#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 6.10 0.48 1.61 1.04 -1.26 -5.01 113.70 116.65 1x23 s SER -4 Ca 0.00 0.02 0.19 0.00 0.48 0.00 0.00 55.95 56.64 1x23 s SER -4 Cb 0.00 -1.75 1.18 0.00 0.10 0.00 0.00 66.02 65.56 1x23 s SER -4 CO 0.00 -0.02 2.03 -0.65 0.98 0.00 0.00 173.24 175.58 1x23 h PRO -3 N 1.61 0.00 -0.02 4.02 0.11 -2.07 -2.46 132.00 133.19 1x23 h PRO -3 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1x23 h PRO -3 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1x23 h PRO -3 CO 0.63 0.15 0.00 0.39 -0.21 0.00 0.00 178.00 178.97 1x23 n GLU -2 N -4.09 1.21 -0.06 1.05 1.02 -1.26 -4.13 120.64 114.38 1x23 n GLU -2 Ca -0.02 -0.31 -0.07 0.00 -0.02 0.00 0.00 57.16 56.73 1x23 n GLU -2 Cb 0.23 -1.42 -0.01 0.00 -0.02 0.00 0.00 31.44 30.22 1x23 n GLU -2 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1x23 h PHE -1 N 0.70 -0.48 -0.47 -0.32 3.57 -1.81 -0.71 116.94 117.42 1x23 h PHE -1 Ca 0.00 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1x23 h PHE -1 Cb 0.15 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1x23 h PHE -1 CO 0.01 -0.26 0.08 0.52 -2.23 0.00 0.00 178.31 176.43 1x23 h MET 1 N -0.17 0.73 -0.39 1.11 2.86 -1.84 0.19 114.93 117.42 1x23 h MET 1 Ca 0.14 -0.16 -0.15 0.00 -2.06 0.00 0.00 59.70 57.48 1x23 h MET 1 Cb 0.39 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1x23 h MET 1 CO -0.37 0.69 -0.34 0.00 1.06 0.00 0.00 176.91 177.96 1x23 h ALA 2 N 1.38 0.65 -0.46 6.32 0.00 -1.56 -1.62 119.26 123.98 1x23 h ALA 2 Ca 0.15 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1x23 h ALA 2 Cb 0.32 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1x23 h ALA 2 CO 0.00 0.67 -0.06 -0.07 0.00 0.00 0.00 179.25 179.80 1x23 h LEU 3 N 0.75 0.84 -0.68 0.00 3.38 -0.80 -0.42 115.31 118.39 1x23 h LEU 3 Ca 0.07 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.73 1x23 h LEU 3 Cb 0.92 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 1x23 h LEU 3 CO 0.09 0.98 0.42 0.50 0.09 0.00 0.00 178.44 180.52 1x23 h LYS 4 N 0.69 0.80 -0.38 1.13 3.64 -0.82 -1.03 116.57 120.60 1x23 h LYS 4 Ca 0.12 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 1x23 h LYS 4 Cb 0.59 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1x23 h LYS 4 CO 0.04 0.53 -0.07 -0.09 -2.27 0.00 0.00 179.45 177.59 1x23 h ARG 5 N 0.83 0.71 -0.49 1.90 9.65 -1.13 -1.11 114.38 124.74 1x23 h ARG 5 Ca 0.28 -0.26 -0.12 0.00 -1.10 0.00 0.00 59.98 58.77 1x23 h ARG 5 Cb 0.03 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.55 1x23 h ARG 5 CO -0.11 0.85 -0.18 0.82 2.80 0.00 0.00 179.97 184.15 1x23 h ILE 6 N 0.52 1.27 -0.80 1.20 2.04 -0.92 -1.15 117.51 119.67 1x23 h ILE 6 Ca 0.10 -1.33 -0.04 0.00 1.00 0.00 0.00 64.86 64.59 1x23 h ILE 6 Cb 0.57 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 1x23 h ILE 6 CO 0.03 0.46 0.34 0.78 0.00 0.00 0.00 178.15 179.77 1x23 h ASN 7 N 0.85 1.08 -0.40 1.72 -0.26 -1.10 -0.90 115.58 116.57 1x23 h ASN 7 Ca 0.12 -0.16 0.00 0.00 -0.56 0.00 0.00 56.30 55.70 1x23 h ASN 7 Cb 0.74 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.70 1x23 h ASN 7 CO 0.06 0.94 0.26 0.50 -1.06 0.00 0.00 177.43 178.13 1x23 h LYS 8 N 1.15 0.53 -0.80 0.81 1.63 -0.89 -1.98 116.57 117.03 1x23 h LYS 8 Ca 0.27 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.99 1x23 h LYS 8 Cb 0.18 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.66 1x23 h LYS 8 CO -0.03 0.37 0.32 0.93 -3.45 0.00 0.00 179.45 177.59 1x23 h GLU 9 N 0.54 1.19 -0.83 1.90 5.08 -1.00 -0.16 114.58 121.30 1x23 h GLU 9 Ca 0.15 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1x23 h GLU 9 Cb -0.04 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 28.97 1x23 h GLU 9 CO -0.03 0.97 0.55 1.25 -1.00 0.00 0.00 179.01 180.74 1x23 h LEU 10 N 1.16 0.96 -0.20 1.33 6.46 -1.01 0.25 115.31 124.25 1x23 h LEU 10 Ca 0.27 -0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.94 1x23 h LEU 10 Cb 0.22 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.91 1x23 h LEU 10 CO -0.02 0.70 -0.10 0.77 -0.62 0.00 0.00 178.44 179.17 1x23 h SER 11 N 1.13 0.44 -0.71 1.25 4.64 -0.83 -2.12 113.55 117.35 1x23 h SER 11 Ca 0.30 -0.41 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 1x23 h SER 11 Cb -0.12 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 61.81 1x23 h SER 11 CO -0.06 0.76 0.39 0.44 -0.87 0.00 0.00 176.83 177.48 1x23 h ASP 12 N 0.12 0.89 -0.54 4.97 3.45 -0.87 -1.60 116.42 122.85 1x23 h ASP 12 Ca 0.04 -0.10 -0.02 0.00 0.43 0.00 0.00 57.03 57.38 1x23 h ASP 12 Cb 0.59 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 39.11 1x23 h ASP 12 CO 0.03 0.73 0.26 0.25 -1.57 0.00 0.00 179.24 178.94 1x23 h LEU 13 N 0.98 0.74 -0.27 1.55 5.85 -0.89 -1.85 115.31 121.41 1x23 h LEU 13 Ca 0.25 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.79 1x23 h LEU 13 Cb 0.04 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1x23 h LEU 13 CO -0.04 0.64 -0.23 0.00 -0.34 0.00 0.00 178.44 178.47 1x23 h ALA 14 N 1.47 0.40 0.00 1.25 0.00 -0.74 -0.97 119.26 120.67 1x23 h ALA 14 Ca 0.20 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1x23 h ALA 14 Cb 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1x23 h ALA 14 CO -0.02 0.36 -0.34 0.07 0.00 0.00 0.00 179.25 179.32 1x23 h ARG 15 N 0.37 0.00 -1.16 0.00 0.11 -1.13 -3.38 114.38 109.19 1x23 h ARG 15 Ca 0.05 0.00 -0.41 0.00 0.10 0.00 0.00 59.98 59.72 1x23 h ARG 15 Cb 0.78 0.00 -0.28 0.00 1.11 0.00 0.00 29.97 31.58 1x23 h ARG 15 CO 0.06 0.34 -0.83 -3.47 0.10 0.00 0.00 179.97 176.17 1x23 n ASP 16 N -3.64 -1.25 -4.77 0.08 4.64 -0.71 -5.11 116.55 105.79 1x23 n ASP 16 Ca -0.01 -2.94 -0.40 0.00 -1.38 0.00 0.00 54.79 50.06 1x23 n ASP 16 Cb 0.45 0.46 -0.03 0.00 -1.04 0.00 0.00 41.12 40.97 1x23 n ASP 16 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 1x23 s PRO 17 N -0.29 4.37 0.53 -0.67 0.04 -0.38 -4.65 135.00 133.96 1x23 s PRO 17 Ca 0.34 2.05 -0.22 0.00 0.04 0.00 0.00 61.00 63.21 1x23 s PRO 17 Cb 0.18 -3.03 -0.05 0.00 0.04 0.00 0.00 34.50 31.64 1x23 s PRO 17 CO -0.17 -0.11 1.29 -2.14 0.04 0.00 0.00 177.00 175.91 1x23 s PRO 18 N -1.79 3.28 0.46 0.56 0.02 -1.26 -4.90 135.00 131.38 1x23 s PRO 18 Ca 0.49 2.06 -0.25 0.00 0.02 0.00 0.00 61.00 63.32 1x23 s PRO 18 Cb -0.36 -2.25 -0.08 0.00 0.02 0.00 0.00 34.50 31.82 1x23 s PRO 18 CO 0.48 -1.03 1.43 0.00 -0.33 0.00 0.00 177.00 177.55 1x23 n ALA 19 N -0.96 1.99 -3.15 -1.55 0.00 -1.26 -2.88 120.51 112.70 1x23 n ALA 19 Ca 0.10 0.23 -0.21 0.00 0.00 0.00 0.00 53.44 53.56 1x23 n ALA 19 Cb 0.46 -2.39 0.01 0.00 0.00 0.00 0.00 19.45 17.53 1x23 n ALA 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1x23 n GLN 20 N -0.30 -3.59 -4.37 0.00 6.02 -1.26 -4.95 117.38 108.93 1x23 n GLN 20 Ca 0.06 0.60 -0.19 0.00 -0.01 0.00 0.00 57.00 57.46 1x23 n GLN 20 Cb 0.42 -5.33 -0.14 0.00 1.02 0.00 0.00 30.24 26.21 1x23 n GLN 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x23 s SER 22 N -0.55 1.08 -0.04 0.00 0.01 -0.43 -4.70 113.70 109.07 1x23 s SER 22 Ca 0.02 -0.16 -0.15 0.00 1.31 0.00 0.00 55.95 56.97 1x23 s SER 22 Cb -0.05 -0.40 0.03 0.00 0.21 0.00 0.00 66.02 65.80 1x23 s SER 22 CO 0.00 0.01 0.33 0.00 0.41 0.00 0.00 173.24 173.99 1x23 s ALA 23 N 0.52 -0.84 0.00 1.44 0.00 -1.26 -0.00 121.76 121.61 1x23 s ALA 23 Ca -0.08 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.37 1x23 s ALA 23 Cb -0.11 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.97 1x23 s ALA 23 CO 0.01 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.93 1x23 n GLY 24 N 1.54 0.26 3.76 0.00 0.00 -0.68 -4.99 105.19 105.07 1x23 n GLY 24 Ca -0.20 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.59 1x23 n GLY 24 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x23 s PRO 25 N -2.00 2.71 -0.37 1.61 0.04 -1.26 -0.44 135.00 135.29 1x23 s PRO 25 Ca 0.00 1.55 -0.24 0.00 0.04 0.00 0.00 61.00 62.36 1x23 s PRO 25 Cb 0.00 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.63 1x23 s PRO 25 CO 0.00 -1.35 0.80 0.14 0.04 0.00 0.00 177.00 176.63 1x23 s VAL 26 N -2.11 4.71 0.00 -0.36 -7.23 -0.16 -4.73 120.40 110.52 1x23 s VAL 26 Ca 0.71 0.92 0.00 0.00 -1.81 0.00 0.00 61.98 61.80 1x23 s VAL 26 Cb -0.24 -4.23 0.00 0.00 0.56 0.00 0.00 36.38 32.47 1x23 s VAL 26 CO 0.40 -0.45 0.00 0.61 -0.31 0.00 0.00 175.10 175.34 1x23 n GLY 27 N 4.51 2.70 0.26 2.32 0.00 -1.26 -1.79 105.19 111.93 1x23 n GLY 27 Ca 0.04 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.03 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 1.58 0.80 -4.41 1.61 9.92 -1.26 -4.75 116.55 120.04 1x23 n ASP 28 Ca 0.00 -1.32 -0.44 0.00 -0.53 0.00 0.00 54.79 52.50 1x23 n ASP 28 Cb 0.00 -0.01 -0.04 0.00 -0.64 0.00 0.00 41.12 40.43 1x23 n ASP 28 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1x23 s ASP 29 N -1.92 6.20 0.43 -2.24 3.68 -0.74 -4.88 116.67 117.20 1x23 s ASP 29 Ca 0.40 -1.28 0.29 0.00 2.13 0.00 0.00 52.55 54.10 1x23 s ASP 29 Cb 0.20 -2.35 1.18 0.00 -1.45 0.00 0.00 42.92 40.49 1x23 s ASP 29 CO 0.33 -1.25 1.87 0.24 0.13 0.00 0.00 175.17 176.49 1x23 h MET 30 N 9.33 0.00 -0.00 4.34 2.86 -1.85 -2.82 114.93 126.79 1x23 h MET 30 Ca -0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1x23 h MET 30 Cb 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.74 1x23 h MET 30 CO 1.13 0.00 -0.17 1.19 1.06 0.00 0.00 176.91 180.12 1x23 n PHE 31 N -2.75 0.00 -3.93 -0.22 3.72 -1.26 -4.71 117.46 108.31 1x23 n PHE 31 Ca 0.01 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.12 1x23 n PHE 31 Cb 0.29 -0.30 -0.16 0.00 -0.94 0.00 0.00 39.48 38.37 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 -2.78 2.22 0.27 1.38 2.46 -1.06 -1.36 115.29 116.42 1x23 s HIS 32 Ca 0.19 -1.56 0.10 0.00 0.47 0.00 0.00 55.06 54.26 1x23 s HIS 32 Cb 0.19 -1.52 -0.04 0.00 -0.13 0.00 0.00 32.58 31.07 1x23 s HIS 32 CO 0.55 -0.73 -0.04 -1.58 -2.47 0.00 0.00 174.74 170.47 1x23 s TRP 33 N 1.46 2.62 0.14 3.88 0.52 0.40 -0.99 118.94 126.97 1x23 s TRP 33 Ca -0.03 -0.25 0.11 0.00 0.02 0.00 0.00 56.10 55.94 1x23 s TRP 33 Cb -0.18 -1.17 -0.04 0.00 -1.15 0.00 0.00 33.47 30.94 1x23 s TRP 33 CO -0.07 0.63 -0.25 -0.65 0.02 0.00 0.00 176.95 176.63 1x23 s GLN 34 N -3.65 1.38 0.07 4.98 -1.52 0.41 -1.74 119.66 119.59 1x23 s GLN 34 Ca 0.31 -1.36 0.02 0.00 -1.95 0.00 0.00 55.36 52.38 1x23 s GLN 34 Cb -0.06 -1.81 -0.03 0.00 -0.22 0.00 0.00 33.01 30.88 1x23 s GLN 34 CO 0.19 0.42 -0.07 0.00 -0.25 0.00 0.00 175.29 175.58 1x23 s ALA 35 N -1.20 0.76 0.03 6.09 0.00 -0.44 -1.68 121.76 125.31 1x23 s ALA 35 Ca 0.14 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 51.08 1x23 s ALA 35 Cb -0.10 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 1x23 s ALA 35 CO 0.06 -0.15 -0.16 0.95 0.00 0.00 0.00 175.76 176.47 1x23 s THR 36 N -2.64 1.24 0.02 0.00 -4.23 1.00 -1.45 115.64 109.58 1x23 s THR 36 Ca 0.02 -0.99 0.05 0.00 -1.18 0.00 0.00 61.69 59.58 1x23 s THR 36 Cb -0.01 -1.10 -0.02 0.00 1.34 0.00 0.00 72.50 72.71 1x23 s THR 36 CO -0.03 0.09 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.36 1x23 s ILE 37 N -0.77 1.17 0.20 2.99 1.01 0.20 -1.31 121.20 124.67 1x23 s ILE 37 Ca 0.03 -0.83 -0.15 0.00 0.00 0.00 0.00 60.65 59.70 1x23 s ILE 37 Cb -0.08 -1.01 -0.08 0.00 0.01 0.00 0.00 42.46 41.30 1x23 s ILE 37 CO 0.01 0.17 0.62 -0.04 0.00 0.00 0.00 174.94 175.70 1x23 s MET 38 N -0.76 4.04 0.36 2.79 -1.94 -0.63 -0.36 119.30 122.79 1x23 s MET 38 Ca 0.04 0.59 -0.27 0.00 -1.71 0.00 0.00 55.69 54.34 1x23 s MET 38 Cb -0.07 -2.83 -0.09 0.00 2.01 0.00 0.00 34.83 33.85 1x23 s MET 38 CO 0.00 0.40 1.19 0.20 -0.01 0.00 0.00 175.02 176.80 1x23 s GLY 39 N -1.83 2.93 0.26 -0.03 0.00 -1.13 -4.98 107.32 102.53 1x23 s GLY 39 Ca 0.42 1.03 0.09 0.00 0.00 0.00 0.00 44.72 46.25 1x23 s GLY 39 CO 0.20 1.59 0.06 2.56 0.00 0.00 0.00 173.10 177.50 1x23 s PRO 40 N -2.04 2.49 0.00 2.90 0.04 -1.26 -4.13 135.00 133.00 1x23 s PRO 40 Ca 0.53 -1.29 0.00 0.00 0.04 0.00 0.00 61.00 60.28 1x23 s PRO 40 Cb -0.33 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 31.91 1x23 s PRO 40 CO 0.42 0.38 0.00 -1.71 0.04 0.00 0.00 177.00 176.14 1x23 n ASN 41 N -0.93 2.44 0.00 6.66 2.85 -1.26 -3.18 115.26 121.85 1x23 n ASN 41 Ca -0.07 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.40 1x23 n ASN 41 Cb 0.58 0.39 0.00 0.00 1.24 0.00 0.00 39.78 41.99 1x23 n ASN 41 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1x23 n ASP 42 N -0.94 -0.68 0.00 1.20 4.64 -1.26 -4.88 116.55 114.63 1x23 n ASP 42 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 1x23 n ASP 42 Cb 0.10 -0.16 0.00 0.00 -1.04 0.00 0.00 41.12 40.02 1x23 n ASP 42 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 1x23 n SER 43 N 0.64 0.00 -0.34 1.67 7.64 -1.19 -4.98 113.62 117.06 1x23 n SER 43 Ca 0.00 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.01 1x23 n SER 43 Cb 0.07 0.00 0.32 0.00 -1.01 0.00 0.00 64.21 63.59 1x23 n SER 43 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1x23 h PRO 44 N 0.00 0.64 -0.00 1.43 0.11 -1.92 -1.36 132.00 130.90 1x23 h PRO 44 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1x23 h PRO 44 Cb 0.00 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 30.97 1x23 h PRO 44 CO 0.00 0.42 -0.28 0.66 -0.21 0.00 0.00 178.00 178.59 1x23 n TYR 45 N -4.84 0.00 -1.51 0.65 4.02 -1.26 -4.64 117.16 109.58 1x23 n TYR 45 Ca 0.23 0.00 -0.54 0.00 -0.01 0.00 0.00 57.90 57.58 1x23 n TYR 45 Cb 0.60 -0.25 -0.06 0.00 -0.02 0.00 0.00 39.34 39.60 1x23 n TYR 45 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1x23 n GLN 46 N -1.21 0.37 0.00 -0.72 0.00 -0.52 -0.26 117.38 115.05 1x23 n GLN 46 Ca 0.09 0.13 0.00 0.00 -0.00 0.00 0.00 57.00 57.22 1x23 n GLN 46 Cb 0.33 -1.57 0.00 0.00 0.00 0.00 0.00 30.24 29.00 1x23 n GLN 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1x23 n GLY 47 N 1.82 2.47 3.83 1.69 0.00 -1.26 -4.99 105.19 108.75 1x23 n GLY 47 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.88 2.39 -0.26 -0.02 0.00 0.65 -4.86 107.32 103.34 1x23 s GLY 48 Ca 0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 44.72 44.32 1x23 s GLY 48 CO 0.00 0.09 0.11 0.14 0.00 0.00 0.00 173.10 173.44 1x23 s VAL 49 N -0.89 4.67 -0.17 1.40 1.01 -0.22 -2.84 120.40 123.36 1x23 s VAL 49 Ca 0.22 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 1x23 s VAL 49 Cb -0.15 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 1x23 s VAL 49 CO 0.11 0.31 -0.09 -0.36 0.00 0.00 0.00 175.10 175.07 1x23 s PHE 50 N 1.62 2.90 0.03 5.22 0.40 0.51 -4.68 117.98 123.97 1x23 s PHE 50 Ca 0.06 -0.77 -0.06 0.00 -0.60 0.00 0.00 56.93 55.56 1x23 s PHE 50 Cb -0.15 -1.97 -0.05 0.00 0.51 0.00 0.00 43.02 41.36 1x23 s PHE 50 CO 0.06 -0.36 0.28 -0.06 0.70 0.00 0.00 175.22 175.84 1x23 s PHE 51 N 0.86 3.56 0.07 0.36 0.40 -1.26 -0.63 117.98 121.34 1x23 s PHE 51 Ca -0.02 0.55 0.04 0.00 -0.60 0.00 0.00 56.93 56.90 1x23 s PHE 51 Cb -0.15 -1.98 -0.03 0.00 0.51 0.00 0.00 43.02 41.37 1x23 s PHE 51 CO 0.01 0.59 -0.11 -0.51 0.70 0.00 0.00 175.22 175.89 1x23 s LEU 52 N -1.92 2.31 -0.05 -0.37 1.43 -0.53 -0.29 118.68 119.27 1x23 s LEU 52 Ca 0.30 -0.66 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1x23 s LEU 52 Cb -0.13 -0.35 -0.03 0.00 0.03 0.00 0.00 46.19 45.71 1x23 s LEU 52 CO 0.18 -0.17 -0.07 -0.89 0.23 0.00 0.00 176.35 175.63 1x23 s THR 53 N -1.70 3.71 -0.10 5.49 2.01 0.16 -1.33 115.64 123.89 1x23 s THR 53 Ca -0.02 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 61.45 1x23 s THR 53 Cb -0.08 -2.54 0.02 0.00 0.01 0.00 0.00 72.50 69.92 1x23 s THR 53 CO 0.01 0.55 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.77 1x23 s ILE 54 N -0.86 1.07 -0.22 1.82 1.01 -0.71 -1.49 121.20 121.83 1x23 s ILE 54 Ca 0.14 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.44 1x23 s ILE 54 Cb -0.11 -1.05 0.04 0.00 0.01 0.00 0.00 42.46 41.35 1x23 s ILE 54 CO 0.03 0.36 -0.15 -1.00 0.00 0.00 0.00 174.94 174.18 1x23 s HIS 55 N 1.34 3.00 0.06 3.97 3.76 -0.02 -0.46 115.29 126.94 1x23 s HIS 55 Ca -0.02 -1.97 -0.23 0.00 -0.15 0.00 0.00 55.06 52.69 1x23 s HIS 55 Cb -0.14 -1.91 -0.06 0.00 1.11 0.00 0.00 32.58 31.58 1x23 s HIS 55 CO -0.04 -0.84 0.68 -0.06 -0.85 0.00 0.00 174.74 173.63 1x23 s PHE 56 N 1.20 3.76 0.64 1.40 0.08 -0.46 -0.03 117.98 124.58 1x23 s PHE 56 Ca -0.02 1.39 -0.15 0.00 0.12 0.00 0.00 56.93 58.27 1x23 s PHE 56 Cb -0.16 -2.70 -0.01 0.00 -0.57 0.00 0.00 43.02 39.58 1x23 s PHE 56 CO -0.09 0.39 1.09 -1.25 -0.10 0.00 0.00 175.22 175.26 1x23 s PRO 57 N -0.46 2.99 0.45 0.24 0.04 -1.26 -4.89 135.00 132.10 1x23 s PRO 57 Ca 0.34 1.29 0.16 0.00 0.04 0.00 0.00 61.00 62.83 1x23 s PRO 57 Cb -0.20 -1.98 1.09 0.00 0.04 0.00 0.00 34.50 33.45 1x23 s PRO 57 CO 0.21 -1.09 1.98 1.15 0.04 0.00 0.00 177.00 179.29 1x23 h THR 58 N 0.11 0.86 -0.56 1.26 2.02 -1.98 -2.10 112.91 112.53 1x23 h THR 58 Ca -0.47 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.60 1x23 h THR 58 Cb 1.23 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1x23 h THR 58 CO 0.55 0.06 0.00 -0.90 0.37 0.00 0.00 175.52 175.61 1x23 n ASP 59 N -4.46 5.27 -4.65 4.18 3.85 -1.26 -4.54 116.55 114.94 1x23 n ASP 59 Ca 0.10 -2.78 -0.43 0.00 -0.71 0.00 0.00 54.79 50.97 1x23 n ASP 59 Cb 0.41 -0.65 -0.01 0.00 -1.35 0.00 0.00 41.12 39.52 1x23 n ASP 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1x23 n TYR 60 N 0.69 1.84 -0.73 2.11 9.36 -0.79 -1.17 117.16 128.46 1x23 n TYR 60 Ca 0.26 0.60 -0.05 0.00 3.32 0.00 0.00 57.90 62.03 1x23 n TYR 60 Cb 1.08 -2.34 0.27 0.00 -0.63 0.00 0.00 39.34 37.72 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 0.56 3.38 0.00 2.98 -0.04 -1.26 -3.56 135.00 137.06 1x23 n PRO 61 Ca 0.07 -2.64 0.14 0.00 -0.04 0.00 0.00 63.50 61.03 1x23 n PRO 61 Cb 0.35 -2.09 0.57 0.00 -0.04 0.00 0.00 33.50 32.29 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 -0.07 0.00 -3.93 0.54 3.01 -0.32 -3.75 117.46 112.94 1x23 n PHE 62 Ca 0.35 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.72 1x23 n PHE 62 Cb 1.25 -0.12 -0.10 0.00 -0.01 0.00 0.00 39.48 40.50 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 -2.36 0.54 0.63 -1.08 1.02 -1.25 -4.97 119.74 112.27 1x23 s LYS 63 Ca 0.31 -0.70 -0.13 0.00 0.02 0.00 0.00 55.97 55.47 1x23 s LYS 63 Cb 0.20 0.21 -0.02 0.00 -0.52 0.00 0.00 37.83 37.70 1x23 s LYS 63 CO 0.45 -0.13 1.05 -1.25 -0.92 0.00 0.00 175.35 174.55 1x23 s PRO 64 N -2.33 3.25 0.63 -1.68 0.04 -1.26 -4.54 135.00 129.10 1x23 s PRO 64 Ca -0.07 1.04 -0.16 0.00 0.04 0.00 0.00 61.00 61.85 1x23 s PRO 64 Cb -0.03 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 1x23 s PRO 64 CO -0.03 -0.86 1.12 -1.25 0.04 0.00 0.00 177.00 176.02 1x23 s PRO 65 N -4.55 2.94 -0.14 0.56 0.04 -1.26 -4.54 135.00 128.05 1x23 s PRO 65 Ca 0.60 1.47 -0.19 0.00 0.04 0.00 0.00 61.00 62.92 1x23 s PRO 65 Cb -0.14 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1x23 s PRO 65 CO 0.45 -1.15 0.53 0.21 0.04 0.00 0.00 177.00 177.08 1x23 s LYS 66 N -3.85 4.31 -0.06 4.56 2.20 0.96 -4.94 119.74 122.92 1x23 s LYS 66 Ca 0.69 0.52 0.04 0.00 -0.36 0.00 0.00 55.97 56.86 1x23 s LYS 66 Cb -0.22 -3.48 -0.00 0.00 -1.51 0.00 0.00 37.83 32.62 1x23 s LYS 66 CO 0.37 0.04 -0.20 0.08 -0.36 0.00 0.00 175.35 175.28 1x23 s VAL 67 N 1.00 1.69 -0.00 4.02 1.01 -1.26 -0.84 120.40 126.03 1x23 s VAL 67 Ca 0.27 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1x23 s VAL 67 Cb -0.16 -1.46 -0.00 0.00 0.00 0.00 0.00 36.38 34.76 1x23 s VAL 67 CO 0.11 0.48 -0.05 0.00 0.00 0.00 0.00 175.10 175.64 1x23 s ALA 68 N 0.15 0.44 0.14 5.51 0.00 -0.55 -4.40 121.76 123.05 1x23 s ALA 68 Ca -0.09 -0.25 -0.30 0.00 0.00 0.00 0.00 51.96 51.32 1x23 s ALA 68 Cb -0.14 -0.11 -0.08 0.00 0.00 0.00 0.00 23.12 22.80 1x23 s ALA 68 CO 0.04 0.10 1.27 -0.06 0.00 0.00 0.00 175.76 177.12 1x23 s PHE 69 N -0.18 3.35 -0.44 0.00 0.08 -0.82 -0.66 117.98 119.31 1x23 s PHE 69 Ca 0.02 1.23 0.12 0.00 0.12 0.00 0.00 56.93 58.42 1x23 s PHE 69 Cb -0.02 -3.53 -0.14 0.00 -0.57 0.00 0.00 43.02 38.76 1x23 s PHE 69 CO -0.00 -1.66 0.45 0.25 -0.10 0.00 0.00 175.22 174.16 1x23 n THR 70 N 3.22 0.00 -3.28 0.64 -2.24 0.60 -4.21 114.28 109.02 1x23 n THR 70 Ca 0.08 -0.24 -0.38 0.00 -2.27 0.00 0.00 64.05 61.24 1x23 n THR 70 Cb 0.44 0.85 -0.06 0.00 -2.10 0.00 0.00 70.33 69.46 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 -2.24 5.12 0.34 4.28 2.01 -1.17 -4.96 115.64 119.01 1x23 s THR 71 Ca 0.03 1.05 -0.29 0.00 0.31 0.00 0.00 61.69 62.79 1x23 s THR 71 Cb 0.09 -3.86 -0.11 0.00 0.01 0.00 0.00 72.50 68.63 1x23 s THR 71 CO 0.48 0.35 1.52 0.54 -0.69 0.00 0.00 174.62 176.82 1x23 n ARG 72 N 3.42 2.65 -3.73 4.92 1.74 -1.26 -4.88 116.66 119.53 1x23 n ARG 72 Ca -0.07 0.94 -0.13 0.00 -0.77 0.00 0.00 57.85 57.81 1x23 n ARG 72 Cb 0.52 -2.68 -0.10 0.00 -1.02 0.00 0.00 32.46 29.18 1x23 n ARG 72 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1x23 s ILE 73 N -0.62 0.01 -0.53 0.55 2.07 -1.26 -4.79 121.20 116.62 1x23 s ILE 73 Ca 0.58 -0.07 -0.20 0.00 -1.41 0.00 0.00 60.65 59.54 1x23 s ILE 73 Cb -0.49 -0.61 0.06 0.00 0.13 0.00 0.00 42.46 41.55 1x23 s ILE 73 CO 0.57 -0.04 0.72 -0.47 -1.91 0.00 0.00 174.94 173.81 1x23 s TYR 74 N -0.08 2.97 -0.26 3.50 6.14 -1.26 -4.93 117.35 123.43 1x23 s TYR 74 Ca -0.03 -0.46 -0.21 0.00 0.64 0.00 0.00 57.07 57.02 1x23 s TYR 74 Cb -0.03 -3.74 0.07 0.00 0.42 0.00 0.00 41.96 38.68 1x23 s TYR 74 CO 0.02 -1.16 0.68 -1.58 0.64 0.00 0.00 175.55 174.14 1x23 s HIS 75 N 3.01 -0.86 0.50 4.97 2.46 -1.26 -4.75 115.29 119.36 1x23 s HIS 75 Ca 0.19 1.93 0.20 0.00 0.47 0.00 0.00 55.06 57.84 1x23 s HIS 75 Cb -0.18 0.39 1.26 0.00 -0.13 0.00 0.00 32.58 33.92 1x23 s HIS 75 CO 0.13 -0.42 2.01 -1.35 -2.47 0.00 0.00 174.74 172.64 1x23 h PRO 76 N 5.81 0.14 -0.12 2.88 0.11 -1.87 -3.08 132.00 135.86 1x23 h PRO 76 Ca -0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1x23 h PRO 76 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1x23 h PRO 76 CO 0.11 0.09 0.00 0.09 -0.21 0.00 0.00 178.00 178.08 1x23 n ASN 77 N -4.43 2.14 -3.91 -2.05 5.03 -1.26 -2.24 115.26 108.54 1x23 n ASN 77 Ca 0.08 -1.63 -0.24 0.00 0.87 0.00 0.00 54.58 53.66 1x23 n ASN 77 Cb 0.46 -0.08 -0.17 0.00 -1.02 0.00 0.00 39.78 38.98 1x23 n ASN 77 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1x23 s ILE 78 N -0.83 0.83 0.16 2.41 1.01 -1.17 -0.68 121.20 122.93 1x23 s ILE 78 Ca 0.13 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.58 1x23 s ILE 78 Cb 0.08 -0.84 0.02 0.00 0.01 0.00 0.00 42.46 41.73 1x23 s ILE 78 CO 0.11 0.31 0.20 -0.46 0.00 0.00 0.00 174.94 175.10 1x23 n ASN 79 N 4.51 0.71 0.19 3.58 0.23 -0.92 -4.31 115.26 119.25 1x23 n ASN 79 Ca -0.17 -1.43 0.13 0.00 -0.53 0.00 0.00 54.58 52.58 1x23 n ASN 79 Cb 0.51 -0.10 0.28 0.00 -2.08 0.00 0.00 39.78 38.39 1x23 n ASN 79 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1x23 h SER 80 N 0.05 0.00 0.76 0.53 0.02 -1.93 -2.94 113.55 110.03 1x23 h SER 80 Ca -0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1x23 h SER 80 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1x23 h SER 80 CO 0.11 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.39 1x23 n ASN 81 N -2.84 0.00 0.00 3.07 4.13 -1.26 -4.88 115.26 113.48 1x23 n ASN 81 Ca 0.04 0.30 0.00 0.00 1.68 0.00 0.00 54.58 56.61 1x23 n ASN 81 Cb 0.48 -0.43 0.00 0.00 -1.54 0.00 0.00 39.78 38.29 1x23 n ASN 81 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1x23 n GLY 82 N 1.09 2.63 3.71 7.41 0.00 -1.11 -4.95 105.19 113.96 1x23 n GLY 82 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1x23 n GLY 82 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x23 n SER 83 N 0.00 3.05 -4.36 1.61 7.64 -1.26 -1.94 113.62 118.36 1x23 n SER 83 Ca 0.00 1.19 -0.32 0.00 1.01 0.00 0.00 58.87 60.75 1x23 n SER 83 Cb 0.00 -1.50 -0.15 0.00 -1.01 0.00 0.00 64.21 61.55 1x23 n SER 83 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1x23 s ILE 84 N -0.70 2.48 -0.89 0.44 1.01 -1.26 -2.17 121.20 120.11 1x23 s ILE 84 Ca 0.59 -0.93 -0.10 0.00 0.00 0.00 0.00 60.65 60.21 1x23 s ILE 84 Cb -0.56 -1.92 0.23 0.00 0.01 0.00 0.00 42.46 40.21 1x23 s ILE 84 CO 0.58 0.58 0.83 0.00 0.00 0.00 0.00 174.94 176.92 1x23 s LEU 86 N -0.40 1.68 0.26 0.00 1.43 -1.26 -4.99 118.68 115.39 1x23 s LEU 86 Ca 0.22 -0.35 -0.04 0.00 -1.03 0.00 0.00 54.13 52.94 1x23 s LEU 86 Cb -0.11 -0.93 0.36 0.00 0.03 0.00 0.00 46.19 45.54 1x23 s LEU 86 CO -0.08 0.03 1.89 0.44 0.23 0.00 0.00 176.35 178.86 1x23 h ASP 87 N 7.09 1.03 0.26 2.29 3.32 -1.98 -1.75 116.42 126.68 1x23 h ASP 87 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1x23 h ASP 87 Cb 1.19 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1x23 h ASP 87 CO 0.47 0.67 0.00 2.30 -1.72 0.00 0.00 179.24 180.97 1x23 n ILE 88 N -4.50 1.00 1.05 0.35 -5.35 -1.26 -1.03 119.36 109.62 1x23 n ILE 88 Ca 0.14 0.55 0.11 0.00 -0.27 0.00 0.00 62.75 63.28 1x23 n ILE 88 Cb 0.15 -1.52 0.06 0.00 -1.74 0.00 0.00 39.64 36.58 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 -2.21 1.48 0.00 7.28 4.77 -0.66 -2.99 117.00 124.66 1x23 n LEU 89 Ca -0.00 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 1x23 n LEU 89 Cb 0.10 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1x23 n LEU 89 CO 0.13 0.29 0.00 0.54 -1.33 0.00 0.00 177.39 177.02 1x23 n ARG 90 N -0.61 0.00 0.06 3.23 1.74 -0.20 -4.86 116.66 116.02 1x23 n ARG 90 Ca 0.08 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.28 1x23 n ARG 90 Cb 0.40 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.80 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 0.55 -1.28 0.55 3.41 -0.98 -4.33 113.62 111.54 1x23 n SER 91 Ca 0.00 0.13 0.01 0.00 -0.26 0.00 0.00 58.87 58.76 1x23 n SER 91 Cb 0.00 0.97 0.26 0.00 -0.26 0.00 0.00 64.21 65.18 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 -2.42 2.93 -1.95 4.33 1.13 -0.69 -4.99 117.38 115.71 1x23 n GLN 92 Ca -0.01 -3.00 -0.38 0.00 -1.94 0.00 0.00 57.00 51.67 1x23 n GLN 92 Cb 0.53 -1.95 0.02 0.00 0.11 0.00 0.00 30.24 28.95 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 2.53 0.02 1.08 -0.11 -1.16 -4.60 118.94 113.73 1x23 s TRP 93 Ca 0.47 1.42 0.03 0.00 1.22 0.00 0.00 56.10 59.24 1x23 s TRP 93 Cb 0.39 -3.67 -0.02 0.00 -1.50 0.00 0.00 33.47 28.67 1x23 s TRP 93 CO 0.08 -2.40 -0.11 0.45 -4.62 0.00 0.00 176.95 170.35 1x23 s SER 94 N -1.02 1.24 0.04 5.86 0.15 -1.26 -5.02 113.70 113.70 1x23 s SER 94 Ca 0.67 -0.37 0.10 0.00 0.70 0.00 0.00 55.95 57.05 1x23 s SER 94 Cb -0.37 -0.07 0.46 0.00 -1.71 0.00 0.00 66.02 64.33 1x23 s SER 94 CO 0.45 0.00 1.33 -2.65 1.20 0.00 0.00 173.24 173.57 1x23 n PRO 95 N 2.13 0.03 0.19 5.44 -0.02 -1.25 -1.37 135.00 140.14 1x23 n PRO 95 Ca -0.17 0.38 0.14 0.00 -2.02 0.00 0.00 63.50 61.83 1x23 n PRO 95 Cb 0.56 -1.56 0.54 0.00 -0.02 0.00 0.00 33.50 33.02 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 2.26 1.00 -2.34 3.55 0.00 -1.96 -3.45 119.26 118.32 1x23 h ALA 96 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 1x23 h ALA 96 Cb 0.15 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.00 1x23 h ALA 96 CO 0.00 0.00 0.30 -0.51 0.00 0.00 0.00 179.25 179.04 1x23 s LEU 97 N -5.17 3.33 0.23 0.00 1.43 -0.48 -5.08 118.68 112.94 1x23 s LEU 97 Ca 0.04 1.18 0.00 0.00 -1.03 0.00 0.00 54.13 54.33 1x23 s LEU 97 Cb 0.09 -4.17 -0.05 0.00 0.03 0.00 0.00 46.19 42.10 1x23 s LEU 97 CO 0.47 -0.83 0.10 0.42 0.23 0.00 0.00 176.35 176.75 1x23 s THR 98 N -3.04 0.37 0.32 5.49 -4.23 -1.26 -4.99 115.64 108.31 1x23 s THR 98 Ca 0.53 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 1x23 s THR 98 Cb -0.11 -2.54 0.24 0.00 1.34 0.00 0.00 72.50 71.43 1x23 s THR 98 CO 0.50 -0.05 1.96 -0.29 -0.54 0.00 0.00 174.62 176.20 1x23 h ILE 99 N 2.50 1.19 -0.70 2.99 6.09 -1.98 -1.13 117.51 126.48 1x23 h ILE 99 Ca -0.37 -0.44 0.02 0.00 -1.37 0.00 0.00 64.86 62.70 1x23 h ILE 99 Cb 1.24 0.27 -0.04 0.00 0.47 0.00 0.00 36.82 38.77 1x23 h ILE 99 CO 0.58 0.20 0.45 0.28 -3.07 0.00 0.00 178.15 176.59 1x23 h SER 100 N 0.91 0.75 -0.42 2.19 0.02 -1.96 -0.05 113.55 114.99 1x23 h SER 100 Ca 0.24 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.11 1x23 h SER 100 Cb -0.01 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1x23 h SER 100 CO -0.04 0.53 0.01 0.50 -1.14 0.00 0.00 176.83 176.68 1x23 h LYS 101 N 0.89 0.81 -0.44 3.45 1.63 -1.83 -0.68 116.57 120.39 1x23 h LYS 101 Ca 0.27 -0.22 -0.09 0.00 -0.85 0.00 0.00 60.65 59.77 1x23 h LYS 101 Cb -0.03 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.49 1x23 h LYS 101 CO -0.09 0.81 -0.06 0.28 -3.45 0.00 0.00 179.45 176.94 1x23 h VAL 102 N 0.76 1.27 -0.62 2.00 2.07 -0.36 -1.21 116.25 120.15 1x23 h VAL 102 Ca 0.15 -1.15 -0.08 0.00 0.82 0.00 0.00 66.70 66.44 1x23 h VAL 102 Cb 0.44 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1x23 h VAL 102 CO 0.02 0.39 0.07 -0.07 0.02 0.00 0.00 177.57 178.00 1x23 h LEU 103 N 0.66 1.02 -0.65 2.57 3.38 -0.77 -1.10 115.31 120.43 1x23 h LEU 103 Ca 0.12 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.86 1x23 h LEU 103 Cb 0.58 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 1x23 h LEU 103 CO 0.03 1.04 0.37 -0.07 0.09 0.00 0.00 178.44 179.90 1x23 h LEU 104 N 0.96 0.55 -0.92 1.67 3.38 -0.99 -0.46 115.31 119.51 1x23 h LEU 104 Ca 0.19 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 1x23 h LEU 104 Cb 0.48 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1x23 h LEU 104 CO 0.02 0.36 -0.03 0.28 0.09 0.00 0.00 178.44 179.17 1x23 h SER 105 N 0.69 0.74 -0.18 -0.43 0.02 -0.68 -1.12 113.55 112.59 1x23 h SER 105 Ca 0.28 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 1x23 h SER 105 Cb 0.15 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 1x23 h SER 105 CO -0.17 0.82 -0.11 0.40 -1.14 0.00 0.00 176.83 176.63 1x23 h ILE 106 N 0.71 1.32 -0.75 3.27 2.04 -0.95 0.32 117.51 123.47 1x23 h ILE 106 Ca 0.14 -1.21 0.13 0.00 1.00 0.00 0.00 64.86 64.92 1x23 h ILE 106 Cb 0.47 1.74 -0.05 0.00 -0.74 0.00 0.00 36.82 38.24 1x23 h ILE 106 CO 0.02 0.36 0.50 0.00 0.00 0.00 0.00 178.15 179.03 1x23 h SER 108 N 0.51 0.00 0.07 0.00 0.02 -1.02 -3.22 113.55 109.92 1x23 h SER 108 Ca 0.36 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.30 1x23 h SER 108 Cb 0.71 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.24 1x23 h SER 108 CO -0.13 0.69 -0.07 0.25 -1.14 0.00 0.00 176.83 176.43 1x23 h LEU 109 N 0.00 0.00 -1.19 5.07 5.85 0.29 -1.76 115.31 123.57 1x23 h LEU 109 Ca -0.10 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.54 1x23 h LEU 109 Cb 1.61 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.63 1x23 h LEU 109 CO 0.07 0.07 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.89 1x23 h LEU 110 N 0.00 0.19 0.00 2.25 3.38 -1.41 -2.55 115.31 117.18 1x23 h LEU 110 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1x23 h LEU 110 Cb 0.13 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1x23 h LEU 110 CO 0.01 0.49 -1.74 0.00 0.09 0.00 0.00 178.44 177.29 1x23 s ASP 112 N -4.36 2.29 0.79 0.00 1.01 -0.69 -5.08 116.67 110.64 1x23 s ASP 112 Ca -0.05 -3.16 -0.15 0.00 0.71 0.00 0.00 52.55 49.90 1x23 s ASP 112 Cb 0.14 -0.70 0.00 0.00 1.01 0.00 0.00 42.92 43.37 1x23 s ASP 112 CO 0.89 -0.16 0.65 -2.65 0.21 0.00 0.00 175.17 174.10 1x23 n PRO 113 N 2.76 0.16 -3.78 8.23 -0.02 -0.97 -4.59 135.00 136.78 1x23 n PRO 113 Ca 0.26 0.10 -0.34 0.00 -2.02 0.00 0.00 63.50 61.50 1x23 n PRO 113 Cb 0.44 -1.97 -0.11 0.00 -0.02 0.00 0.00 33.50 31.84 1x23 n PRO 113 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1x23 s ASN 114 N -1.72 5.00 0.37 2.55 2.47 -1.26 -4.93 114.94 117.42 1x23 s ASN 114 Ca 0.65 -2.98 0.27 0.00 0.42 0.00 0.00 52.86 51.22 1x23 s ASN 114 Cb -0.30 -1.79 1.32 0.00 -1.45 0.00 0.00 41.25 39.02 1x23 s ASN 114 CO 0.58 -0.31 1.81 1.55 -3.72 0.00 0.00 177.10 177.01 1x23 h PRO 115 N 6.77 0.00 0.00 0.43 0.13 -1.94 -2.04 132.00 135.36 1x23 h PRO 115 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1x23 h PRO 115 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1x23 h PRO 115 CO 0.71 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 178.04 1x23 h ASP 116 N 0.00 0.00 -4.01 1.44 3.32 -1.92 -3.32 116.42 111.94 1x23 h ASP 116 Ca 0.00 0.00 -0.73 0.00 0.02 0.00 0.00 57.03 56.32 1x23 h ASP 116 Cb 0.15 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 39.37 1x23 h ASP 116 CO 0.00 0.00 -0.23 -1.81 -1.72 0.00 0.00 179.24 175.48 1x23 s ASP 117 N -4.73 5.70 -1.17 6.45 1.01 -0.77 -5.04 116.67 118.13 1x23 s ASP 117 Ca 0.10 -2.77 -0.16 0.00 0.71 0.00 0.00 52.55 50.43 1x23 s ASP 117 Cb 0.11 -1.97 0.14 0.00 1.01 0.00 0.00 42.92 42.22 1x23 s ASP 117 CO 0.59 -0.44 1.44 -2.16 0.21 0.00 0.00 175.17 174.81 1x23 s PRO 118 N 0.06 3.98 0.19 8.23 0.04 -1.25 -4.62 135.00 141.63 1x23 s PRO 118 Ca 0.17 -2.29 -0.01 0.00 0.04 0.00 0.00 61.00 58.90 1x23 s PRO 118 Cb -0.18 -5.13 0.10 0.00 0.04 0.00 0.00 34.50 29.33 1x23 s PRO 118 CO -0.05 -1.87 1.47 1.25 0.04 0.00 0.00 177.00 177.84 1x23 h LEU 119 N 10.43 0.49 -7.39 -3.56 5.85 -1.85 -3.33 115.31 115.95 1x23 h LEU 119 Ca 0.31 -0.30 -0.64 0.00 0.84 0.00 0.00 57.88 58.09 1x23 h LEU 119 Cb 0.90 -0.14 -0.41 0.00 0.37 0.00 0.00 40.66 41.38 1x23 h LEU 119 CO 1.27 1.02 -0.65 -0.69 -0.34 0.00 0.00 178.44 179.05 1x23 s VAL 120 N -3.74 2.48 0.29 1.05 1.01 -0.95 -4.95 120.40 115.59 1x23 s VAL 120 Ca -0.06 -3.16 0.03 0.00 0.00 0.00 0.00 61.98 58.79 1x23 s VAL 120 Cb 0.11 -2.74 0.31 0.00 0.00 0.00 0.00 36.38 34.07 1x23 s VAL 120 CO 0.83 -0.78 1.65 -0.65 0.00 0.00 0.00 175.10 176.15 1x23 h PRO 121 N 6.64 0.21 -0.87 2.72 0.11 -1.88 -1.18 132.00 137.76 1x23 h PRO 121 Ca -0.07 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.04 1x23 h PRO 121 Cb 0.91 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.93 1x23 h PRO 121 CO 0.66 0.14 0.57 1.49 -0.21 0.00 0.00 178.00 180.65 1x23 h GLU 122 N 0.21 1.13 0.02 1.05 4.81 -1.95 -2.14 114.58 117.72 1x23 h GLU 122 Ca 0.57 -0.07 -0.26 0.00 -0.13 0.00 0.00 59.36 59.46 1x23 h GLU 122 Cb 1.15 -0.25 0.02 0.00 0.63 0.00 0.00 28.75 30.30 1x23 h GLU 122 CO -0.66 0.75 -1.06 0.82 -0.73 0.00 0.00 179.01 178.13 1x23 h ILE 123 N 1.16 1.31 -0.82 2.32 2.04 -1.60 -0.34 117.51 121.58 1x23 h ILE 123 Ca 0.32 -2.34 0.24 0.00 1.00 0.00 0.00 64.86 64.08 1x23 h ILE 123 Cb -0.12 2.45 -0.03 0.00 -0.74 0.00 0.00 36.82 38.38 1x23 h ILE 123 CO -0.08 0.72 0.62 0.00 0.00 0.00 0.00 178.15 179.41 1x23 h ALA 124 N 0.47 2.74 0.11 1.87 0.00 -1.38 0.22 119.26 123.29 1x23 h ALA 124 Ca -0.13 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.45 1x23 h ALA 124 Cb 1.71 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 1x23 h ALA 124 CO 0.20 -1.04 -1.57 -0.09 0.00 0.00 0.00 179.25 176.75 1x23 h ARG 125 N 0.00 0.24 -0.34 0.00 2.43 -0.95 -3.24 114.38 112.52 1x23 h ARG 125 Ca 0.39 -0.41 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1x23 h ARG 125 Cb 1.63 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 31.31 1x23 h ARG 125 CO -0.00 1.20 0.10 0.82 -1.51 0.00 0.00 179.97 180.57 1x23 h ILE 126 N -0.25 1.15 0.14 1.20 1.08 -0.86 -2.53 117.51 117.44 1x23 h ILE 126 Ca -0.34 -0.51 0.00 0.00 -0.39 0.00 0.00 64.86 63.62 1x23 h ILE 126 Cb 1.81 0.78 -0.01 0.00 -3.07 0.00 0.00 36.82 36.33 1x23 h ILE 126 CO 0.05 0.19 -0.15 0.22 -0.69 0.00 0.00 178.15 177.77 1x23 h TYR 127 N 0.49 -0.38 0.38 1.37 3.20 -0.63 -0.72 116.97 120.68 1x23 h TYR 127 Ca 0.12 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 1x23 h TYR 127 Cb 0.16 0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.58 1x23 h TYR 127 CO 0.01 -0.22 -0.18 0.87 -1.64 0.00 0.00 178.16 176.99 1x23 h LYS 128 N -0.32 -0.49 0.00 1.82 1.57 -1.57 -3.36 116.57 114.23 1x23 h LYS 128 Ca 0.01 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1x23 h LYS 128 Cb 0.30 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1x23 h LYS 128 CO -0.04 -0.21 -0.20 1.79 -0.57 0.00 0.00 179.45 180.22 1x23 h THR 129 N -1.03 0.13 -1.86 -0.16 1.35 -1.48 -3.40 112.91 106.45 1x23 h THR 129 Ca -0.05 -1.19 -0.40 0.00 -0.55 0.00 0.00 66.41 64.22 1x23 h THR 129 Cb 0.51 2.01 -0.30 0.00 -1.73 0.00 0.00 68.15 68.63 1x23 h THR 129 CO 0.09 0.07 -0.76 -0.62 -0.25 0.00 0.00 175.52 174.05 1x23 s ASP 130 N -6.15 0.53 0.10 5.36 -1.08 -0.28 -5.03 116.67 110.11 1x23 s ASP 130 Ca 0.06 -2.28 -0.11 0.00 -0.52 0.00 0.00 52.55 49.69 1x23 s ASP 130 Cb 0.06 0.50 -0.18 0.00 -1.46 0.00 0.00 42.92 41.84 1x23 s ASP 130 CO 0.70 -0.16 1.24 -0.09 0.52 0.00 0.00 175.17 177.37 1x23 h ARG 131 N 5.84 0.63 0.00 4.34 9.65 -1.70 -2.23 114.38 130.91 1x23 h ARG 131 Ca 0.15 -0.65 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 1x23 h ARG 131 Cb 1.01 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.77 1x23 h ARG 131 CO 0.22 1.25 0.00 -3.47 2.80 0.00 0.00 179.97 180.77 1x23 n ASP 132 N -3.83 0.00 0.01 -3.80 2.03 -1.26 -0.73 116.55 108.97 1x23 n ASP 132 Ca -0.09 0.26 -0.21 0.00 0.52 0.00 0.00 54.79 55.27 1x23 n ASP 132 Cb 0.85 -0.40 -0.14 0.00 -0.72 0.00 0.00 41.12 40.71 1x23 n ASP 132 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1x23 h LYS 133 N 0.00 0.23 -0.32 -0.67 3.64 -1.86 -3.14 116.57 114.46 1x23 h LYS 133 Ca 0.00 -0.39 0.04 0.00 -1.27 0.00 0.00 60.65 59.02 1x23 h LYS 133 Cb 0.30 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 1x23 h LYS 133 CO 0.00 1.19 0.10 -0.92 -2.27 0.00 0.00 179.45 177.55 1x23 h TYR 134 N -0.39 0.17 -0.29 1.91 5.03 -0.95 -1.72 116.97 120.73 1x23 h TYR 134 Ca -0.26 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.06 1x23 h TYR 134 Cb 1.68 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 39.91 1x23 h TYR 134 CO 0.14 0.07 0.15 -0.97 -1.32 0.00 0.00 178.16 176.24 1x23 h ASN 135 N 0.23 0.34 0.04 -2.11 -0.73 -1.09 -0.44 115.58 111.83 1x23 h ASN 135 Ca 0.14 -0.02 -0.17 0.00 1.87 0.00 0.00 56.30 58.13 1x23 h ASN 135 Cb 0.13 -0.09 0.02 0.00 0.27 0.00 0.00 38.32 38.65 1x23 h ASN 135 CO -0.16 0.28 -0.68 -0.09 -0.37 0.00 0.00 177.43 176.41 1x23 h ARG 136 N 0.40 0.39 -0.01 6.67 2.43 -1.44 -2.53 114.38 120.28 1x23 h ARG 136 Ca 0.10 -0.47 -0.17 0.00 -0.81 0.00 0.00 59.98 58.63 1x23 h ARG 136 Cb 0.02 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1x23 h ARG 136 CO -0.02 1.15 -0.78 0.82 -1.51 0.00 0.00 179.97 179.63 1x23 h ILE 137 N -0.17 1.49 0.12 1.20 2.04 -1.25 -2.81 117.51 118.14 1x23 h ILE 137 Ca -0.10 -2.48 0.01 0.00 1.00 0.00 0.00 64.86 63.28 1x23 h ILE 137 Cb 1.43 2.35 -0.02 0.00 -0.74 0.00 0.00 36.82 39.84 1x23 h ILE 137 CO 0.13 0.72 -0.14 0.28 0.00 0.00 0.00 178.15 179.14 1x23 h SER 138 N 0.08 -0.38 -0.70 1.72 0.02 -1.18 -3.16 113.55 109.94 1x23 h SER 138 Ca -0.02 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1x23 h SER 138 Cb 1.37 0.14 -0.03 0.00 0.14 0.00 0.00 62.40 64.02 1x23 h SER 138 CO 0.11 -0.22 0.33 0.03 -1.14 0.00 0.00 176.83 175.95 1x23 h ARG 139 N -0.30 1.03 -0.14 3.45 3.08 -1.39 -3.15 114.38 116.96 1x23 h ARG 139 Ca 0.01 -0.15 -0.18 0.00 0.07 0.00 0.00 59.98 59.73 1x23 h ARG 139 Cb 0.30 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1x23 h ARG 139 CO -0.05 0.81 -0.64 1.49 -1.07 0.00 0.00 179.97 180.50 1x23 h GLU 140 N 1.03 0.53 -0.12 0.04 4.57 -1.55 -2.96 114.58 116.13 1x23 h GLU 140 Ca 0.25 -0.38 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 1x23 h GLU 140 Cb 0.13 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 1x23 h GLU 140 CO -0.03 1.00 0.05 -1.49 -1.18 0.00 0.00 179.01 177.36 1x23 h TRP 141 N 0.39 0.15 -0.21 0.92 4.06 -1.51 -2.46 115.95 117.28 1x23 h TRP 141 Ca -0.01 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.91 1x23 h TRP 141 Cb 1.21 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 29.31 1x23 h TRP 141 CO 0.05 0.12 0.04 1.15 -3.56 0.00 0.00 178.44 176.24 1x23 h THR 142 N 0.16 1.22 -0.69 1.49 2.02 -1.48 -0.36 112.91 115.28 1x23 h THR 142 Ca 0.04 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 1x23 h THR 142 Cb 0.03 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 1x23 h THR 142 CO -0.01 0.23 0.41 1.56 0.37 0.00 0.00 175.52 178.08 1x23 h GLN 143 N 0.15 0.94 0.03 6.66 1.08 -1.54 -1.55 115.11 120.89 1x23 h GLN 143 Ca 0.07 -0.09 -0.26 0.00 -1.45 0.00 0.00 58.65 56.91 1x23 h GLN 143 Cb 0.31 -0.19 0.02 0.00 -0.05 0.00 0.00 27.48 27.56 1x23 h GLN 143 CO 0.00 0.68 -1.06 0.87 -0.95 0.00 0.00 178.83 178.38 1x23 h LYS 144 N 0.94 0.57 0.00 1.46 1.79 -1.26 -3.35 116.57 116.72 1x23 h LYS 144 Ca 0.25 -0.65 -0.11 0.00 -2.18 0.00 0.00 60.65 57.96 1x23 h LYS 144 Cb -0.01 0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 1x23 h LYS 144 CO -0.04 1.26 -1.73 0.66 -1.08 0.00 0.00 179.45 178.51 1x23 n TYR 145 N -3.79 0.00 -0.34 -1.35 4.01 -0.16 -4.67 117.16 110.86 1x23 n TYR 145 Ca -0.10 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.71 1x23 n TYR 145 Cb 0.89 -0.45 0.19 0.00 -0.31 0.00 0.00 39.34 39.66 1x23 n TYR 145 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1x23 n ALA 146 N -2.20 2.36 0.14 -0.72 0.00 -0.58 -4.82 120.51 114.69 1x23 n ALA 146 Ca -0.11 -1.37 0.02 0.00 0.00 0.00 0.00 53.44 51.98 1x23 n ALA 146 Cb 0.61 -0.53 0.01 0.00 0.00 0.00 0.00 19.45 19.55 1x23 n ALA 146 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17