 0.26 -0.29 0.21 0.00 -0.52 0.00 0.00 52.55 52.21 1x23 s ASP 29 Cb 0.20 -2.31 0.87 0.00 -1.46 0.00 0.00 42.92 40.23 1x23 s ASP 29 CO 0.50 -0.72 1.66 0.23 0.52 0.00 0.00 175.17 177.36 1x23 n MET 30 N 6.13 0.14 0.00 4.34 2.81 -1.26 -2.55 117.12 126.73 1x23 n MET 30 Ca -0.02 0.33 0.14 0.00 -1.81 0.00 0.00 57.70 56.34 1x23 n MET 30 Cb 0.48 -1.74 0.60 0.00 -0.71 0.00 0.00 33.22 31.85 1x23 n MET 30 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1x23 n PHE 31 N -1.99 0.00 -3.87 2.03 3.72 -1.26 -4.74 117.46 111.35 1x23 n PHE 31 Ca 0.03 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.15 1x23 n PHE 31 Cb 0.24 -0.04 -0.16 0.00 -0.94 0.00 0.00 39.48 38.57 1x23 n PHE 31 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1x23 s HIS 32 N -2.13 1.68 0.26 1.38 2.46 -1.06 -0.85 115.29 117.04 1x23 s HIS 32 Ca 0.37 -1.14 0.10 0.00 0.47 0.00 0.00 55.06 54.86 1x23 s HIS 32 Cb 0.21 -1.30 -0.04 0.00 -0.13 0.00 0.00 32.58 31.32 1x23 s HIS 32 CO 0.38 -0.64 -0.06 -1.58 -2.47 0.00 0.00 174.74 170.38 1x23 s TRP 33 N 1.64 2.59 0.15 3.88 0.52 0.71 -2.83 118.94 125.60 1x23 s TRP 33 Ca -0.01 -0.25 0.08 0.00 0.02 0.00 0.00 56.10 55.94 1x23 s TRP 33 Cb -0.16 -1.15 -0.04 0.00 -1.15 0.00 0.00 33.47 30.97 1x23 s TRP 33 CO -0.07 0.64 -0.06 -1.14 0.02 0.00 0.00 176.95 176.33 1x23 s GLN 34 N -3.57 2.20 0.10 4.98 0.74 -0.51 -1.01 119.66 122.59 1x23 s GLN 34 Ca 0.31 -1.13 0.03 0.00 0.05 0.00 0.00 55.36 54.61 1x23 s GLN 34 Cb -0.06 -2.28 -0.04 0.00 1.10 0.00 0.00 33.01 31.73 1x23 s GLN 34 CO 0.18 0.47 -0.08 0.00 -0.55 0.00 0.00 175.29 175.31 1x23 s ALA 35 N -1.54 1.04 0.12 1.58 0.00 -0.46 -1.52 121.76 120.97 1x23 s ALA 35 Ca 0.25 -1.28 0.08 0.00 0.00 0.00 0.00 51.96 51.00 1x23 s ALA 35 Cb -0.10 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1x23 s ALA 35 CO 0.16 -0.15 -0.19 0.95 0.00 0.00 0.00 175.76 176.53 1x23 s THR 36 N -3.09 1.64 -0.07 0.00 -4.23 0.18 -1.04 115.64 109.02 1x23 s THR 36 Ca 0.09 -1.62 -0.01 0.00 -1.18 0.00 0.00 61.69 58.97 1x23 s THR 36 Cb 0.02 -1.57 0.03 0.00 1.34 0.00 0.00 72.50 72.31 1x23 s THR 36 CO -0.02 -0.17 -0.00 -0.63 -0.54 0.00 0.00 174.62 173.25 1x23 s ILE 37 N -1.47 0.41 0.03 2.99 1.01 -0.09 -1.76 121.20 122.32 1x23 s ILE 37 Ca 0.08 0.09 -0.27 0.00 0.00 0.00 0.00 60.65 60.55 1x23 s ILE 37 Cb -0.09 -0.55 -0.05 0.00 0.01 0.00 0.00 42.46 41.78 1x23 s ILE 37 CO 0.04 0.26 0.85 -0.32 0.00 0.00 0.00 174.94 175.78 1x23 s MET 38 N 1.89 4.55 0.16 2.79 -2.45 0.37 -0.87 119.30 125.74 1x23 s MET 38 Ca 0.04 1.21 -0.34 0.00 -1.25 0.00 0.00 55.69 55.36 1x23 s MET 38 Cb -0.12 -3.40 -0.13 0.00 1.25 0.00 0.00 34.83 32.42 1x23 s MET 38 CO -0.05 0.15 1.62 0.41 1.05 0.00 0.00 175.02 178.20 1x23 n GLY 39 N 2.59 1.21 3.67 2.11 0.00 0.09 -4.89 105.19 109.97 1x23 n GLY 39 Ca 0.01 0.66 -0.44 0.00 0.00 0.00 0.00 46.02 46.25 1x23 n GLY 39 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1x23 n PRO 40 N 3.68 2.03 -0.33 1.61 -0.02 -1.26 -3.67 135.00 137.04 1x23 n PRO 40 Ca 0.17 0.72 0.25 0.00 -2.02 0.00 0.00 63.50 62.62 1x23 n PRO 40 Cb 0.30 -2.35 0.55 0.00 -0.02 0.00 0.00 33.50 31.98 1x23 n PRO 40 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1x23 h ASN 41 N 3.78 0.37 1.62 2.55 -0.26 -1.94 -1.26 115.58 120.45 1x23 h ASN 41 Ca -0.45 0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.37 1x23 h ASN 41 Cb 1.28 0.02 0.00 0.00 -1.06 0.00 0.00 38.32 38.56 1x23 h ASN 41 CO 0.72 0.05 -0.17 0.44 -1.06 0.00 0.00 177.43 177.41 1x23 h ASP 42 N 0.32 0.00 -3.11 5.81 3.45 -2.00 -3.45 116.42 117.44 1x23 h ASP 42 Ca 0.60 -0.02 -0.47 0.00 0.43 0.00 0.00 57.03 57.58 1x23 h ASP 42 Cb 1.67 0.00 0.04 0.00 -0.56 0.00 0.00 39.33 40.48 1x23 h ASP 42 CO -0.27 0.01 0.00 -0.94 -1.57 0.00 0.00 179.24 176.48 1x23 s SER 43 N -5.43 5.83 0.15 6.45 1.04 -0.47 -4.96 113.70 116.30 1x23 s SER 43 Ca 0.07 0.49 0.15 0.00 0.48 0.00 0.00 55.95 57.14 1x23 s SER 43 Cb 0.08 -1.68 0.69 0.00 0.10 0.00 0.00 66.02 65.21 1x23 s SER 43 CO 0.67 -0.78 1.45 -0.81 0.98 0.00 0.00 173.24 174.75 1x23 n PRO 44 N -2.24 0.08 -0.01 4.02 -0.04 -1.26 -2.17 135.00 133.38 1x23 n PRO 44 Ca 0.02 0.46 0.14 0.00 -0.04 0.00 0.00 63.50 64.08 1x23 n PRO 44 Cb 0.57 -1.71 0.57 0.00 -0.04 0.00 0.00 33.50 32.89 1x23 n PRO 44 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1x23 n TYR 45 N -1.88 0.03 -1.76 0.54 4.02 -1.26 -3.71 117.16 113.14 1x23 n TYR 45 Ca 0.01 -0.02 -0.41 0.00 -0.01 0.00 0.00 57.90 57.47 1x23 n TYR 45 Cb 0.10 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.42 1x23 n TYR 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1x23 n GLN 46 N -0.01 2.57 0.00 -0.72 10.64 -0.92 -2.01 117.38 126.93 1x23 n GLN 46 Ca 0.19 0.90 0.00 0.00 -1.83 0.00 0.00 57.00 56.26 1x23 n GLN 46 Cb 0.30 -2.61 0.00 0.00 -0.86 0.00 0.00 30.24 27.08 1x23 n GLN 46 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1x23 n GLY 47 N 0.54 2.76 3.77 2.61 0.00 -1.24 -4.92 105.19 108.71 1x23 n GLY 47 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1x23 n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x23 s GLY 48 N -1.31 2.94 -0.32 -0.02 0.00 -0.85 -4.78 107.32 102.98 1x23 s GLY 48 Ca 0.00 1.46 -0.07 0.00 0.00 0.00 0.00 44.72 46.11 1x23 s GLY 48 CO 0.00 2.10 0.10 0.14 0.00 0.00 0.00 173.10 175.44 1x23 s VAL 49 N -1.17 3.95 -0.22 1.40 1.01 -0.54 -0.73 120.40 124.10 1x23 s VAL 49 Ca 0.56 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 1x23 s VAL 49 Cb -0.44 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 1x23 s VAL 49 CO 0.58 -0.05 0.04 -0.36 0.00 0.00 0.00 175.10 175.31 1x23 s PHE 50 N 1.47 3.10 0.10 5.22 0.08 -0.05 -4.72 117.98 123.18 1x23 s PHE 50 Ca 0.01 -0.32 -0.08 0.00 0.12 0.00 0.00 56.93 56.66 1x23 s PHE 50 Cb -0.18 -2.15 -0.06 0.00 -0.57 0.00 0.00 43.02 40.06 1x23 s PHE 50 CO 0.03 -0.20 0.38 -0.06 -0.10 0.00 0.00 175.22 175.27 1x23 s PHE 51 N 1.12 3.54 0.13 0.36 0.40 -1.26 -0.92 117.98 121.35 1x23 s PHE 51 Ca 0.04 0.70 0.04 0.00 -0.60 0.00 0.00 56.93 57.10 1x23 s PHE 51 Cb -0.14 -2.10 -0.04 0.00 0.51 0.00 0.00 43.02 41.24 1x23 s PHE 51 CO 0.03 0.49 -0.09 -0.51 0.70 0.00 0.00 175.22 175.84 1x23 s LEU 52 N -2.14 2.50 -0.03 -0.37 1.02 -0.21 -0.12 118.68 119.34 1x23 s LEU 52 Ca 0.35 -0.97 0.03 0.00 0.02 0.00 0.00 54.13 53.56 1x23 s LEU 52 Cb -0.13 -0.27 -0.03 0.00 0.02 0.00 0.00 46.19 45.78 1x23 s LEU 52 CO 0.20 -0.35 -0.09 0.28 0.02 0.00 0.00 176.35 176.40 1x23 s THR 53 N -3.24 3.48 -0.06 5.49 -1.32 -0.18 -1.36 115.64 118.45 1x23 s THR 53 Ca 0.13 -0.70 0.01 0.00 -1.21 0.00 0.00 61.69 59.92 1x23 s THR 53 Cb 0.02 -2.45 0.02 0.00 -1.51 0.00 0.00 72.50 68.58 1x23 s THR 53 CO -0.01 0.50 -0.06 -0.63 -2.21 0.00 0.00 174.62 172.20 1x23 s ILE 54 N -0.88 0.72 -0.13 5.08 1.01 -0.18 -2.04 121.20 124.78 1x23 s ILE 54 Ca 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.58 1x23 s ILE 54 Cb -0.11 -0.72 0.02 0.00 0.01 0.00 0.00 42.46 41.66 1x23 s ILE 54 CO 0.04 0.27 -0.13 -1.00 0.00 0.00 0.00 174.94 174.12 1x23 s HIS 55 N 0.97 1.97 -0.06 3.97 3.76 -0.40 -0.21 115.29 125.29 1x23 s HIS 55 Ca -0.10 -1.05 -0.16 0.00 -0.15 0.00 0.00 55.06 53.60 1x23 s HIS 55 Cb -0.14 -1.47 -0.05 0.00 1.11 0.00 0.00 32.58 32.02 1x23 s HIS 55 CO 0.00 -0.59 0.44 -0.06 -0.85 0.00 0.00 174.74 173.68 1x23 s PHE 56 N 1.44 3.62 0.64 1.40 0.08 -0.03 -1.09 117.98 124.04 1x23 s PHE 56 Ca 0.03 0.93 -0.13 0.00 0.12 0.00 0.00 56.93 57.88 1x23 s PHE 56 Cb -0.13 -2.42 -0.02 0.00 -0.57 0.00 0.00 43.02 39.88 1x23 s PHE 56 CO -0.08 0.39 1.05 -1.25 -0.10 0.00 0.00 175.22 175.23 1x23 s PRO 57 N -0.19 3.25 0.57 0.24 0.04 -1.26 -4.93 135.00 132.72 1x23 s PRO 57 Ca 0.24 0.98 0.35 0.00 0.04 0.00 0.00 61.00 62.61 1x23 s PRO 57 Cb -0.16 -2.03 1.66 0.00 0.04 0.00 0.00 34.50 34.01 1x23 s PRO 57 CO 0.11 -0.85 2.10 1.79 0.04 0.00 0.00 177.00 180.20 1x23 h THR 58 N -0.19 0.16 -0.49 1.26 1.35 -1.97 -2.22 112.91 110.80 1x23 h THR 58 Ca -0.45 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 1x23 h THR 58 Cb 1.21 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 1x23 h THR 58 CO 0.58 0.04 0.00 0.47 -0.25 0.00 0.00 175.52 176.36 1x23 n ASP 59 N -3.23 2.94 -4.60 5.36 8.00 -1.26 -4.46 116.55 119.30 1x23 n ASP 59 Ca -0.01 -1.97 -0.46 0.00 0.71 0.00 0.00 54.79 53.06 1x23 n ASP 59 Cb 0.23 -0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 40.98 1x23 n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x23 n TYR 60 N 1.12 1.48 -0.33 1.24 9.36 -0.84 -0.05 117.16 129.14 1x23 n TYR 60 Ca 0.19 0.64 -0.00 0.00 3.32 0.00 0.00 57.90 62.04 1x23 n TYR 60 Cb 0.48 -2.31 0.24 0.00 -0.63 0.00 0.00 39.34 37.12 1x23 n TYR 60 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1x23 n PRO 61 N 1.41 3.23 -0.11 2.98 -0.04 -1.26 -3.64 135.00 137.57 1x23 n PRO 61 Ca 0.12 -2.10 0.12 0.00 -0.04 0.00 0.00 63.50 61.60 1x23 n PRO 61 Cb 0.29 -1.97 0.16 0.00 -0.04 0.00 0.00 33.50 31.94 1x23 n PRO 61 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1x23 n PHE 62 N 0.19 0.29 -4.23 0.54 3.01 0.93 -3.35 117.46 114.84 1x23 n PHE 62 Ca 0.24 -0.15 -0.17 0.00 1.01 0.00 0.00 57.45 58.38 1x23 n PHE 62 Cb 0.98 -0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 40.32 1x23 n PHE 62 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1x23 s LYS 63 N -1.67 0.70 0.69 -1.08 -0.14 -1.22 -4.98 119.74 112.04 1x23 s LYS 63 Ca 0.34 -0.63 -0.14 0.00 -1.36 0.00 0.00 55.97 54.17 1x23 s LYS 63 Cb 0.21 -0.64 0.01 0.00 -1.68 0.00 0.00 37.83 35.74 1x23 s LYS 63 CO 0.30 0.15 1.11 -1.25 -0.76 0.00 0.00 175.35 174.90 1x23 s PRO 64 N -1.04 2.66 0.70 -1.68 0.04 -1.26 -4.41 135.00 130.01 1x23 s PRO 64 Ca -0.02 1.34 -0.11 0.00 0.04 0.00 0.00 61.00 62.25 1x23 s PRO 64 Cb -0.07 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.54 1x23 s PRO 64 CO 0.01 -1.35 1.06 -1.25 0.04 0.00 0.00 177.00 175.51 1x23 s PRO 65 N -4.29 2.87 -0.24 0.56 0.04 -1.26 -4.53 135.00 128.15 1x23 s PRO 65 Ca 0.66 1.00 -0.15 0.00 0.04 0.00 0.00 61.00 62.54 1x23 s PRO 65 Cb -0.20 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1x23 s PRO 65 CO 0.45 -1.16 0.38 0.21 0.04 0.00 0.00 177.00 176.93 1x23 s LYS 66 N -4.97 4.09 -0.07 4.56 2.20 -0.25 -4.94 119.74 120.35 1x23 s LYS 66 Ca 0.59 0.11 0.03 0.00 -0.36 0.00 0.00 55.97 56.34 1x23 s LYS 66 Cb -0.15 -3.60 0.01 0.00 -1.51 0.00 0.00 37.83 32.58 1x23 s LYS 66 CO 0.54 -0.16 -0.16 0.08 -0.36 0.00 0.00 175.35 175.28 1x23 s VAL 67 N 1.72 1.44 -0.07 4.02 1.01 -1.26 -1.27 120.40 125.98 1x23 s VAL 67 Ca 0.17 -0.67 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 1x23 s VAL 67 Cb -0.15 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 34.97 1x23 s VAL 67 CO 0.09 0.42 0.21 0.00 0.00 0.00 0.00 175.10 175.82 1x23 s ALA 68 N 0.47 -0.52 0.44 5.51 0.00 -0.87 -4.41 121.76 122.39 1x23 s ALA 68 Ca -0.14 0.49 -0.24 0.00 0.00 0.00 0.00 51.96 52.07 1x23 s ALA 68 Cb -0.16 -0.27 -0.08 0.00 0.00 0.00 0.00 23.12 22.62 1x23 s ALA 68 CO 0.05 -0.12 1.21 -0.06 0.00 0.00 0.00 175.76 176.83 1x23 s PHE 69 N -0.17 2.86 -0.41 0.00 0.08 0.21 -1.01 117.98 119.54 1x23 s PHE 69 Ca -0.03 1.51 0.04 0.00 0.12 0.00 0.00 56.93 58.57 1x23 s PHE 69 Cb -0.03 -3.47 0.06 0.00 -0.57 0.00 0.00 43.02 39.02 1x23 s PHE 69 CO 0.01 -1.68 0.82 0.25 -0.10 0.00 0.00 175.22 174.52 1x23 n THR 70 N -0.30 0.42 -4.23 0.64 -2.24 0.83 -4.34 114.28 105.04 1x23 n THR 70 Ca 0.06 -0.71 -0.34 0.00 -2.27 0.00 0.00 64.05 60.79 1x23 n THR 70 Cb 0.47 0.84 -0.10 0.00 -2.10 0.00 0.00 70.33 69.43 1x23 n THR 70 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1x23 s THR 71 N -0.60 4.41 0.39 4.28 2.01 -1.16 -4.89 115.64 120.08 1x23 s THR 71 Ca 0.06 -0.18 -0.27 0.00 0.31 0.00 0.00 61.69 61.60 1x23 s THR 71 Cb 0.04 -2.93 -0.10 0.00 0.01 0.00 0.00 72.50 69.52 1x23 s THR 71 CO 0.05 0.53 1.38 -0.13 -0.69 0.00 0.00 174.62 175.76 1x23 s ARG 72 N -0.11 4.02 -0.19 4.92 0.52 -1.26 -4.87 118.95 121.98 1x23 s ARG 72 Ca 0.05 2.34 -0.18 0.00 -0.52 0.00 0.00 55.73 57.42 1x23 s ARG 72 Cb -0.12 -2.86 0.05 0.00 0.52 0.00 0.00 34.95 32.54 1x23 s ARG 72 CO 0.02 -0.51 0.52 -1.50 0.02 0.00 0.00 175.30 173.84 1x23 s ILE 73 N -1.18 0.00 -0.38 1.52 2.07 -1.26 -4.71 121.20 117.25 1x23 s ILE 73 Ca 0.55 -0.01 -0.13 0.00 -1.41 0.00 0.00 60.65 59.65 1x23 s ILE 73 Cb -0.42 -0.73 0.02 0.00 0.13 0.00 0.00 42.46 41.46 1x23 s ILE 73 CO 0.55 -0.01 0.25 -0.47 -1.91 0.00 0.00 174.94 173.36 1x23 s TYR 74 N 0.19 3.24 -0.29 3.50 5.04 -1.26 -4.92 117.35 122.86 1x23 s TYR 74 Ca -0.01 -0.69 -0.22 0.00 -2.44 0.00 0.00 57.07 53.71 1x23 s TYR 74 Cb -0.04 -2.51 0.14 0.00 0.35 0.00 0.00 41.96 39.90 1x23 s TYR 74 CO 0.01 -0.58 1.06 -1.58 -1.34 0.00 0.00 175.55 173.12 1x23 s HIS 75 N 1.63 -0.46 -0.95 4.97 2.46 -1.26 -4.80 115.29 116.89 1x23 s HIS 75 Ca 0.04 1.04 0.13 0.00 0.47 0.00 0.00 55.06 56.74 1x23 s HIS 75 Cb -0.19 0.37 0.57 0.00 -0.13 0.00 0.00 32.58 33.20 1x23 s HIS 75 CO 0.09 -0.22 1.42 -0.35 -2.47 0.00 0.00 174.74 173.20 1x23 n PRO 76 N 2.62 0.02 -0.24 2.88 -0.04 -1.26 -2.62 135.00 136.36 1x23 n PRO 76 Ca -0.14 0.30 0.06 0.00 -0.04 0.00 0.00 63.50 63.68 1x23 n PRO 76 Cb 0.56 -1.53 0.17 0.00 -0.04 0.00 0.00 33.50 32.66 1x23 n PRO 76 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1x23 n ASN 77 N -1.57 3.13 -3.77 3.54 3.02 -1.26 0.26 115.26 118.60 1x23 n ASN 77 Ca 0.03 -2.35 -0.23 0.00 -0.03 0.00 0.00 54.58 51.99 1x23 n ASN 77 Cb 0.15 -0.32 -0.17 0.00 -0.61 0.00 0.00 39.78 38.83 1x23 n ASN 77 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1x23 s ILE 78 N -1.63 0.41 0.90 2.41 1.01 -1.08 -4.30 121.20 118.92 1x23 s ILE 78 Ca 0.27 0.06 -0.12 0.00 0.00 0.00 0.00 60.65 60.87 1x23 s ILE 78 Cb 0.18 -0.59 0.13 0.00 0.01 0.00 0.00 42.46 42.20 1x23 s ILE 78 CO 0.12 0.24 1.09 0.20 0.00 0.00 0.00 174.94 176.59 1x23 s ASN 79 N 1.95 3.49 0.59 3.58 0.02 -0.56 -4.56 114.94 119.45 1x23 s ASN 79 Ca 0.05 1.42 0.30 0.00 -1.02 0.00 0.00 52.86 53.60 1x23 s ASN 79 Cb -0.13 -2.10 1.82 0.00 0.02 0.00 0.00 41.25 40.87 1x23 s ASN 79 CO -0.06 -2.62 2.25 0.77 0.02 0.00 0.00 177.10 177.47 1x23 h SER 80 N -1.54 0.00 -0.60 -1.22 4.64 -1.91 -0.96 113.55 111.97 1x23 h SER 80 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1x23 h SER 80 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1x23 h SER 80 CO 0.56 0.01 0.00 -0.46 -0.87 0.00 0.00 176.83 176.06 1x23 n ASN 81 N -3.82 3.38 0.00 4.97 6.94 -1.26 -4.94 115.26 120.53 1x23 n ASN 81 Ca -0.03 -1.99 0.00 0.00 -0.02 0.00 0.00 54.58 52.54 1x23 n ASN 81 Cb 0.09 -0.40 0.00 0.00 -2.36 0.00 0.00 39.78 37.11 1x23 n ASN 81 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1x23 n GLY 82 N 1.51 1.04 3.74 4.83 0.00 -0.36 -4.80 105.19 111.15 1x23 n GLY 82 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1x23 n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x23 s SER 83 N -2.77 4.83 0.24 1.61 1.04 -1.26 -0.62 113.70 116.76 1x23 s SER 83 Ca 0.00 2.33 0.05 0.00 0.48 0.00 0.00 55.95 58.82 1x23 s SER 83 Cb 0.00 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.48 1x23 s SER 83 CO 0.00 -1.84 -0.05 0.27 0.98 0.00 0.00 173.24 172.61 1x23 s ILE 84 N -1.81 1.34 -0.50 -1.02 -4.36 -1.26 -1.49 121.20 112.09 1x23 s ILE 84 Ca 0.75 -2.09 0.04 0.00 -0.26 0.00 0.00 60.65 59.09 1x23 s ILE 84 Cb -0.29 -2.30 0.16 0.00 1.25 0.00 0.00 42.46 41.28 1x23 s ILE 84 CO 0.38 -0.39 0.35 0.00 0.24 0.00 0.00 174.94 175.53 1x23 s LEU 86 N -0.25 4.06 0.33 0.00 1.43 -1.26 -4.99 118.68 118.01 1x23 s LEU 86 Ca 0.26 0.24 0.04 0.00 -1.03 0.00 0.00 54.13 53.64 1x23 s LEU 86 Cb -0.06 -2.01 0.66 0.00 0.03 0.00 0.00 46.19 44.81 1x23 s LEU 86 CO -0.13 0.26 1.90 0.44 0.23 0.00 0.00 176.35 179.05 1x23 h ASP 87 N 6.07 0.78 0.72 2.29 3.32 -1.98 -1.34 116.42 126.28 1x23 h ASP 87 Ca -0.44 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1x23 h ASP 87 Cb 1.18 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.59 1x23 h ASP 87 CO 0.67 0.46 0.00 2.30 -1.72 0.00 0.00 179.24 180.96 1x23 n ILE 88 N -4.52 0.82 0.88 0.35 -5.35 -1.26 -1.18 119.36 109.10 1x23 n ILE 88 Ca 0.15 0.25 0.10 0.00 -0.27 0.00 0.00 62.75 62.98 1x23 n ILE 88 Cb 0.30 -1.19 0.05 0.00 -1.74 0.00 0.00 39.64 37.06 1x23 n ILE 88 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1x23 n LEU 89 N -2.28 2.40 0.00 7.28 4.77 -0.55 -2.60 117.00 126.02 1x23 n LEU 89 Ca 0.02 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 1x23 n LEU 89 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1x23 n LEU 89 CO 0.20 0.42 0.00 0.54 -1.33 0.00 0.00 177.39 177.22 1x23 n ARG 90 N 0.69 0.00 0.01 3.23 1.74 -0.38 -4.86 116.66 117.08 1x23 n ARG 90 Ca 0.11 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.30 1x23 n ARG 90 Cb 0.48 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 32.02 1x23 n ARG 90 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1x23 n SER 91 N 0.00 0.66 -0.65 0.55 3.41 -0.87 -4.45 113.62 112.28 1x23 n SER 91 Ca 0.00 -0.43 0.06 0.00 -0.26 0.00 0.00 58.87 58.24 1x23 n SER 91 Cb 0.00 0.57 0.20 0.00 -0.26 0.00 0.00 64.21 64.73 1x23 n SER 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x23 n GLN 92 N -1.62 2.02 -2.23 4.33 1.13 -0.33 -5.01 117.38 115.68 1x23 n GLN 92 Ca 0.04 -2.88 -0.39 0.00 -1.94 0.00 0.00 57.00 51.83 1x23 n GLN 92 Cb 0.36 -1.70 -0.02 0.00 0.11 0.00 0.00 30.24 28.99 1x23 n GLN 92 CO 0.00 0.00 0.00 -0.46 -1.44 0.00 0.00 177.06 175.16 1x23 s TRP 93 N -2.98 3.06 0.07 1.08 -0.11 -1.07 -4.64 118.94 114.34 1x23 s TRP 93 Ca 0.39 1.51 0.00 0.00 1.22 0.00 0.00 56.10 59.23 1x23 s TRP 93 Cb 0.34 -3.49 -0.04 0.00 -1.50 0.00 0.00 33.47 28.78 1x23 s TRP 93 CO 0.03 -1.50 -0.05 -1.54 -4.62 0.00 0.00 176.95 169.28 1x23 s SER 94 N -0.92 0.74 0.13 5.86 1.04 -1.26 -5.00 113.70 114.29 1x23 s SER 94 Ca 0.54 -0.97 0.09 0.00 0.48 0.00 0.00 55.95 56.10 1x23 s SER 94 Cb -0.34 0.15 0.48 0.00 0.10 0.00 0.00 66.02 66.41 1x23 s SER 94 CO 0.43 -0.52 1.26 -2.65 0.98 0.00 0.00 173.24 172.74 1x23 n PRO 95 N 0.16 0.06 0.21 4.02 -0.02 -1.21 -1.21 135.00 137.00 1x23 n PRO 95 Ca -0.14 0.55 0.09 0.00 -2.02 0.00 0.00 63.50 61.98 1x23 n PRO 95 Cb 0.60 -1.70 0.38 0.00 -0.02 0.00 0.00 33.50 32.77 1x23 n PRO 95 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x23 h ALA 96 N 1.97 0.96 -2.25 3.55 0.00 -1.96 -3.45 119.26 118.09 1x23 h ALA 96 Ca 0.00 -0.23 -0.48 0.00 0.00 0.00 0.00 54.91 54.20 1x23 h ALA 96 Cb 0.02 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 17.80 1x23 h ALA 96 CO 0.00 0.31 0.38 -0.51 0.00 0.00 0.00 179.25 179.43 1x23 s LEU 97 N -6.69 3.54 0.11 0.00 1.43 -0.35 -5.08 118.68 111.65 1x23 s LEU 97 Ca 0.01 1.61 -0.02 0.00 -1.03 0.00 0.00 54.13 54.70 1x23 s LEU 97 Cb 0.09 -4.51 -0.03 0.00 0.03 0.00 0.00 46.19 41.77 1x23 s LEU 97 CO 0.65 -0.77 0.07 0.42 0.23 0.00 0.00 176.35 176.95 1x23 s THR 98 N -2.66 0.13 0.24 5.49 -4.23 -1.26 -4.96 115.64 108.39 1x23 s THR 98 Ca 0.59 -1.77 -0.06 0.00 -1.18 0.00 0.00 61.69 59.27 1x23 s THR 98 Cb -0.12 -1.84 0.21 0.00 1.34 0.00 0.00 72.50 72.10 1x23 s THR 98 CO 0.36 -0.59 1.87 0.40 -0.54 0.00 0.00 174.62 176.11 1x23 h ILE 99 N 2.89 1.09 -0.27 2.99 1.08 -1.97 -0.85 117.51 122.47 1x23 h ILE 99 Ca -0.34 -0.36 0.05 0.00 -0.39 0.00 0.00 64.86 63.82 1x23 h ILE 99 Cb 1.19 -0.04 -0.05 0.00 -3.07 0.00 0.00 36.82 34.85 1x23 h ILE 99 CO 0.59 0.19 -0.03 -1.28 -0.69 0.00 0.00 178.15 176.93 1x23 h SER 100 N 1.04 -0.18 -0.75 1.72 0.87 -1.96 0.41 113.55 114.69 1x23 h SER 100 Ca 0.36 0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.94 1x23 h SER 100 Cb 0.09 0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 1x23 h SER 100 CO -0.15 -0.06 0.28 0.11 -0.53 0.00 0.00 176.83 176.49 1x23 h LYS 101 N 0.04 1.15 -0.46 2.24 1.57 -1.86 -1.18 116.57 118.07 1x23 h LYS 101 Ca 0.13 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1x23 h LYS 101 Cb 0.18 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1x23 h LYS 101 CO -0.25 0.95 0.26 0.28 -0.57 0.00 0.00 179.45 180.12 1x23 h VAL 102 N 1.12 1.16 -0.67 0.50 2.07 -0.60 -1.16 116.25 118.66 1x23 h VAL 102 Ca 0.25 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 1x23 h VAL 102 Cb 0.25 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1x23 h VAL 102 CO -0.02 0.17 0.18 -0.07 0.02 0.00 0.00 177.57 177.86 1x23 h LEU 103 N 0.61 0.99 -0.95 2.57 3.38 -0.70 -1.21 115.31 120.00 1x23 h LEU 103 Ca 0.16 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1x23 h LEU 103 Cb 0.04 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1x23 h LEU 103 CO -0.03 0.95 -0.09 -0.07 0.09 0.00 0.00 178.44 179.30 1x23 h LEU 104 N 0.98 0.65 -0.47 1.67 3.38 -1.09 0.13 115.31 120.55 1x23 h LEU 104 Ca 0.21 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1x23 h LEU 104 Cb 0.33 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1x23 h LEU 104 CO -0.00 0.78 0.08 0.28 0.09 0.00 0.00 178.44 179.66 1x23 h SER 105 N 0.61 0.76 -0.65 -0.43 0.02 -0.94 -1.32 113.55 111.60 1x23 h SER 105 Ca 0.11 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 1x23 h SER 105 Cb 0.52 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 1x23 h SER 105 CO 0.03 0.82 0.30 0.40 -1.14 0.00 0.00 176.83 177.25 1x23 h ILE 106 N 0.66 1.22 -0.71 3.27 2.04 -0.79 -1.77 117.51 121.42 1x23 h ILE 106 Ca 0.14 -0.64 0.09 0.00 1.00 0.00 0.00 64.86 65.45 1x23 h ILE 106 Cb 0.39 0.45 -0.07 0.00 -0.74 0.00 0.00 36.82 36.85 1x23 h ILE 106 CO 0.01 0.26 0.36 0.00 0.00 0.00 0.00 178.15 178.78 1x23 h SER 108 N 0.62 1.08 -0.03 0.00 0.87 -0.95 -2.16 113.55 112.99 1x23 h SER 108 Ca 0.35 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.79 1x23 h SER 108 Cb 0.35 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1x23 h SER 108 CO -0.26 0.86 -0.03 -0.07 -0.53 0.00 0.00 176.83 176.80 1x23 h LEU 109 N 1.22 0.16 -0.44 2.23 3.38 -0.69 0.30 115.31 121.47 1x23 h LEU 109 Ca 0.31 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 58.12 1x23 h LEU 109 Cb 0.00 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1x23 h LEU 109 CO -0.05 0.23 -0.29 -0.07 0.09 0.00 0.00 178.44 178.34 1x23 h LEU 110 N 0.18 1.02 -0.49 1.67 3.38 -0.77 -2.36 115.31 117.93 1x23 h LEU 110 Ca 0.04 -0.43 -0.15 0.00 0.09 0.00 0.00 57.88 57.44 1x23 h LEU 110 Cb 0.18 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1x23 h LEU 110 CO 0.01 1.23 -0.70 0.00 0.09 0.00 0.00 178.44 179.06 1x23 n ASP 112 N -3.59 -0.23 -4.75 0.00 4.64 0.08 -5.02 116.55 107.67 1x23 n ASP 112 Ca -0.00 -2.49 -0.36 0.00 -1.38 0.00 0.00 54.79 50.55 1x23 n ASP 112 Cb 0.71 -0.58 0.03 0.00 -1.04 0.00 0.00 41.12 40.24 1x23 n ASP 112 CO 0.00 0.00 0.00 -2.84 -0.82 0.00 0.00 177.20 173.54 1x23 s PRO 113 N -0.37 3.02 -0.79 -0.67 0.02 -0.90 -4.41 135.00 130.89 1x23 s PRO 113 Ca 0.34 1.88 -0.09 0.00 0.02 0.00 0.00 61.00 63.15 1x23 s PRO 113 Cb 0.08 -1.99 0.21 0.00 0.02 0.00 0.00 34.50 32.82 1x23 s PRO 113 CO -0.17 -1.18 0.69 1.21 -0.33 0.00 0.00 177.00 177.22 1x23 s ASN 114 N -1.50 6.22 0.18 2.53 2.47 -1.26 -4.91 114.94 118.67 1x23 s ASN 114 Ca 0.76 -2.93 0.22 0.00 0.42 0.00 0.00 52.86 51.34 1x23 s ASN 114 Cb -0.32 -2.06 0.90 0.00 -1.45 0.00 0.00 41.25 38.32 1x23 s ASN 114 CO 0.35 -0.44 1.68 -0.81 -3.72 0.00 0.00 177.10 174.16 1x23 n PRO 115 N 3.54 0.15 0.18 0.43 -0.04 -1.26 -2.28 135.00 135.72 1x23 n PRO 115 Ca 0.13 0.33 0.07 0.00 -0.04 0.00 0.00 63.50 63.99 1x23 n PRO 115 Cb 0.42 -1.76 0.13 0.00 -0.04 0.00 0.00 33.50 32.26 1x23 n PRO 115 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1x23 h ASP 116 N 0.00 0.00 -2.07 3.54 5.19 -1.95 -3.36 116.42 117.77 1x23 h ASP 116 Ca 0.00 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 55.86 1x23 h ASP 116 Cb 0.41 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 39.51 1x23 h ASP 116 CO 0.00 0.30 -0.83 -0.67 -3.12 0.00 0.00 179.24 174.91 1x23 n ASP 117 N -3.20 3.34 -4.92 6.45 4.64 -0.96 -5.12 116.55 116.78 1x23 n ASP 117 Ca 0.02 -3.45 -0.26 0.00 -1.38 0.00 0.00 54.79 49.72 1x23 n ASP 117 Cb 0.63 -0.57 -0.00 0.00 -1.04 0.00 0.00 41.12 40.14 1x23 n ASP 117 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 1x23 s PRO 118 N -3.17 3.47 -0.01 -0.67 0.04 -1.23 -4.92 135.00 128.51 1x23 s PRO 118 Ca 0.45 0.00 0.22 0.00 0.04 0.00 0.00 61.00 61.71 1x23 s PRO 118 Cb 0.32 -2.46 -0.30 0.00 0.04 0.00 0.00 34.50 32.10 1x23 s PRO 118 CO -0.12 -0.13 0.57 1.28 0.04 0.00 0.00 177.00 178.65 1x23 n LEU 119 N -2.13 0.17 -3.75 -3.56 4.77 0.14 -4.77 117.00 107.87 1x23 n LEU 119 Ca -0.01 -0.02 -0.30 0.00 -0.03 0.00 0.00 56.01 55.65 1x23 n LEU 119 Cb 0.56 -0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.51 1x23 n LEU 119 CO 0.52 0.01 -0.24 -0.69 -1.33 0.00 0.00 177.39 175.66 1x23 s VAL 120 N -3.45 1.58 0.25 4.08 1.01 -0.72 -4.93 120.40 118.22 1x23 s VAL 120 Ca -0.06 -2.67 -0.04 0.00 0.00 0.00 0.00 61.98 59.22 1x23 s VAL 120 Cb 0.14 -2.11 0.21 0.00 0.00 0.00 0.00 36.38 34.62 1x23 s VAL 120 CO 0.89 -0.88 1.75 -0.65 0.00 0.00 0.00 175.10 176.22 1x23 h PRO 121 N 6.70 0.53 -0.46 2.72 0.11 -1.86 -1.31 132.00 138.44 1x23 h PRO 121 Ca -0.02 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.11 1x23 h PRO 121 Cb 0.92 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 31.86 1x23 h PRO 121 CO 0.51 0.35 0.18 1.49 -0.21 0.00 0.00 178.00 180.32 1x23 h GLU 122 N 0.55 0.35 -0.49 1.05 4.81 -1.98 0.12 114.58 118.99 1x23 h GLU 122 Ca 0.41 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.54 1x23 h GLU 122 Cb 0.56 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 1x23 h GLU 122 CO -0.35 0.23 -0.01 0.82 -0.73 0.00 0.00 179.01 178.97 1x23 h ILE 123 N 0.36 1.26 -0.85 2.32 2.04 -1.71 -2.63 117.51 118.31 1x23 h ILE 123 Ca 0.21 -1.09 0.02 0.00 1.00 0.00 0.00 64.86 65.00 1x23 h ILE 123 Cb 0.19 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1x23 h ILE 123 CO -0.20 0.38 0.56 0.00 0.00 0.00 0.00 178.15 178.89 1x23 h ALA 124 N 0.92 1.42 0.30 1.87 0.00 -0.64 0.62 119.26 123.75 1x23 h ALA 124 Ca 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1x23 h ALA 124 Cb 0.53 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1x23 h ALA 124 CO 0.03 0.52 -0.14 -0.09 0.00 0.00 0.00 179.25 179.56 1x23 h ARG 125 N 1.12 -0.39 -0.31 0.00 2.43 -0.73 -1.95 114.38 114.55 1x23 h ARG 125 Ca 0.32 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.56 1x23 h ARG 125 Cb -0.07 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 1x23 h ARG 125 CO -0.08 -0.17 0.06 0.82 -1.51 0.00 0.00 179.97 179.08 1x23 h ILE 126 N -0.54 0.85 -0.64 1.20 1.08 -1.11 -0.44 117.51 117.92 1x23 h ILE 126 Ca -0.04 -0.06 0.13 0.00 -0.39 0.00 0.00 64.86 64.50 1x23 h ILE 126 Cb 0.40 0.67 -0.12 0.00 -3.07 0.00 0.00 36.82 34.69 1x23 h ILE 126 CO 0.07 0.03 -0.20 0.22 -0.69 0.00 0.00 178.15 177.58 1x23 h TYR 127 N 0.16 -0.46 -0.06 1.37 5.03 -0.70 0.12 116.97 122.44 1x23 h TYR 127 Ca 0.14 0.06 -0.02 0.00 2.58 0.00 0.00 58.73 61.50 1x23 h TYR 127 Cb 0.16 0.30 -0.00 0.00 1.55 0.00 0.00 36.73 38.74 1x23 h TYR 127 CO -0.18 -0.30 -0.03 0.87 -1.32 0.00 0.00 178.16 177.20 1x23 h LYS 128 N -0.04 0.13 0.05 1.82 1.57 -0.93 -3.33 116.57 115.84 1x23 h LYS 128 Ca 0.30 -0.06 -0.34 0.00 -1.87 0.00 0.00 60.65 58.69 1x23 h LYS 128 Cb 0.50 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 1x23 h LYS 128 CO -0.67 0.52 -1.95 0.25 -0.57 0.00 0.00 179.45 177.02 1x23 n THR 129 N -4.78 1.65 -3.43 -0.16 -2.24 -0.21 -4.64 114.28 100.46 1x23 n THR 129 Ca -0.07 -0.73 -0.26 0.00 -2.27 0.00 0.00 64.05 60.71 1x23 n THR 129 Cb 0.25 -1.29 -0.09 0.00 -2.10 0.00 0.00 70.33 67.10 1x23 n THR 129 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1x23 n ASP 130 N -3.21 0.68 -0.37 3.42 -0.08 0.39 -5.00 116.55 112.38 1x23 n ASP 130 Ca -0.27 -2.70 0.04 0.00 -1.51 0.00 0.00 54.79 50.36 1x23 n ASP 130 Cb 1.06 -0.62 0.20 0.00 2.34 0.00 0.00 41.12 44.09 1x23 n ASP 130 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1x23 h ARG 131 N 5.05 1.07 -0.08 -0.67 9.65 -1.67 -1.70 114.38 126.04 1x23 h ARG 131 Ca 0.19 -0.06 -0.10 0.00 -1.10 0.00 0.00 59.98 58.91 1x23 h ARG 131 Cb 0.85 -0.24 -0.01 0.00 -1.39 0.00 0.00 29.97 29.18 1x23 h ARG 131 CO 0.50 0.71 -0.40 -0.44 2.80 0.00 0.00 179.97 183.14 1x23 h ASP 132 N 1.10 0.16 -0.29 -3.80 5.19 -1.92 0.11 116.42 116.99 1x23 h ASP 132 Ca 0.46 -0.06 -0.09 0.00 -0.62 0.00 0.00 57.03 56.72 1x23 h ASP 132 Cb 0.29 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.75 1x23 h ASP 132 CO -0.21 0.55 -0.15 0.50 -3.12 0.00 0.00 179.24 176.81 1x23 h LYS 133 N 0.14 0.62 -0.43 3.56 3.64 -1.71 -1.22 116.57 121.16 1x23 h LYS 133 Ca 0.01 -0.28 0.07 0.00 -1.27 0.00 0.00 60.65 59.18 1x23 h LYS 133 Cb 0.76 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.51 1x23 h LYS 133 CO 0.06 0.86 0.10 -0.92 -2.27 0.00 0.00 179.45 177.27 1x23 h TYR 134 N 0.36 0.16 -0.45 1.91 3.20 -0.88 -0.76 116.97 120.51 1x23 h TYR 134 Ca 0.06 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 1x23 h TYR 134 Cb 0.68 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 1x23 h TYR 134 CO 0.06 0.02 0.19 -0.91 -1.64 0.00 0.00 178.16 175.88 1x23 h ASN 135 N 0.23 0.62 -0.22 -2.11 2.35 -0.64 0.34 115.58 116.16 1x23 h ASN 135 Ca 0.21 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1x23 h ASN 135 Cb 0.25 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1x23 h ASN 135 CO -0.26 0.61 0.12 0.03 -1.65 0.00 0.00 177.43 176.28 1x23 h ARG 136 N 0.59 0.31 -0.37 0.81 3.08 -0.96 -1.03 114.38 116.81 1x23 h ARG 136 Ca 0.15 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.10 1x23 h ARG 136 Cb 0.18 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1x23 h ARG 136 CO -0.01 0.29 -0.01 0.82 -1.07 0.00 0.00 179.97 179.98 1x23 h ILE 137 N 0.24 1.26 -0.65 2.04 2.04 -0.90 -0.55 117.51 121.00 1x23 h ILE 137 Ca 0.08 -1.01 0.05 0.00 1.00 0.00 0.00 64.86 64.98 1x23 h ILE 137 Cb 0.07 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 1x23 h ILE 137 CO -0.01 0.34 0.36 0.28 0.00 0.00 0.00 178.15 179.12 1x23 h SER 138 N 0.47 0.54 -0.70 1.72 0.02 -0.87 -1.43 113.55 113.30 1x23 h SER 138 Ca 0.10 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 1x23 h SER 138 Cb 0.48 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 1x23 h SER 138 CO 0.02 0.36 0.26 0.03 -1.14 0.00 0.00 176.83 176.35 1x23 h ARG 139 N 0.68 1.08 -0.41 3.45 3.08 -0.97 -1.04 114.38 120.26 1x23 h ARG 139 Ca 0.29 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 1x23 h ARG 139 Cb 0.17 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1x23 h ARG 139 CO -0.17 0.90 -0.02 1.49 -1.07 0.00 0.00 179.97 181.10 1x23 h GLU 140 N 1.05 0.74 -0.19 0.04 4.57 -0.76 -1.00 114.58 119.03 1x23 h GLU 140 Ca 0.24 -0.24 -0.09 0.00 -1.18 0.00 0.00 59.36 58.08 1x23 h GLU 140 Cb 0.24 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 1x23 h GLU 140 CO -0.01 0.83 -0.28 -1.49 -1.18 0.00 0.00 179.01 176.87 1x23 h TRP 141 N 0.57 0.40 -0.36 0.92 4.06 -1.13 -1.06 115.95 119.35 1x23 h TRP 141 Ca 0.11 -0.09 -0.02 0.00 2.06 0.00 0.00 58.89 60.96 1x23 h TRP 141 Cb 0.51 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 28.55 1x23 h TRP 141 CO 0.04 0.61 0.15 1.15 -3.56 0.00 0.00 178.44 176.83 1x23 h THR 142 N 0.31 1.18 -0.28 1.49 2.02 -0.95 -1.73 112.91 114.95 1x23 h THR 142 Ca 0.04 -0.54 -0.12 0.00 0.77 0.00 0.00 66.41 66.57 1x23 h THR 142 Cb 0.67 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1x23 h THR 142 CO 0.05 0.19 -0.32 1.56 0.37 0.00 0.00 175.52 177.38 1x23 h GLN 143 N 0.43 0.60 0.07 6.66 4.20 -0.93 -0.33 115.11 125.81 1x23 h GLN 143 Ca 0.12 -0.27 -0.25 0.00 0.06 0.00 0.00 58.65 58.31 1x23 h GLN 143 Cb 0.16 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1x23 h GLN 143 CO -0.01 0.84 -1.10 -0.22 -0.67 0.00 0.00 178.83 177.66 1x23 h LYS 144 N 0.51 0.33 0.00 1.46 1.63 -1.14 -3.35 116.57 116.01 1x23 h LYS 144 Ca 0.06 -0.45 -0.08 0.00 -0.85 0.00 0.00 60.65 59.32 1x23 h LYS 144 Cb 0.80 0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.57 1x23 h LYS 144 CO 0.07 1.16 -1.40 0.66 -3.45 0.00 0.00 179.45 176.49 1x23 n TYR 145 N -3.63 0.00 -0.12 1.91 0.53 -0.66 -4.69 117.16 110.51 1x23 n TYR 145 Ca -0.08 0.00 0.04 0.00 -1.02 0.00 0.00 57.90 56.84 1x23 n TYR 145 Cb 0.94 -0.27 0.11 0.00 -1.03 0.00 0.00 39.34 39.08 1x23 n TYR 145 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1x23 n ALA 146 N -2.10 2.13 0.18 -0.72 0.00 -0.17 -4.72 120.51 115.11 1x23 n ALA 146 Ca -0.08 -1.09 0.02 0.00 0.00 0.00 0.00 53.44 52.29 1x23 n ALA 146 Cb 0.56 -0.31 0.02 0.00 0.00 0.00 0.00 19.45 19.71 1x23 n ALA 146 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17