#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jsi n LEU 2 N 0.00 -0.21 -0.94 0.99 7.94 -1.26 -0.22 117.00 123.30 1jsi n LEU 2 Ca 0.00 1.53 0.11 0.00 -1.11 0.00 0.00 56.01 56.54 1jsi n LEU 2 Cb 0.00 -0.51 0.27 0.00 0.53 0.00 0.00 43.42 43.71 1jsi n LEU 2 CO 0.00 -1.51 0.73 0.49 -1.11 0.00 0.00 177.39 175.99 1jsi n PHE 3 N -5.38 0.45 -0.90 1.96 3.01 -1.26 -4.97 117.46 110.37 1jsi n PHE 3 Ca 0.18 -0.23 0.00 0.00 1.01 0.00 0.00 57.45 58.41 1jsi n PHE 3 Cb 0.57 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.04 1jsi n PHE 3 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jsi n GLY 4 N 1.36 0.06 0.01 1.37 0.00 0.69 -4.88 105.19 103.80 1jsi n GLY 4 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 1jsi n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jsi n ALA 5 N 1.00 0.11 -1.88 4.61 0.00 -1.26 -1.77 120.51 121.32 1jsi n ALA 5 Ca 0.00 -0.25 -0.42 0.00 0.00 0.00 0.00 53.44 52.77 1jsi n ALA 5 Cb 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.78 1jsi n ALA 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1jsi s ILE 6 N -1.27 2.62 -1.23 0.00 1.01 -1.26 -0.82 121.20 120.24 1jsi s ILE 6 Ca -0.04 0.35 -0.03 0.00 0.00 0.00 0.00 60.65 60.93 1jsi s ILE 6 Cb 0.01 -3.22 0.02 0.00 0.01 0.00 0.00 42.46 39.27 1jsi s ILE 6 CO 0.05 0.02 0.22 0.00 0.00 0.00 0.00 174.94 175.23 1jsi n ALA 7 N 4.51 -0.88 -2.69 9.38 0.00 -1.15 -4.27 120.51 125.42 1jsi n ALA 7 Ca 0.15 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1jsi n ALA 7 Cb 0.38 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1jsi n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jsi n GLY 8 N -1.02 2.06 0.00 0.00 0.00 -0.00 -4.56 105.19 101.66 1jsi n GLY 8 Ca -0.11 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 45.96 1jsi n GLY 8 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1jsi n PHE 9 N 0.00 0.00 -3.69 1.61 1.16 -0.73 -3.38 117.46 112.43 1jsi n PHE 9 Ca 0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.22 1jsi n PHE 9 Cb 0.00 -0.47 -0.08 0.00 -1.61 0.00 0.00 39.48 37.32 1jsi n PHE 9 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1jsi s ILE 10 N -2.93 3.98 0.47 1.97 1.01 -1.11 -4.18 121.20 120.41 1jsi s ILE 10 Ca 0.15 -3.43 0.24 0.00 0.00 0.00 0.00 60.65 57.61 1jsi s ILE 10 Cb 0.18 -3.53 0.43 0.00 0.01 0.00 0.00 42.46 39.54 1jsi s ILE 10 CO 0.48 -0.98 1.87 -0.33 0.00 0.00 0.00 174.94 175.98 1jsi h GLU 11 N 6.50 0.21 -4.48 2.79 5.08 -1.81 -3.04 114.58 119.83 1jsi h GLU 11 Ca 0.07 -0.01 -0.20 0.00 -1.00 0.00 0.00 59.36 58.22 1jsi h GLU 11 Cb 0.88 -0.05 -0.15 0.00 0.50 0.00 0.00 28.75 29.94 1jsi h GLU 11 CO 0.77 0.14 -0.63 0.20 -1.00 0.00 0.00 179.01 178.49 1jsi s GLY 12 N -3.91 1.15 0.77 -3.84 0.00 -1.26 -4.44 107.32 95.79 1jsi s GLY 12 Ca -0.07 -1.55 -0.03 0.00 0.00 0.00 0.00 44.72 43.07 1jsi s GLY 12 CO 0.78 -1.37 1.05 -0.32 0.00 0.00 0.00 173.10 173.24 1jsi s GLY 13 N -3.09 1.76 -0.17 0.20 0.00 -1.26 -4.92 107.32 99.84 1jsi s GLY 13 Ca 0.30 -1.67 0.01 0.00 0.00 0.00 0.00 44.72 43.36 1jsi s GLY 13 CO 0.06 -1.06 -0.19 -0.98 0.00 0.00 0.00 173.10 170.93 1jsi s TRP 14 N -3.27 2.77 -0.18 1.90 0.51 -1.26 -4.97 118.94 114.44 1jsi s TRP 14 Ca 0.68 -1.50 0.27 0.00 -2.12 0.00 0.00 56.10 53.42 1jsi s TRP 14 Cb -0.05 -1.91 0.77 0.00 -0.81 0.00 0.00 33.47 31.47 1jsi s TRP 14 CO 0.46 -0.73 1.76 -1.00 -0.51 0.00 0.00 176.95 176.93 1jsi h PRO 15 N 7.79 0.00 0.00 4.98 0.13 -2.03 -3.01 132.00 139.86 1jsi h PRO 15 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1jsi h PRO 15 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1jsi h PRO 15 CO 0.62 0.04 0.00 0.78 -0.23 0.00 0.00 178.00 179.21 1jsi h GLY 16 N 3.08 0.00 -7.34 1.56 0.00 -2.01 -3.39 103.07 94.97 1jsi h GLY 16 Ca -0.00 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.67 1jsi h GLY 16 CO 0.01 0.00 1.00 -2.27 0.00 0.00 0.00 176.54 175.28 1jsi s LEU 17 N -4.91 4.52 0.05 3.11 2.96 -1.14 -4.84 118.68 118.43 1jsi s LEU 17 Ca 0.06 -1.76 0.21 0.00 -0.22 0.00 0.00 54.13 52.41 1jsi s LEU 17 Cb 0.10 -2.45 -0.18 0.00 0.50 0.00 0.00 46.19 44.16 1jsi s LEU 17 CO 0.50 -1.24 0.69 1.33 -1.32 0.00 0.00 176.35 176.31 1jsi n VAL 18 N 5.94 0.61 0.09 1.68 0.24 -1.26 -4.45 118.33 121.18 1jsi n VAL 18 Ca 0.24 -0.60 -0.08 0.00 -2.04 0.00 0.00 64.34 61.86 1jsi n VAL 18 Cb 0.49 -0.32 -0.04 0.00 -1.47 0.00 0.00 33.84 32.50 1jsi n VAL 18 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jsi h ALA 19 N 1.77 0.46 -2.91 2.33 0.00 -1.98 -3.49 119.26 115.44 1jsi h ALA 19 Ca -0.09 -0.78 -0.06 0.00 0.00 0.00 0.00 54.91 53.97 1jsi h ALA 19 Cb 1.26 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1jsi h ALA 19 CO 0.01 1.01 0.15 0.41 0.00 0.00 0.00 179.25 180.83 1jsi n GLY 20 N 1.04 1.43 0.24 0.00 0.00 -1.26 -5.00 105.19 101.64 1jsi n GLY 20 Ca -0.03 -1.26 -0.15 0.00 0.00 0.00 0.00 46.02 44.59 1jsi n GLY 20 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1jsi h TRP 21 N 1.75 1.07 -4.07 1.61 6.55 -1.93 -3.46 115.95 117.48 1jsi h TRP 21 Ca -0.24 -0.39 -0.60 0.00 0.95 0.00 0.00 58.89 58.61 1jsi h TRP 21 Cb 0.93 -0.20 -0.24 0.00 -0.86 0.00 0.00 29.16 28.79 1jsi h TRP 21 CO 0.00 1.21 -0.84 0.71 -1.05 0.00 0.00 178.44 178.47 1jsi s TYR 22 N -4.10 1.93 0.00 0.49 1.51 -1.26 -5.06 117.35 110.86 1jsi s TYR 22 Ca -0.10 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.56 1jsi s TYR 22 Cb 0.10 -1.10 0.00 0.00 -0.11 0.00 0.00 41.96 40.85 1jsi s TYR 22 CO 0.89 0.17 0.00 0.41 -1.11 0.00 0.00 175.55 175.91 1jsi n GLY 23 N 1.45 1.52 3.28 0.71 0.00 -1.26 -0.15 105.19 110.73 1jsi n GLY 23 Ca -0.18 -0.87 -0.23 0.00 0.00 0.00 0.00 46.02 44.74 1jsi n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jsi s PHE 24 N -5.35 1.73 -0.06 1.61 0.40 -0.55 -4.86 117.98 110.90 1jsi s PHE 24 Ca 0.00 -0.42 0.02 0.00 -0.60 0.00 0.00 56.93 55.92 1jsi s PHE 24 Cb 0.00 -0.95 0.02 0.00 0.51 0.00 0.00 43.02 42.60 1jsi s PHE 24 CO 0.00 0.19 -0.09 -1.14 0.70 0.00 0.00 175.22 174.88 1jsi s GLN 25 N -1.92 1.35 0.32 0.44 0.74 -1.26 -1.60 119.66 117.74 1jsi s GLN 25 Ca 0.06 -0.29 0.10 0.00 0.05 0.00 0.00 55.36 55.28 1jsi s GLN 25 Cb -0.10 -1.18 -0.06 0.00 1.10 0.00 0.00 33.01 32.77 1jsi s GLN 25 CO 0.04 -0.02 -0.12 -3.38 -0.55 0.00 0.00 175.29 171.26 1jsi s HIS 26 N 0.78 2.38 -0.16 1.67 -3.43 -0.37 -4.97 115.29 111.19 1jsi s HIS 26 Ca -0.13 -0.43 -0.04 0.00 -0.80 0.00 0.00 55.06 53.66 1jsi s HIS 26 Cb -0.15 -1.25 0.08 0.00 -1.43 0.00 0.00 32.58 29.82 1jsi s HIS 26 CO 0.02 0.62 0.22 -1.12 -2.00 0.00 0.00 174.74 172.48 1jsi s SER 27 N -3.58 1.04 0.17 7.38 0.01 -1.26 -2.74 113.70 114.72 1jsi s SER 27 Ca 0.32 0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.65 1jsi s SER 27 Cb -0.00 0.42 -0.00 0.00 0.21 0.00 0.00 66.02 66.64 1jsi s SER 27 CO 0.16 -0.29 0.20 -0.46 0.41 0.00 0.00 173.24 173.26 1jsi n ASN 28 N 5.33 -0.54 -0.32 2.44 0.23 -0.99 -5.01 115.26 116.39 1jsi n ASN 28 Ca -0.05 -2.03 0.09 0.00 -0.53 0.00 0.00 54.58 52.06 1jsi n ASN 28 Cb 0.50 1.09 0.26 0.00 -2.08 0.00 0.00 39.78 39.55 1jsi n ASN 28 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1jsi h ASP 29 N 1.02 0.64 0.40 0.53 3.32 -2.01 -0.92 116.42 119.40 1jsi h ASP 29 Ca -0.13 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1jsi h ASP 29 Cb 0.61 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1jsi h ASP 29 CO 0.18 0.26 0.00 0.00 -1.72 0.00 0.00 179.24 177.96 1jsi n GLN 30 N -4.82 0.08 0.00 3.56 6.02 -1.26 -4.98 117.38 115.98 1jsi n GLN 30 Ca 0.19 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 1jsi n GLN 30 Cb 0.48 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.24 1jsi n GLN 30 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jsi n GLY 31 N -0.06 0.60 3.42 1.08 0.00 -0.35 -5.09 105.19 104.79 1jsi n GLY 31 Ca 0.05 -2.19 -0.29 0.00 0.00 0.00 0.00 46.02 43.59 1jsi n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jsi s VAL 32 N -0.75 2.43 -0.23 1.61 1.01 -1.26 -2.35 120.40 120.86 1jsi s VAL 32 Ca 0.00 -1.69 -0.37 0.00 0.00 0.00 0.00 61.98 59.92 1jsi s VAL 32 Cb 0.00 -2.09 0.15 0.00 0.00 0.00 0.00 36.38 34.44 1jsi s VAL 32 CO 0.00 0.09 1.37 -0.83 0.00 0.00 0.00 175.10 175.72 1jsi s GLY 33 N -2.10 -0.27 0.05 4.51 0.00 -1.11 -5.00 107.32 103.41 1jsi s GLY 33 Ca 0.15 1.65 0.00 0.00 0.00 0.00 0.00 44.72 46.53 1jsi s GLY 33 CO 0.07 0.52 -0.05 -3.16 0.00 0.00 0.00 173.10 170.49 1jsi s MET 34 N -2.10 0.59 -0.08 2.90 0.23 -1.26 -1.24 119.30 118.34 1jsi s MET 34 Ca 0.12 -1.04 -0.22 0.00 -1.03 0.00 0.00 55.69 53.52 1jsi s MET 34 Cb 0.01 -0.00 0.05 0.00 -1.53 0.00 0.00 34.83 33.35 1jsi s MET 34 CO -0.03 -0.05 0.52 0.00 -2.03 0.00 0.00 175.02 173.43 1jsi s ALA 35 N -2.88 -1.33 0.62 3.16 0.00 -0.62 -4.95 121.76 115.75 1jsi s ALA 35 Ca 0.00 1.05 -0.16 0.00 0.00 0.00 0.00 51.96 52.85 1jsi s ALA 35 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 1jsi s ALA 35 CO -0.05 -0.30 1.12 0.00 0.00 0.00 0.00 175.76 176.52 1jsi s ALA 36 N -0.84 2.55 -0.40 0.00 0.00 -1.26 -1.48 121.76 120.33 1jsi s ALA 36 Ca -0.09 0.63 -0.19 0.00 0.00 0.00 0.00 51.96 52.31 1jsi s ALA 36 Cb -0.03 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.78 1jsi s ALA 36 CO 0.06 -1.10 0.57 0.34 0.00 0.00 0.00 175.76 175.63 1jsi s ASP 37 N -2.32 6.31 0.15 0.00 2.15 0.79 -4.82 116.67 118.93 1jsi s ASP 37 Ca 0.69 -0.23 -0.15 0.00 0.43 0.00 0.00 52.55 53.28 1jsi s ASP 37 Cb -0.21 -2.29 0.02 0.00 -0.30 0.00 0.00 42.92 40.13 1jsi s ASP 37 CO 0.37 -0.64 1.74 0.28 -0.17 0.00 0.00 175.17 176.75 1jsi h SER 38 N 8.68 0.56 0.35 -0.34 0.02 -1.94 -2.26 113.55 118.62 1jsi h SER 38 Ca -0.26 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.57 1jsi h SER 38 Cb 1.11 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 1jsi h SER 38 CO 0.84 0.51 -0.43 -0.78 -1.14 0.00 0.00 176.83 175.83 1jsi h ASP 39 N 0.57 -1.21 -0.75 3.07 3.58 -1.98 0.11 116.42 119.81 1jsi h ASP 39 Ca 0.15 0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.69 1jsi h ASP 39 Cb 0.09 0.41 -0.04 0.00 1.72 0.00 0.00 39.33 41.52 1jsi h ASP 39 CO -0.02 -0.54 0.41 0.77 -2.88 0.00 0.00 179.24 176.97 1jsi h SER 40 N -0.80 0.93 -0.24 2.28 4.64 -1.96 -2.33 113.55 116.06 1jsi h SER 40 Ca -0.04 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.15 1jsi h SER 40 Cb 0.72 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1jsi h SER 40 CO -0.10 0.76 0.04 0.74 -0.87 0.00 0.00 176.83 177.41 1jsi h THR 41 N 1.03 1.22 -0.49 2.95 2.02 -1.26 -2.27 112.91 116.11 1jsi h THR 41 Ca 0.26 -0.75 -0.06 0.00 0.77 0.00 0.00 66.41 66.64 1jsi h THR 41 Cb 0.04 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 1jsi h THR 41 CO -0.04 0.24 0.05 -0.61 0.37 0.00 0.00 175.52 175.53 1jsi h GLN 42 N 0.21 0.79 -0.65 6.66 5.75 -0.70 0.01 115.11 127.18 1jsi h GLN 42 Ca 0.07 -0.19 -0.06 0.00 -0.15 0.00 0.00 58.65 58.32 1jsi h GLN 42 Cb 0.31 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.73 1jsi h GLN 42 CO 0.00 0.76 0.16 0.87 -2.65 0.00 0.00 178.83 177.97 1jsi h LYS 43 N 0.75 1.03 -0.23 1.69 1.57 -1.34 -1.28 116.57 118.76 1jsi h LYS 43 Ca 0.15 -0.23 -0.17 0.00 -1.87 0.00 0.00 60.65 58.54 1jsi h LYS 43 Cb 0.38 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1jsi h LYS 43 CO 0.01 0.91 -0.53 0.00 -0.57 0.00 0.00 179.45 179.27 1jsi h ALA 44 N 1.19 0.64 -0.56 3.86 0.00 -0.88 -2.55 119.26 120.96 1jsi h ALA 44 Ca 0.21 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1jsi h ALA 44 Cb 0.35 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1jsi h ALA 44 CO 0.00 0.68 0.27 0.82 0.00 0.00 0.00 179.25 181.02 1jsi h ILE 45 N 0.51 1.20 -0.56 0.00 2.04 -0.66 -2.11 117.51 117.94 1jsi h ILE 45 Ca 0.01 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 1jsi h ILE 45 Cb 1.09 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 1jsi h ILE 45 CO 0.11 0.23 0.27 0.44 0.00 0.00 0.00 178.15 179.20 1jsi h ASP 46 N 0.75 0.74 -0.02 1.72 3.32 -1.16 -1.19 116.42 120.59 1jsi h ASP 46 Ca 0.19 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 1jsi h ASP 46 Cb 0.12 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 1jsi h ASP 46 CO -0.02 0.66 0.01 0.11 -1.72 0.00 0.00 179.24 178.27 1jsi h LYS 47 N 0.76 0.03 -0.28 3.56 1.57 -1.24 -1.18 116.57 119.79 1jsi h LYS 47 Ca 0.19 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.86 1jsi h LYS 47 Cb 0.12 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1jsi h LYS 47 CO -0.02 0.21 -0.29 0.97 -0.57 0.00 0.00 179.45 179.74 1jsi h ILE 48 N -0.16 1.28 -0.71 1.86 6.09 -1.38 0.43 117.51 124.91 1jsi h ILE 48 Ca 0.01 -1.37 -0.02 0.00 -1.37 0.00 0.00 64.86 62.10 1jsi h ILE 48 Cb 0.19 1.38 -0.03 0.00 0.47 0.00 0.00 36.82 38.83 1jsi h ILE 48 CO -0.00 0.44 0.35 0.74 -3.07 0.00 0.00 178.15 176.61 1jsi h THR 49 N 0.48 1.23 -0.64 2.19 2.02 -1.15 0.10 112.91 117.15 1jsi h THR 49 Ca 0.06 -0.64 -0.07 0.00 0.77 0.00 0.00 66.41 66.53 1jsi h THR 49 Cb 0.75 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 1jsi h THR 49 CO 0.06 0.27 0.13 -1.28 0.37 0.00 0.00 175.52 175.06 1jsi h SER 50 N 1.00 1.00 -0.50 4.18 0.87 -0.79 -1.38 113.55 117.93 1jsi h SER 50 Ca 0.25 -0.25 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1jsi h SER 50 Cb 0.11 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 1jsi h SER 50 CO -0.03 1.00 0.18 0.50 -0.53 0.00 0.00 176.83 177.94 1jsi h LYS 51 N 0.97 0.77 -0.24 2.24 3.64 -0.12 -1.17 116.57 122.65 1jsi h LYS 51 Ca 0.20 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1jsi h LYS 51 Cb 0.41 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1jsi h LYS 51 CO 0.01 0.70 0.15 0.28 -2.27 0.00 0.00 179.45 178.32 1jsi h VAL 52 N 0.67 1.04 -0.83 2.00 2.07 -0.55 -1.01 116.25 119.64 1jsi h VAL 52 Ca 0.16 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1jsi h VAL 52 Cb 0.24 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1jsi h VAL 52 CO -0.01 0.06 0.54 0.78 0.02 0.00 0.00 177.57 178.95 1jsi h ASN 53 N 0.30 0.97 -0.11 0.57 2.35 -0.98 -1.42 115.58 117.26 1jsi h ASN 53 Ca 0.09 -0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 55.68 1jsi h ASN 53 Cb -0.01 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 1jsi h ASN 53 CO -0.04 0.72 -0.33 0.78 -1.65 0.00 0.00 177.43 176.91 1jsi h ASN 54 N 1.13 0.63 -0.20 5.81 2.35 -0.97 -0.02 115.58 124.32 1jsi h ASN 54 Ca 0.30 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1jsi h ASN 54 Cb -0.10 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 1jsi h ASN 54 CO -0.06 0.92 0.07 0.40 -1.65 0.00 0.00 177.43 177.10 1jsi h ILE 55 N 0.52 1.18 -0.59 2.81 2.04 -0.78 0.12 117.51 122.81 1jsi h ILE 55 Ca 0.06 -0.56 0.02 0.00 1.00 0.00 0.00 64.86 65.38 1jsi h ILE 55 Cb 0.82 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 1jsi h ILE 55 CO 0.07 0.18 0.37 0.58 0.00 0.00 0.00 178.15 179.34 1jsi h VAL 56 N 0.15 1.09 -0.44 1.67 2.07 -1.13 -0.38 116.25 119.29 1jsi h VAL 56 Ca 0.06 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 1jsi h VAL 56 Cb 0.21 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1jsi h VAL 56 CO -0.00 0.13 0.10 -0.78 0.02 0.00 0.00 177.57 177.04 1jsi h ASP 57 N 0.73 0.67 0.70 0.57 3.58 -0.68 -1.76 116.42 120.24 1jsi h ASP 57 Ca 0.23 -0.24 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 1jsi h ASP 57 Cb -0.01 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.85 1jsi h ASP 57 CO -0.08 0.73 -0.46 0.11 -2.88 0.00 0.00 179.24 176.66 1jsi h LYS 58 N 0.57 0.00 -0.01 0.28 6.56 -0.45 -3.35 116.57 120.17 1jsi h LYS 58 Ca 0.14 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.73 1jsi h LYS 58 Cb 0.33 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.99 1jsi h LYS 58 CO 0.00 0.46 -0.20 -1.33 -2.06 0.00 0.00 179.45 176.32 1jsi n MET 59 N -3.69 1.60 -0.00 3.15 2.81 -0.18 -4.59 117.12 116.23 1jsi n MET 59 Ca -0.01 -0.90 0.12 0.00 -1.81 0.00 0.00 57.70 55.10 1jsi n MET 59 Cb 0.53 -1.22 0.68 0.00 -0.71 0.00 0.00 33.22 32.50 1jsi n MET 59 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1jsi n ASN 60 N 0.10 0.11 -4.72 7.83 2.04 -0.67 -4.83 115.26 115.12 1jsi n ASN 60 Ca 0.06 -1.29 -0.42 0.00 -0.44 0.00 0.00 54.58 52.49 1jsi n ASN 60 Cb 0.31 -0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.52 1jsi n ASN 60 CO 0.00 0.00 0.00 -0.75 -0.44 0.00 0.00 177.26 176.07 1jsi s LYS 61 N -1.99 4.52 0.51 -3.83 2.20 -1.26 -5.03 119.74 114.85 1jsi s LYS 61 Ca 0.35 1.61 -0.06 0.00 -0.36 0.00 0.00 55.97 57.51 1jsi s LYS 61 Cb 0.16 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 33.06 1jsi s LYS 61 CO 0.27 -0.11 0.83 1.14 -0.36 0.00 0.00 175.35 177.13 1jsi s GLN 62 N 0.80 3.56 0.08 4.03 -2.07 -1.26 -5.10 119.66 119.70 1jsi s GLN 62 Ca 0.54 0.32 0.10 0.00 -1.82 0.00 0.00 55.36 54.50 1jsi s GLN 62 Cb -0.26 -2.32 -0.03 0.00 -1.09 0.00 0.00 33.01 29.31 1jsi s GLN 62 CO 0.29 -0.27 -0.26 1.52 -1.32 0.00 0.00 175.29 175.25 1jsi s TYR 63 N -2.82 2.22 -0.18 9.60 -0.85 -1.26 -5.13 117.35 118.93 1jsi s TYR 63 Ca 0.49 -0.40 -0.06 0.00 -0.52 0.00 0.00 57.07 56.58 1jsi s TYR 63 Cb -0.10 -1.27 -0.04 0.00 0.38 0.00 0.00 41.96 40.93 1jsi s TYR 63 CO 0.46 0.22 0.04 0.20 -1.52 0.00 0.00 175.55 174.94 1jsi s GLY 64 N -1.62 1.85 -0.14 5.49 0.00 -1.26 -5.07 107.32 106.57 1jsi s GLY 64 Ca 0.12 -0.79 -0.01 0.00 0.00 0.00 0.00 44.72 44.05 1jsi s GLY 64 CO 0.04 0.05 -0.06 -0.42 0.00 0.00 0.00 173.10 172.71 1jsi s ILE 65 N 0.44 1.06 -0.15 0.90 1.01 -1.26 -5.12 121.20 118.08 1jsi s ILE 65 Ca 0.01 -0.47 -0.07 0.00 0.00 0.00 0.00 60.65 60.12 1jsi s ILE 65 Cb -0.13 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 1jsi s ILE 65 CO 0.01 0.23 0.09 -0.63 0.00 0.00 0.00 174.94 174.64 1jsi s ILE 66 N 1.67 5.03 -1.45 2.92 1.01 -1.26 -5.01 121.20 124.12 1jsi s ILE 66 Ca 0.03 0.04 -0.13 0.00 0.00 0.00 0.00 60.65 60.58 1jsi s ILE 66 Cb -0.14 -3.22 0.05 0.00 0.01 0.00 0.00 42.46 39.16 1jsi s ILE 66 CO -0.08 0.54 2.22 -0.67 0.00 0.00 0.00 174.94 176.94 1jsi n ASP 67 N 2.76 4.12 -4.61 3.58 2.03 -1.26 -4.97 116.55 118.20 1jsi n ASP 67 Ca -0.18 -2.86 -0.38 0.00 0.52 0.00 0.00 54.79 51.89 1jsi n ASP 67 Cb 0.53 -1.64 0.04 0.00 -0.72 0.00 0.00 41.12 39.34 1jsi n ASP 67 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1jsi n HIS 68 N 5.81 0.86 -3.65 -0.67 8.25 -1.26 -5.00 115.22 119.57 1jsi n HIS 68 Ca 0.52 0.46 -0.37 0.00 -0.26 0.00 0.00 57.72 58.06 1jsi n HIS 68 Cb 0.38 -2.16 -0.06 0.00 1.12 0.00 0.00 29.99 29.28 1jsi n HIS 68 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1jsi s GLU 69 N -2.57 3.76 0.02 -0.41 2.02 -1.26 -5.10 118.70 115.17 1jsi s GLU 69 Ca 0.72 0.18 0.06 0.00 0.02 0.00 0.00 54.97 55.95 1jsi s GLU 69 Cb -0.44 -3.23 -0.02 0.00 0.10 0.00 0.00 34.13 30.54 1jsi s GLU 69 CO 0.50 0.69 -0.16 -0.06 0.02 0.00 0.00 175.26 176.24 1jsi s PHE 70 N -0.93 1.45 1.01 1.61 0.08 -1.26 -5.13 117.98 114.80 1jsi s PHE 70 Ca 0.20 -0.33 -0.17 0.00 0.12 0.00 0.00 56.93 56.75 1jsi s PHE 70 Cb -0.15 -0.89 0.24 0.00 -0.57 0.00 0.00 43.02 41.66 1jsi s PHE 70 CO 0.09 0.03 1.21 -1.13 -0.10 0.00 0.00 175.22 175.32 1jsi n SER 71 N 2.16 -0.52 -0.37 1.36 3.41 -1.26 -4.92 113.62 113.47 1jsi n SER 71 Ca -0.17 -1.37 -0.02 0.00 -0.26 0.00 0.00 58.87 57.06 1jsi n SER 71 Cb 0.54 -0.97 0.12 0.00 -0.26 0.00 0.00 64.21 63.64 1jsi n SER 71 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1jsi h GLU 72 N 0.00 1.31 -0.94 4.33 4.39 -2.04 -2.82 114.58 118.81 1jsi h GLU 72 Ca -0.41 -0.08 -0.30 0.00 0.34 0.00 0.00 59.36 58.91 1jsi h GLU 72 Cb 1.15 -0.30 -0.18 0.00 -0.10 0.00 0.00 28.75 29.33 1jsi h GLU 72 CO 0.28 0.87 0.38 0.44 -1.16 0.00 0.00 179.01 179.82 1jsi n ILE 73 N -4.39 2.49 -2.11 3.13 -5.35 -1.26 -4.07 119.36 107.81 1jsi n ILE 73 Ca 0.12 -1.32 -0.07 0.00 -0.27 0.00 0.00 62.75 61.21 1jsi n ILE 73 Cb 0.02 -0.56 0.08 0.00 -1.74 0.00 0.00 39.64 37.44 1jsi n ILE 73 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1jsi n GLU 74 N -0.46 2.17 0.14 6.28 1.02 -1.06 -4.82 120.64 123.90 1jsi n GLU 74 Ca 0.39 -3.49 0.03 0.00 -0.02 0.00 0.00 57.16 54.07 1jsi n GLU 74 Cb 1.27 -1.64 0.41 0.00 -0.02 0.00 0.00 31.44 31.46 1jsi n GLU 74 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1jsi h THR 75 N 3.12 1.17 -0.10 2.62 1.35 -1.76 -1.23 112.91 118.08 1jsi h THR 75 Ca 0.08 -0.77 -0.13 0.00 -0.55 0.00 0.00 66.41 65.05 1jsi h THR 75 Cb 1.38 1.24 0.01 0.00 -1.73 0.00 0.00 68.15 69.05 1jsi h THR 75 CO 0.34 0.24 -0.44 0.03 -0.25 0.00 0.00 175.52 175.43 1jsi h ARG 76 N 0.19 0.47 -0.81 4.72 3.08 -1.94 -2.22 114.38 117.86 1jsi h ARG 76 Ca 0.04 -0.38 0.01 0.00 0.07 0.00 0.00 59.98 59.72 1jsi h ARG 76 Cb 0.37 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.46 1jsi h ARG 76 CO 0.02 1.01 0.54 1.25 -1.07 0.00 0.00 179.97 181.72 1jsi h LEU 77 N 0.05 0.93 -0.38 3.04 5.85 -1.88 -0.26 115.31 122.66 1jsi h LEU 77 Ca -0.03 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1jsi h LEU 77 Cb 1.08 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1jsi h LEU 77 CO 0.09 0.67 0.18 -1.13 -0.34 0.00 0.00 178.44 177.92 1jsi h ASN 78 N 1.10 0.50 -0.43 1.25 -0.00 -1.16 -0.10 115.58 116.73 1jsi h ASN 78 Ca 0.30 -0.13 -0.10 0.00 -0.00 0.00 0.00 56.30 56.38 1jsi h ASN 78 Cb -0.11 -0.13 -0.02 0.00 -0.00 0.00 0.00 38.32 38.06 1jsi h ASN 78 CO -0.07 0.48 -0.09 0.24 -0.00 0.00 0.00 177.43 177.99 1jsi h MET 79 N 0.48 0.89 -0.47 6.67 2.86 -0.75 -0.79 114.93 123.81 1jsi h MET 79 Ca 0.13 -0.30 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 1jsi h MET 79 Cb 0.12 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1jsi h MET 79 CO -0.02 0.94 0.20 0.82 1.06 0.00 0.00 176.91 179.91 1jsi h ILE 80 N 0.80 1.20 -0.57 -1.22 2.04 -0.80 -0.62 117.51 118.35 1jsi h ILE 80 Ca 0.13 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 1jsi h ILE 80 Cb 0.61 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1jsi h ILE 80 CO 0.04 0.23 0.30 -1.13 0.00 0.00 0.00 178.15 177.59 1jsi h ASN 81 N 0.62 0.73 -0.46 1.72 -1.24 -0.76 -2.16 115.58 114.01 1jsi h ASN 81 Ca 0.16 -0.11 -0.03 0.00 0.71 0.00 0.00 56.30 57.03 1jsi h ASN 81 Cb 0.17 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.01 1jsi h ASN 81 CO -0.01 0.62 0.18 0.78 -1.29 0.00 0.00 177.43 177.71 1jsi h ASN 82 N 0.77 0.68 -0.53 1.15 2.35 -0.81 -1.92 115.58 117.28 1jsi h ASN 82 Ca 0.20 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1jsi h ASN 82 Cb 0.07 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 1jsi h ASN 82 CO -0.03 0.64 0.27 0.50 -1.65 0.00 0.00 177.43 177.16 1jsi h LYS 83 N 0.74 0.75 0.46 0.81 3.64 -0.63 0.45 116.57 122.80 1jsi h LYS 83 Ca 0.17 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1jsi h LYS 83 Cb 0.19 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1jsi h LYS 83 CO -0.01 0.61 -0.22 0.82 -2.27 0.00 0.00 179.45 178.38 1jsi h ILE 84 N 0.71 0.55 -0.51 2.00 2.04 -0.90 -1.93 117.51 119.48 1jsi h ILE 84 Ca 0.18 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.09 1jsi h ILE 84 Cb 0.09 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 1jsi h ILE 84 CO -0.03 0.00 0.24 0.44 0.00 0.00 0.00 178.15 178.81 1jsi h ASP 85 N -0.62 0.34 -0.65 1.72 3.32 -1.22 -0.26 116.42 119.05 1jsi h ASP 85 Ca -0.06 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.03 1jsi h ASP 85 Cb 0.47 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 1jsi h ASP 85 CO 0.10 0.23 0.43 0.44 -1.72 0.00 0.00 179.24 178.72 1jsi h ASP 86 N 0.47 0.74 0.15 6.45 3.32 -0.77 -1.90 116.42 124.88 1jsi h ASP 86 Ca 0.23 -0.02 -0.20 0.00 0.02 0.00 0.00 57.03 57.06 1jsi h ASP 86 Cb 0.16 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1jsi h ASP 86 CO -0.17 0.53 -0.79 1.56 -1.72 0.00 0.00 179.24 178.65 1jsi h GLN 87 N 0.87 0.53 -0.12 3.56 1.08 -1.01 -0.35 115.11 119.66 1jsi h GLN 87 Ca 0.24 -0.45 0.03 0.00 -1.45 0.00 0.00 58.65 57.02 1jsi h GLN 87 Cb -0.09 0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 1jsi h GLN 87 CO -0.06 1.08 -0.08 0.82 -0.95 0.00 0.00 178.83 179.65 1jsi h ILE 88 N 0.35 0.76 0.11 2.54 2.04 -0.89 0.75 117.51 123.17 1jsi h ILE 88 Ca -0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1jsi h ILE 88 Cb 1.39 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1jsi h ILE 88 CO 0.14 0.00 -0.05 -0.61 0.00 0.00 0.00 178.15 177.63 1jsi h GLN 89 N -0.08 -0.14 -0.89 2.37 4.15 -1.28 -1.95 115.11 117.29 1jsi h GLN 89 Ca 0.07 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 1jsi h GLN 89 Cb 0.19 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.87 1jsi h GLN 89 CO -0.17 -0.05 0.52 -0.44 -1.93 0.00 0.00 178.83 176.76 1jsi h ASP 90 N -0.19 1.09 0.03 -0.69 5.19 -0.87 0.11 116.42 121.08 1jsi h ASP 90 Ca -0.01 -0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1jsi h ASP 90 Cb 0.15 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.39 1jsi h ASP 90 CO 0.02 0.85 -0.01 0.40 -3.12 0.00 0.00 179.24 177.38 1jsi h ILE 91 N 1.24 1.24 -0.61 0.35 2.04 -0.77 -1.25 117.51 119.76 1jsi h ILE 91 Ca 0.32 -0.86 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 1jsi h ILE 91 Cb -0.02 1.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 1jsi h ILE 91 CO -0.06 0.22 0.21 -0.50 0.00 0.00 0.00 178.15 178.02 1jsi h TRP 92 N -0.41 0.92 -0.66 1.37 4.06 -1.24 0.29 115.95 120.28 1jsi h TRP 92 Ca -0.00 -0.07 -0.06 0.00 2.06 0.00 0.00 58.89 60.82 1jsi h TRP 92 Cb 0.39 -0.28 -0.03 0.00 -1.00 0.00 0.00 29.16 28.24 1jsi h TRP 92 CO 0.05 0.73 0.16 1.15 -3.56 0.00 0.00 178.44 176.97 1jsi h THR 93 N 0.88 1.25 -0.20 1.49 2.02 -0.73 -0.02 112.91 117.60 1jsi h THR 93 Ca 0.20 -0.93 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 1jsi h THR 93 Cb 0.23 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1jsi h THR 93 CO -0.01 0.35 0.06 0.22 0.37 0.00 0.00 175.52 176.52 1jsi h TYR 94 N 0.99 0.31 -0.53 3.16 3.20 -0.48 -1.23 116.97 122.40 1jsi h TYR 94 Ca 0.21 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.06 1jsi h TYR 94 Cb 0.35 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 1jsi h TYR 94 CO 0.03 0.39 0.35 -0.91 -1.64 0.00 0.00 178.16 176.37 1jsi h ASN 95 N 0.15 0.60 0.40 -2.11 2.35 -0.68 -1.23 115.58 115.07 1jsi h ASN 95 Ca 0.06 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1jsi h ASN 95 Cb 0.22 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1jsi h ASN 95 CO -0.00 0.43 -0.19 0.00 -1.65 0.00 0.00 177.43 176.02 1jsi h ALA 96 N 1.20 -0.54 -0.37 -0.83 0.00 -0.88 -1.23 119.26 116.61 1jsi h ALA 96 Ca 0.20 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1jsi h ALA 96 Cb -0.07 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1jsi h ALA 96 CO -0.05 -0.78 0.20 0.93 0.00 0.00 0.00 179.25 179.55 1jsi h GLU 97 N -0.58 0.40 -0.36 0.00 5.08 -1.11 -2.58 114.58 115.43 1jsi h GLU 97 Ca -0.06 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 1jsi h GLU 97 Cb 0.44 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1jsi h GLU 97 CO 0.09 0.26 -0.25 -0.07 -1.00 0.00 0.00 179.01 178.04 1jsi h LEU 98 N 0.41 0.76 -0.45 1.33 -0.00 -1.21 -1.28 115.31 114.86 1jsi h LEU 98 Ca 0.15 -0.28 0.01 0.00 -0.00 0.00 0.00 57.88 57.76 1jsi h LEU 98 Cb 0.03 -0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 40.46 1jsi h LEU 98 CO -0.09 0.98 0.28 0.25 -0.00 0.00 0.00 178.44 179.86 1jsi h LEU 99 N 0.64 0.46 -0.25 1.67 5.85 -1.04 0.27 115.31 122.90 1jsi h LEU 99 Ca 0.08 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1jsi h LEU 99 Cb 0.76 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1jsi h LEU 99 CO 0.06 0.33 -0.04 0.58 -0.34 0.00 0.00 178.44 179.03 1jsi h VAL 100 N 0.56 1.28 -0.38 1.05 2.07 -1.33 0.18 116.25 119.68 1jsi h VAL 100 Ca 0.17 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1jsi h VAL 100 Cb -0.02 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1jsi h VAL 100 CO -0.06 0.32 0.19 -0.07 0.02 0.00 0.00 177.57 177.97 1jsi h LEU 101 N 0.23 0.48 -0.21 2.57 3.38 -1.05 -0.22 115.31 120.50 1jsi h LEU 101 Ca 0.07 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1jsi h LEU 101 Cb 0.50 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1jsi h LEU 101 CO 0.02 0.45 -0.26 -0.07 0.09 0.00 0.00 178.44 178.68 1jsi h LEU 102 N 0.48 0.58 -1.13 1.67 4.07 -0.94 -2.91 115.31 117.13 1jsi h LEU 102 Ca 0.13 -0.50 -0.09 0.00 0.08 0.00 0.00 57.88 57.50 1jsi h LEU 102 Cb 0.09 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.65 1jsi h LEU 102 CO -0.02 0.97 -0.35 -0.33 -1.08 0.00 0.00 178.44 177.63 1jsi h GLU 103 N 0.21 0.16 -0.94 1.13 4.39 -0.93 -2.65 114.58 115.95 1jsi h GLU 103 Ca 0.03 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.67 1jsi h GLU 103 Cb 0.82 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.42 1jsi h GLU 103 CO 0.06 0.49 0.63 -0.91 -1.16 0.00 0.00 179.01 178.12 1jsi h ASN 104 N 0.14 1.08 -0.33 1.42 2.35 -0.94 0.82 115.58 120.13 1jsi h ASN 104 Ca 0.02 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 1jsi h ASN 104 Cb 0.69 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1jsi h ASN 104 CO 0.05 0.78 0.11 -0.61 -1.65 0.00 0.00 177.43 176.11 1jsi h GLN 105 N 1.27 0.51 -0.54 0.81 5.75 -1.28 -1.75 115.11 119.88 1jsi h GLN 105 Ca 0.35 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.73 1jsi h GLN 105 Cb -0.14 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.31 1jsi h GLN 105 CO -0.08 0.54 0.29 0.87 -2.65 0.00 0.00 178.83 177.80 1jsi h LYS 106 N 0.38 0.75 -0.24 1.69 1.57 -1.16 -0.81 116.57 118.75 1jsi h LYS 106 Ca 0.11 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1jsi h LYS 106 Cb 0.24 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1jsi h LYS 106 CO -0.00 0.59 0.13 1.15 -0.57 0.00 0.00 179.45 180.74 1jsi h THR 107 N 0.72 1.00 -0.75 -0.16 2.02 -0.72 0.18 112.91 115.20 1jsi h THR 107 Ca 0.19 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.26 1jsi h THR 107 Cb 0.06 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.15 1jsi h THR 107 CO -0.03 0.05 0.39 -0.07 0.37 0.00 0.00 175.52 176.23 1jsi h LEU 108 N 0.27 0.96 -0.94 2.58 3.38 -1.07 -2.48 115.31 117.99 1jsi h LEU 108 Ca 0.10 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1jsi h LEU 108 Cb 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1jsi h LEU 108 CO -0.06 0.80 -0.48 0.44 0.09 0.00 0.00 178.44 179.22 1jsi h ASP 109 N 1.05 0.00 -0.38 -0.43 3.32 -0.74 -2.78 116.42 116.46 1jsi h ASP 109 Ca 0.26 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.17 1jsi h ASP 109 Cb 0.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1jsi h ASP 109 CO -0.04 0.48 -0.32 -0.08 -1.72 0.00 0.00 179.24 177.56 1jsi h GLU 110 N 0.00 0.89 -0.87 3.56 4.81 -0.23 -0.33 114.58 122.40 1jsi h GLU 110 Ca -0.00 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1jsi h GLU 110 Cb 0.93 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.27 1jsi h GLU 110 CO 0.06 1.10 0.55 0.45 -0.73 0.00 0.00 179.01 180.43 1jsi h HIS 111 N 0.70 1.13 -0.42 0.92 3.86 -1.38 0.18 115.15 120.14 1jsi h HIS 111 Ca 0.07 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.30 1jsi h HIS 111 Cb 0.91 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 28.98 1jsi h HIS 111 CO 0.06 0.74 0.26 0.22 0.86 0.00 0.00 177.93 180.08 1jsi h ASP 112 N 1.19 0.44 -0.59 2.45 -0.00 -1.23 -1.59 116.42 117.10 1jsi h ASP 112 Ca 0.32 -0.00 -0.08 0.00 -0.00 0.00 0.00 57.03 57.26 1jsi h ASP 112 Cb -0.08 -0.10 -0.02 0.00 -0.00 0.00 0.00 39.33 39.12 1jsi h ASP 112 CO -0.06 0.32 0.06 0.00 -0.00 0.00 0.00 179.24 179.56 1jsi h ALA 113 N 1.17 0.95 -0.40 -0.78 0.00 -0.40 -1.18 119.26 118.61 1jsi h ALA 113 Ca 0.16 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1jsi h ALA 113 Cb -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1jsi h ALA 113 CO -0.06 0.65 0.09 -0.91 0.00 0.00 0.00 179.25 179.02 1jsi h ASN 114 N 0.95 0.55 -0.20 0.00 2.35 -0.06 0.36 115.58 119.54 1jsi h ASN 114 Ca 0.18 -0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.75 1jsi h ASN 114 Cb 0.47 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 1jsi h ASN 114 CO 0.02 0.56 -0.29 0.58 -1.65 0.00 0.00 177.43 176.65 1jsi h VAL 115 N 0.58 1.33 -0.55 2.81 2.07 -0.95 -1.85 116.25 119.69 1jsi h VAL 115 Ca 0.13 -1.50 -0.00 0.00 0.82 0.00 0.00 66.70 66.16 1jsi h VAL 115 Cb 0.23 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1jsi h VAL 115 CO -0.00 0.46 0.34 -1.13 0.02 0.00 0.00 177.57 177.26 1jsi h ASN 116 N 0.21 0.65 -0.21 0.57 -1.24 -0.66 -0.49 115.58 114.41 1jsi h ASN 116 Ca 0.02 -0.05 -0.05 0.00 0.71 0.00 0.00 56.30 56.93 1jsi h ASN 116 Cb 0.86 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.73 1jsi h ASN 116 CO 0.07 0.51 -0.03 0.78 -1.29 0.00 0.00 177.43 177.46 1jsi h ASN 117 N 0.74 0.49 -0.22 1.15 2.35 -0.24 -0.77 115.58 119.08 1jsi h ASN 117 Ca 0.20 -0.10 -0.11 0.00 -0.55 0.00 0.00 56.30 55.74 1jsi h ASN 117 Cb -0.03 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.21 1jsi h ASN 117 CO -0.04 0.58 -0.30 0.25 -1.65 0.00 0.00 177.43 176.27 1jsi h LEU 118 N 0.49 0.65 -0.53 1.61 5.85 -0.84 -1.76 115.31 120.77 1jsi h LEU 118 Ca 0.10 -0.51 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1jsi h LEU 118 Cb 0.37 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1jsi h LEU 118 CO 0.01 1.03 0.28 0.22 -0.34 0.00 0.00 178.44 179.65 1jsi h TYR 119 N 0.28 0.74 0.00 1.25 3.20 -0.86 -2.44 116.97 119.14 1jsi h TYR 119 Ca 0.02 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 1jsi h TYR 119 Cb 0.88 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 1jsi h TYR 119 CO 0.08 0.55 -0.30 -0.91 -1.64 0.00 0.00 178.16 175.95 1jsi h ASN 120 N 0.71 0.00 -0.19 -2.11 2.35 -1.12 -1.26 115.58 113.95 1jsi h ASN 120 Ca 0.19 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.90 1jsi h ASN 120 Cb 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1jsi h ASN 120 CO -0.03 0.30 -0.03 0.50 -1.65 0.00 0.00 177.43 176.52 1jsi h LYS 121 N 0.00 0.36 -0.49 0.81 3.11 -0.87 -1.49 116.57 118.01 1jsi h LYS 121 Ca -0.00 -0.13 -0.11 0.00 -2.81 0.00 0.00 60.65 57.60 1jsi h LYS 121 Cb 0.68 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.87 1jsi h LYS 121 CO 0.04 0.61 -0.11 0.28 -2.81 0.00 0.00 179.45 177.45 1jsi h VAL 122 N 0.09 1.27 -0.88 2.00 2.07 -1.24 -1.73 116.25 117.83 1jsi h VAL 122 Ca 0.05 -1.25 0.01 0.00 0.82 0.00 0.00 66.70 66.33 1jsi h VAL 122 Cb 0.46 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1jsi h VAL 122 CO 0.02 0.43 0.58 0.50 0.02 0.00 0.00 177.57 179.12 1jsi h LYS 123 N 0.79 1.16 -0.45 1.57 3.64 -1.18 -0.22 116.57 121.89 1jsi h LYS 123 Ca 0.12 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1jsi h LYS 123 Cb 0.67 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1jsi h LYS 123 CO 0.05 0.77 0.12 -0.09 -2.27 0.00 0.00 179.45 178.03 1jsi h ARG 124 N 1.19 0.71 -0.32 1.90 2.43 -1.07 -2.54 114.38 116.69 1jsi h ARG 124 Ca 0.32 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1jsi h ARG 124 Cb -0.13 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 1jsi h ARG 124 CO -0.07 0.70 0.11 0.00 -1.51 0.00 0.00 179.97 179.21 1jsi h ALA 125 N 0.98 0.42 -0.43 2.80 0.00 -0.78 -3.10 119.26 119.15 1jsi h ALA 125 Ca 0.14 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1jsi h ALA 125 Cb 0.30 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1jsi h ALA 125 CO -0.00 0.04 0.04 -0.07 0.00 0.00 0.00 179.25 179.26 1jsi h LEU 126 N 0.36 0.63 0.00 0.00 3.38 -1.00 -3.20 115.31 115.49 1jsi h LEU 126 Ca 0.10 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1jsi h LEU 126 Cb 0.22 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1jsi h LEU 126 CO -0.01 0.68 0.00 0.61 0.09 0.00 0.00 178.44 179.81 1jsi n GLY 127 N -0.83 2.59 0.80 0.83 0.00 -0.96 -2.13 105.19 105.48 1jsi n GLY 127 Ca 0.02 -0.39 0.05 0.00 0.00 0.00 0.00 46.02 45.71 1jsi n GLY 127 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jsi n SER 128 N 3.20 2.27 -0.30 1.61 3.41 -1.26 -3.87 113.62 118.68 1jsi n SER 128 Ca 0.00 -2.12 0.10 0.00 -0.26 0.00 0.00 58.87 56.59 1jsi n SER 128 Cb 0.00 -0.33 0.48 0.00 -0.26 0.00 0.00 64.21 64.09 1jsi n SER 128 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1jsi n ASN 129 N 0.47 0.91 -3.70 4.04 3.02 -0.91 -4.88 115.26 114.21 1jsi n ASN 129 Ca 0.12 -1.55 -0.10 0.00 -0.03 0.00 0.00 54.58 53.02 1jsi n ASN 129 Cb 0.41 -0.05 -0.04 0.00 -0.61 0.00 0.00 39.78 39.49 1jsi n ASN 129 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jsi s ALA 130 N -1.90 -0.89 -0.02 5.41 0.00 -1.25 -0.70 121.76 122.41 1jsi s ALA 130 Ca 0.31 -0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.13 1jsi s ALA 130 Cb 0.16 0.80 -0.00 0.00 0.00 0.00 0.00 23.12 24.07 1jsi s ALA 130 CO 0.25 -0.73 -0.12 0.00 0.00 0.00 0.00 175.76 175.16 1jsi s MET 131 N -3.85 1.12 0.20 0.00 0.23 -0.70 -4.93 119.30 111.37 1jsi s MET 131 Ca 0.07 -0.42 -0.30 0.00 -1.03 0.00 0.00 55.69 54.01 1jsi s MET 131 Cb 0.00 -1.05 -0.08 0.00 -1.53 0.00 0.00 34.83 32.17 1jsi s MET 131 CO -0.07 0.20 1.21 -1.21 -2.03 0.00 0.00 175.02 173.13 1jsi s GLU 132 N -0.05 4.48 0.00 3.16 2.02 -1.26 -0.64 118.70 126.41 1jsi s GLU 132 Ca 0.00 1.92 0.26 0.00 0.02 0.00 0.00 54.97 57.17 1jsi s GLU 132 Cb -0.07 -3.22 0.90 0.00 0.10 0.00 0.00 34.13 31.83 1jsi s GLU 132 CO 0.00 -0.10 1.66 -0.40 0.02 0.00 0.00 175.26 176.44 1jsi n ASP 133 N 2.37 1.73 0.00 -0.19 5.75 -0.90 -4.92 116.55 120.40 1jsi n ASP 133 Ca 0.04 -1.60 0.00 0.00 -0.01 0.00 0.00 54.79 53.23 1jsi n ASP 133 Cb 0.44 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 1jsi n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jsi n GLY 134 N 1.20 0.55 0.00 6.12 0.00 -1.26 -4.87 105.19 106.92 1jsi n GLY 134 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1jsi n GLY 134 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jsi n LYS 135 N -2.33 2.11 0.00 1.61 5.02 -1.26 -4.81 118.16 118.49 1jsi n LYS 135 Ca 0.00 -1.21 0.00 0.00 -2.02 0.00 0.00 58.31 55.08 1jsi n LYS 135 Cb 0.05 -0.88 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 1jsi n LYS 135 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jsi n GLY 136 N -0.36 0.77 3.69 0.72 0.00 -1.26 -4.38 105.19 104.37 1jsi n GLY 136 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1jsi n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jsi s PHE 138 N -1.98 2.82 -0.56 0.00 0.40 -1.26 -2.11 117.98 115.28 1jsi s PHE 138 Ca 0.30 -1.89 -0.27 0.00 -0.60 0.00 0.00 56.93 54.47 1jsi s PHE 138 Cb -0.08 -1.81 0.03 0.00 0.51 0.00 0.00 43.02 41.67 1jsi s PHE 138 CO 0.20 -0.81 1.11 -1.21 0.70 0.00 0.00 175.22 175.21 1jsi s GLU 139 N 1.26 3.48 0.40 0.44 0.41 0.19 -4.85 118.70 120.03 1jsi s GLU 139 Ca -0.03 0.12 -0.25 0.00 -0.41 0.00 0.00 54.97 54.40 1jsi s GLU 139 Cb -0.17 -4.01 -0.08 0.00 -1.78 0.00 0.00 34.13 28.08 1jsi s GLU 139 CO -0.08 -1.59 1.19 -0.51 -0.49 0.00 0.00 175.26 173.78 1jsi s LEU 140 N 4.59 4.21 0.00 1.80 1.43 -1.26 -1.73 118.68 127.72 1jsi s LEU 140 Ca 0.39 2.40 0.28 0.00 -1.03 0.00 0.00 54.13 56.18 1jsi s LEU 140 Cb -0.09 -3.99 1.08 0.00 0.03 0.00 0.00 46.19 43.22 1jsi s LEU 140 CO 0.24 -0.69 1.76 -1.22 0.23 0.00 0.00 176.35 176.67 1jsi n TYR 141 N 0.12 0.00 -4.16 0.29 0.53 0.12 -4.87 117.16 109.18 1jsi n TYR 141 Ca 0.04 0.00 -0.12 0.00 -1.02 0.00 0.00 57.90 56.80 1jsi n TYR 141 Cb 0.46 -0.03 -0.10 0.00 -1.03 0.00 0.00 39.34 38.64 1jsi n TYR 141 CO 0.00 0.00 0.00 -3.38 -1.02 0.00 0.00 176.86 172.46 1jsi s HIS 142 N -2.09 0.92 0.45 -0.72 -3.43 -1.26 -5.10 115.29 104.06 1jsi s HIS 142 Ca 0.36 -0.81 -0.24 0.00 -0.80 0.00 0.00 55.06 53.57 1jsi s HIS 142 Cb 0.21 -0.52 -0.07 0.00 -1.43 0.00 0.00 32.58 30.76 1jsi s HIS 142 CO 0.37 -0.10 1.31 0.15 -2.00 0.00 0.00 174.74 174.47 1jsi s LYS 143 N -3.38 3.69 -0.30 -0.38 -0.14 -1.26 -4.99 119.74 112.98 1jsi s LYS 143 Ca 0.08 2.14 -0.01 0.00 -1.36 0.00 0.00 55.97 56.83 1jsi s LYS 143 Cb 0.02 -2.56 0.13 0.00 -1.68 0.00 0.00 37.83 33.74 1jsi s LYS 143 CO -0.03 -0.71 0.26 0.00 -0.76 0.00 0.00 175.35 174.11 1jsi s ASP 145 N 2.15 3.90 0.36 0.00 3.84 -1.26 -4.53 116.67 121.13 1jsi s ASP 145 Ca 0.10 0.84 0.18 0.00 -0.00 0.00 0.00 52.55 53.67 1jsi s ASP 145 Cb -0.15 -1.35 1.23 0.00 -1.38 0.00 0.00 42.92 41.27 1jsi s ASP 145 CO -0.29 -2.29 1.62 0.44 -0.00 0.00 0.00 175.17 174.65 1jsi h ASP 146 N -1.32 0.42 -0.49 2.11 5.19 -1.99 0.79 116.42 121.12 1jsi h ASP 146 Ca -0.48 0.23 -0.12 0.00 -0.62 0.00 0.00 57.03 56.03 1jsi h ASP 146 Cb 1.33 0.21 -0.02 0.00 0.18 0.00 0.00 39.33 41.03 1jsi h ASP 146 CO 0.62 -0.29 -0.17 1.56 -3.12 0.00 0.00 179.24 177.84 1jsi h GLN 147 N 0.16 1.00 0.12 3.56 1.08 -1.99 0.49 115.11 119.52 1jsi h GLN 147 Ca 0.80 -0.40 -0.01 0.00 -1.45 0.00 0.00 58.65 57.59 1jsi h GLN 147 Cb 1.98 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 29.36 1jsi h GLN 147 CO -0.69 1.07 -0.06 0.00 -0.95 0.00 0.00 178.83 178.20 1jsi h MET 149 N -0.37 0.66 -0.25 0.00 2.86 -0.16 0.97 114.93 118.65 1jsi h MET 149 Ca -0.02 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1jsi h MET 149 Cb 0.30 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1jsi h MET 149 CO 0.03 0.44 -0.02 1.49 1.06 0.00 0.00 176.91 179.90 1jsi h GLU 150 N 0.68 0.37 -0.22 1.72 4.57 -0.59 -1.97 114.58 119.14 1jsi h GLU 150 Ca 0.57 -0.07 -0.11 0.00 -1.18 0.00 0.00 59.36 58.57 1jsi h GLU 150 Cb 0.92 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.44 1jsi h GLU 150 CO -0.41 0.42 -0.33 1.79 -1.18 0.00 0.00 179.01 179.30 1jsi h THR 151 N 0.36 1.28 -0.25 0.32 1.35 -0.51 0.61 112.91 116.08 1jsi h THR 151 Ca 0.08 -1.40 -0.05 0.00 -0.55 0.00 0.00 66.41 64.49 1jsi h THR 151 Cb 0.28 1.48 -0.01 0.00 -1.73 0.00 0.00 68.15 68.17 1jsi h THR 151 CO 0.01 0.44 -0.02 0.40 -0.25 0.00 0.00 175.52 176.09 1jsi h ILE 152 N 0.39 1.27 -0.20 6.82 2.04 -1.13 0.28 117.51 126.97 1jsi h ILE 152 Ca 0.05 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 1jsi h ILE 152 Cb 0.76 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1jsi h ILE 152 CO 0.06 0.30 0.07 0.03 0.00 0.00 0.00 178.15 178.61 1jsi h ARG 153 N 0.22 0.31 -0.50 2.37 3.08 -1.09 -2.84 114.38 115.92 1jsi h ARG 153 Ca 0.07 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1jsi h ARG 153 Cb 0.46 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1jsi h ARG 153 CO 0.02 0.40 0.00 0.27 -1.07 0.00 0.00 179.97 179.59 1jsi n ASN 154 N -4.80 1.81 -3.25 7.04 0.23 0.18 -4.93 115.26 111.54 1jsi n ASN 154 Ca -0.04 -2.13 -0.20 0.00 -0.53 0.00 0.00 54.58 51.68 1jsi n ASN 154 Cb 0.14 -0.33 0.07 0.00 -2.08 0.00 0.00 39.78 37.59 1jsi n ASN 154 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jsi n GLY 155 N 0.60 -0.37 0.21 4.83 0.00 -0.76 -4.92 105.19 104.79 1jsi n GLY 155 Ca 0.08 0.14 0.04 0.00 0.00 0.00 0.00 46.02 46.28 1jsi n GLY 155 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jsi n THR 156 N -4.58 0.89 -1.67 2.61 -2.24 0.91 -5.03 114.28 105.17 1jsi n THR 156 Ca -0.04 -1.05 -0.46 0.00 -2.27 0.00 0.00 64.05 60.23 1jsi n THR 156 Cb 0.57 0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 69.01 1jsi n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jsi n TYR 157 N -0.65 2.32 -2.98 4.78 9.36 -0.88 -4.91 117.16 124.21 1jsi n TYR 157 Ca 0.07 0.17 -0.41 0.00 3.32 0.00 0.00 57.90 61.05 1jsi n TYR 157 Cb 0.60 -2.59 -0.05 0.00 -0.63 0.00 0.00 39.34 36.67 1jsi n TYR 157 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1jsi s ASN 158 N 1.74 6.71 0.00 2.98 6.03 -1.26 -4.30 114.94 126.83 1jsi s ASN 158 Ca 0.82 0.86 0.00 0.00 -1.03 0.00 0.00 52.86 53.51 1jsi s ASN 158 Cb -0.66 -2.39 0.00 0.00 -3.03 0.00 0.00 41.25 35.16 1jsi s ASN 158 CO 0.41 -0.47 0.00 -2.11 -2.03 0.00 0.00 177.10 172.89 1jsi n ARG 159 N 5.92 0.00 0.00 3.55 -4.01 -1.26 -5.12 116.66 115.74 1jsi n ARG 159 Ca 0.03 0.00 0.09 0.00 -1.04 0.00 0.00 57.85 56.93 1jsi n ARG 159 Cb 0.48 0.00 0.54 0.00 -3.04 0.00 0.00 32.46 30.44 1jsi n ARG 159 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13