#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r50 s ASN 4 N 0.00 4.85 0.52 0.41 0.02 -1.26 -4.95 114.94 114.54 1r50 s ASN 4 Ca 0.00 2.05 -0.22 0.00 -1.02 0.00 0.00 52.86 53.68 1r50 s ASN 4 Cb 0.00 -2.56 -0.05 0.00 0.02 0.00 0.00 41.25 38.66 1r50 s ASN 4 CO 0.00 -1.81 1.26 -2.16 0.02 0.00 0.00 177.10 174.41 1r50 s PRO 5 N -4.13 3.33 -0.18 -0.60 0.04 -1.26 -4.68 135.00 127.52 1r50 s PRO 5 Ca 0.68 1.98 -0.05 0.00 0.04 0.00 0.00 61.00 63.65 1r50 s PRO 5 Cb -0.22 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 1r50 s PRO 5 CO 0.44 -0.96 -0.00 0.08 0.04 0.00 0.00 177.00 176.59 1r50 s VAL 6 N -1.45 4.10 -0.24 -0.36 1.01 -0.64 -1.41 120.40 121.41 1r50 s VAL 6 Ca 0.70 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 62.33 1r50 s VAL 6 Cb -0.34 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 1r50 s VAL 6 CO 0.40 0.46 0.07 -0.69 0.00 0.00 0.00 175.10 175.34 1r50 s VAL 7 N 0.59 4.40 -0.21 2.92 1.01 -0.13 -0.43 120.40 128.54 1r50 s VAL 7 Ca -0.01 -0.15 -0.08 0.00 0.00 0.00 0.00 61.98 61.74 1r50 s VAL 7 Cb -0.14 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1r50 s VAL 7 CO 0.02 0.36 0.09 -0.04 0.00 0.00 0.00 175.10 175.53 1r50 s MET 8 N 1.42 3.93 -0.27 2.72 -1.94 0.27 -1.64 119.30 123.79 1r50 s MET 8 Ca 0.05 -0.35 -0.01 0.00 -1.71 0.00 0.00 55.69 53.67 1r50 s MET 8 Cb -0.15 -3.32 0.04 0.00 2.01 0.00 0.00 34.83 33.41 1r50 s MET 8 CO 0.04 0.12 -0.04 0.08 -0.01 0.00 0.00 175.02 175.20 1r50 s VAL 9 N 0.82 2.84 0.84 -6.03 1.01 -0.20 -2.16 120.40 117.53 1r50 s VAL 9 Ca 0.05 -1.24 -0.12 0.00 0.00 0.00 0.00 61.98 60.66 1r50 s VAL 9 Cb -0.13 -2.54 0.12 0.00 0.00 0.00 0.00 36.38 33.82 1r50 s VAL 9 CO 0.02 0.05 1.21 -1.38 0.00 0.00 0.00 175.10 175.00 1r50 s HIS 10 N 1.27 2.51 0.00 5.22 -3.43 -1.26 -1.65 115.29 117.95 1r50 s HIS 10 Ca -0.03 0.57 0.00 0.00 -0.80 0.00 0.00 55.06 54.80 1r50 s HIS 10 Cb -0.18 -3.65 0.00 0.00 -1.43 0.00 0.00 32.58 27.32 1r50 s HIS 10 CO -0.03 -2.01 0.00 0.41 -2.00 0.00 0.00 174.74 171.11 1r50 n GLY 11 N -3.41 2.29 3.68 -1.38 0.00 -1.18 -3.37 105.19 101.82 1r50 n GLY 11 Ca 0.10 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 1r50 n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r50 s ILE 12 N 1.40 2.93 -0.20 -0.61 1.01 -1.26 -0.89 121.20 123.57 1r50 s ILE 12 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.94 1r50 s ILE 12 Cb 0.00 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.29 1r50 s ILE 12 CO 0.00 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.54 1r50 n GLY 13 N 4.18 0.51 3.95 6.18 0.00 -1.14 -5.01 105.19 113.87 1r50 n GLY 13 Ca 0.17 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 1r50 n GLY 13 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r50 s GLY 14 N -2.30 1.78 0.12 -0.02 0.00 -0.07 -5.11 107.32 101.71 1r50 s GLY 14 Ca 0.00 -1.38 -0.15 0.00 0.00 0.00 0.00 44.72 43.20 1r50 s GLY 14 CO 0.00 -0.66 0.36 0.00 0.00 0.00 0.00 173.10 172.80 1r50 s ALA 15 N -3.67 -0.78 0.26 3.20 0.00 -1.26 -4.92 121.76 114.60 1r50 s ALA 15 Ca 0.72 -0.18 -0.02 0.00 0.00 0.00 0.00 51.96 52.47 1r50 s ALA 15 Cb -0.04 0.66 0.45 0.00 0.00 0.00 0.00 23.12 24.19 1r50 s ALA 15 CO 0.50 -0.62 1.81 0.77 0.00 0.00 0.00 175.76 178.22 1r50 h SER 16 N 2.44 0.73 0.00 0.00 0.02 -1.93 -0.47 113.55 114.34 1r50 h SER 16 Ca -0.34 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1r50 h SER 16 Cb 1.24 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1r50 h SER 16 CO 0.48 0.40 0.00 2.22 -1.14 0.00 0.00 176.83 178.79 1r50 n PHE 17 N -4.72 0.00 0.26 3.45 -1.74 -1.26 -1.66 117.46 111.78 1r50 n PHE 17 Ca 0.15 0.00 0.10 0.00 -0.56 0.00 0.00 57.45 57.15 1r50 n PHE 17 Cb 0.31 0.00 0.68 0.00 1.52 0.00 0.00 39.48 41.99 1r50 n PHE 17 CO 0.00 0.00 0.00 -0.91 -0.56 0.00 0.00 176.76 175.29 1r50 h ASN 18 N 0.00 0.00 -0.49 5.98 2.35 -1.49 -1.74 115.58 120.19 1r50 h ASN 18 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1r50 h ASN 18 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1r50 h ASN 18 CO 0.00 0.12 0.00 0.49 -1.65 0.00 0.00 177.43 176.39 1r50 n PHE 19 N -3.94 0.65 -0.35 1.19 3.72 -0.66 -4.45 117.46 113.62 1r50 n PHE 19 Ca -0.02 -0.33 0.04 0.00 -0.05 0.00 0.00 57.45 57.09 1r50 n PHE 19 Cb 0.21 0.00 0.19 0.00 -0.94 0.00 0.00 39.48 38.94 1r50 n PHE 19 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1r50 h ALA 20 N 3.94 1.38 -0.21 4.37 0.00 -1.49 0.12 119.26 127.37 1r50 h ALA 20 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1r50 h ALA 20 Cb 0.67 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1r50 h ALA 20 CO 0.00 0.30 -0.07 0.78 0.00 0.00 0.00 179.25 180.26 1r50 h GLY 21 N 1.03 0.45 1.10 0.00 0.00 -1.80 -1.80 103.07 102.05 1r50 h GLY 21 Ca 0.44 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 1r50 h GLY 21 CO -0.22 0.35 0.17 -2.22 0.00 0.00 0.00 176.54 174.62 1r50 h ILE 22 N 0.12 1.26 -0.30 2.60 2.04 -1.59 -0.96 117.51 120.68 1r50 h ILE 22 Ca 0.05 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 1r50 h ILE 22 Cb 0.54 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1r50 h ILE 22 CO 0.02 0.37 0.11 0.11 0.00 0.00 0.00 178.15 178.76 1r50 h LYS 23 N 1.06 0.46 -0.83 2.37 1.57 -0.75 -0.44 116.57 120.01 1r50 h LYS 23 Ca 0.22 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1r50 h LYS 23 Cb 0.37 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 1r50 h LYS 23 CO 0.00 0.49 0.55 1.03 -0.57 0.00 0.00 179.45 180.95 1r50 h SER 24 N 0.33 0.94 0.19 0.86 0.87 -1.08 -1.13 113.55 114.52 1r50 h SER 24 Ca 0.10 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1r50 h SER 24 Cb 0.21 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1r50 h SER 24 CO -0.01 0.67 -0.09 0.22 -0.53 0.00 0.00 176.83 177.09 1r50 h TYR 25 N 1.10 -0.24 -0.85 2.24 3.20 -0.91 -2.14 116.97 119.37 1r50 h TYR 25 Ca 0.31 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.21 1r50 h TYR 25 Cb -0.10 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.20 1r50 h TYR 25 CO -0.02 -0.03 0.56 -0.07 -1.64 0.00 0.00 178.16 176.97 1r50 h LEU 26 N -0.41 0.91 -0.81 2.82 3.38 -0.86 -1.00 115.31 119.34 1r50 h LEU 26 Ca -0.03 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1r50 h LEU 26 Cb 0.32 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1r50 h LEU 26 CO 0.04 0.62 0.36 0.58 0.09 0.00 0.00 178.44 180.13 1r50 h VAL 27 N 1.05 1.26 0.00 1.22 2.07 -1.09 -0.86 116.25 119.90 1r50 h VAL 27 Ca 0.34 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1r50 h VAL 27 Cb 0.04 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1r50 h VAL 27 CO -0.10 0.32 0.00 0.77 0.02 0.00 0.00 177.57 178.58 1r50 h SER 28 N 1.16 0.00 -0.38 0.57 4.64 -0.52 -2.43 113.55 116.59 1r50 h SER 28 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1r50 h SER 28 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1r50 h SER 28 CO -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 1r50 n GLN 29 N -2.90 2.45 0.00 4.77 1.13 -0.48 -4.95 117.38 117.40 1r50 n GLN 29 Ca -0.00 -2.19 0.00 0.00 -1.94 0.00 0.00 57.00 52.87 1r50 n GLN 29 Cb 0.22 -1.51 0.00 0.00 0.11 0.00 0.00 30.24 29.06 1r50 n GLN 29 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1r50 n GLY 30 N 1.48 0.95 3.78 1.08 0.00 -0.91 -5.07 105.19 106.50 1r50 n GLY 30 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1r50 n GLY 30 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1r50 s TRP 31 N -2.00 3.58 -0.03 1.61 0.51 -0.45 -4.99 118.94 117.17 1r50 s TRP 31 Ca 0.00 1.74 -0.30 0.00 -2.12 0.00 0.00 56.10 55.42 1r50 s TRP 31 Cb 0.00 -3.00 -0.03 0.00 -0.81 0.00 0.00 33.47 29.63 1r50 s TRP 31 CO 0.00 -0.04 1.08 -1.12 -0.51 0.00 0.00 176.95 176.36 1r50 s SER 32 N -1.56 7.21 0.32 2.95 0.01 -1.26 -4.14 113.70 117.23 1r50 s SER 32 Ca 0.52 1.73 0.04 0.00 1.31 0.00 0.00 55.95 59.55 1r50 s SER 32 Cb -0.20 -2.57 0.65 0.00 0.21 0.00 0.00 66.02 64.11 1r50 s SER 32 CO 0.26 -0.42 1.87 -0.09 0.41 0.00 0.00 173.24 175.26 1r50 h ARG 33 N 7.03 0.86 0.00 12.44 9.65 -1.94 -0.13 114.38 142.28 1r50 h ARG 33 Ca -0.37 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.46 1r50 h ARG 33 Cb 1.19 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.57 1r50 h ARG 33 CO 0.82 0.57 0.00 -0.40 2.80 0.00 0.00 179.97 183.76 1r50 n ASP 34 N -4.57 0.00 -0.23 -3.80 5.75 -1.26 -2.82 116.55 109.62 1r50 n ASP 34 Ca 0.17 -1.64 0.08 0.00 -0.01 0.00 0.00 54.79 53.39 1r50 n ASP 34 Cb 0.36 0.00 0.14 0.00 -1.03 0.00 0.00 41.12 40.58 1r50 n ASP 34 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1r50 n LYS 35 N -0.63 1.97 -4.22 0.11 4.76 -0.06 -4.94 118.16 115.15 1r50 n LYS 35 Ca 0.06 -2.40 -0.34 0.00 -2.87 0.00 0.00 58.31 52.76 1r50 n LYS 35 Cb 0.03 -1.46 -0.15 0.00 -1.84 0.00 0.00 35.03 31.61 1r50 n LYS 35 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1r50 s LEU 36 N -2.43 2.47 -0.02 -0.35 1.43 -1.13 -1.61 118.68 117.04 1r50 s LEU 36 Ca 0.27 -0.51 0.05 0.00 -1.03 0.00 0.00 54.13 52.91 1r50 s LEU 36 Cb 0.23 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.86 1r50 s LEU 36 CO 0.04 0.03 -0.17 -0.31 0.23 0.00 0.00 176.35 176.17 1r50 s TYR 37 N 1.16 1.57 -0.27 0.29 2.02 0.43 -4.99 117.35 117.56 1r50 s TYR 37 Ca 0.01 -0.34 -0.03 0.00 -0.37 0.00 0.00 57.07 56.34 1r50 s TYR 37 Cb -0.14 -1.03 0.02 0.00 -0.40 0.00 0.00 41.96 40.41 1r50 s TYR 37 CO -0.05 -0.07 -0.01 0.00 -1.57 0.00 0.00 175.55 173.85 1r50 s ALA 38 N -0.27 2.83 0.38 3.71 0.00 -1.26 0.96 121.76 128.12 1r50 s ALA 38 Ca 0.04 -1.50 -0.27 0.00 0.00 0.00 0.00 51.96 50.23 1r50 s ALA 38 Cb -0.08 -1.88 -0.09 0.00 0.00 0.00 0.00 23.12 21.07 1r50 s ALA 38 CO 0.00 -0.92 1.24 0.54 0.00 0.00 0.00 175.76 176.62 1r50 s VAL 39 N 1.37 2.90 -0.13 0.00 0.11 -0.92 -4.95 120.40 118.79 1r50 s VAL 39 Ca 0.00 0.81 -0.11 0.00 -2.93 0.00 0.00 61.98 59.75 1r50 s VAL 39 Cb -0.17 -3.48 -0.05 0.00 -1.53 0.00 0.00 36.38 31.15 1r50 s VAL 39 CO -0.02 0.13 0.24 -1.81 -3.33 0.00 0.00 175.10 170.31 1r50 s ASP 40 N -0.84 6.45 0.07 3.54 1.01 -1.26 -4.78 116.67 120.86 1r50 s ASP 40 Ca 0.54 0.53 0.10 0.00 0.71 0.00 0.00 52.55 54.43 1r50 s ASP 40 Cb -0.35 -2.15 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 1r50 s ASP 40 CO 0.45 0.24 -0.26 -0.36 0.21 0.00 0.00 175.17 175.45 1r50 s PHE 41 N -0.23 2.33 -0.12 4.23 0.08 -1.26 -4.93 117.98 118.07 1r50 s PHE 41 Ca 0.16 -0.40 0.17 0.00 0.12 0.00 0.00 56.93 56.98 1r50 s PHE 41 Cb -0.13 -1.36 -0.17 0.00 -0.57 0.00 0.00 43.02 40.80 1r50 s PHE 41 CO 0.05 0.19 0.72 -2.67 -0.10 0.00 0.00 175.22 173.40 1r50 n TRP 42 N 1.54 0.84 -2.74 0.36 4.27 -1.26 -4.74 117.44 115.71 1r50 n TRP 42 Ca -0.17 0.28 -0.42 0.00 -3.89 0.00 0.00 57.50 53.30 1r50 n TRP 42 Cb 0.52 -1.05 -0.04 0.00 -1.36 0.00 0.00 31.31 29.38 1r50 n TRP 42 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1r50 s ASP 43 N -5.70 6.22 0.57 -0.67 -1.08 -1.26 -4.88 116.67 109.87 1r50 s ASP 43 Ca -0.04 -0.61 0.37 0.00 -0.52 0.00 0.00 52.55 51.75 1r50 s ASP 43 Cb 0.09 -2.48 1.85 0.00 -1.46 0.00 0.00 42.92 40.92 1r50 s ASP 43 CO 0.82 -1.53 2.13 0.11 0.52 0.00 0.00 175.17 177.22 1r50 h LYS 44 N 9.66 0.00 0.00 4.34 1.79 -1.99 -2.32 116.57 128.05 1r50 h LYS 44 Ca -0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 1r50 h LYS 44 Cb 1.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 1r50 h LYS 44 CO 1.20 0.00 -0.35 0.25 -1.08 0.00 0.00 179.45 179.47 1r50 n THR 45 N -2.95 0.02 -1.55 -0.16 -2.24 -1.26 -2.87 114.28 103.27 1r50 n THR 45 Ca -0.01 -0.02 -0.10 0.00 -2.27 0.00 0.00 64.05 61.65 1r50 n THR 45 Cb 0.16 -0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 1r50 n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r50 n GLY 46 N 1.49 0.83 3.75 3.38 0.00 -0.87 -4.78 105.19 108.99 1r50 n GLY 46 Ca 0.06 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 1r50 n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r50 s THR 47 N -2.42 2.04 0.22 2.61 -4.23 -1.26 -4.81 115.64 107.78 1r50 s THR 47 Ca 0.00 0.03 -0.09 0.00 -1.18 0.00 0.00 61.69 60.45 1r50 s THR 47 Cb 0.00 -3.02 0.18 0.00 1.34 0.00 0.00 72.50 71.00 1r50 s THR 47 CO 0.00 0.00 1.85 0.78 -0.54 0.00 0.00 174.62 176.71 1r50 h ASN 48 N 1.56 0.99 -0.71 3.99 2.35 -1.94 -0.50 115.58 121.31 1r50 h ASN 48 Ca -0.51 -0.08 0.04 0.00 -0.55 0.00 0.00 56.30 55.20 1r50 h ASN 48 Cb 1.30 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 39.37 1r50 h ASN 48 CO 0.58 0.78 0.44 0.22 -1.65 0.00 0.00 177.43 177.80 1r50 h TYR 49 N 1.13 0.82 0.17 1.19 5.03 -2.00 0.14 116.97 123.44 1r50 h TYR 49 Ca 0.29 0.02 -0.33 0.00 2.58 0.00 0.00 58.73 61.30 1r50 h TYR 49 Cb -0.02 -0.27 0.01 0.00 1.55 0.00 0.00 36.73 38.00 1r50 h TYR 49 CO -0.00 0.46 -1.58 -0.91 -1.32 0.00 0.00 178.16 174.81 1r50 h ASN 50 N 0.85 0.55 0.81 -2.11 2.35 -1.91 -3.39 115.58 112.74 1r50 h ASN 50 Ca 0.29 -0.73 -0.24 0.00 -0.55 0.00 0.00 56.30 55.07 1r50 h ASN 50 Cb 0.05 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1r50 h ASN 50 CO -0.12 1.61 -1.14 0.78 -1.65 0.00 0.00 177.43 176.90 1r50 h ASN 51 N 0.10 0.19 -0.16 5.81 4.21 -1.03 -3.36 115.58 121.34 1r50 h ASN 51 Ca -0.27 -0.21 0.05 0.00 1.21 0.00 0.00 56.30 57.08 1r50 h ASN 51 Cb 2.07 -0.06 -0.07 0.00 -1.12 0.00 0.00 38.32 39.14 1r50 h ASN 51 CO 0.19 1.16 -0.32 1.23 -1.29 0.00 0.00 177.43 178.41 1r50 h GLY 52 N 2.39 -0.41 1.34 2.83 0.00 -0.90 -0.33 103.07 107.98 1r50 h GLY 52 Ca -0.08 0.39 0.01 0.00 0.00 0.00 0.00 47.33 47.66 1r50 h GLY 52 CO 0.16 -0.22 0.42 -2.55 0.00 0.00 0.00 176.54 174.36 1r50 h PRO 53 N -0.38 0.81 -0.37 4.80 0.11 -1.77 -0.14 132.00 135.06 1r50 h PRO 53 Ca 0.10 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.08 1r50 h PRO 53 Cb 0.54 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1r50 h PRO 53 CO -0.37 0.54 -0.12 0.28 -0.21 0.00 0.00 178.00 178.12 1r50 h VAL 54 N 0.84 1.28 -0.65 3.15 2.07 -1.54 -1.08 116.25 120.32 1r50 h VAL 54 Ca 0.24 -1.21 -0.07 0.00 0.82 0.00 0.00 66.70 66.49 1r50 h VAL 54 Cb -0.05 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1r50 h VAL 54 CO -0.06 0.40 0.15 0.25 0.02 0.00 0.00 177.57 178.33 1r50 h LEU 55 N 0.52 1.00 -0.02 2.57 5.85 -0.59 -1.40 115.31 123.24 1r50 h LEU 55 Ca 0.09 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.58 1r50 h LEU 55 Cb 0.64 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1r50 h LEU 55 CO 0.04 0.98 -0.01 -1.28 -0.34 0.00 0.00 178.44 177.83 1r50 h SER 56 N 0.97 -0.04 -0.85 1.25 0.87 -0.84 -0.80 113.55 114.12 1r50 h SER 56 Ca 0.20 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.75 1r50 h SER 56 Cb 0.38 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.32 1r50 h SER 56 CO 0.00 -0.02 0.43 0.03 -0.53 0.00 0.00 176.83 176.75 1r50 h ARG 57 N -0.01 1.22 -0.15 2.24 3.08 -1.08 -2.39 114.38 117.28 1r50 h ARG 57 Ca 0.01 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 1r50 h ARG 57 Cb 0.03 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 1r50 h ARG 57 CO -0.03 0.92 -0.00 0.35 -1.07 0.00 0.00 179.97 180.14 1r50 h PHE 58 N 1.21 0.30 -0.97 3.04 3.57 -0.92 -2.55 116.94 120.62 1r50 h PHE 58 Ca 0.30 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.76 1r50 h PHE 58 Cb 0.08 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.70 1r50 h PHE 58 CO 0.01 0.50 0.64 0.28 -2.23 0.00 0.00 178.31 177.51 1r50 h VAL 59 N 0.02 1.22 -0.76 1.41 2.07 -1.06 -0.50 116.25 118.65 1r50 h VAL 59 Ca 0.04 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.14 1r50 h VAL 59 Cb 0.38 -0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 29.94 1r50 h VAL 59 CO 0.01 0.23 0.50 1.56 0.02 0.00 0.00 177.57 179.89 1r50 h GLN 60 N 1.27 0.98 -0.35 1.57 1.08 -1.34 -1.10 115.11 117.23 1r50 h GLN 60 Ca 0.37 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.43 1r50 h GLN 60 Cb -0.09 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.10 1r50 h GLN 60 CO -0.09 0.65 -0.11 0.87 -0.95 0.00 0.00 178.83 179.20 1r50 h LYS 61 N 1.01 0.59 -0.56 1.46 1.79 -0.86 0.17 116.57 120.17 1r50 h LYS 61 Ca 0.29 -0.18 -0.04 0.00 -2.18 0.00 0.00 60.65 58.54 1r50 h LYS 61 Cb -0.08 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.49 1r50 h LYS 61 CO -0.08 0.69 0.18 0.28 -1.08 0.00 0.00 179.45 179.45 1r50 h VAL 62 N 0.55 1.24 -0.33 0.50 2.07 -0.29 -0.39 116.25 119.59 1r50 h VAL 62 Ca 0.10 -0.79 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 1r50 h VAL 62 Cb 0.51 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1r50 h VAL 62 CO 0.03 0.30 -0.02 -0.07 0.02 0.00 0.00 177.57 177.83 1r50 h LEU 63 N 0.78 0.59 -0.43 2.57 3.38 -0.85 -0.90 115.31 120.46 1r50 h LEU 63 Ca 0.18 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1r50 h LEU 63 Cb 0.27 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1r50 h LEU 63 CO -0.01 0.77 0.29 0.44 0.09 0.00 0.00 178.44 180.02 1r50 h ASP 64 N 0.40 0.50 0.87 -0.43 3.32 -0.75 -0.18 116.42 120.15 1r50 h ASP 64 Ca 0.09 -0.01 -0.21 0.00 0.02 0.00 0.00 57.03 56.92 1r50 h ASP 64 Cb 0.48 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1r50 h ASP 64 CO 0.02 0.36 -0.97 -0.33 -1.72 0.00 0.00 179.24 176.61 1r50 h GLU 65 N 0.59 0.05 0.00 3.56 4.39 -1.04 -3.34 114.58 118.79 1r50 h GLU 65 Ca 0.16 -0.07 -0.13 0.00 0.34 0.00 0.00 59.36 59.66 1r50 h GLU 65 Cb -0.07 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1r50 h GLU 65 CO -0.03 0.97 -1.54 0.25 -1.16 0.00 0.00 179.01 177.50 1r50 n THR 66 N -3.45 0.89 -0.78 1.13 -2.24 -0.35 -4.96 114.28 104.52 1r50 n THR 66 Ca -0.01 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1r50 n THR 66 Cb 0.90 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 1r50 n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r50 n GLY 67 N 1.37 0.89 3.75 3.38 0.00 -0.08 -5.02 105.19 109.47 1r50 n GLY 67 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 1r50 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r50 s ALA 68 N -3.54 2.30 -0.05 4.61 0.00 -1.24 -4.95 121.76 118.89 1r50 s ALA 68 Ca 0.00 0.63 0.13 0.00 0.00 0.00 0.00 51.96 52.73 1r50 s ALA 68 Cb 0.00 -3.37 -0.17 0.00 0.00 0.00 0.00 23.12 19.58 1r50 s ALA 68 CO 0.00 -1.56 0.87 0.87 0.00 0.00 0.00 175.76 175.94 1r50 h LYS 69 N -0.23 0.00 -3.64 0.00 1.57 -1.95 -3.44 116.57 108.87 1r50 h LYS 69 Ca -0.47 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.24 1r50 h LYS 69 Cb 1.26 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.44 1r50 h LYS 69 CO 0.52 0.50 -0.23 0.15 -0.57 0.00 0.00 179.45 179.82 1r50 s LYS 70 N -2.75 1.00 0.32 3.15 1.02 -1.26 -4.80 119.74 116.42 1r50 s LYS 70 Ca -0.03 -0.90 0.09 0.00 0.02 0.00 0.00 55.97 55.16 1r50 s LYS 70 Cb 0.08 0.40 -0.05 0.00 -0.52 0.00 0.00 37.83 37.75 1r50 s LYS 70 CO 0.81 -0.36 0.01 0.14 -0.92 0.00 0.00 175.35 175.03 1r50 s VAL 71 N -3.86 2.89 0.15 3.17 -7.23 -0.12 -4.32 120.40 111.08 1r50 s VAL 71 Ca 0.06 -1.95 0.06 0.00 -1.81 0.00 0.00 61.98 58.34 1r50 s VAL 71 Cb 0.03 -2.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 1r50 s VAL 71 CO -0.09 -0.26 0.01 -1.81 -0.31 0.00 0.00 175.10 172.64 1r50 s ASP 72 N -3.71 4.92 -0.04 4.85 1.01 -0.50 -1.08 116.67 122.12 1r50 s ASP 72 Ca 0.34 -0.30 0.03 0.00 0.71 0.00 0.00 52.55 53.33 1r50 s ASP 72 Cb -0.03 -1.11 0.01 0.00 1.01 0.00 0.00 42.92 42.80 1r50 s ASP 72 CO 0.20 0.11 -0.11 -0.63 0.21 0.00 0.00 175.17 174.95 1r50 s ILE 73 N -1.59 0.99 -0.18 0.77 1.01 0.17 -0.96 121.20 121.41 1r50 s ILE 73 Ca 0.27 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.48 1r50 s ILE 73 Cb -0.10 -0.88 0.02 0.00 0.01 0.00 0.00 42.46 41.50 1r50 s ILE 73 CO 0.19 0.31 -0.18 -0.69 0.00 0.00 0.00 174.94 174.56 1r50 s VAL 74 N 0.32 2.24 0.04 2.92 1.01 -0.65 -0.43 120.40 125.84 1r50 s VAL 74 Ca -0.06 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.08 1r50 s VAL 74 Cb -0.11 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 1r50 s VAL 74 CO 0.02 0.53 -0.15 0.00 0.00 0.00 0.00 175.10 175.50 1r50 s ALA 75 N 1.27 1.21 -0.03 5.51 0.00 -0.01 -1.03 121.76 128.68 1r50 s ALA 75 Ca 0.04 -0.84 0.07 0.00 0.00 0.00 0.00 51.96 51.24 1r50 s ALA 75 Cb -0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 1r50 s ALA 75 CO -0.11 0.23 -0.25 -1.58 0.00 0.00 0.00 175.76 174.06 1r50 s HIS 76 N -0.83 2.24 0.00 0.00 5.65 -0.66 0.45 115.29 122.14 1r50 s HIS 76 Ca 0.02 -0.47 0.00 0.00 0.25 0.00 0.00 55.06 54.86 1r50 s HIS 76 Cb -0.08 -1.45 0.00 0.00 -1.18 0.00 0.00 32.58 29.88 1r50 s HIS 76 CO 0.01 -0.07 0.00 0.45 -0.65 0.00 0.00 174.74 174.48 1r50 n SER 77 N 2.57 0.00 0.32 9.88 2.88 -0.68 -0.59 113.62 128.00 1r50 n SER 77 Ca -0.16 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.58 1r50 n SER 77 Cb 0.52 0.00 1.11 0.00 -0.75 0.00 0.00 64.21 65.08 1r50 n SER 77 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1r50 h MET 78 N 0.00 0.00 -0.33 -1.46 1.85 -1.85 -0.93 114.93 112.21 1r50 h MET 78 Ca 0.00 0.00 0.06 0.00 -0.61 0.00 0.00 59.70 59.15 1r50 h MET 78 Cb 0.00 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.01 1r50 h MET 78 CO 0.00 0.00 0.23 0.78 -0.40 0.00 0.00 176.91 177.52 1r50 h GLY 79 N 0.00 0.25 0.94 1.39 0.00 -0.86 -1.06 103.07 103.74 1r50 h GLY 79 Ca 0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 1r50 h GLY 79 CO -0.00 0.06 0.08 -1.33 0.00 0.00 0.00 176.54 175.36 1r50 h GLY 80 N 0.20 0.73 0.94 4.60 0.00 -1.35 -0.66 103.07 107.54 1r50 h GLY 80 Ca 0.15 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1r50 h GLY 80 CO -0.03 0.44 0.17 0.00 0.00 0.00 0.00 176.54 177.12 1r50 h ALA 81 N 0.94 0.45 -0.70 3.60 0.00 -1.38 -1.46 119.26 120.71 1r50 h ALA 81 Ca 0.13 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1r50 h ALA 81 Cb 0.35 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1r50 h ALA 81 CO 0.00 0.01 0.44 -0.91 0.00 0.00 0.00 179.25 178.80 1r50 h ASN 82 N 0.42 0.73 -0.26 0.00 2.35 -1.12 -0.44 115.58 117.26 1r50 h ASN 82 Ca 0.12 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1r50 h ASN 82 Cb 0.12 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1r50 h ASN 82 CO -0.01 0.51 0.14 0.74 -1.65 0.00 0.00 177.43 177.15 1r50 h THR 83 N 0.87 1.13 -0.13 2.81 2.02 -0.86 -0.97 112.91 117.78 1r50 h THR 83 Ca 0.28 -0.37 -0.07 0.00 0.77 0.00 0.00 66.41 67.01 1r50 h THR 83 Cb 0.00 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1r50 h THR 83 CO -0.10 0.13 -0.26 -0.07 0.37 0.00 0.00 175.52 175.60 1r50 h LEU 84 N 0.30 0.22 -0.40 2.58 3.38 -0.95 -1.97 115.31 118.47 1r50 h LEU 84 Ca 0.09 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1r50 h LEU 84 Cb 0.09 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1r50 h LEU 84 CO -0.01 0.49 -0.16 0.22 0.09 0.00 0.00 178.44 179.07 1r50 h TYR 85 N 0.20 0.93 -0.56 1.13 5.03 -0.80 0.39 116.97 123.29 1r50 h TYR 85 Ca 0.03 -0.22 0.02 0.00 2.58 0.00 0.00 58.73 61.14 1r50 h TYR 85 Cb 0.57 -0.22 -0.03 0.00 1.55 0.00 0.00 36.73 38.60 1r50 h TYR 85 CO 0.01 0.97 0.36 -0.92 -1.32 0.00 0.00 178.16 177.26 1r50 h TYR 86 N 0.63 0.67 -0.17 -3.82 3.20 -0.85 0.22 116.97 116.85 1r50 h TYR 86 Ca 0.09 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.87 1r50 h TYR 86 Cb 0.71 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.75 1r50 h TYR 86 CO 0.05 0.40 -0.33 0.82 -1.64 0.00 0.00 178.16 177.47 1r50 h ILE 87 N 0.72 1.35 0.10 1.81 2.04 -1.13 -1.77 117.51 120.62 1r50 h ILE 87 Ca 0.22 -1.58 -0.00 0.00 1.00 0.00 0.00 64.86 64.50 1r50 h ILE 87 Cb -0.03 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1r50 h ILE 87 CO -0.07 0.48 -0.05 0.50 0.00 0.00 0.00 178.15 179.01 1r50 h LYS 88 N 0.17 -0.13 0.00 2.37 3.64 -0.07 -3.28 116.57 119.27 1r50 h LYS 88 Ca 0.01 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1r50 h LYS 88 Cb 0.93 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1r50 h LYS 88 CO 0.07 0.37 -1.37 0.09 -2.27 0.00 0.00 179.45 176.35 1r50 n ASN 89 N -4.84 0.55 0.00 4.20 4.13 0.75 -4.99 115.26 115.06 1r50 n ASN 89 Ca -0.07 -0.44 0.00 0.00 1.68 0.00 0.00 54.58 55.74 1r50 n ASN 89 Cb 0.28 1.31 0.00 0.00 -1.54 0.00 0.00 39.78 39.83 1r50 n ASN 89 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1r50 n LEU 90 N -1.89 0.00 -1.73 3.41 4.77 -0.90 -5.02 117.00 115.63 1r50 n LEU 90 Ca 0.01 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 1r50 n LEU 90 Cb 0.44 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 41.89 1r50 n LEU 90 CO 0.43 0.00 0.88 -0.90 -1.33 0.00 0.00 177.39 176.47 1r50 n ASP 91 N 0.00 5.22 0.04 -1.43 5.75 -1.20 -4.53 116.55 120.41 1r50 n ASP 91 Ca 0.00 -3.02 0.13 0.00 -0.01 0.00 0.00 54.79 51.89 1r50 n ASP 91 Cb 0.00 -0.67 0.52 0.00 -1.03 0.00 0.00 41.12 39.93 1r50 n ASP 91 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1r50 n GLY 92 N 0.25 -1.54 0.46 6.12 0.00 -0.72 -4.17 105.19 105.60 1r50 n GLY 92 Ca 0.29 -0.06 0.28 0.00 0.00 0.00 0.00 46.02 46.53 1r50 n GLY 92 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1r50 h GLY 93 N 4.57 0.00 -0.07 -0.02 0.00 -1.77 -2.02 103.07 103.77 1r50 h GLY 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1r50 h GLY 93 CO 0.00 0.00 -0.04 1.16 0.00 0.00 0.00 176.54 177.66 1r50 n ASN 94 N -4.18 2.17 -0.01 0.19 6.94 -1.26 -0.89 115.26 118.22 1r50 n ASN 94 Ca 0.18 -2.99 0.00 0.00 -0.02 0.00 0.00 54.58 51.75 1r50 n ASN 94 Cb 0.96 -0.40 0.00 0.00 -2.36 0.00 0.00 39.78 37.97 1r50 n ASN 94 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1r50 n LYS 95 N -1.31 1.29 -5.26 -3.83 5.02 -0.76 -4.91 118.16 108.39 1r50 n LYS 95 Ca 0.14 -0.37 -0.31 0.00 -2.02 0.00 0.00 58.31 55.76 1r50 n LYS 95 Cb 0.64 -0.86 -0.16 0.00 -0.02 0.00 0.00 35.03 34.62 1r50 n LYS 95 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r50 s VAL 96 N -0.30 2.12 -0.07 -0.18 1.01 -1.20 -0.94 120.40 120.83 1r50 s VAL 96 Ca 0.00 -1.06 -0.09 0.00 0.00 0.00 0.00 61.98 60.83 1r50 s VAL 96 Cb 0.00 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1r50 s VAL 96 CO 0.00 0.58 -0.18 0.00 0.00 0.00 0.00 175.10 175.50 1r50 n ALA 97 N 2.68 1.21 -2.86 5.51 0.00 -0.24 -4.65 120.51 122.16 1r50 n ALA 97 Ca -0.17 -0.47 -0.33 0.00 0.00 0.00 0.00 53.44 52.47 1r50 n ALA 97 Cb 0.52 0.06 -0.15 0.00 0.00 0.00 0.00 19.45 19.88 1r50 n ALA 97 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1r50 s ASN 98 N -5.39 3.78 -0.09 0.00 0.01 -1.26 -1.44 114.94 110.55 1r50 s ASN 98 Ca -0.15 -0.34 0.04 0.00 -0.71 0.00 0.00 52.86 51.70 1r50 s ASN 98 Cb 0.02 -1.25 0.00 0.00 0.41 0.00 0.00 41.25 40.44 1r50 s ASN 98 CO 0.22 0.23 -0.22 -0.69 -1.51 0.00 0.00 177.10 175.13 1r50 s VAL 99 N -0.05 1.87 -0.11 1.60 1.01 0.24 -0.66 120.40 124.31 1r50 s VAL 99 Ca -0.04 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1r50 s VAL 99 Cb -0.14 -1.62 0.02 0.00 0.00 0.00 0.00 36.38 34.64 1r50 s VAL 99 CO 0.04 0.52 -0.09 -0.69 0.00 0.00 0.00 175.10 174.88 1r50 s VAL 100 N 0.31 1.07 0.04 2.92 1.01 0.42 -1.06 120.40 125.11 1r50 s VAL 100 Ca -0.15 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1r50 s VAL 100 Cb -0.17 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1r50 s VAL 100 CO 0.07 0.37 -0.07 0.42 0.00 0.00 0.00 175.10 175.89 1r50 s THR 101 N 1.53 3.61 -0.26 3.92 -4.23 -0.21 -0.83 115.64 119.16 1r50 s THR 101 Ca 0.02 -0.92 0.03 0.00 -1.18 0.00 0.00 61.69 59.64 1r50 s THR 101 Cb -0.13 -2.62 0.06 0.00 1.34 0.00 0.00 72.50 71.16 1r50 s THR 101 CO -0.07 0.30 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.46 1r50 s LEU 102 N -1.70 3.51 -1.50 4.79 1.43 0.17 -1.04 118.68 124.34 1r50 s LEU 102 Ca 0.19 -1.44 -0.13 0.00 -1.03 0.00 0.00 54.13 51.72 1r50 s LEU 102 Cb -0.11 -1.54 0.07 0.00 0.03 0.00 0.00 46.19 44.64 1r50 s LEU 102 CO 0.10 -0.21 0.97 0.61 0.23 0.00 0.00 176.35 178.06 1r50 n GLY 103 N 4.43 -0.51 3.75 -3.19 0.00 0.02 -1.69 105.19 108.00 1r50 n GLY 103 Ca -0.13 0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1r50 n GLY 103 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r50 s GLY 104 N -3.24 2.71 -0.33 -0.02 0.00 -1.26 -3.15 107.32 102.02 1r50 s GLY 104 Ca 0.63 1.12 -0.04 0.00 0.00 0.00 0.00 44.72 46.43 1r50 s GLY 104 CO 0.78 1.93 2.97 0.00 0.00 0.00 0.00 173.10 178.78 1r50 n ALA 105 N 1.88 6.40 -0.29 3.20 0.00 -0.65 -3.17 120.51 127.87 1r50 n ALA 105 Ca 0.03 -2.70 0.05 0.00 0.00 0.00 0.00 53.44 50.83 1r50 n ALA 105 Cb 0.43 -2.17 0.20 0.00 0.00 0.00 0.00 19.45 17.91 1r50 n ALA 105 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1r50 h ASN 106 N 2.95 0.59 0.23 0.00 2.35 -1.66 -2.29 115.58 117.75 1r50 h ASN 106 Ca 0.34 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 1r50 h ASN 106 Cb 0.93 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.27 1r50 h ASN 106 CO 0.71 0.29 0.00 0.54 -1.65 0.00 0.00 177.43 177.32 1r50 n ARG 107 N -4.82 0.16 0.16 0.81 1.74 -0.08 -1.15 116.66 113.48 1r50 n ARG 107 Ca 0.16 0.18 0.13 0.00 -0.77 0.00 0.00 57.85 57.54 1r50 n ARG 107 Cb 0.37 -1.50 0.55 0.00 -1.02 0.00 0.00 32.46 30.86 1r50 n ARG 107 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1r50 h LEU 108 N 0.00 0.00 0.00 0.55 3.38 -1.69 -3.30 115.31 114.24 1r50 h LEU 108 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1r50 h LEU 108 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1r50 h LEU 108 CO 0.00 0.00 -0.68 0.41 0.09 0.00 0.00 178.44 178.26 1r50 n THR 109 N -2.37 1.10 -3.51 0.22 -1.04 -0.30 -5.10 114.28 103.28 1r50 n THR 109 Ca 0.01 0.19 -0.11 0.00 -2.04 0.00 0.00 64.05 62.10 1r50 n THR 109 Cb 0.20 -1.79 -0.03 0.00 -1.82 0.00 0.00 70.33 66.89 1r50 n THR 109 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1r50 s THR 110 N -2.27 0.03 -1.61 12.58 -1.32 -0.84 -5.01 115.64 117.18 1r50 s THR 110 Ca -0.11 -0.25 0.16 0.00 -1.21 0.00 0.00 61.69 60.27 1r50 s THR 110 Cb 0.02 -1.08 0.32 0.00 -1.51 0.00 0.00 72.50 70.25 1r50 s THR 110 CO 0.15 -0.14 1.23 0.61 -2.21 0.00 0.00 174.62 174.26 1r50 n GLY 111 N -0.31 1.66 3.53 6.08 0.00 -1.26 -3.26 105.19 111.62 1r50 n GLY 111 Ca -0.16 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 1r50 n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1r50 s LYS 112 N -1.14 2.26 -1.10 1.61 2.20 -1.26 -0.43 119.74 121.87 1r50 s LYS 112 Ca 0.28 -0.89 -0.21 0.00 -0.36 0.00 0.00 55.97 54.78 1r50 s LYS 112 Cb 0.16 -2.32 0.06 0.00 -1.51 0.00 0.00 37.83 34.21 1r50 s LYS 112 CO 0.22 0.56 1.53 0.00 -0.36 0.00 0.00 175.35 177.30 1r50 s ALA 113 N -1.00 2.92 0.04 3.13 0.00 -0.45 -4.78 121.76 121.62 1r50 s ALA 113 Ca 0.17 -2.48 -0.33 0.00 0.00 0.00 0.00 51.96 49.32 1r50 s ALA 113 Cb -0.11 -4.55 -0.12 0.00 0.00 0.00 0.00 23.12 18.34 1r50 s ALA 113 CO 0.07 -3.50 1.81 1.28 0.00 0.00 0.00 175.76 175.42 1r50 n LEU 114 N 8.67 3.59 0.21 0.00 4.77 -1.26 -4.90 117.00 128.08 1r50 n LEU 114 Ca 0.38 0.99 0.05 0.00 -0.03 0.00 0.00 56.01 57.40 1r50 n LEU 114 Cb 0.49 -1.44 0.48 0.00 -2.33 0.00 0.00 43.42 40.62 1r50 n LEU 114 CO 0.69 -0.02 0.84 1.55 -1.33 0.00 0.00 177.39 179.11 1r50 h PRO 115 N 8.43 0.00 0.00 3.23 0.13 -1.93 -3.40 132.00 138.46 1r50 h PRO 115 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1r50 h PRO 115 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1r50 h PRO 115 CO 0.93 0.25 0.00 0.41 -0.23 0.00 0.00 178.00 179.36 1r50 n GLY 116 N -0.73 -1.79 0.22 1.56 0.00 -1.26 -1.02 105.19 102.18 1r50 n GLY 116 Ca -0.02 -1.96 0.03 0.00 0.00 0.00 0.00 46.02 44.07 1r50 n GLY 116 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r50 n THR 117 N 0.00 1.13 -3.25 2.61 -2.24 -0.07 -4.91 114.28 107.55 1r50 n THR 117 Ca 0.00 -1.15 -0.44 0.00 -2.27 0.00 0.00 64.05 60.19 1r50 n THR 117 Cb 0.00 0.40 -0.06 0.00 -2.10 0.00 0.00 70.33 68.57 1r50 n THR 117 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1r50 s ASP 118 N -1.20 6.19 0.56 3.42 -1.08 -1.25 -4.85 116.67 118.45 1r50 s ASP 118 Ca 0.11 -1.20 0.37 0.00 -0.52 0.00 0.00 52.55 51.31 1r50 s ASP 118 Cb 0.07 -2.24 1.92 0.00 -1.46 0.00 0.00 42.92 41.21 1r50 s ASP 118 CO 0.05 -0.82 2.13 1.55 0.52 0.00 0.00 175.17 178.60 1r50 h PRO 119 N 8.92 0.00 -0.02 4.34 0.13 -1.96 -1.94 132.00 141.47 1r50 h PRO 119 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1r50 h PRO 119 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1r50 h PRO 119 CO 0.95 0.00 -0.03 0.09 -0.23 0.00 0.00 178.00 178.79 1r50 n ASN 120 N -2.87 1.90 -3.15 1.44 5.03 -1.26 -4.82 115.26 111.53 1r50 n ASN 120 Ca -0.02 -1.60 0.05 0.00 0.87 0.00 0.00 54.58 53.88 1r50 n ASN 120 Cb 0.11 0.02 -0.01 0.00 -1.02 0.00 0.00 39.78 38.88 1r50 n ASN 120 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 1r50 s GLN 121 N -2.04 0.32 0.37 3.52 0.74 -0.73 -5.15 119.66 116.69 1r50 s GLN 121 Ca 0.34 0.53 -0.25 0.00 0.05 0.00 0.00 55.36 56.03 1r50 s GLN 121 Cb 0.21 0.29 -0.09 0.00 1.10 0.00 0.00 33.01 34.51 1r50 s GLN 121 CO 0.34 -0.39 1.01 0.15 -0.55 0.00 0.00 175.29 175.86 1r50 s LYS 122 N 2.92 4.35 0.22 1.67 1.02 -1.26 -4.47 119.74 124.19 1r50 s LYS 122 Ca 0.09 1.45 -0.30 0.00 0.02 0.00 0.00 55.97 57.23 1r50 s LYS 122 Cb -0.11 -2.66 -0.09 0.00 -0.52 0.00 0.00 37.83 34.45 1r50 s LYS 122 CO -0.16 0.03 1.35 0.42 -0.92 0.00 0.00 175.35 176.07 1r50 s ILE 123 N -1.63 3.01 -0.10 2.17 1.01 -0.19 -4.99 121.20 120.49 1r50 s ILE 123 Ca 0.54 0.85 -0.04 0.00 0.00 0.00 0.00 60.65 62.00 1r50 s ILE 123 Cb -0.21 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1r50 s ILE 123 CO 0.27 0.13 0.06 -0.76 0.00 0.00 0.00 174.94 174.63 1r50 s LEU 124 N -0.27 3.89 0.07 2.97 1.43 -0.52 -4.65 118.68 121.60 1r50 s LEU 124 Ca 0.57 0.26 0.08 0.00 -1.03 0.00 0.00 54.13 54.01 1r50 s LEU 124 Cb -0.38 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 1r50 s LEU 124 CO 0.40 0.38 -0.21 -0.31 0.23 0.00 0.00 176.35 176.83 1r50 s TYR 125 N -0.85 1.86 -0.13 0.29 1.51 -0.35 -0.60 117.35 119.08 1r50 s TYR 125 Ca 0.13 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.78 1r50 s TYR 125 Cb -0.12 -1.07 0.04 0.00 -0.11 0.00 0.00 41.96 40.71 1r50 s TYR 125 CO 0.03 0.15 0.02 0.99 -1.11 0.00 0.00 175.55 175.64 1r50 s THR 126 N -0.96 0.40 -0.33 -0.71 2.01 -0.22 -1.44 115.64 114.40 1r50 s THR 126 Ca 0.08 -0.20 -0.06 0.00 0.31 0.00 0.00 61.69 61.82 1r50 s THR 126 Cb -0.09 -0.76 0.04 0.00 0.01 0.00 0.00 72.50 71.70 1r50 s THR 126 CO 0.03 0.01 0.08 -0.55 -0.69 0.00 0.00 174.62 173.50 1r50 s SER 127 N 1.94 5.21 -0.20 3.53 0.15 -0.25 -1.05 113.70 123.04 1r50 s SER 127 Ca 0.02 -1.11 -0.10 0.00 0.70 0.00 0.00 55.95 55.46 1r50 s SER 127 Cb -0.15 -1.84 -0.05 0.00 -1.71 0.00 0.00 66.02 62.27 1r50 s SER 127 CO -0.07 -0.30 0.12 -0.63 1.20 0.00 0.00 173.24 173.57 1r50 s ILE 128 N 1.39 5.35 0.04 6.45 1.01 -0.20 -0.79 121.20 134.44 1r50 s ILE 128 Ca -0.02 0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.69 1r50 s ILE 128 Cb -0.19 -3.44 0.01 0.00 0.01 0.00 0.00 42.46 38.85 1r50 s ILE 128 CO 0.02 0.45 0.23 -0.72 0.00 0.00 0.00 174.94 174.92 1r50 s TYR 129 N 0.32 -0.01 -0.05 3.97 1.13 -0.70 -0.80 117.35 121.22 1r50 s TYR 129 Ca 0.08 -0.16 0.04 0.00 -1.41 0.00 0.00 57.07 55.61 1r50 s TYR 129 Cb -0.11 0.02 -0.02 0.00 -1.10 0.00 0.00 41.96 40.74 1r50 s TYR 129 CO -0.02 -0.45 -0.16 0.45 -2.51 0.00 0.00 175.55 172.87 1r50 s SER 130 N -2.02 3.90 0.58 -0.18 0.15 -1.26 -0.69 113.70 114.18 1r50 s SER 130 Ca -0.06 -0.24 0.37 0.00 0.70 0.00 0.00 55.95 56.73 1r50 s SER 130 Cb -0.01 -0.80 1.72 0.00 -1.71 0.00 0.00 66.02 65.21 1r50 s SER 130 CO -0.03 0.34 2.10 0.77 1.20 0.00 0.00 173.24 177.62 1r50 h SER 131 N 5.40 0.00 -0.03 5.45 4.64 -1.63 -0.87 113.55 126.51 1r50 h SER 131 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1r50 h SER 131 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1r50 h SER 131 CO 0.50 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.46 1r50 n ALA 132 N -2.07 2.58 -2.59 5.18 0.00 -1.26 -4.80 120.51 117.54 1r50 n ALA 132 Ca -0.01 -0.44 -0.43 0.00 0.00 0.00 0.00 53.44 52.57 1r50 n ALA 132 Cb 0.22 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.47 1r50 n ALA 132 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1r50 s ASP 133 N -1.95 6.61 -0.04 0.00 -1.08 -0.33 -4.58 116.67 115.30 1r50 s ASP 133 Ca 0.38 0.40 0.13 0.00 -0.52 0.00 0.00 52.55 52.94 1r50 s ASP 133 Cb 0.21 -2.53 -0.23 0.00 -1.46 0.00 0.00 42.92 38.91 1r50 s ASP 133 CO 0.33 -1.22 0.68 0.24 0.52 0.00 0.00 175.17 175.73 1r50 h MET 134 N 9.20 0.00 0.13 4.34 2.86 -1.87 -3.40 114.93 126.18 1r50 h MET 134 Ca -0.23 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 1r50 h MET 134 Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 1r50 h MET 134 CO 1.11 0.50 -0.06 0.82 1.06 0.00 0.00 176.91 180.33 1r50 h ILE 135 N 0.00 1.01 -3.69 -1.22 5.03 -1.99 -3.41 117.51 113.24 1r50 h ILE 135 Ca -0.27 -0.57 -0.68 0.00 -0.12 0.00 0.00 64.86 63.22 1r50 h ILE 135 Cb 1.99 1.37 -0.33 0.00 -3.03 0.00 0.00 36.82 36.81 1r50 h ILE 135 CO 0.08 0.14 -0.74 -0.69 -0.68 0.00 0.00 178.15 176.26 1r50 s VAL 136 N -5.08 2.77 0.30 1.67 1.01 -1.26 -5.09 120.40 114.72 1r50 s VAL 136 Ca -0.15 -1.31 -0.29 0.00 0.00 0.00 0.00 61.98 60.23 1r50 s VAL 136 Cb 0.03 -2.53 -0.12 0.00 0.00 0.00 0.00 36.38 33.76 1r50 s VAL 136 CO 0.63 0.02 1.40 0.23 0.00 0.00 0.00 175.10 177.38 1r50 n MET 137 N 4.60 2.23 0.02 2.72 2.81 -1.26 -4.87 117.12 123.37 1r50 n MET 137 Ca -0.15 0.79 0.13 0.00 -1.81 0.00 0.00 57.70 56.67 1r50 n MET 137 Cb 0.44 -2.44 0.59 0.00 -0.71 0.00 0.00 33.22 31.10 1r50 n MET 137 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1r50 h ASN 138 N 3.54 0.18 0.36 7.83 2.35 -1.88 -0.82 115.58 127.14 1r50 h ASN 138 Ca -0.46 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.28 1r50 h ASN 138 Cb 1.27 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 39.60 1r50 h ASN 138 CO 0.70 0.11 -0.05 0.10 -1.65 0.00 0.00 177.43 176.64 1r50 h TYR 139 N 0.20 0.00 0.00 1.19 -0.00 -1.96 -0.84 116.97 115.56 1r50 h TYR 139 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.94 1r50 h TYR 139 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.29 1r50 h TYR 139 CO -0.00 0.05 -0.11 -0.07 -0.00 0.00 0.00 178.16 178.03 1r50 h LEU 140 N 0.00 0.00 0.08 0.10 3.38 -1.45 -3.34 115.31 114.08 1r50 h LEU 140 Ca -0.00 -0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 1r50 h LEU 140 Cb 0.24 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1r50 h LEU 140 CO 0.01 0.00 -1.84 0.28 0.09 0.00 0.00 178.44 176.98 1r50 h SER 141 N 0.00 0.27 -3.29 -0.43 0.02 -1.12 -0.02 113.55 108.97 1r50 h SER 141 Ca 0.00 -0.57 -0.53 0.00 -0.84 0.00 0.00 61.79 59.85 1r50 h SER 141 Cb 0.99 -0.09 0.09 0.00 0.14 0.00 0.00 62.40 63.53 1r50 h SER 141 CO 0.00 1.51 0.89 0.54 -1.14 0.00 0.00 176.83 178.62 1r50 n ARG 142 N -3.32 2.72 -4.92 3.45 1.74 -0.93 -4.78 116.66 110.61 1r50 n ARG 142 Ca -0.25 0.97 -0.29 0.00 -0.77 0.00 0.00 57.85 57.51 1r50 n ARG 142 Cb 1.05 -2.75 -0.17 0.00 -1.02 0.00 0.00 32.46 29.57 1r50 n ARG 142 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1r50 s LEU 143 N -0.48 1.92 -0.05 0.55 1.43 -1.26 -4.84 118.68 115.94 1r50 s LEU 143 Ca 0.64 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 52.98 1r50 s LEU 143 Cb -0.49 -1.20 -0.06 0.00 0.03 0.00 0.00 46.19 44.47 1r50 s LEU 143 CO 0.49 0.10 1.78 -1.81 0.23 0.00 0.00 176.35 177.13 1r50 s ASP 144 N 0.53 6.51 0.00 2.29 1.01 0.42 -2.09 116.67 125.34 1r50 s ASP 144 Ca -0.16 2.30 0.00 0.00 0.71 0.00 0.00 52.55 55.40 1r50 s ASP 144 Cb -0.17 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.23 1r50 s ASP 144 CO 0.06 -1.05 0.00 0.61 0.21 0.00 0.00 175.17 175.00 1r50 n GLY 145 N 4.39 1.43 3.96 0.21 0.00 -1.26 -1.34 105.19 112.57 1r50 n GLY 145 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1r50 n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r50 s ALA 146 N -2.37 3.31 -0.73 4.61 0.00 -0.89 -0.99 121.76 124.71 1r50 s ALA 146 Ca 0.00 -1.29 -0.22 0.00 0.00 0.00 0.00 51.96 50.45 1r50 s ALA 146 Cb 0.00 -2.35 0.08 0.00 0.00 0.00 0.00 23.12 20.85 1r50 s ALA 146 CO 0.00 -1.44 1.02 0.50 0.00 0.00 0.00 175.76 175.85 1r50 s ARG 147 N -5.23 3.23 -0.30 0.00 3.52 -0.58 -4.86 118.95 114.74 1r50 s ARG 147 Ca 0.64 -1.02 -0.20 0.00 -0.13 0.00 0.00 55.73 55.02 1r50 s ARG 147 Cb -0.08 -4.41 -0.01 0.00 -1.56 0.00 0.00 34.95 28.89 1r50 s ARG 147 CO 0.45 -1.83 0.62 -0.80 -0.81 0.00 0.00 175.30 172.93 1r50 s ASN 148 N 3.73 6.50 -0.24 -2.12 0.01 -1.26 -1.09 114.94 120.46 1r50 s ASN 148 Ca 0.25 0.47 -0.00 0.00 -0.71 0.00 0.00 52.86 52.87 1r50 s ASN 148 Cb -0.14 -2.33 0.04 0.00 0.41 0.00 0.00 41.25 39.23 1r50 s ASN 148 CO 0.06 -0.45 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.41 1r50 s VAL 149 N 2.57 2.57 -0.22 1.60 1.01 0.03 -4.97 120.40 122.99 1r50 s VAL 149 Ca 0.25 -1.20 -0.17 0.00 0.00 0.00 0.00 61.98 60.86 1r50 s VAL 149 Cb -0.15 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 1r50 s VAL 149 CO 0.11 0.17 0.47 -1.58 0.00 0.00 0.00 175.10 174.28 1r50 s GLN 150 N 1.26 4.14 0.45 2.72 2.00 -1.26 -1.72 119.66 127.26 1r50 s GLN 150 Ca -0.02 0.31 0.05 0.00 -2.00 0.00 0.00 55.36 53.70 1r50 s GLN 150 Cb -0.17 -3.58 -0.04 0.00 0.80 0.00 0.00 33.01 30.01 1r50 s GLN 150 CO -0.06 -0.18 0.08 0.96 -0.50 0.00 0.00 175.29 175.60 1r50 s ILE 151 N 1.74 1.78 0.22 -2.34 -4.36 0.13 -4.99 121.20 113.38 1r50 s ILE 151 Ca 0.21 -1.88 0.01 0.00 -0.26 0.00 0.00 60.65 58.73 1r50 s ILE 151 Cb -0.15 -2.66 -0.05 0.00 1.25 0.00 0.00 42.46 40.85 1r50 s ILE 151 CO 0.09 0.00 0.06 -1.00 0.24 0.00 0.00 174.94 174.34 1r50 s HIS 152 N -2.74 1.35 -0.13 1.37 3.76 -1.26 -1.69 115.29 115.94 1r50 s HIS 152 Ca 0.27 -1.15 0.00 0.00 -0.15 0.00 0.00 55.06 54.04 1r50 s HIS 152 Cb 0.05 -0.77 0.00 0.00 1.11 0.00 0.00 32.58 32.97 1r50 s HIS 152 CO 0.15 -0.33 0.00 0.41 -0.85 0.00 0.00 174.74 174.12 1r50 n GLY 153 N -0.35 0.32 3.26 -2.22 0.00 -1.26 -4.96 105.19 99.99 1r50 n GLY 153 Ca -0.02 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 1r50 n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r50 s VAL 154 N -1.53 2.20 0.86 1.61 1.01 -1.26 -5.03 120.40 118.26 1r50 s VAL 154 Ca 0.00 -0.99 -0.13 0.00 0.00 0.00 0.00 61.98 60.87 1r50 s VAL 154 Cb 0.00 -1.84 0.11 0.00 0.00 0.00 0.00 36.38 34.66 1r50 s VAL 154 CO 0.00 0.56 1.18 -0.83 0.00 0.00 0.00 175.10 176.01 1r50 s GLY 155 N 0.14 1.60 0.10 4.51 0.00 -1.26 -3.74 107.32 108.67 1r50 s GLY 155 Ca -0.12 -0.67 -0.25 0.00 0.00 0.00 0.00 44.72 43.68 1r50 s GLY 155 CO 0.07 -0.12 1.68 0.84 0.00 0.00 0.00 173.10 175.57 1r50 h HIS 156 N -1.27 -0.36 -0.24 1.90 2.76 -1.94 -2.25 115.15 113.76 1r50 h HIS 156 Ca -0.47 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 57.60 1r50 h HIS 156 Cb 1.32 0.14 -0.01 0.00 1.55 0.00 0.00 27.41 30.41 1r50 h HIS 156 CO 0.13 -0.21 -0.27 0.82 -1.30 0.00 0.00 177.93 177.10 1r50 h ILE 157 N -0.28 1.27 0.00 6.26 2.04 -2.00 -2.66 117.51 122.14 1r50 h ILE 157 Ca 0.02 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.57 1r50 h ILE 157 Cb 0.29 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1r50 h ILE 157 CO -0.06 0.41 0.00 1.23 0.00 0.00 0.00 178.15 179.73 1r50 h GLY 158 N 1.03 0.00 2.00 5.37 0.00 -1.79 -1.28 103.07 108.40 1r50 h GLY 158 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 1r50 h GLY 158 CO 0.05 0.00 -0.01 1.41 0.00 0.00 0.00 176.54 178.00 1r50 h LEU 159 N 0.00 0.00 0.00 3.11 3.38 -1.05 -1.57 115.31 119.18 1r50 h LEU 159 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1r50 h LEU 159 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1r50 h LEU 159 CO 0.00 0.01 -0.27 0.18 0.09 0.00 0.00 178.44 178.45 1r50 n LEU 160 N -3.13 0.51 -2.67 1.67 4.77 -0.48 -4.19 117.00 113.47 1r50 n LEU 160 Ca -0.02 0.35 -0.09 0.00 -0.03 0.00 0.00 56.01 56.22 1r50 n LEU 160 Cb 0.15 -0.32 0.03 0.00 -2.33 0.00 0.00 43.42 40.95 1r50 n LEU 160 CO 0.23 -0.04 -0.06 -1.22 -1.33 0.00 0.00 177.39 174.97 1r50 n TYR 161 N -1.87 1.41 -4.75 -1.77 4.02 -0.60 -4.16 117.16 109.45 1r50 n TYR 161 Ca 0.05 -2.64 -0.33 0.00 -0.01 0.00 0.00 57.90 54.98 1r50 n TYR 161 Cb 0.39 -0.32 -0.16 0.00 -0.02 0.00 0.00 39.34 39.23 1r50 n TYR 161 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1r50 s SER 162 N -3.34 3.43 0.34 7.72 0.15 -1.14 -5.02 113.70 115.85 1r50 s SER 162 Ca 0.29 -0.51 0.05 0.00 0.70 0.00 0.00 55.95 56.49 1r50 s SER 162 Cb 0.42 -1.50 0.62 0.00 -1.71 0.00 0.00 66.02 63.85 1r50 s SER 162 CO 0.00 0.11 1.87 0.77 1.20 0.00 0.00 173.24 177.19 1r50 h SER 163 N 7.11 0.44 -0.12 5.45 4.64 -1.96 0.98 113.55 130.09 1r50 h SER 163 Ca -0.29 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 60.94 1r50 h SER 163 Cb 1.20 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1r50 h SER 163 CO 0.54 0.54 0.04 -0.61 -0.87 0.00 0.00 176.83 176.47 1r50 h GLN 164 N 0.45 0.19 -0.36 4.77 5.75 -1.99 -1.75 115.11 122.17 1r50 h GLN 164 Ca 0.09 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 1r50 h GLN 164 Cb 0.36 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.86 1r50 h GLN 164 CO 0.01 0.32 0.20 0.28 -2.65 0.00 0.00 178.83 177.00 1r50 h VAL 165 N 0.02 1.14 -0.64 2.39 2.07 -1.80 -2.68 116.25 116.75 1r50 h VAL 165 Ca 0.04 -0.36 0.11 0.00 0.82 0.00 0.00 66.70 67.31 1r50 h VAL 165 Cb 0.21 0.73 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 1r50 h VAL 165 CO -0.00 0.14 0.23 0.78 0.02 0.00 0.00 177.57 178.74 1r50 h ASN 166 N 0.45 0.20 -0.45 0.57 2.35 -0.65 0.38 115.58 118.43 1r50 h ASN 166 Ca 0.13 0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.95 1r50 h ASN 166 Cb 0.05 0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1r50 h ASN 166 CO -0.02 0.11 0.22 0.77 -1.65 0.00 0.00 177.43 176.86 1r50 h SER 167 N 0.39 0.62 0.74 5.81 4.64 -1.02 -1.31 113.55 123.42 1r50 h SER 167 Ca 0.33 -0.06 -0.17 0.00 -0.47 0.00 0.00 61.79 61.43 1r50 h SER 167 Cb 0.45 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 1r50 h SER 167 CO -0.35 0.54 -0.80 -0.07 -0.87 0.00 0.00 176.83 175.28 1r50 h LEU 168 N 0.69 0.05 -0.34 5.97 3.38 -0.86 -1.89 115.31 122.32 1r50 h LEU 168 Ca 0.17 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1r50 h LEU 168 Cb 0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1r50 h LEU 168 CO -0.02 0.82 -0.01 0.40 0.09 0.00 0.00 178.44 179.73 1r50 h ILE 169 N 0.02 1.26 -0.16 1.22 2.04 -0.32 -0.29 117.51 121.28 1r50 h ILE 169 Ca -0.01 -0.98 0.01 0.00 1.00 0.00 0.00 64.86 64.87 1r50 h ILE 169 Cb 1.40 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 1r50 h ILE 169 CO 0.11 0.32 0.07 0.50 0.00 0.00 0.00 178.15 179.15 1r50 h LYS 170 N 0.41 0.15 -0.92 2.37 3.64 -1.17 0.14 116.57 121.19 1r50 h LYS 170 Ca 0.10 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.51 1r50 h LYS 170 Cb 0.46 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.19 1r50 h LYS 170 CO 0.02 0.10 0.59 0.93 -2.27 0.00 0.00 179.45 178.82 1r50 h GLU 171 N 0.15 1.08 -0.32 1.90 5.08 -1.20 -1.07 114.58 120.21 1r50 h GLU 171 Ca 0.06 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1r50 h GLU 171 Cb 0.02 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 1r50 h GLU 171 CO -0.05 0.72 0.00 0.78 -1.00 0.00 0.00 179.01 179.46 1r50 h GLY 172 N 1.12 0.60 2.00 -3.84 0.00 -0.37 0.47 103.07 103.06 1r50 h GLY 172 Ca 0.38 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1r50 h GLY 172 CO -0.14 0.41 0.00 1.41 0.00 0.00 0.00 176.54 178.22 1r50 h LEU 173 N 0.36 0.00 -2.12 3.11 3.38 -0.33 -2.02 115.31 117.69 1r50 h LEU 173 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1r50 h LEU 173 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1r50 h LEU 173 CO 0.02 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.14 1r50 n ASN 174 N -2.35 3.12 0.00 -0.43 5.03 -0.44 -4.89 115.26 115.30 1r50 n ASN 174 Ca 0.02 -2.09 0.00 0.00 0.87 0.00 0.00 54.58 53.38 1r50 n ASN 174 Cb 0.25 -0.40 0.00 0.00 -1.02 0.00 0.00 39.78 38.61 1r50 n ASN 174 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1r50 n GLY 175 N 1.24 0.78 0.00 7.41 0.00 -0.76 -4.96 105.19 108.90 1r50 n GLY 175 Ca 0.18 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.24 1r50 n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r50 n GLY 176 N -2.41 -0.98 3.80 -0.02 0.00 0.16 -4.84 105.19 100.90 1r50 n GLY 176 Ca 0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1r50 n GLY 176 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r50 s GLY 177 N -1.83 1.71 0.16 -0.02 0.00 -1.26 -4.79 107.32 101.30 1r50 s GLY 177 Ca 0.39 -1.13 -0.02 0.00 0.00 0.00 0.00 44.72 43.95 1r50 s GLY 177 CO 0.30 -0.30 0.13 1.20 0.00 0.00 0.00 173.10 174.42 1r50 s GLN 178 N -5.72 1.08 -0.47 2.90 -0.21 -0.52 -4.71 119.66 112.01 1r50 s GLN 178 Ca 0.73 -1.47 0.04 0.00 0.02 0.00 0.00 55.36 54.69 1r50 s GLN 178 Cb -0.06 0.28 0.19 0.00 1.00 0.00 0.00 33.01 34.42 1r50 s GLN 178 CO 0.54 -0.34 0.78 1.21 -2.12 0.00 0.00 175.29 175.37 1r50 s ASN 179 N -3.08 -1.24 0.00 5.90 3.84 -1.00 -1.21 114.94 118.15 1r50 s ASN 179 Ca 0.28 -1.32 0.21 0.00 0.21 0.00 0.00 52.86 52.24 1r50 s ASN 179 Cb 0.06 1.62 1.10 0.00 -0.55 0.00 0.00 41.25 43.48 1r50 s ASN 179 CO 0.05 -0.06 1.66 0.35 -2.79 0.00 0.00 177.10 176.31 1r50 n THR 180 N 3.14 0.29 0.00 -5.21 -2.24 -0.16 -5.01 114.28 105.09 1r50 n THR 180 Ca 0.15 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 1r50 n THR 180 Cb 0.58 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 1r50 n THR 180 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09