#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jsm h LEU 2 N 0.00 0.39 -1.63 0.99 3.38 -1.94 -1.07 115.31 115.43 1jsm h LEU 2 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1jsm h LEU 2 Cb 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1jsm h LEU 2 CO 0.00 0.15 0.00 0.49 0.09 0.00 0.00 178.44 179.17 1jsm n PHE 3 N -4.51 0.17 -1.00 1.13 3.01 -1.26 -4.98 117.46 110.03 1jsm n PHE 3 Ca 0.19 -0.09 -0.00 0.00 1.01 0.00 0.00 57.45 58.57 1jsm n PHE 3 Cb 0.71 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 40.18 1jsm n PHE 3 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jsm n GLY 4 N 1.30 0.14 0.01 1.37 0.00 -0.41 -4.90 105.19 102.70 1jsm n GLY 4 Ca 0.17 -0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.18 1jsm n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jsm n ALA 5 N 1.00 0.05 -1.69 4.61 0.00 -1.26 -0.83 120.51 122.39 1jsm n ALA 5 Ca -0.00 -0.18 -0.43 0.00 0.00 0.00 0.00 53.44 52.83 1jsm n ALA 5 Cb 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.78 1jsm n ALA 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1jsm n ILE 6 N -2.50 0.34 -3.13 0.00 5.41 -1.26 0.17 119.36 118.39 1jsm n ILE 6 Ca -0.01 -0.06 -0.22 0.00 1.00 0.00 0.00 62.75 63.46 1jsm n ILE 6 Cb 0.03 -2.06 0.01 0.00 -0.71 0.00 0.00 39.64 36.91 1jsm n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1jsm n ALA 7 N 5.49 -1.00 -2.11 -1.39 0.00 -1.12 -3.92 120.51 116.46 1jsm n ALA 7 Ca 0.18 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1jsm n ALA 7 Cb 0.36 -3.21 0.00 0.00 0.00 0.00 0.00 19.45 16.60 1jsm n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jsm n GLY 8 N -1.31 3.03 0.01 0.00 0.00 0.13 -4.64 105.19 102.41 1jsm n GLY 8 Ca -0.07 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.70 1jsm n GLY 8 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1jsm n PHE 9 N 0.00 0.11 -3.93 1.61 1.16 -0.01 -3.38 117.46 113.01 1jsm n PHE 9 Ca 0.00 0.04 -0.31 0.00 -1.87 0.00 0.00 57.45 55.31 1jsm n PHE 9 Cb 0.00 -0.56 -0.14 0.00 -1.61 0.00 0.00 39.48 37.17 1jsm n PHE 9 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1jsm s ILE 10 N -3.03 2.69 0.34 1.97 1.01 -0.99 -3.98 121.20 119.20 1jsm s ILE 10 Ca 0.09 -3.23 0.12 0.00 0.00 0.00 0.00 60.65 57.63 1jsm s ILE 10 Cb 0.13 -2.86 0.33 0.00 0.01 0.00 0.00 42.46 40.07 1jsm s ILE 10 CO 0.37 -0.80 1.73 -0.33 0.00 0.00 0.00 174.94 175.92 1jsm h GLU 11 N 6.62 0.50 -4.54 2.79 3.07 -1.80 -2.97 114.58 118.26 1jsm h GLU 11 Ca -0.07 -0.03 -0.25 0.00 -0.50 0.00 0.00 59.36 58.51 1jsm h GLU 11 Cb 0.90 -0.11 -0.14 0.00 -0.84 0.00 0.00 28.75 28.56 1jsm h GLU 11 CO 0.68 0.33 -0.56 0.20 -1.40 0.00 0.00 179.01 178.27 1jsm s GLY 12 N -3.95 1.47 0.54 -3.84 0.00 -1.26 -4.32 107.32 95.96 1jsm s GLY 12 Ca -0.10 -1.67 0.03 0.00 0.00 0.00 0.00 44.72 42.98 1jsm s GLY 12 CO 0.80 -1.34 0.75 -0.32 0.00 0.00 0.00 173.10 172.99 1jsm s GLY 13 N -3.17 1.84 -0.32 0.20 0.00 -1.26 -4.91 107.32 99.69 1jsm s GLY 13 Ca 0.38 -1.52 -0.04 0.00 0.00 0.00 0.00 44.72 43.54 1jsm s GLY 13 CO 0.14 -1.21 0.06 -0.98 0.00 0.00 0.00 173.10 171.10 1jsm s TRP 14 N -2.70 3.28 0.44 1.90 0.51 -1.26 -4.94 118.94 116.17 1jsm s TRP 14 Ca 0.58 -1.71 0.24 0.00 -2.12 0.00 0.00 56.10 53.10 1jsm s TRP 14 Cb -0.09 -2.25 1.38 0.00 -0.81 0.00 0.00 33.47 31.69 1jsm s TRP 14 CO 0.38 -0.78 2.07 1.96 -0.51 0.00 0.00 176.95 180.07 1jsm h GLN 15 N 8.10 0.00 0.00 4.98 1.08 -2.03 -2.55 115.11 124.69 1jsm h GLN 15 Ca -0.22 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 1jsm h GLN 15 Cb 1.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.50 1jsm h GLN 15 CO 0.57 0.12 0.00 0.41 -0.95 0.00 0.00 178.83 178.99 1jsm n GLY 16 N -0.83 -1.28 3.27 3.46 0.00 -1.26 -4.47 105.19 104.09 1jsm n GLY 16 Ca -0.02 -0.08 -0.44 0.00 0.00 0.00 0.00 46.02 45.48 1jsm n GLY 16 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1jsm s MET 17 N -3.00 2.92 0.00 1.61 -2.45 -0.96 -4.84 119.30 112.57 1jsm s MET 17 Ca 0.11 -1.92 0.20 0.00 -1.25 0.00 0.00 55.69 52.83 1jsm s MET 17 Cb 0.15 -4.17 0.28 0.00 1.25 0.00 0.00 34.83 32.33 1jsm s MET 17 CO 0.41 -1.27 1.24 1.55 1.05 0.00 0.00 175.02 178.00 1jsm n VAL 18 N 4.80 0.29 0.76 10.11 3.14 -1.26 -4.36 118.33 131.81 1jsm n VAL 18 Ca -0.06 -0.64 0.13 0.00 -2.96 0.00 0.00 64.34 60.81 1jsm n VAL 18 Cb 0.41 1.16 0.46 0.00 -1.06 0.00 0.00 33.84 34.82 1jsm n VAL 18 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1jsm n ASP 19 N 1.21 0.53 0.00 6.55 2.03 -1.26 -5.01 116.55 120.60 1jsm n ASP 19 Ca 0.15 0.51 0.00 0.00 0.52 0.00 0.00 54.79 55.96 1jsm n ASP 19 Cb 0.53 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 1jsm n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jsm n GLY 20 N 1.38 -1.15 0.14 0.27 0.00 -1.26 -4.80 105.19 99.77 1jsm n GLY 20 Ca 0.06 -0.91 -0.22 0.00 0.00 0.00 0.00 46.02 44.95 1jsm n GLY 20 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1jsm h TRP 21 N 0.00 0.67 -4.16 1.61 6.55 -1.90 -3.47 115.95 115.24 1jsm h TRP 21 Ca 0.00 -0.49 -0.57 0.00 0.95 0.00 0.00 58.89 58.79 1jsm h TRP 21 Cb 0.00 -0.03 -0.26 0.00 -0.86 0.00 0.00 29.16 28.02 1jsm h TRP 21 CO 0.00 1.64 -0.84 0.71 -1.05 0.00 0.00 178.44 178.90 1jsm s TYR 22 N -2.58 1.75 0.00 0.49 4.12 -1.26 -5.06 117.35 114.80 1jsm s TYR 22 Ca -0.15 -0.37 0.00 0.00 0.02 0.00 0.00 57.07 56.57 1jsm s TYR 22 Cb 0.06 -1.04 0.00 0.00 -1.52 0.00 0.00 41.96 39.45 1jsm s TYR 22 CO 0.85 0.08 0.00 0.41 0.02 0.00 0.00 175.55 176.91 1jsm n GLY 23 N 1.86 1.40 3.46 0.71 0.00 -1.26 -0.18 105.19 111.19 1jsm n GLY 23 Ca -0.17 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 44.89 1jsm n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jsm s TYR 24 N -3.14 2.12 -0.20 1.61 1.51 -0.17 -4.88 117.35 114.21 1jsm s TYR 24 Ca 0.00 -0.57 -0.04 0.00 -1.01 0.00 0.00 57.07 55.45 1jsm s TYR 24 Cb 0.00 -1.15 0.08 0.00 -0.11 0.00 0.00 41.96 40.77 1jsm s TYR 24 CO 0.00 0.45 0.13 -1.58 -1.11 0.00 0.00 175.55 173.44 1jsm s HIS 25 N -2.80 0.11 0.53 2.71 2.46 -1.26 -0.76 115.29 116.28 1jsm s HIS 25 Ca 0.30 -0.32 0.06 0.00 0.47 0.00 0.00 55.06 55.56 1jsm s HIS 25 Cb 0.02 -0.67 0.05 0.00 -0.13 0.00 0.00 32.58 31.85 1jsm s HIS 25 CO 0.13 -0.60 0.73 -3.38 -2.47 0.00 0.00 174.74 169.15 1jsm s HIS 26 N 2.17 2.32 -0.30 3.88 -3.43 -0.81 -4.93 115.29 114.18 1jsm s HIS 26 Ca 0.04 -0.37 -0.05 0.00 -0.80 0.00 0.00 55.06 53.88 1jsm s HIS 26 Cb -0.16 -2.51 0.18 0.00 -1.43 0.00 0.00 32.58 28.66 1jsm s HIS 26 CO -0.16 -0.88 0.73 0.45 -2.00 0.00 0.00 174.74 172.88 1jsm s SER 27 N -4.50 -1.12 0.00 7.38 0.15 -1.26 -3.13 113.70 111.23 1jsm s SER 27 Ca 0.59 0.77 0.00 0.00 0.70 0.00 0.00 55.95 58.01 1jsm s SER 27 Cb -0.08 1.97 0.00 0.00 -1.71 0.00 0.00 66.02 66.19 1jsm s SER 27 CO 0.37 -0.21 0.00 -0.46 1.20 0.00 0.00 173.24 174.14 1jsm n ASN 28 N 5.43 0.00 0.47 5.45 0.23 -0.34 -5.00 115.26 121.50 1jsm n ASN 28 Ca -0.03 0.00 -0.19 0.00 -0.53 0.00 0.00 54.58 53.82 1jsm n ASN 28 Cb 0.52 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.12 1jsm n ASN 28 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1jsm h GLU 29 N 0.00 -1.16 -0.81 -3.83 -0.00 -2.00 -3.07 114.58 103.70 1jsm h GLU 29 Ca 0.00 0.08 0.19 0.00 -0.00 0.00 0.00 59.36 59.63 1jsm h GLU 29 Cb 0.00 0.26 -0.05 0.00 -0.00 0.00 0.00 28.75 28.96 1jsm h GLU 29 CO 0.00 -0.77 0.55 1.96 -0.00 0.00 0.00 179.01 180.75 1jsm h GLN 30 N -1.27 0.29 0.00 1.06 4.20 -1.98 -3.48 115.11 113.93 1jsm h GLN 30 Ca -0.12 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.57 1jsm h GLN 30 Cb 0.93 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.64 1jsm h GLN 30 CO 0.20 0.19 0.00 0.41 -0.67 0.00 0.00 178.83 178.96 1jsm n GLY 31 N -1.56 0.14 3.37 3.46 0.00 -1.16 -5.14 105.19 104.29 1jsm n GLY 31 Ca 0.16 -1.32 -0.14 0.00 0.00 0.00 0.00 46.02 44.72 1jsm n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jsm s SER 32 N -4.00 0.76 0.00 1.61 1.04 -1.26 -1.20 113.70 110.64 1jsm s SER 32 Ca 0.00 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 54.98 1jsm s SER 32 Cb 0.00 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1jsm s SER 32 CO 0.00 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 173.75 1jsm n GLY 33 N -0.47 1.81 3.82 7.32 0.00 -1.18 -4.98 105.19 111.51 1jsm n GLY 33 Ca 0.03 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 1jsm n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jsm s TYR 34 N -2.00 3.36 -0.25 1.61 1.51 -1.26 -1.93 117.35 118.39 1jsm s TYR 34 Ca 0.00 0.23 -0.02 0.00 -1.01 0.00 0.00 57.07 56.27 1jsm s TYR 34 Cb 0.00 -1.75 0.14 0.00 -0.11 0.00 0.00 41.96 40.24 1jsm s TYR 34 CO 0.00 0.58 0.39 0.00 -1.11 0.00 0.00 175.55 175.41 1jsm s ALA 35 N -1.28 -1.17 0.43 3.71 0.00 0.06 -4.98 121.76 118.53 1jsm s ALA 35 Ca 0.26 0.86 -0.25 0.00 0.00 0.00 0.00 51.96 52.82 1jsm s ALA 35 Cb -0.12 -1.76 -0.08 0.00 0.00 0.00 0.00 23.12 21.16 1jsm s ALA 35 CO 0.17 -1.34 1.31 0.00 0.00 0.00 0.00 175.76 175.91 1jsm s ALA 36 N 2.56 3.20 -0.49 0.00 0.00 -1.26 -1.00 121.76 124.77 1jsm s ALA 36 Ca 0.13 1.24 -0.24 0.00 0.00 0.00 0.00 51.96 53.08 1jsm s ALA 36 Cb -0.15 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.51 1jsm s ALA 36 CO -0.18 -0.89 0.90 0.34 0.00 0.00 0.00 175.76 175.92 1jsm s ASP 37 N -0.79 6.42 0.39 0.00 2.15 0.75 -4.88 116.67 120.72 1jsm s ASP 37 Ca 0.59 -0.10 0.14 0.00 0.43 0.00 0.00 52.55 53.61 1jsm s ASP 37 Cb -0.38 -2.43 0.79 0.00 -0.30 0.00 0.00 42.92 40.60 1jsm s ASP 37 CO 0.48 -1.08 1.86 0.11 -0.17 0.00 0.00 175.17 176.37 1jsm h LYS 38 N 9.14 0.00 0.58 4.34 6.56 -1.92 -2.83 116.57 132.44 1jsm h LYS 38 Ca -0.25 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.31 1jsm h LYS 38 Cb 1.08 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.74 1jsm h LYS 38 CO 1.03 0.33 -0.28 0.93 -2.06 0.00 0.00 179.45 179.41 1jsm h GLU 39 N 0.00 -0.75 -0.78 3.15 5.08 -1.97 -1.61 114.58 117.71 1jsm h GLU 39 Ca -0.00 0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1jsm h GLU 39 Cb 0.60 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 1jsm h GLU 39 CO 0.04 -0.50 0.39 0.66 -1.00 0.00 0.00 179.01 178.60 1jsm h SER 40 N -1.03 1.00 0.18 1.42 4.64 -1.96 -0.81 113.55 116.99 1jsm h SER 40 Ca -0.08 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1jsm h SER 40 Cb 0.60 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1jsm h SER 40 CO 0.13 0.84 -0.15 0.74 -0.87 0.00 0.00 176.83 177.52 1jsm h THR 41 N 1.11 0.67 -0.44 2.95 2.02 -1.56 0.19 112.91 117.85 1jsm h THR 41 Ca 0.27 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.42 1jsm h THR 41 Cb 0.09 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1jsm h THR 41 CO -0.04 0.00 0.16 -0.61 0.37 0.00 0.00 175.52 175.40 1jsm h GLN 42 N -0.34 0.63 -0.55 6.66 5.75 -1.12 0.20 115.11 126.33 1jsm h GLN 42 Ca -0.00 -0.09 -0.08 0.00 -0.15 0.00 0.00 58.65 58.33 1jsm h GLN 42 Cb 0.31 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 1jsm h GLN 42 CO -0.02 0.53 0.03 -0.22 -2.65 0.00 0.00 178.83 176.50 1jsm h LYS 43 N 0.62 0.91 -0.21 1.69 1.63 -0.49 -0.14 116.57 120.59 1jsm h LYS 43 Ca 0.15 -0.25 -0.04 0.00 -0.85 0.00 0.00 60.65 59.65 1jsm h LYS 43 Cb 0.16 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 1jsm h LYS 43 CO -0.01 0.89 -0.04 0.00 -3.45 0.00 0.00 179.45 176.83 1jsm h ALA 44 N 1.17 0.29 -0.56 5.00 0.00 0.49 -2.46 119.26 123.20 1jsm h ALA 44 Ca 0.16 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1jsm h ALA 44 Cb 0.46 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1jsm h ALA 44 CO 0.02 0.06 0.26 0.82 0.00 0.00 0.00 179.25 180.42 1jsm h ILE 45 N 0.13 0.90 -0.81 0.00 2.04 -0.09 -0.63 117.51 119.06 1jsm h ILE 45 Ca 0.05 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 1jsm h ILE 45 Cb 0.49 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1jsm h ILE 45 CO 0.02 0.09 0.34 0.44 0.00 0.00 0.00 178.15 179.04 1jsm h ASP 46 N 0.50 1.11 0.17 1.72 3.32 -0.99 -1.41 116.42 120.84 1jsm h ASP 46 Ca 0.26 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1jsm h ASP 46 Cb 0.21 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1jsm h ASP 46 CO -0.20 0.97 -0.08 1.23 -1.72 0.00 0.00 179.24 179.44 1jsm h GLY 47 N 1.18 -0.24 0.99 2.75 0.00 -0.82 -2.01 103.07 104.91 1jsm h GLY 47 Ca 0.27 0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 1jsm h GLY 47 CO -0.02 -0.09 0.28 -0.84 0.00 0.00 0.00 176.54 175.86 1jsm h THR 48 N -0.27 1.21 -0.53 4.70 2.02 -1.07 -1.51 112.91 117.46 1jsm h THR 48 Ca -0.02 -0.60 0.04 0.00 0.77 0.00 0.00 66.41 66.60 1jsm h THR 48 Cb 0.21 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 1jsm h THR 48 CO 0.04 0.24 0.29 0.74 0.37 0.00 0.00 175.52 177.20 1jsm h THR 49 N 0.79 0.98 -0.63 3.16 2.02 -1.17 -0.02 112.91 118.06 1jsm h THR 49 Ca 0.20 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 1jsm h THR 49 Cb 0.12 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 1jsm h THR 49 CO -0.02 0.10 0.31 0.78 0.37 0.00 0.00 175.52 177.06 1jsm h ASN 50 N 0.56 0.81 -0.32 4.18 2.35 -1.20 -1.60 115.58 120.36 1jsm h ASN 50 Ca 0.23 -0.13 0.02 0.00 -0.55 0.00 0.00 56.30 55.88 1jsm h ASN 50 Cb 0.11 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 1jsm h ASN 50 CO -0.14 0.71 0.15 0.50 -1.65 0.00 0.00 177.43 177.00 1jsm h LYS 51 N 0.86 0.31 -0.11 0.81 3.64 -0.42 0.29 116.57 121.95 1jsm h LYS 51 Ca 0.22 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1jsm h LYS 51 Cb 0.11 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1jsm h LYS 51 CO -0.03 0.20 0.07 0.28 -2.27 0.00 0.00 179.45 177.70 1jsm h VAL 52 N 0.32 1.05 -0.95 2.00 2.07 -0.82 -1.49 116.25 118.42 1jsm h VAL 52 Ca 0.14 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.55 1jsm h VAL 52 Cb 0.06 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 1jsm h VAL 52 CO -0.10 0.05 0.63 0.78 0.02 0.00 0.00 177.57 178.94 1jsm h ASN 53 N 0.12 1.09 -0.39 0.57 2.35 -0.94 -2.03 115.58 116.35 1jsm h ASN 53 Ca 0.04 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 1jsm h ASN 53 Cb 0.02 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 1jsm h ASN 53 CO -0.01 0.78 0.10 0.28 -1.65 0.00 0.00 177.43 176.94 1jsm h SER 54 N 1.28 0.58 -0.13 5.81 0.02 -0.08 -0.96 113.55 120.07 1jsm h SER 54 Ca 0.35 -0.22 0.03 0.00 -0.84 0.00 0.00 61.79 61.11 1jsm h SER 54 Cb -0.13 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.23 1jsm h SER 54 CO -0.08 0.65 -0.05 0.40 -1.14 0.00 0.00 176.83 176.62 1jsm h ILE 55 N 0.48 0.83 0.87 3.27 2.04 -0.88 0.65 117.51 124.77 1jsm h ILE 55 Ca 0.12 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.94 1jsm h ILE 55 Cb 0.29 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1jsm h ILE 55 CO -0.00 0.00 -0.50 0.40 0.00 0.00 0.00 178.15 178.05 1jsm h ILE 56 N -0.02 0.00 -0.93 -0.67 2.04 -1.27 -2.62 117.51 114.04 1jsm h ILE 56 Ca 0.07 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.15 1jsm h ILE 56 Cb 0.12 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.14 1jsm h ILE 56 CO -0.15 0.00 0.62 0.44 0.00 0.00 0.00 178.15 179.06 1jsm h ASP 57 N -1.27 0.38 1.09 1.72 3.32 -0.99 0.48 116.42 121.14 1jsm h ASP 57 Ca -0.12 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 1jsm h ASP 57 Cb 1.00 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.53 1jsm h ASP 57 CO 0.14 0.13 -0.02 0.11 -1.72 0.00 0.00 179.24 177.89 1jsm h LYS 58 N 0.37 0.00 -1.13 3.56 1.79 -0.56 -3.10 116.57 117.50 1jsm h LYS 58 Ca 0.49 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 58.28 1jsm h LYS 58 Cb 1.29 0.00 -0.29 0.00 -1.58 0.00 0.00 32.23 31.65 1jsm h LYS 58 CO -0.18 0.02 0.82 -1.33 -1.08 0.00 0.00 179.45 177.70 1jsm n MET 59 N -3.12 2.74 0.00 3.15 2.81 0.17 -4.37 117.12 118.50 1jsm n MET 59 Ca 0.01 -3.37 0.05 0.00 -1.81 0.00 0.00 57.70 52.59 1jsm n MET 59 Cb 0.33 -2.29 -0.05 0.00 -0.71 0.00 0.00 33.22 30.51 1jsm n MET 59 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1jsm n ASN 60 N -0.86 0.69 -0.58 7.83 6.94 -1.17 -4.51 115.26 123.60 1jsm n ASN 60 Ca 0.61 -0.85 0.05 0.00 -0.02 0.00 0.00 54.58 54.37 1jsm n ASN 60 Cb 0.62 0.89 0.15 0.00 -2.36 0.00 0.00 39.78 39.07 1jsm n ASN 60 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1jsm n THR 61 N -1.05 1.20 -0.77 5.53 -2.24 -1.26 -5.04 114.28 110.65 1jsm n THR 61 Ca 0.03 -1.15 -0.33 0.00 -2.27 0.00 0.00 64.05 60.32 1jsm n THR 61 Cb 0.19 0.38 0.13 0.00 -2.10 0.00 0.00 70.33 68.93 1jsm n THR 61 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jsm n GLN 62 N 0.19 -0.86 -1.49 -0.78 6.02 -1.26 -4.92 117.38 114.28 1jsm n GLN 62 Ca 0.12 -0.23 -0.33 0.00 -0.01 0.00 0.00 57.00 56.55 1jsm n GLN 62 Cb 0.47 -1.65 0.08 0.00 1.02 0.00 0.00 30.24 30.16 1jsm n GLN 62 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1jsm s PHE 63 N -2.26 2.41 -0.16 1.08 5.36 -1.26 -5.05 117.98 118.10 1jsm s PHE 63 Ca 0.53 1.58 -0.03 0.00 -0.96 0.00 0.00 56.93 58.05 1jsm s PHE 63 Cb -0.14 -3.22 0.05 0.00 -0.34 0.00 0.00 43.02 39.38 1jsm s PHE 63 CO 0.68 -1.99 0.05 -1.21 -1.46 0.00 0.00 175.22 171.29 1jsm s GLU 64 N -4.28 0.38 0.62 10.12 2.02 -1.26 -5.02 118.70 121.28 1jsm s GLU 64 Ca 0.67 -0.19 -0.18 0.00 0.02 0.00 0.00 54.97 55.29 1jsm s GLU 64 Cb -0.22 -1.79 -0.02 0.00 0.10 0.00 0.00 34.13 32.21 1jsm s GLU 64 CO 0.47 -0.60 1.26 0.00 0.02 0.00 0.00 175.26 176.41 1jsm s ALA 65 N 2.00 2.45 -0.05 5.21 0.00 -1.26 -5.05 121.76 125.06 1jsm s ALA 65 Ca 0.01 1.12 0.02 0.00 0.00 0.00 0.00 51.96 53.12 1jsm s ALA 65 Cb -0.16 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.47 1jsm s ALA 65 CO -0.08 -1.40 -0.10 0.08 0.00 0.00 0.00 175.76 174.27 1jsm s VAL 66 N -1.48 0.92 0.12 0.00 1.01 -1.26 -5.13 120.40 114.57 1jsm s VAL 66 Ca 0.80 -0.36 -0.31 0.00 0.00 0.00 0.00 61.98 62.12 1jsm s VAL 66 Cb -0.34 -0.86 -0.07 0.00 0.00 0.00 0.00 36.38 35.10 1jsm s VAL 66 CO 0.37 0.30 1.31 -0.83 0.00 0.00 0.00 175.10 176.25 1jsm s GLY 67 N 0.69 2.23 0.03 4.51 0.00 -1.26 -5.03 107.32 108.48 1jsm s GLY 67 Ca -0.13 1.03 -0.04 0.00 0.00 0.00 0.00 44.72 45.58 1jsm s GLY 67 CO 0.02 2.18 0.06 0.54 0.00 0.00 0.00 173.10 175.90 1jsm s LYS 68 N 0.78 0.53 0.18 2.90 1.02 -1.26 -5.17 119.74 118.72 1jsm s LYS 68 Ca 0.61 -0.74 0.10 0.00 0.02 0.00 0.00 55.97 55.95 1jsm s LYS 68 Cb -0.34 0.20 -0.04 0.00 -0.52 0.00 0.00 37.83 37.12 1jsm s LYS 68 CO 0.32 -0.12 -0.21 -1.21 -0.92 0.00 0.00 175.35 173.21 1jsm s GLU 69 N -2.41 1.40 0.02 1.68 2.02 -1.26 -5.15 118.70 115.00 1jsm s GLU 69 Ca -0.07 -1.48 0.02 0.00 0.02 0.00 0.00 54.97 53.46 1jsm s GLU 69 Cb -0.02 -1.57 -0.02 0.00 0.10 0.00 0.00 34.13 32.62 1jsm s GLU 69 CO -0.04 0.33 -0.06 -0.06 0.02 0.00 0.00 175.26 175.44 1jsm s PHE 70 N -1.91 0.55 0.83 1.61 0.08 -1.26 -5.09 117.98 112.79 1jsm s PHE 70 Ca 0.19 -0.35 -0.08 0.00 0.12 0.00 0.00 56.93 56.81 1jsm s PHE 70 Cb -0.07 -0.34 0.18 0.00 -0.57 0.00 0.00 43.02 42.22 1jsm s PHE 70 CO 0.08 -0.06 1.14 0.27 -0.10 0.00 0.00 175.22 176.55 1jsm n ASN 71 N 2.02 0.77 0.24 1.36 0.23 -1.26 -4.92 115.26 113.70 1jsm n ASN 71 Ca -0.19 -1.83 0.16 0.00 -0.53 0.00 0.00 54.58 52.20 1jsm n ASN 71 Cb 0.56 -0.81 0.83 0.00 -2.08 0.00 0.00 39.78 38.29 1jsm n ASN 71 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1jsm h ASN 72 N -1.11 0.00 -0.35 0.53 -1.07 -2.03 -1.68 115.58 109.86 1jsm h ASN 72 Ca -0.37 0.00 -0.10 0.00 0.07 0.00 0.00 56.30 55.90 1jsm h ASN 72 Cb 1.19 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 37.38 1jsm h ASN 72 CO 0.33 0.00 0.02 0.18 0.07 0.00 0.00 177.43 178.03 1jsm n LEU 73 N -2.67 4.24 -1.48 6.14 4.77 -1.26 -4.45 117.00 122.29 1jsm n LEU 73 Ca -0.01 -3.32 -0.01 0.00 -0.03 0.00 0.00 56.01 52.64 1jsm n LEU 73 Cb 0.10 -0.60 0.09 0.00 -2.33 0.00 0.00 43.42 40.68 1jsm n LEU 73 CO 0.17 0.90 0.18 -0.62 -1.33 0.00 0.00 177.39 176.69 1jsm n GLU 74 N -0.73 1.53 0.15 3.23 1.02 -0.63 -4.86 120.64 120.36 1jsm n GLU 74 Ca 0.28 -3.12 0.01 0.00 -0.02 0.00 0.00 57.16 54.31 1jsm n GLU 74 Cb 1.01 -1.27 0.32 0.00 -0.02 0.00 0.00 31.44 31.48 1jsm n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jsm h ARG 75 N 1.47 0.10 -0.11 3.49 2.47 -1.78 -0.93 114.38 119.09 1jsm h ARG 75 Ca -0.02 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.63 1jsm h ARG 75 Cb 1.41 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.72 1jsm h ARG 75 CO 0.20 0.44 -0.06 0.00 0.56 0.00 0.00 179.97 181.12 1jsm h ARG 76 N 0.09 0.24 0.00 0.04 3.08 -1.96 -1.65 114.38 114.23 1jsm h ARG 76 Ca 0.01 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 59.84 1jsm h ARG 76 Cb 0.67 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 1jsm h ARG 76 CO 0.05 0.59 -0.56 -0.84 -1.07 0.00 0.00 179.97 178.15 1jsm h ILE 77 N -0.11 1.34 -0.68 2.04 3.07 -1.93 -0.18 117.51 121.05 1jsm h ILE 77 Ca 0.02 -1.94 -0.07 0.00 1.55 0.00 0.00 64.86 64.43 1jsm h ILE 77 Cb 0.52 2.06 -0.03 0.00 -0.27 0.00 0.00 36.82 39.11 1jsm h ILE 77 CO 0.02 0.54 0.16 -0.08 -1.05 0.00 0.00 178.15 177.74 1jsm h GLU 78 N 0.00 1.08 -0.22 0.16 4.81 -1.09 0.03 114.58 119.34 1jsm h GLU 78 Ca -0.01 -0.25 -0.16 0.00 -0.13 0.00 0.00 59.36 58.81 1jsm h GLU 78 Cb 1.02 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 1jsm h GLU 78 CO 0.07 0.95 -0.53 -0.97 -0.73 0.00 0.00 179.01 177.81 1jsm h ASN 79 N 1.02 0.71 -0.04 1.04 -1.24 -0.87 -0.79 115.58 115.42 1jsm h ASN 79 Ca 0.21 -0.37 0.01 0.00 0.71 0.00 0.00 56.30 56.86 1jsm h ASN 79 Cb 0.36 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.20 1jsm h ASN 79 CO 0.00 1.10 -0.02 0.25 -1.29 0.00 0.00 177.43 177.48 1jsm h LEU 80 N 0.50 -0.06 -0.27 0.34 6.46 -0.59 0.14 115.31 121.82 1jsm h LEU 80 Ca 0.02 0.01 0.06 0.00 -0.12 0.00 0.00 57.88 57.85 1jsm h LEU 80 Cb 1.08 0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 40.99 1jsm h LEU 80 CO 0.10 -0.03 -0.08 -1.13 -0.62 0.00 0.00 178.44 176.69 1jsm h ASN 81 N -0.02 -0.28 -0.16 1.25 -1.24 -0.89 -0.31 115.58 113.93 1jsm h ASN 81 Ca 0.02 0.08 -0.00 0.00 0.71 0.00 0.00 56.30 57.11 1jsm h ASN 81 Cb 0.05 0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 1jsm h ASN 81 CO -0.05 -0.10 0.09 0.50 -1.29 0.00 0.00 177.43 176.59 1jsm h LYS 82 N -0.01 0.22 -0.61 6.67 3.64 -0.74 -1.08 116.57 124.66 1jsm h LYS 82 Ca 0.13 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1jsm h LYS 82 Cb 0.21 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1jsm h LYS 82 CO -0.29 0.20 0.33 0.87 -2.27 0.00 0.00 179.45 178.29 1jsm h LYS 83 N 0.17 0.85 -0.22 1.90 6.56 -0.55 -1.33 116.57 123.95 1jsm h LYS 83 Ca 0.06 -0.09 -0.06 0.00 -1.06 0.00 0.00 60.65 59.50 1jsm h LYS 83 Cb 0.05 -0.17 -0.01 0.00 -0.57 0.00 0.00 32.23 31.53 1jsm h LYS 83 CO -0.01 0.63 -0.09 1.98 -2.06 0.00 0.00 179.45 179.90 1jsm h MET 84 N 0.85 0.45 -0.15 3.15 1.85 -0.57 0.38 114.93 120.89 1jsm h MET 84 Ca 0.22 -0.19 -0.02 0.00 -0.61 0.00 0.00 59.70 59.10 1jsm h MET 84 Cb 0.04 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.05 1jsm h MET 84 CO -0.03 0.72 0.01 0.93 -0.40 0.00 0.00 176.91 178.14 1jsm h GLU 85 N 0.16 0.26 -0.77 0.39 5.08 -1.02 -1.64 114.58 117.04 1jsm h GLU 85 Ca 0.05 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1jsm h GLU 85 Cb 0.58 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 1jsm h GLU 85 CO 0.03 0.46 0.50 -0.44 -1.00 0.00 0.00 179.01 178.56 1jsm h ASP 86 N 0.02 0.85 -0.25 1.42 3.32 -1.32 -1.30 116.42 119.15 1jsm h ASP 86 Ca 0.04 -0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.14 1jsm h ASP 86 Cb 0.33 -0.20 -0.07 0.00 0.22 0.00 0.00 39.33 39.61 1jsm h ASP 86 CO 0.00 0.60 -0.27 1.23 -1.72 0.00 0.00 179.24 179.08 1jsm h GLY 87 N 1.00 -0.22 1.23 2.75 0.00 -0.59 0.70 103.07 107.93 1jsm h GLY 87 Ca 0.30 0.33 -0.10 0.00 0.00 0.00 0.00 47.33 47.86 1jsm h GLY 87 CO -0.09 -0.21 -0.08 0.74 0.00 0.00 0.00 176.54 176.90 1jsm h PHE 88 N -0.27 1.00 -0.66 5.60 -1.00 -1.03 -1.78 116.94 118.80 1jsm h PHE 88 Ca 0.14 -0.19 0.04 0.00 2.81 0.00 0.00 57.97 60.77 1jsm h PHE 88 Cb 0.49 -0.26 -0.05 0.00 3.61 0.00 0.00 35.95 39.75 1jsm h PHE 88 CO -0.42 0.94 0.40 -0.07 -1.61 0.00 0.00 178.31 177.55 1jsm h LEU 89 N 0.82 0.63 -0.94 1.54 3.38 -0.68 -0.23 115.31 119.83 1jsm h LEU 89 Ca 0.14 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 1jsm h LEU 89 Cb 0.60 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1jsm h LEU 89 CO 0.04 0.43 -0.27 0.44 0.09 0.00 0.00 178.44 179.17 1jsm h ASP 90 N 0.76 0.47 -0.08 -0.43 3.32 -0.62 -0.70 116.42 119.14 1jsm h ASP 90 Ca 0.27 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1jsm h ASP 90 Cb 0.07 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 1jsm h ASP 90 CO -0.13 0.73 -0.02 0.58 -1.72 0.00 0.00 179.24 178.68 1jsm h VAL 91 N 0.41 1.29 -0.06 -1.35 2.07 -0.52 -1.49 116.25 116.60 1jsm h VAL 91 Ca 0.06 -0.93 -0.11 0.00 0.82 0.00 0.00 66.70 66.54 1jsm h VAL 91 Cb 0.68 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1jsm h VAL 91 CO 0.05 0.26 -0.46 -0.50 0.02 0.00 0.00 177.57 176.94 1jsm h TRP 92 N -0.17 0.16 -0.36 1.57 4.06 -1.00 0.45 115.95 120.67 1jsm h TRP 92 Ca 0.02 -0.05 -0.04 0.00 2.06 0.00 0.00 58.89 60.88 1jsm h TRP 92 Cb 0.42 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.53 1jsm h TRP 92 CO 0.05 0.57 0.05 1.15 -3.56 0.00 0.00 178.44 176.70 1jsm h THR 93 N 0.11 1.24 -0.32 1.49 2.02 -1.12 -0.76 112.91 115.57 1jsm h THR 93 Ca 0.01 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.32 1jsm h THR 93 Cb 0.85 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 1jsm h THR 93 CO 0.07 0.29 0.19 0.22 0.37 0.00 0.00 175.52 176.65 1jsm h TYR 94 N 0.43 0.43 -0.58 3.16 3.20 -0.88 0.12 116.97 122.85 1jsm h TYR 94 Ca 0.11 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.01 1jsm h TYR 94 Cb 0.37 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 1jsm h TYR 94 CO 0.03 0.33 0.34 -0.91 -1.64 0.00 0.00 178.16 176.31 1jsm h ASN 95 N 0.41 0.55 0.04 -2.11 2.35 -0.70 -0.26 115.58 115.86 1jsm h ASN 95 Ca 0.11 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1jsm h ASN 95 Cb 0.03 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1jsm h ASN 95 CO -0.02 0.38 -0.02 0.00 -1.65 0.00 0.00 177.43 176.12 1jsm h ALA 96 N 1.27 -0.06 -0.45 -0.83 0.00 -0.87 -0.53 119.26 117.78 1jsm h ALA 96 Ca 0.24 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1jsm h ALA 96 Cb 0.06 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1jsm h ALA 96 CO -0.12 -0.40 0.22 0.93 0.00 0.00 0.00 179.25 179.88 1jsm h GLU 97 N -0.32 0.65 -0.34 0.00 5.08 -0.81 -2.41 114.58 116.43 1jsm h GLU 97 Ca -0.01 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 1jsm h GLU 97 Cb 0.29 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1jsm h GLU 97 CO 0.01 0.55 0.05 1.25 -1.00 0.00 0.00 179.01 179.87 1jsm h LEU 98 N 0.59 0.55 -0.89 1.33 5.85 -1.04 -0.73 115.31 120.97 1jsm h LEU 98 Ca 0.16 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.67 1jsm h LEU 98 Cb 0.11 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 1jsm h LEU 98 CO -0.02 0.68 0.57 0.25 -0.34 0.00 0.00 178.44 179.57 1jsm h LEU 99 N 0.41 0.91 -0.32 2.25 5.85 -1.06 0.05 115.31 123.40 1jsm h LEU 99 Ca 0.10 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 1jsm h LEU 99 Cb 0.36 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1jsm h LEU 99 CO 0.01 0.60 -0.16 0.58 -0.34 0.00 0.00 178.44 179.12 1jsm h VAL 100 N 1.05 1.29 -0.32 1.05 2.07 -1.14 -0.83 116.25 119.42 1jsm h VAL 100 Ca 0.38 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 1jsm h VAL 100 Cb 0.12 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1jsm h VAL 100 CO -0.16 0.41 0.20 0.25 0.02 0.00 0.00 177.57 178.29 1jsm h LEU 101 N 0.44 0.38 -0.36 2.57 5.85 -0.57 -0.27 115.31 123.36 1jsm h LEU 101 Ca 0.07 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1jsm h LEU 101 Cb 0.69 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1jsm h LEU 101 CO 0.05 0.31 -0.02 0.24 -0.34 0.00 0.00 178.44 178.68 1jsm h MET 102 N 0.42 0.64 -0.00 1.25 2.86 -0.93 -2.51 114.93 116.66 1jsm h MET 102 Ca 0.12 -0.22 -0.11 0.00 -2.06 0.00 0.00 59.70 57.43 1jsm h MET 102 Cb -0.01 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 1jsm h MET 102 CO -0.02 0.77 -0.55 0.93 1.06 0.00 0.00 176.91 179.10 1jsm h GLU 103 N 0.45 0.00 -0.65 1.72 4.39 -1.10 -2.15 114.58 117.24 1jsm h GLU 103 Ca 0.10 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 1jsm h GLU 103 Cb 0.49 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 1jsm h GLU 103 CO 0.02 0.55 0.27 -0.91 -1.16 0.00 0.00 179.01 177.79 1jsm h ASN 104 N 0.00 0.89 -0.44 1.42 2.35 -0.89 0.39 115.58 119.29 1jsm h ASN 104 Ca -0.01 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1jsm h ASN 104 Cb 0.97 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.09 1jsm h ASN 104 CO 0.07 0.80 0.27 -0.08 -1.65 0.00 0.00 177.43 176.85 1jsm h GLU 105 N 0.91 0.60 -0.48 0.81 4.81 -1.12 -1.92 114.58 118.19 1jsm h GLU 105 Ca 0.22 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.32 1jsm h GLU 105 Cb 0.18 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1jsm h GLU 105 CO -0.02 0.43 -0.01 0.00 -0.73 0.00 0.00 179.01 178.68 1jsm h ARG 106 N 0.59 0.80 -0.72 1.92 3.08 -0.82 -2.11 114.38 117.12 1jsm h ARG 106 Ca 0.16 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1jsm h ARG 106 Cb -0.02 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 1jsm h ARG 106 CO -0.03 0.81 0.40 1.15 -1.07 0.00 0.00 179.97 181.23 1jsm h THR 107 N 0.74 1.22 -0.55 2.04 2.02 0.14 0.17 112.91 118.69 1jsm h THR 107 Ca 0.14 -0.54 -0.05 0.00 0.77 0.00 0.00 66.41 66.73 1jsm h THR 107 Cb 0.47 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1jsm h THR 107 CO 0.02 0.24 0.15 -0.07 0.37 0.00 0.00 175.52 176.23 1jsm h LEU 108 N 0.99 0.82 -0.87 2.58 3.38 -1.06 -2.18 115.31 118.97 1jsm h LEU 108 Ca 0.25 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1jsm h LEU 108 Cb 0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1jsm h LEU 108 CO -0.04 0.83 -0.54 0.44 0.09 0.00 0.00 178.44 179.22 1jsm h ASP 109 N 0.77 0.07 -0.24 -0.43 3.32 -1.12 -2.34 116.42 116.46 1jsm h ASP 109 Ca 0.17 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1jsm h ASP 109 Cb 0.32 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1jsm h ASP 109 CO -0.00 0.60 0.11 0.15 -1.72 0.00 0.00 179.24 178.38 1jsm h PHE 110 N 0.05 0.35 -0.79 4.55 3.57 -0.30 -0.00 116.94 124.37 1jsm h PHE 110 Ca -0.00 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 1jsm h PHE 110 Cb 0.97 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.57 1jsm h PHE 110 CO 0.00 0.34 0.33 0.45 -2.23 0.00 0.00 178.31 177.20 1jsm h HIS 111 N 0.25 1.20 -0.48 0.41 3.86 -1.27 -1.73 115.15 117.39 1jsm h HIS 111 Ca 0.08 -0.08 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 1jsm h HIS 111 Cb 0.13 -0.36 -0.04 0.00 1.06 0.00 0.00 27.41 28.20 1jsm h HIS 111 CO -0.02 0.90 0.26 0.22 0.86 0.00 0.00 177.93 180.15 1jsm h ASP 112 N 1.15 0.40 -0.38 2.45 3.58 -0.93 -2.02 116.42 120.68 1jsm h ASP 112 Ca 0.27 0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.65 1jsm h ASP 112 Cb 0.20 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 1jsm h ASP 112 CO -0.02 0.28 -0.05 -1.28 -2.88 0.00 0.00 179.24 175.29 1jsm h SER 113 N 0.52 0.77 -0.64 2.28 0.87 -0.77 -1.80 113.55 114.78 1jsm h SER 113 Ca 0.20 -0.20 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 1jsm h SER 113 Cb 0.07 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 1jsm h SER 113 CO -0.12 0.86 0.05 0.78 -0.53 0.00 0.00 176.83 177.87 1jsm h ASN 114 N 0.73 1.07 -0.21 6.23 2.35 -0.84 0.15 115.58 125.06 1jsm h ASN 114 Ca 0.13 -0.29 -0.04 0.00 -0.55 0.00 0.00 56.30 55.56 1jsm h ASN 114 Cb 0.51 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1jsm h ASN 114 CO 0.03 1.09 -0.01 0.58 -1.65 0.00 0.00 177.43 177.46 1jsm h VAL 115 N 1.01 1.26 -0.72 2.81 2.07 -1.22 -0.92 116.25 120.55 1jsm h VAL 115 Ca 0.19 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1jsm h VAL 115 Cb 0.51 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1jsm h VAL 115 CO 0.02 0.28 0.44 0.50 0.02 0.00 0.00 177.57 178.84 1jsm h LYS 116 N 0.13 0.98 0.00 1.57 3.11 -1.18 -0.26 116.57 120.92 1jsm h LYS 116 Ca 0.06 -0.09 -0.12 0.00 -2.81 0.00 0.00 60.65 57.69 1jsm h LYS 116 Cb 0.43 -0.21 -0.02 0.00 -1.00 0.00 0.00 32.23 31.43 1jsm h LYS 116 CO 0.01 0.69 -0.58 -0.91 -2.81 0.00 0.00 179.45 175.85 1jsm h ASN 117 N 0.99 0.00 -0.22 4.20 2.35 -0.55 -0.35 115.58 122.00 1jsm h ASN 117 Ca 0.26 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.93 1jsm h ASN 117 Cb -0.04 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 1jsm h ASN 117 CO -0.05 0.58 -0.16 0.25 -1.65 0.00 0.00 177.43 176.40 1jsm h LEU 118 N 0.00 0.52 0.01 1.61 5.85 -0.76 -0.99 115.31 121.54 1jsm h LEU 118 Ca -0.01 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.27 1jsm h LEU 118 Cb 1.04 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1jsm h LEU 118 CO 0.08 0.86 -0.04 0.22 -0.34 0.00 0.00 178.44 179.21 1jsm h TYR 119 N 0.18 -0.11 -0.55 1.25 3.20 -0.85 -1.77 116.97 118.33 1jsm h TYR 119 Ca 0.04 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1jsm h TYR 119 Cb 0.69 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.98 1jsm h TYR 119 CO 0.07 -0.07 0.28 -0.44 -1.64 0.00 0.00 178.16 176.36 1jsm h ASP 120 N -0.08 0.68 -0.62 -2.11 3.32 -1.05 0.65 116.42 117.20 1jsm h ASP 120 Ca 0.02 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1jsm h ASP 120 Cb 0.10 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 1jsm h ASP 120 CO -0.04 0.56 0.34 0.50 -1.72 0.00 0.00 179.24 178.89 1jsm h LYS 121 N 0.76 0.86 -0.01 3.56 3.64 -0.66 -1.31 116.57 123.41 1jsm h LYS 121 Ca 0.19 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1jsm h LYS 121 Cb 0.05 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1jsm h LYS 121 CO -0.03 0.65 0.00 0.28 -2.27 0.00 0.00 179.45 178.08 1jsm h VAL 122 N 0.84 1.23 -0.73 2.00 2.07 -0.60 -2.57 116.25 118.49 1jsm h VAL 122 Ca 0.22 -0.68 0.16 0.00 0.82 0.00 0.00 66.70 67.22 1jsm h VAL 122 Cb 0.03 1.66 -0.11 0.00 -1.52 0.00 0.00 31.29 31.35 1jsm h VAL 122 CO -0.04 0.18 0.17 -0.09 0.02 0.00 0.00 177.57 177.81 1jsm h ARG 123 N -0.26 0.25 -0.87 1.57 2.43 -0.63 0.18 114.38 117.06 1jsm h ARG 123 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1jsm h ARG 123 Cb 0.29 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 1jsm h ARG 123 CO 0.00 0.17 0.54 -0.07 -1.51 0.00 0.00 179.97 179.10 1jsm h LEU 124 N 0.26 1.02 0.35 3.80 4.07 -1.11 -3.11 115.31 120.59 1jsm h LEU 124 Ca 0.41 -0.05 -0.02 0.00 0.08 0.00 0.00 57.88 58.31 1jsm h LEU 124 Cb 0.70 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.19 1jsm h LEU 124 CO -0.51 0.76 -0.17 1.56 -1.08 0.00 0.00 178.44 179.00 1jsm h GLN 125 N 1.19 -0.45 -2.66 1.13 4.20 -0.29 -3.03 115.11 115.20 1jsm h GLN 125 Ca 0.31 0.03 -0.05 0.00 0.06 0.00 0.00 58.65 59.00 1jsm h GLN 125 Cb -0.09 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1jsm h GLN 125 CO -0.06 -0.30 0.22 1.28 -0.67 0.00 0.00 178.83 179.29 1jsm n LEU 126 N -3.30 1.60 0.00 1.46 4.77 -0.51 -4.71 117.00 116.30 1jsm n LEU 126 Ca -0.06 -1.28 0.00 0.00 -0.03 0.00 0.00 56.01 54.64 1jsm n LEU 126 Cb 0.18 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1jsm n LEU 126 CO 0.14 0.18 0.00 0.54 -1.33 0.00 0.00 177.39 176.92 1jsm n ARG 127 N 2.79 0.00 0.00 3.23 3.00 -1.15 -3.73 116.66 120.81 1jsm n ARG 127 Ca 0.12 0.00 0.08 0.00 -0.01 0.00 0.00 57.85 58.04 1jsm n ARG 127 Cb 0.27 -0.29 0.06 0.00 0.00 0.00 0.00 32.46 32.51 1jsm n ARG 127 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1jsm n ASP 128 N 0.00 2.31 0.00 0.55 8.00 -1.26 -4.50 116.55 121.65 1jsm n ASP 128 Ca 0.00 -1.65 0.14 0.00 0.71 0.00 0.00 54.79 53.98 1jsm n ASP 128 Cb 0.00 0.03 0.68 0.00 -0.02 0.00 0.00 41.12 41.81 1jsm n ASP 128 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1jsm n ASN 129 N 0.85 0.00 -3.98 -2.24 3.02 -1.24 -4.87 115.26 106.80 1jsm n ASN 129 Ca 0.09 0.05 -0.08 0.00 -0.03 0.00 0.00 54.58 54.61 1jsm n ASN 129 Cb 0.40 -0.35 -0.09 0.00 -0.61 0.00 0.00 39.78 39.13 1jsm n ASN 129 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jsm s ALA 130 N -2.69 0.12 -0.24 5.41 0.00 -1.24 -3.05 121.76 120.07 1jsm s ALA 130 Ca 0.23 -0.80 -0.09 0.00 0.00 0.00 0.00 51.96 51.30 1jsm s ALA 130 Cb 0.19 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 1jsm s ALA 130 CO 0.45 -0.36 0.13 0.21 0.00 0.00 0.00 175.76 176.20 1jsm s LYS 131 N -3.20 3.95 -0.59 0.00 2.47 0.94 -4.89 119.74 118.41 1jsm s LYS 131 Ca 0.00 -0.34 -0.28 0.00 -1.56 0.00 0.00 55.97 53.80 1jsm s LYS 131 Cb 0.02 -3.46 0.03 0.00 -1.46 0.00 0.00 37.83 32.96 1jsm s LYS 131 CO -0.07 0.00 1.26 -2.00 0.16 0.00 0.00 175.35 174.70 1jsm s GLU 132 N 1.18 3.42 0.03 4.03 2.12 -1.26 -0.74 118.70 127.48 1jsm s GLU 132 Ca 0.06 0.25 0.20 0.00 0.36 0.00 0.00 54.97 55.85 1jsm s GLU 132 Cb -0.14 -4.06 0.83 0.00 0.26 0.00 0.00 34.13 31.02 1jsm s GLU 132 CO 0.05 -1.80 1.63 1.28 -0.54 0.00 0.00 175.26 175.88 1jsm n LEU 133 N 8.85 0.10 -1.08 2.70 4.32 -0.82 -4.90 117.00 126.16 1jsm n LEU 133 Ca 0.09 0.52 -0.10 0.00 -0.02 0.00 0.00 56.01 56.50 1jsm n LEU 133 Cb 0.49 -0.50 -0.01 0.00 -1.62 0.00 0.00 43.42 41.78 1jsm n LEU 133 CO 0.71 -0.21 -0.12 0.61 -1.22 0.00 0.00 177.39 177.16 1jsm n GLY 134 N 0.47 0.22 0.09 -0.72 0.00 -1.26 -4.86 105.19 99.13 1jsm n GLY 134 Ca 0.04 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1jsm n GLY 134 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jsm n ASN 135 N 0.11 0.40 0.00 1.61 6.94 -1.26 -4.92 115.26 118.14 1jsm n ASN 135 Ca -0.12 -1.42 0.00 0.00 -0.02 0.00 0.00 54.58 53.03 1jsm n ASN 135 Cb 0.54 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.90 1jsm n ASN 135 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jsm n GLY 136 N -0.14 0.62 3.59 4.83 0.00 -1.26 -4.54 105.19 108.29 1jsm n GLY 136 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 1jsm n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jsm s PHE 138 N -1.80 1.88 -0.29 0.00 0.40 -1.26 -1.95 117.98 114.95 1jsm s PHE 138 Ca 0.26 -0.71 -0.06 0.00 -0.60 0.00 0.00 56.93 55.82 1jsm s PHE 138 Cb -0.08 -1.31 0.01 0.00 0.51 0.00 0.00 43.02 42.15 1jsm s PHE 138 CO 0.16 -0.31 0.06 -2.00 0.70 0.00 0.00 175.22 173.83 1jsm s GLU 139 N 0.47 3.05 0.69 0.44 2.12 0.08 -4.87 118.70 120.69 1jsm s GLU 139 Ca -0.15 -0.88 -0.15 0.00 0.36 0.00 0.00 54.97 54.15 1jsm s GLU 139 Cb -0.16 -3.31 0.02 0.00 0.26 0.00 0.00 34.13 30.94 1jsm s GLU 139 CO 0.05 -0.44 1.17 -0.06 -0.54 0.00 0.00 175.26 175.45 1jsm s PHE 140 N 1.47 2.29 -0.09 5.30 0.40 -1.26 -0.04 117.98 126.04 1jsm s PHE 140 Ca 0.02 1.58 -0.00 0.00 -0.60 0.00 0.00 56.93 57.93 1jsm s PHE 140 Cb -0.17 -3.36 -0.00 0.00 0.51 0.00 0.00 43.02 40.00 1jsm s PHE 140 CO 0.01 -2.23 0.01 1.88 0.70 0.00 0.00 175.22 175.59 1jsm h TYR 141 N -0.09 -0.00 -3.50 0.36 0.99 -1.91 -3.44 116.97 109.37 1jsm h TYR 141 Ca -0.47 -0.00 -0.61 0.00 2.00 0.00 0.00 58.73 59.65 1jsm h TYR 141 Cb 1.28 0.00 -0.13 0.00 1.00 0.00 0.00 36.73 38.88 1jsm h TYR 141 CO 0.50 -0.00 -0.40 -1.01 -0.00 0.00 0.00 178.16 177.25 1jsm s HIS 142 N -1.54 3.35 0.23 4.88 3.76 -1.26 -5.03 115.29 119.68 1jsm s HIS 142 Ca -0.00 0.38 -0.07 0.00 -0.15 0.00 0.00 55.06 55.22 1jsm s HIS 142 Cb 0.00 -2.34 -0.06 0.00 1.11 0.00 0.00 32.58 31.29 1jsm s HIS 142 CO 0.00 0.08 -0.09 0.36 -0.85 0.00 0.00 174.74 174.24 1jsm n LYS 143 N 4.21 0.00 -3.76 1.40 0.00 -1.26 -5.01 118.16 113.75 1jsm n LYS 143 Ca -0.13 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.05 1jsm n LYS 143 Cb 0.52 -0.41 -0.14 0.00 -0.00 0.00 0.00 35.03 34.99 1jsm n LYS 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1jsm s ASP 145 N 1.07 4.82 0.36 0.00 -4.77 -1.26 -4.58 116.67 112.31 1jsm s ASP 145 Ca -0.08 -1.08 0.17 0.00 -3.30 0.00 0.00 52.55 48.25 1jsm s ASP 145 Cb -0.11 0.34 1.12 0.00 -1.09 0.00 0.00 42.92 43.18 1jsm s ASP 145 CO -0.05 -1.18 1.69 0.78 0.70 0.00 0.00 175.17 177.11 1jsm h ASN 146 N 0.55 0.48 -0.33 2.11 -0.26 -1.98 1.06 115.58 117.22 1jsm h ASN 146 Ca -0.34 0.15 -0.16 0.00 -0.56 0.00 0.00 56.30 55.39 1jsm h ASN 146 Cb 1.30 0.10 -0.00 0.00 -1.06 0.00 0.00 38.32 38.65 1jsm h ASN 146 CO 0.51 -0.06 -0.41 1.05 -1.06 0.00 0.00 177.43 177.46 1jsm h GLU 147 N 0.34 0.86 -0.37 0.81 4.11 -1.98 -0.63 114.58 117.73 1jsm h GLU 147 Ca 0.71 -0.48 -0.07 0.00 0.07 0.00 0.00 59.36 59.58 1jsm h GLU 147 Cb 1.72 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.99 1jsm h GLU 147 CO -0.50 1.12 -0.06 0.00 0.07 0.00 0.00 179.01 179.65 1jsm h MET 149 N 0.49 -0.46 -0.25 0.00 4.05 0.86 -1.45 114.93 118.16 1jsm h MET 149 Ca 0.10 0.03 0.07 0.00 -0.28 0.00 0.00 59.70 59.62 1jsm h MET 149 Cb 0.55 0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.44 1jsm h MET 149 CO 0.03 -0.30 0.33 0.93 0.23 0.00 0.00 176.91 178.13 1jsm h GLU 150 N -0.48 0.00 -0.47 0.39 3.07 -1.04 -0.62 114.58 115.43 1jsm h GLU 150 Ca -0.05 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.69 1jsm h GLU 150 Cb 0.37 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 1jsm h GLU 150 CO 0.08 0.00 -0.19 0.77 -1.40 0.00 0.00 179.01 178.27 1jsm h SER 151 N 0.00 0.99 0.38 1.42 0.02 -0.60 0.24 113.55 116.00 1jsm h SER 151 Ca 0.12 -0.39 -0.02 0.00 -0.84 0.00 0.00 61.79 60.66 1jsm h SER 151 Cb 0.78 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1jsm h SER 151 CO -0.00 1.15 -0.18 0.58 -1.14 0.00 0.00 176.83 177.24 1jsm h VAL 152 N 0.81 0.60 -0.68 2.27 2.07 -0.99 0.26 116.25 120.59 1jsm h VAL 152 Ca 0.11 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.22 1jsm h VAL 152 Cb 0.76 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 1jsm h VAL 152 CO 0.06 0.08 0.45 0.11 0.02 0.00 0.00 177.57 178.29 1jsm h LYS 153 N -0.77 0.83 0.00 1.57 1.57 -1.54 0.28 116.57 118.52 1jsm h LYS 153 Ca -0.05 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1jsm h LYS 153 Cb 0.52 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1jsm h LYS 153 CO 0.09 0.55 0.00 -0.97 -0.57 0.00 0.00 179.45 178.55 1jsm h ASN 154 N 0.85 0.00 0.00 0.86 -0.73 -0.35 -3.44 115.58 112.77 1jsm h ASN 154 Ca 0.26 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.43 1jsm h ASN 154 Cb -0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1jsm h ASN 154 CO -0.07 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.60 1jsm n GLY 155 N -1.02 0.35 0.13 1.57 0.00 1.00 -4.75 105.19 102.47 1jsm n GLY 155 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.06 1jsm n GLY 155 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jsm h THR 156 N 0.00 0.44 -1.36 2.61 2.02 -1.66 -3.47 112.91 111.48 1jsm h THR 156 Ca 0.00 -1.71 -0.77 0.00 0.77 0.00 0.00 66.41 64.70 1jsm h THR 156 Cb 0.05 2.05 0.03 0.00 -1.74 0.00 0.00 68.15 68.53 1jsm h THR 156 CO 0.00 0.25 0.64 0.00 0.37 0.00 0.00 175.52 176.78 1jsm n TYR 157 N -2.99 1.68 0.00 3.16 9.36 0.87 -4.92 117.16 124.32 1jsm n TYR 157 Ca -0.02 0.78 0.00 0.00 3.32 0.00 0.00 57.90 61.98 1jsm n TYR 157 Cb 0.70 -2.33 0.00 0.00 -0.63 0.00 0.00 39.34 37.08 1jsm n TYR 157 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1jsm n ASP 158 N 3.92 0.00 0.21 2.98 10.43 -1.26 -4.97 116.55 127.86 1jsm n ASP 158 Ca 0.25 0.00 0.18 0.00 2.57 0.00 0.00 54.79 57.79 1jsm n ASP 158 Cb 0.09 0.00 0.80 0.00 1.84 0.00 0.00 41.12 43.85 1jsm n ASP 158 CO 0.00 0.00 0.00 1.88 -1.07 0.00 0.00 177.20 178.01 1jsm h TYR 159 N 0.00 0.00 0.00 1.24 0.99 -1.96 -3.54 116.97 113.70 1jsm h TYR 159 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1jsm h TYR 159 Cb 0.00 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.73 1jsm h TYR 159 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 178.16 177.81