#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jsg s MET 2 N 0.00 0.02 -0.09 0.54 0.23 -0.46 -2.04 119.30 117.50 3jsg s MET 2 Ca 0.00 0.04 0.03 0.00 -1.03 0.00 0.00 55.69 54.73 3jsg s MET 2 Cb 0.00 -0.00 0.01 0.00 -1.53 0.00 0.00 34.83 33.30 3jsg s MET 2 CO 0.00 -0.01 -0.20 0.12 -2.03 0.00 0.00 175.02 172.90 3jsg s PHE 3 N 0.08 2.22 -0.08 3.16 5.36 -0.07 -1.41 117.98 127.24 3jsg s PHE 3 Ca -0.01 -0.91 0.05 0.00 -0.96 0.00 0.00 56.93 55.10 3jsg s PHE 3 Cb -0.01 -1.52 -0.01 0.00 -0.34 0.00 0.00 43.02 41.15 3jsg s PHE 3 CO -0.00 -0.39 -0.24 0.42 -1.46 0.00 0.00 175.22 173.54 3jsg s ILE 4 N 0.49 2.03 -0.14 3.12 1.01 -0.44 -1.10 121.20 126.17 3jsg s ILE 4 Ca -0.16 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.47 3jsg s ILE 4 Cb -0.17 -1.73 0.02 0.00 0.01 0.00 0.00 42.46 40.58 3jsg s ILE 4 CO 0.06 0.56 -0.17 -0.69 0.00 0.00 0.00 174.94 174.71 3jsg s VAL 5 N 0.07 1.70 -0.14 2.92 1.01 0.02 -1.31 120.40 124.67 3jsg s VAL 5 Ca -0.10 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 3jsg s VAL 5 Cb -0.16 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 3jsg s VAL 5 CO 0.06 0.48 -0.05 0.20 0.00 0.00 0.00 175.10 175.79 3jsg s ASN 6 N 1.19 4.66 0.05 3.32 0.01 -0.28 -0.18 114.94 123.71 3jsg s ASN 6 Ca -0.01 -0.15 -0.12 0.00 -0.71 0.00 0.00 52.86 51.87 3jsg s ASN 6 Cb -0.14 -1.71 0.01 0.00 0.41 0.00 0.00 41.25 39.83 3jsg s ASN 6 CO -0.07 0.19 0.27 0.28 -1.51 0.00 0.00 177.10 176.26 3jsg s THR 7 N 0.25 0.09 -2.27 1.60 -1.32 -0.18 -1.03 115.64 112.79 3jsg s THR 7 Ca -0.04 -0.78 0.28 0.00 -1.21 0.00 0.00 61.69 59.94 3jsg s THR 7 Cb -0.14 -0.97 0.47 0.00 -1.51 0.00 0.00 72.50 70.35 3jsg s THR 7 CO 0.03 -0.43 1.70 -0.46 -2.21 0.00 0.00 174.62 173.25 3jsg n ASN 8 N 0.53 1.33 -4.77 8.08 6.94 -1.23 -1.10 115.26 125.04 3jsg n ASN 8 Ca -0.18 -1.30 -0.41 0.00 -0.02 0.00 0.00 54.58 52.66 3jsg n ASN 8 Cb 0.60 0.04 -0.01 0.00 -2.36 0.00 0.00 39.78 38.04 3jsg n ASN 8 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3jsg s VAL 9 N -2.15 2.26 0.56 3.53 1.01 -1.26 -4.24 120.40 120.09 3jsg s VAL 9 Ca 0.34 0.25 -0.21 0.00 0.00 0.00 0.00 61.98 62.36 3jsg s VAL 9 Cb 0.20 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 3jsg s VAL 9 CO 0.39 0.06 1.27 -2.84 0.00 0.00 0.00 175.10 173.97 3jsg s PRO 10 N -1.76 3.13 0.32 2.72 0.02 -1.26 -1.05 135.00 137.13 3jsg s PRO 10 Ca 0.53 2.00 0.05 0.00 0.02 0.00 0.00 61.00 63.60 3jsg s PRO 10 Cb -0.45 -2.13 0.68 0.00 0.02 0.00 0.00 34.50 32.63 3jsg s PRO 10 CO 0.58 -1.13 1.87 -0.09 -0.33 0.00 0.00 177.00 177.91 3jsg h ARG 11 N 1.27 0.82 0.00 5.54 2.43 -1.92 -0.49 114.38 122.03 3jsg h ARG 11 Ca -0.50 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 3jsg h ARG 11 Cb 1.29 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3jsg h ARG 11 CO 0.57 0.54 0.00 0.00 -1.51 0.00 0.00 179.97 179.57 3jsg h ALA 12 N 1.57 1.00 -0.00 2.80 0.00 -2.03 -1.40 119.26 121.20 3jsg h ALA 12 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3jsg h ALA 12 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3jsg h ALA 12 CO -0.20 0.00 -0.27 0.43 0.00 0.00 0.00 179.25 179.21 3jsg n SER 13 N -3.08 0.67 -4.64 0.00 7.64 -0.19 -4.77 113.62 109.25 3jsg n SER 13 Ca -0.02 -0.54 -0.43 0.00 1.01 0.00 0.00 58.87 58.90 3jsg n SER 13 Cb 0.16 0.07 -0.03 0.00 -1.01 0.00 0.00 64.21 63.40 3jsg n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3jsg s VAL 14 N -2.66 4.60 0.44 0.44 1.01 -0.53 -4.78 120.40 118.93 3jsg s VAL 14 Ca 0.21 1.69 -0.22 0.00 0.00 0.00 0.00 61.98 63.67 3jsg s VAL 14 Cb 0.19 -4.34 -0.09 0.00 0.00 0.00 0.00 36.38 32.14 3jsg s VAL 14 CO 0.56 -0.37 1.02 -2.16 0.00 0.00 0.00 175.10 174.14 3jsg s PRO 15 N 3.42 4.02 0.18 2.72 0.04 -1.26 -4.98 135.00 139.15 3jsg s PRO 15 Ca 0.43 1.35 -0.33 0.00 0.04 0.00 0.00 61.00 62.48 3jsg s PRO 15 Cb -0.13 -2.26 -0.15 0.00 0.04 0.00 0.00 34.50 32.00 3jsg s PRO 15 CO 0.13 -0.24 1.34 -0.25 0.04 0.00 0.00 177.00 178.02 3jsg n ASP 16 N -0.59 2.15 0.00 6.66 10.43 -1.26 -2.08 116.55 131.87 3jsg n ASP 16 Ca 0.07 1.13 0.00 0.00 2.57 0.00 0.00 54.79 58.56 3jsg n ASP 16 Cb 0.52 -1.32 0.00 0.00 1.84 0.00 0.00 41.12 42.16 3jsg n ASP 16 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3jsg n GLY 17 N 2.36 0.47 0.05 0.44 0.00 -1.26 -4.98 105.19 102.27 3jsg n GLY 17 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 3jsg n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3jsg h PHE 18 N 0.00 0.04 -0.42 1.61 3.57 -1.80 0.46 116.94 120.40 3jsg h PHE 18 Ca 0.00 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 3jsg h PHE 18 Cb 0.00 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 3jsg h PHE 18 CO 0.00 0.15 0.11 -0.07 -2.23 0.00 0.00 178.31 176.26 3jsg h LEU 19 N -0.08 0.58 -0.38 0.59 4.07 -1.94 -1.13 115.31 117.02 3jsg h LEU 19 Ca 0.01 -0.08 -0.18 0.00 0.08 0.00 0.00 57.88 57.70 3jsg h LEU 19 Cb 0.12 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.71 3jsg h LEU 19 CO -0.00 0.58 -0.65 0.28 -1.08 0.00 0.00 178.44 177.57 3jsg h SER 20 N 0.61 0.70 -0.41 -0.43 0.02 -1.89 -1.37 113.55 110.79 3jsg h SER 20 Ca 0.14 -0.41 -0.08 0.00 -0.84 0.00 0.00 61.79 60.60 3jsg h SER 20 Cb 0.23 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3jsg h SER 20 CO -0.00 1.17 -0.06 -0.08 -1.14 0.00 0.00 176.83 176.71 3jsg h GLU 21 N 0.45 0.77 -0.62 3.45 4.81 -0.59 -0.97 114.58 121.88 3jsg h GLU 21 Ca -0.01 -0.28 0.02 0.00 -0.13 0.00 0.00 59.36 58.96 3jsg h GLU 21 Cb 1.22 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 3jsg h GLU 21 CO 0.12 0.88 0.39 -0.07 -0.73 0.00 0.00 179.01 179.60 3jsg h LEU 22 N 0.59 0.64 -0.07 1.64 3.38 -1.15 0.03 115.31 120.37 3jsg h LEU 22 Ca 0.11 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3jsg h LEU 22 Cb 0.58 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3jsg h LEU 22 CO 0.03 0.45 0.04 0.74 0.09 0.00 0.00 178.44 179.80 3jsg h THR 23 N 0.77 1.05 -0.38 0.22 2.02 -1.02 -0.34 112.91 115.23 3jsg h THR 23 Ca 0.24 -0.14 -0.06 0.00 0.77 0.00 0.00 66.41 67.22 3jsg h THR 23 Cb -0.01 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 3jsg h THR 23 CO -0.09 0.05 -0.00 -0.61 0.37 0.00 0.00 175.52 175.23 3jsg h GLN 24 N 0.05 0.67 -0.14 6.66 -0.00 -0.97 -1.20 115.11 120.18 3jsg h GLN 24 Ca 0.02 -0.21 -0.13 0.00 -0.00 0.00 0.00 58.65 58.33 3jsg h GLN 24 Cb 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.45 3jsg h GLN 24 CO -0.00 0.77 -0.49 1.96 0.00 0.00 0.00 178.83 181.07 3jsg h GLN 25 N 0.49 0.37 -0.15 1.69 1.08 -0.93 -1.61 115.11 116.05 3jsg h GLN 25 Ca 0.11 -0.21 -0.14 0.00 -1.45 0.00 0.00 58.65 56.96 3jsg h GLN 25 Cb 0.47 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 3jsg h GLN 25 CO 0.02 0.78 -0.51 -0.07 -0.95 0.00 0.00 178.83 178.10 3jsg h LEU 26 N 0.29 0.43 -0.20 1.46 3.38 -0.95 -0.76 115.31 118.97 3jsg h LEU 26 Ca 0.01 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3jsg h LEU 26 Cb 0.97 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3jsg h LEU 26 CO 0.08 0.87 0.13 0.00 0.09 0.00 0.00 178.44 179.61 3jsg h ALA 27 N 1.15 0.25 -0.56 1.53 0.00 -0.94 -0.15 119.26 120.54 3jsg h ALA 27 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3jsg h ALA 27 Cb 1.00 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3jsg h ALA 27 CO 0.09 -0.27 0.31 0.37 0.00 0.00 0.00 179.25 179.75 3jsg h GLN 28 N 0.26 0.78 0.01 0.00 5.75 -1.12 -0.80 115.11 119.99 3jsg h GLN 28 Ca 0.07 -0.09 -0.25 0.00 -0.15 0.00 0.00 58.65 58.23 3jsg h GLN 28 Cb -0.02 -0.15 0.01 0.00 1.07 0.00 0.00 27.48 28.39 3jsg h GLN 28 CO -0.02 0.60 -1.01 0.00 -2.65 0.00 0.00 178.83 175.75 3jsg h ALA 29 N 1.14 0.23 0.00 3.38 0.00 -0.95 -3.26 119.26 119.80 3jsg h ALA 29 Ca 0.20 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3jsg h ALA 29 Cb 0.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3jsg h ALA 29 CO -0.03 0.75 -0.87 0.25 0.00 0.00 0.00 179.25 179.35 3jsg n THR 30 N -3.79 0.27 -0.96 0.00 -2.24 -0.08 -4.95 114.28 102.52 3jsg n THR 30 Ca -0.09 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3jsg n THR 30 Cb 0.87 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 3jsg n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jsg n GLY 31 N 1.34 0.92 3.85 3.38 0.00 -0.31 -4.99 105.19 109.38 3jsg n GLY 31 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3jsg n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jsg s LYS 32 N -0.08 4.02 0.41 1.61 -0.14 -1.22 -5.02 119.74 119.33 3jsg s LYS 32 Ca 0.00 0.76 -0.26 0.00 -1.36 0.00 0.00 55.97 55.11 3jsg s LYS 32 Cb 0.00 -2.36 -0.08 0.00 -1.68 0.00 0.00 37.83 33.71 3jsg s LYS 32 CO 0.00 0.07 1.30 -1.25 -0.76 0.00 0.00 175.35 174.72 3jsg s PRO 33 N -3.19 3.92 0.62 -1.68 0.04 -1.26 -4.56 135.00 128.89 3jsg s PRO 33 Ca 0.56 2.16 0.36 0.00 0.04 0.00 0.00 61.00 64.11 3jsg s PRO 33 Cb -0.10 -2.72 2.06 0.00 0.04 0.00 0.00 34.50 33.78 3jsg s PRO 33 CO 0.19 -0.54 2.29 -1.00 0.04 0.00 0.00 177.00 177.98 3jsg h PRO 34 N 2.59 0.00 0.00 0.56 0.13 -1.92 -0.34 132.00 133.02 3jsg h PRO 34 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3jsg h PRO 34 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3jsg h PRO 34 CO 0.62 0.00 0.00 -0.56 -0.23 0.00 0.00 178.00 177.83 3jsg h GLN 35 N 0.00 0.00 0.00 0.86 -0.00 -1.98 -2.22 115.11 111.77 3jsg h GLN 35 Ca 0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.53 3jsg h GLN 35 Cb 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.51 3jsg h GLN 35 CO -0.00 0.00 -0.64 1.88 -0.00 0.00 0.00 178.83 180.07 3jsg h TYR 36 N 0.00 0.00 -3.32 0.06 0.99 -1.41 -3.47 116.97 109.82 3jsg h TYR 36 Ca 0.00 0.00 -0.56 0.00 2.00 0.00 0.00 58.73 60.17 3jsg h TYR 36 Cb 0.37 0.00 -0.04 0.00 1.00 0.00 0.00 36.73 38.06 3jsg h TYR 36 CO 0.00 0.58 0.42 0.42 -0.00 0.00 0.00 178.16 179.58 3jsg s ILE 37 N -2.92 4.86 -0.10 -2.88 -1.09 -0.84 -4.34 121.20 113.89 3jsg s ILE 37 Ca 0.03 1.86 -0.01 0.00 -2.23 0.00 0.00 60.65 60.30 3jsg s ILE 37 Cb 0.08 -4.23 -0.03 0.00 -1.58 0.00 0.00 42.46 36.70 3jsg s ILE 37 CO 0.76 0.08 -0.05 0.00 -1.23 0.00 0.00 174.94 174.50 3jsg s ALA 38 N 1.68 3.02 0.03 9.38 0.00 -0.87 -5.03 121.76 129.97 3jsg s ALA 38 Ca 0.45 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.60 3jsg s ALA 38 Cb -0.18 -1.38 -0.02 0.00 0.00 0.00 0.00 23.12 21.54 3jsg s ALA 38 CO 0.19 0.44 -0.14 0.08 0.00 0.00 0.00 175.76 176.33 3jsg s VAL 39 N -0.36 1.08 -0.11 0.00 1.01 -1.26 -0.90 120.40 119.86 3jsg s VAL 39 Ca 0.06 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.11 3jsg s VAL 39 Cb -0.12 -0.96 0.06 0.00 0.00 0.00 0.00 36.38 35.35 3jsg s VAL 39 CO 0.02 0.07 0.22 -2.28 0.00 0.00 0.00 175.10 173.13 3jsg s HIS 40 N -0.72 -0.32 -0.12 5.22 5.04 -0.26 -4.97 115.29 119.16 3jsg s HIS 40 Ca 0.02 0.82 0.03 0.00 -1.54 0.00 0.00 55.06 54.39 3jsg s HIS 40 Cb -0.07 -0.13 0.01 0.00 0.04 0.00 0.00 32.58 32.42 3jsg s HIS 40 CO 0.01 -0.32 -0.22 0.08 -2.34 0.00 0.00 174.74 171.94 3jsg s VAL 41 N 2.37 2.00 -0.36 0.89 1.01 -1.26 -0.80 120.40 124.26 3jsg s VAL 41 Ca 0.02 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.05 3jsg s VAL 41 Cb -0.12 -1.75 0.11 0.00 0.00 0.00 0.00 36.38 34.61 3jsg s VAL 41 CO -0.07 0.54 0.12 -0.69 0.00 0.00 0.00 175.10 174.99 3jsg s VAL 42 N 0.60 1.56 0.86 2.92 1.01 0.75 -4.98 120.40 123.11 3jsg s VAL 42 Ca -0.13 -2.04 -0.11 0.00 0.00 0.00 0.00 61.98 59.70 3jsg s VAL 42 Cb -0.17 -2.14 0.16 0.00 0.00 0.00 0.00 36.38 34.23 3jsg s VAL 42 CO 0.03 -0.69 1.20 -2.16 0.00 0.00 0.00 175.10 173.48 3jsg s PRO 43 N 1.04 1.15 -1.66 2.72 0.04 -1.26 -1.01 135.00 136.02 3jsg s PRO 43 Ca 0.12 -0.55 0.00 0.00 0.04 0.00 0.00 61.00 60.61 3jsg s PRO 43 Cb -0.20 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.33 3jsg s PRO 43 CO -0.14 -2.00 0.00 -0.25 0.04 0.00 0.00 177.00 174.66 3jsg n ASP 44 N -3.41 -5.28 -4.83 6.66 8.00 -0.21 -4.82 116.55 112.67 3jsg n ASP 44 Ca 0.14 0.10 -0.33 0.00 0.71 0.00 0.00 54.79 55.41 3jsg n ASP 44 Cb 0.60 -4.36 -0.07 0.00 -0.02 0.00 0.00 41.12 37.28 3jsg n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3jsg s GLN 45 N -4.57 4.19 -0.65 -1.24 -1.52 -0.26 -4.94 119.66 110.68 3jsg s GLN 45 Ca 0.00 1.01 -0.24 0.00 -1.95 0.00 0.00 55.36 54.18 3jsg s GLN 45 Cb 0.00 -2.29 0.06 0.00 -0.22 0.00 0.00 33.01 30.55 3jsg s GLN 45 CO 0.00 0.04 1.02 -1.17 -0.25 0.00 0.00 175.29 174.93 3jsg s LEU 46 N -3.04 4.09 0.03 2.90 2.96 -1.26 -4.09 118.68 120.26 3jsg s LEU 46 Ca 0.59 -0.72 -0.01 0.00 -0.22 0.00 0.00 54.13 53.77 3jsg s LEU 46 Cb -0.10 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.01 3jsg s LEU 46 CO 0.15 -1.46 -0.02 -0.04 -1.32 0.00 0.00 176.35 173.66 3jsg s MET 47 N 4.35 0.45 0.04 1.98 -1.94 -1.26 -5.07 119.30 117.85 3jsg s MET 47 Ca 0.27 -0.87 0.02 0.00 -1.71 0.00 0.00 55.69 53.40 3jsg s MET 47 Cb -0.14 0.16 -0.02 0.00 2.01 0.00 0.00 34.83 36.83 3jsg s MET 47 CO 0.13 -0.08 -0.07 0.00 -0.01 0.00 0.00 175.02 174.99 3jsg s ALA 48 N -2.54 0.54 -0.10 3.03 0.00 -1.26 -4.58 121.76 116.85 3jsg s ALA 48 Ca -0.06 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 3jsg s ALA 48 Cb -0.02 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.20 3jsg s ALA 48 CO -0.05 -0.06 -0.01 0.12 0.00 0.00 0.00 175.76 175.77 3jsg s PHE 49 N -1.57 0.91 -1.62 0.00 2.19 -0.11 -4.73 117.98 113.06 3jsg s PHE 49 Ca -0.09 -0.42 0.00 0.00 0.33 0.00 0.00 56.93 56.75 3jsg s PHE 49 Cb -0.09 -0.93 0.00 0.00 -1.31 0.00 0.00 43.02 40.69 3jsg s PHE 49 CO -0.00 -0.42 0.00 0.41 1.83 0.00 0.00 175.22 177.04 3jsg n GLY 50 N 5.09 0.46 2.00 13.12 0.00 -1.26 -2.19 105.19 122.40 3jsg n GLY 50 Ca -0.08 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3jsg n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jsg n GLY 51 N -0.95 1.17 3.59 -0.02 0.00 -1.26 -5.03 105.19 102.70 3jsg n GLY 51 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 3jsg n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3jsg s SER 52 N -3.10 4.56 -0.17 1.61 0.15 -0.93 -5.03 113.70 110.79 3jsg s SER 52 Ca 0.00 -0.23 0.16 0.00 0.70 0.00 0.00 55.95 56.58 3jsg s SER 52 Cb 0.00 -1.00 0.70 0.00 -1.71 0.00 0.00 66.02 64.01 3jsg s SER 52 CO 0.00 0.24 1.62 -1.54 1.20 0.00 0.00 173.24 174.76 3jsg n SER 53 N 1.20 4.90 -4.60 5.45 3.41 -1.26 -0.93 113.62 121.79 3jsg n SER 53 Ca -0.14 -2.76 -0.31 0.00 -0.26 0.00 0.00 58.87 55.40 3jsg n SER 53 Cb 0.52 -0.60 0.17 0.00 -0.26 0.00 0.00 64.21 64.05 3jsg n SER 53 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3jsg n GLU 54 N 0.52 -0.72 -1.61 4.33 -0.58 -1.26 -4.85 120.64 116.47 3jsg n GLU 54 Ca 0.25 -0.15 -0.47 0.00 -0.42 0.00 0.00 57.16 56.37 3jsg n GLU 54 Cb 1.00 -2.27 -0.03 0.00 -0.57 0.00 0.00 31.44 29.57 3jsg n GLU 54 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3jsg n PRO 55 N -3.95 1.46 -3.94 3.49 -0.02 -1.26 -4.84 135.00 125.93 3jsg n PRO 55 Ca 0.10 0.52 -0.08 0.00 -2.02 0.00 0.00 63.50 62.01 3jsg n PRO 55 Cb 0.53 -2.04 -0.04 0.00 -0.02 0.00 0.00 33.50 31.93 3jsg n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3jsg s ALA 57 N -3.89 -0.80 -0.15 0.00 0.00 -0.59 -3.55 121.76 112.78 3jsg s ALA 57 Ca 0.18 0.80 0.02 0.00 0.00 0.00 0.00 51.96 52.96 3jsg s ALA 57 Cb -0.03 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.69 3jsg s ALA 57 CO 0.09 -0.18 -0.21 -0.51 0.00 0.00 0.00 175.76 174.95 3jsg s LEU 58 N -0.13 2.13 0.20 0.00 1.43 -0.20 -1.86 118.68 120.25 3jsg s LEU 58 Ca -0.03 -0.61 0.05 0.00 -1.03 0.00 0.00 54.13 52.52 3jsg s LEU 58 Cb -0.03 -1.46 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 3jsg s LEU 58 CO 0.01 0.06 -0.08 0.00 0.23 0.00 0.00 176.35 176.58 3jsg s SER 60 N -3.27 0.33 -0.14 0.00 1.04 -0.43 -0.63 113.70 110.60 3jsg s SER 60 Ca 0.23 -0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.46 3jsg s SER 60 Cb 0.03 0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.18 3jsg s SER 60 CO 0.05 -0.07 -0.15 -0.22 0.98 0.00 0.00 173.24 173.84 3jsg s LEU 61 N -0.54 1.71 -0.10 2.42 2.96 0.12 -1.33 118.68 123.91 3jsg s LEU 61 Ca -0.04 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.36 3jsg s LEU 61 Cb -0.04 -1.18 -0.03 0.00 0.50 0.00 0.00 46.19 45.44 3jsg s LEU 61 CO -0.00 -0.04 0.02 -1.00 -1.32 0.00 0.00 176.35 174.00 3jsg s HIS 62 N 1.38 3.20 -0.03 5.38 3.76 -0.50 -0.91 115.29 127.57 3jsg s HIS 62 Ca 0.03 0.19 -0.18 0.00 -0.15 0.00 0.00 55.06 54.94 3jsg s HIS 62 Cb -0.13 -1.83 0.03 0.00 1.11 0.00 0.00 32.58 31.76 3jsg s HIS 62 CO -0.09 0.44 0.39 0.45 -0.85 0.00 0.00 174.74 175.09 3jsg s SER 63 N -0.74 -0.30 -0.75 1.40 0.15 -0.63 -1.35 113.70 111.47 3jsg s SER 63 Ca 0.12 0.27 -0.22 0.00 0.70 0.00 0.00 55.95 56.82 3jsg s SER 63 Cb -0.12 0.40 0.08 0.00 -1.71 0.00 0.00 66.02 64.67 3jsg s SER 63 CO 0.02 -0.45 1.07 -0.63 1.20 0.00 0.00 173.24 174.45 3jsg s ILE 64 N -1.17 4.29 0.03 6.45 1.01 -1.26 -0.60 121.20 129.95 3jsg s ILE 64 Ca -0.12 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.00 3jsg s ILE 64 Cb -0.04 -4.76 0.00 0.00 0.01 0.00 0.00 42.46 37.67 3jsg s ILE 64 CO 0.05 -1.56 0.00 0.61 0.00 0.00 0.00 174.94 174.04 3jsg n GLY 65 N 5.49 -2.01 2.47 6.18 0.00 -1.26 -4.94 105.19 111.13 3jsg n GLY 65 Ca 0.05 -1.39 -0.20 0.00 0.00 0.00 0.00 46.02 44.48 3jsg n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jsg n LYS 66 N -0.88 -1.51 -4.92 1.61 4.76 -1.26 -4.91 118.16 111.05 3jsg n LYS 66 Ca 0.00 1.08 -0.32 0.00 -2.87 0.00 0.00 58.31 56.20 3jsg n LYS 66 Cb 0.05 -5.57 -0.16 0.00 -1.84 0.00 0.00 35.03 27.51 3jsg n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3jsg s ILE 67 N -2.88 2.26 -0.97 -0.18 -1.09 -1.26 -4.82 121.20 112.26 3jsg s ILE 67 Ca 0.00 -0.93 0.00 0.00 -2.23 0.00 0.00 60.65 57.49 3jsg s ILE 67 Cb 0.00 -1.90 0.00 0.00 -1.58 0.00 0.00 42.46 38.98 3jsg s ILE 67 CO 0.00 0.55 0.00 0.61 -1.23 0.00 0.00 174.94 174.87 3jsg n GLY 68 N 3.75 -1.41 0.00 6.18 0.00 -1.26 -4.98 105.19 107.46 3jsg n GLY 68 Ca -0.19 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.79 3jsg n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jsg n GLY 69 N -0.16 -2.87 0.24 -0.02 0.00 -1.26 -0.20 105.19 100.91 3jsg n GLY 69 Ca 0.00 0.35 -0.08 0.00 0.00 0.00 0.00 46.02 46.29 3jsg n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jsg h ALA 70 N -1.44 0.83 -0.50 4.61 0.00 -2.00 -2.68 119.26 118.08 3jsg h ALA 70 Ca 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3jsg h ALA 70 Cb 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3jsg h ALA 70 CO 0.00 0.64 0.27 1.96 0.00 0.00 0.00 179.25 182.12 3jsg h GLN 71 N 0.55 0.71 -0.28 0.00 4.20 -1.90 -1.66 115.11 116.72 3jsg h GLN 71 Ca 0.06 -0.09 -0.08 0.00 0.06 0.00 0.00 58.65 58.59 3jsg h GLN 71 Cb 0.87 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 3jsg h GLN 71 CO 0.08 0.56 -0.17 -0.91 -0.67 0.00 0.00 178.83 177.72 3jsg h ASN 72 N 0.67 0.49 -0.58 1.46 2.35 -0.49 0.05 115.58 119.53 3jsg h ASN 72 Ca 0.18 -0.14 -0.08 0.00 -0.55 0.00 0.00 56.30 55.71 3jsg h ASN 72 Cb 0.07 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3jsg h ASN 72 CO -0.03 0.68 0.07 0.03 -1.65 0.00 0.00 177.43 176.54 3jsg h ARG 73 N 0.46 1.00 -0.41 0.81 3.08 -1.15 -0.57 114.38 117.60 3jsg h ARG 73 Ca 0.08 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 59.81 3jsg h ARG 73 Cb 0.56 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 3jsg h ARG 73 CO 0.04 0.94 0.05 1.03 -1.07 0.00 0.00 179.97 180.95 3jsg h SER 74 N 0.94 0.66 -1.01 7.04 0.87 -0.71 -1.85 113.55 119.49 3jsg h SER 74 Ca 0.18 -0.27 0.02 0.00 -1.23 0.00 0.00 61.79 60.49 3jsg h SER 74 Cb 0.44 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 62.17 3jsg h SER 74 CO 0.01 0.77 0.67 1.88 -0.53 0.00 0.00 176.83 179.63 3jsg h TYR 75 N 0.53 1.26 -0.54 2.24 0.05 -0.80 -1.72 116.97 117.99 3jsg h TYR 75 Ca 0.12 0.03 -0.10 0.00 0.05 0.00 0.00 58.73 58.83 3jsg h TYR 75 Cb 0.40 -0.42 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 3jsg h TYR 75 CO 0.03 0.77 -0.06 0.77 -1.05 0.00 0.00 178.16 178.62 3jsg h SER 76 N 1.34 0.95 -0.35 3.88 0.02 -0.82 0.15 113.55 118.71 3jsg h SER 76 Ca 0.38 -0.28 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 3jsg h SER 76 Cb -0.11 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.16 3jsg h SER 76 CO -0.09 1.04 0.04 0.50 -1.14 0.00 0.00 176.83 177.17 3jsg h LYS 77 N 0.87 0.60 0.25 3.45 3.64 -1.01 -0.03 116.57 124.34 3jsg h LYS 77 Ca 0.15 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3jsg h LYS 77 Cb 0.59 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3jsg h LYS 77 CO 0.04 0.68 -0.12 1.25 -2.27 0.00 0.00 179.45 179.03 3jsg h LEU 78 N 0.43 -0.29 -0.13 5.20 5.85 -1.06 -1.28 115.31 124.02 3jsg h LEU 78 Ca 0.11 -0.02 -0.22 0.00 0.84 0.00 0.00 57.88 58.59 3jsg h LEU 78 Cb 0.38 0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.50 3jsg h LEU 78 CO 0.01 -0.17 -0.76 -0.07 -0.34 0.00 0.00 178.44 177.10 3jsg h LEU 79 N -0.38 0.91 -1.06 2.25 3.38 -0.66 -1.72 115.31 118.02 3jsg h LEU 79 Ca -0.03 -0.64 -0.02 0.00 0.09 0.00 0.00 57.88 57.27 3jsg h LEU 79 Cb 0.29 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3jsg h LEU 79 CO 0.06 1.40 0.38 0.00 0.09 0.00 0.00 178.44 180.37 3jsg h GLY 81 N 1.09 0.77 1.18 0.00 0.00 -0.92 -0.21 103.07 104.98 3jsg h GLY 81 Ca 0.26 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 3jsg h GLY 81 CO -0.04 0.24 -0.27 1.41 0.00 0.00 0.00 176.54 177.88 3jsg h LEU 82 N 0.69 0.96 -0.99 3.11 3.38 -0.95 -1.30 115.31 120.21 3jsg h LEU 82 Ca 0.21 -0.39 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 3jsg h LEU 82 Cb -0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 3jsg h LEU 82 CO -0.08 1.17 -0.30 -0.07 0.09 0.00 0.00 178.44 179.25 3jsg h LEU 83 N 0.79 0.37 -0.10 1.67 3.38 -0.86 0.14 115.31 120.70 3jsg h LEU 83 Ca 0.09 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 3jsg h LEU 83 Cb 0.84 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3jsg h LEU 83 CO 0.07 0.66 -0.36 0.00 0.09 0.00 0.00 178.44 178.90 3jsg h ALA 84 N 1.37 0.17 -0.26 1.53 0.00 -0.87 -1.26 119.26 119.94 3jsg h ALA 84 Ca 0.04 -0.45 -0.18 0.00 0.00 0.00 0.00 54.91 54.32 3jsg h ALA 84 Cb 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3jsg h ALA 84 CO 0.05 0.26 -0.54 1.49 0.00 0.00 0.00 179.25 180.50 3jsg h GLU 85 N -0.03 0.84 0.04 0.00 4.81 -1.14 -1.92 114.58 117.19 3jsg h GLU 85 Ca -0.02 -0.55 -0.36 0.00 -0.13 0.00 0.00 59.36 58.31 3jsg h GLU 85 Cb 1.00 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.40 3jsg h GLU 85 CO 0.08 1.18 -2.16 0.54 -0.73 0.00 0.00 179.01 177.91 3jsg n ARG 86 N -4.04 0.69 0.00 1.92 5.12 0.03 -4.48 116.66 115.90 3jsg n ARG 86 Ca -0.05 0.19 0.04 0.00 -1.93 0.00 0.00 57.85 56.10 3jsg n ARG 86 Cb 0.63 -1.63 0.03 0.00 -1.16 0.00 0.00 32.46 30.32 3jsg n ARG 86 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3jsg n LEU 87 N -3.21 1.64 -3.20 0.55 4.77 -0.56 -4.62 117.00 112.37 3jsg n LEU 87 Ca -0.34 -0.97 -0.23 0.00 -0.03 0.00 0.00 56.01 54.44 3jsg n LEU 87 Cb 1.05 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 42.19 3jsg n LEU 87 CO 0.38 0.33 0.07 0.54 -1.33 0.00 0.00 177.39 177.37 3jsg n ARG 88 N 0.39 -5.77 -3.69 3.23 1.74 -0.72 -4.95 116.66 106.88 3jsg n ARG 88 Ca 0.05 0.88 -0.35 0.00 -0.77 0.00 0.00 57.85 57.66 3jsg n ARG 88 Cb 0.21 -5.81 -0.08 0.00 -1.02 0.00 0.00 32.46 25.76 3jsg n ARG 88 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3jsg s ILE 89 N -3.22 5.39 0.23 0.55 1.01 -0.94 -4.92 121.20 119.29 3jsg s ILE 89 Ca 0.39 0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.99 3jsg s ILE 89 Cb -0.17 -3.50 -0.09 0.00 0.01 0.00 0.00 42.46 38.70 3jsg s ILE 89 CO 0.48 0.43 1.37 -0.55 0.00 0.00 0.00 174.94 176.66 3jsg s SER 90 N 0.41 6.79 0.55 3.58 0.15 -1.26 -3.40 113.70 120.52 3jsg s SER 90 Ca 0.09 2.53 0.26 0.00 0.70 0.00 0.00 55.95 59.53 3jsg s SER 90 Cb -0.11 -2.62 1.46 0.00 -1.71 0.00 0.00 66.02 63.03 3jsg s SER 90 CO -0.01 -0.60 2.02 -0.65 1.20 0.00 0.00 173.24 175.20 3jsg h PRO 91 N 5.14 0.00 -0.05 5.44 0.11 -1.97 0.49 132.00 141.16 3jsg h PRO 91 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3jsg h PRO 91 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3jsg h PRO 91 CO 0.77 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.16 3jsg n ASP 92 N -4.18 0.40 -1.10 -2.05 5.75 -1.26 -2.66 116.55 111.45 3jsg n ASP 92 Ca 0.07 -1.60 -0.04 0.00 -0.01 0.00 0.00 54.79 53.21 3jsg n ASP 92 Cb 0.51 -0.03 0.15 0.00 -1.03 0.00 0.00 41.12 40.72 3jsg n ASP 92 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3jsg n ARG 93 N -0.47 2.24 -4.84 0.11 1.74 0.16 -4.99 116.66 110.61 3jsg n ARG 93 Ca 0.12 -3.56 -0.27 0.00 -0.77 0.00 0.00 57.85 53.36 3jsg n ARG 93 Cb 0.11 -1.84 -0.17 0.00 -1.02 0.00 0.00 32.46 29.54 3jsg n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3jsg s VAL 94 N -3.67 1.48 -0.05 1.55 1.01 -1.09 -1.54 120.40 118.09 3jsg s VAL 94 Ca 0.43 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.76 3jsg s VAL 94 Cb 0.39 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 3jsg s VAL 94 CO -0.03 0.43 -0.18 -0.31 0.00 0.00 0.00 175.10 175.01 3jsg s TYR 95 N 0.41 2.59 -0.15 5.22 2.02 -0.78 -5.00 117.35 121.66 3jsg s TYR 95 Ca -0.13 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.26 3jsg s TYR 95 Cb -0.15 -1.61 0.03 0.00 -0.40 0.00 0.00 41.96 39.83 3jsg s TYR 95 CO 0.05 0.07 -0.12 0.42 -1.57 0.00 0.00 175.55 174.40 3jsg s ILE 96 N -0.58 1.44 -0.15 2.71 1.01 -1.26 -0.47 121.20 123.90 3jsg s ILE 96 Ca 0.08 -0.61 -0.21 0.00 0.00 0.00 0.00 60.65 59.92 3jsg s ILE 96 Cb -0.11 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 3jsg s ILE 96 CO 0.01 0.38 0.62 0.20 0.00 0.00 0.00 174.94 176.15 3jsg s ASN 97 N 1.53 6.77 -0.17 3.58 0.01 0.20 -4.94 114.94 121.92 3jsg s ASN 97 Ca 0.04 0.93 -0.08 0.00 -0.71 0.00 0.00 52.86 53.04 3jsg s ASN 97 Cb -0.13 -2.36 -0.04 0.00 0.41 0.00 0.00 41.25 39.13 3jsg s ASN 97 CO -0.10 -0.18 0.09 -0.31 -1.51 0.00 0.00 177.10 175.10 3jsg s TYR 98 N 1.37 3.37 -0.13 2.20 2.02 -1.26 -0.71 117.35 124.21 3jsg s TYR 98 Ca 0.31 0.26 0.00 0.00 -0.37 0.00 0.00 57.07 57.27 3jsg s TYR 98 Cb -0.16 -2.05 0.02 0.00 -0.40 0.00 0.00 41.96 39.37 3jsg s TYR 98 CO 0.12 0.34 -0.11 0.71 -1.57 0.00 0.00 175.55 175.05 3jsg s TYR 99 N -0.03 1.79 -0.55 2.71 2.02 -0.09 -4.98 117.35 118.23 3jsg s TYR 99 Ca 0.08 -0.94 -0.24 0.00 -0.37 0.00 0.00 57.07 55.61 3jsg s TYR 99 Cb -0.12 -1.38 0.04 0.00 -0.40 0.00 0.00 41.96 40.10 3jsg s TYR 99 CO 0.00 -0.57 0.91 0.34 -1.57 0.00 0.00 175.55 174.67 3jsg s ASP 100 N 1.54 6.32 0.01 2.29 2.15 -1.26 -1.61 116.67 126.12 3jsg s ASP 100 Ca 0.04 -0.42 -0.19 0.00 0.43 0.00 0.00 52.55 52.40 3jsg s ASP 100 Cb -0.13 -2.42 -0.06 0.00 -0.30 0.00 0.00 42.92 40.01 3jsg s ASP 100 CO -0.08 -1.19 0.56 -0.04 -0.17 0.00 0.00 175.17 174.24 3jsg s MET 101 N 3.81 4.25 0.24 4.34 -1.94 0.24 -4.92 119.30 125.32 3jsg s MET 101 Ca 0.29 0.67 -0.30 0.00 -1.71 0.00 0.00 55.69 54.64 3jsg s MET 101 Cb -0.13 -3.31 -0.09 0.00 2.01 0.00 0.00 34.83 33.31 3jsg s MET 101 CO 0.18 0.45 1.11 1.21 -0.01 0.00 0.00 175.02 177.97 3jsg s ASN 102 N -0.45 7.25 0.54 3.03 3.84 -1.26 -4.06 114.94 123.82 3jsg s ASN 102 Ca 0.29 2.22 0.21 0.00 0.21 0.00 0.00 52.86 55.79 3jsg s ASN 102 Cb -0.18 -2.62 1.39 0.00 -0.55 0.00 0.00 41.25 39.29 3jsg s ASN 102 CO 0.17 -0.19 2.12 0.00 -2.79 0.00 0.00 177.10 176.41 3jsg h ALA 103 N 4.28 2.06 0.00 1.71 0.00 -1.94 0.30 119.26 125.67 3jsg h ALA 103 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3jsg h ALA 103 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3jsg h ALA 103 CO 0.69 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.76 3jsg h ALA 104 N 1.92 1.00 -0.55 0.00 0.00 -1.92 -2.71 119.26 117.00 3jsg h ALA 104 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3jsg h ALA 104 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3jsg h ALA 104 CO -0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 3jsg n ASN 105 N -2.60 4.13 -4.08 0.00 5.03 0.11 -4.81 115.26 113.04 3jsg n ASN 105 Ca 0.02 -2.35 -0.32 0.00 0.87 0.00 0.00 54.58 52.80 3jsg n ASN 105 Cb 0.29 -0.48 -0.15 0.00 -1.02 0.00 0.00 39.78 38.41 3jsg n ASN 105 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3jsg s VAL 106 N -1.65 2.14 0.24 2.41 1.01 -1.08 -4.91 120.40 118.55 3jsg s VAL 106 Ca 0.44 -1.50 -0.15 0.00 0.00 0.00 0.00 61.98 60.76 3jsg s VAL 106 Cb 0.27 -2.19 -0.08 0.00 0.00 0.00 0.00 36.38 34.38 3jsg s VAL 106 CO 0.22 0.08 0.67 -0.83 0.00 0.00 0.00 175.10 175.23 3jsg s GLY 107 N 1.14 2.44 -0.28 4.51 0.00 -1.26 -2.34 107.32 111.52 3jsg s GLY 107 Ca -0.06 -0.00 -0.23 0.00 0.00 0.00 0.00 44.72 44.43 3jsg s GLY 107 CO -0.07 0.26 0.95 0.86 0.00 0.00 0.00 173.10 175.10 3jsg s TRP 108 N -1.71 -0.59 -1.30 1.90 -0.00 0.24 -4.95 118.94 112.53 3jsg s TRP 108 Ca 0.46 1.35 -0.02 0.00 -0.00 0.00 0.00 56.10 57.90 3jsg s TRP 108 Cb -0.13 0.37 -0.00 0.00 -0.00 0.00 0.00 33.47 33.70 3jsg s TRP 108 CO 0.19 -0.29 0.67 -1.71 -0.00 0.00 0.00 176.95 175.82 3jsg n ASN 109 N 2.74 -1.53 0.00 5.86 4.05 -1.26 -1.43 115.26 123.70 3jsg n ASN 109 Ca -0.14 -0.86 0.00 0.00 0.45 0.00 0.00 54.58 54.03 3jsg n ASN 109 Cb 0.56 -3.91 0.00 0.00 1.23 0.00 0.00 39.78 37.66 3jsg n ASN 109 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3jsg n ASN 110 N -3.02 -1.78 0.00 1.20 3.02 -1.26 -4.90 115.26 108.52 3jsg n ASN 110 Ca -0.28 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 3jsg n ASN 110 Cb 0.67 -1.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 3jsg n ASN 110 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3jsg n SER 111 N -0.17 0.00 -4.28 6.41 2.88 -0.51 -5.19 113.62 112.77 3jsg n SER 111 Ca 0.00 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.31 3jsg n SER 111 Cb 0.08 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.45 3jsg n SER 111 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3jsg s THR 112 N -0.87 0.83 -2.11 2.46 -4.23 -1.26 -0.59 115.64 109.87 3jsg s THR 112 Ca 0.00 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.66 3jsg s THR 112 Cb 0.00 -2.57 0.38 0.00 1.34 0.00 0.00 72.50 71.65 3jsg s THR 112 CO 0.00 0.00 1.45 0.49 -0.54 0.00 0.00 174.62 176.02 3jsg n PHE 113 N -0.75 0.18 1.98 3.99 3.72 -0.99 -4.86 117.46 120.73 3jsg n PHE 113 Ca -0.03 -0.09 0.16 0.00 -0.05 0.00 0.00 57.45 57.43 3jsg n PHE 113 Cb 0.66 0.00 0.94 0.00 -0.94 0.00 0.00 39.48 40.14 3jsg n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71