#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 0.41 -0.13 -0.52 0.23 -0.36 -1.36 119.30 117.57 3jsg s MET 2 Ca 0.00 -0.07 0.02 0.00 -1.03 0.00 0.00 55.69 54.61 3jsg s MET 2 Cb 0.00 -0.46 0.01 0.00 -1.53 0.00 0.00 34.83 32.85 3jsg s MET 2 CO 0.00 -0.01 -0.18 0.12 -2.03 0.00 0.00 175.02 172.92 3jsg s PHE 3 N 0.41 2.33 -0.09 3.16 5.36 -0.27 -0.86 117.98 128.02 3jsg s PHE 3 Ca -0.04 -1.17 0.03 0.00 -0.96 0.00 0.00 56.93 54.78 3jsg s PHE 3 Cb -0.08 -1.63 -0.01 0.00 -0.34 0.00 0.00 43.02 40.96 3jsg s PHE 3 CO -0.01 -0.57 -0.19 0.42 -1.46 0.00 0.00 175.22 173.41 3jsg s ILE 4 N 0.99 2.59 -0.16 3.12 -1.09 -0.26 -1.35 121.20 125.04 3jsg s ILE 4 Ca -0.05 -0.85 0.01 0.00 -2.23 0.00 0.00 60.65 57.53 3jsg s ILE 4 Cb -0.15 -2.02 0.02 0.00 -1.58 0.00 0.00 42.46 38.73 3jsg s ILE 4 CO -0.03 0.56 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.36 3jsg s VAL 5 N 0.02 1.85 -0.15 2.92 1.01 0.40 -1.35 120.40 125.09 3jsg s VAL 5 Ca -0.07 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 3jsg s VAL 5 Cb -0.15 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 3jsg s VAL 5 CO 0.05 0.51 -0.04 0.20 0.00 0.00 0.00 175.10 175.81 3jsg s ASN 6 N 1.29 4.76 0.04 3.32 0.01 -0.16 0.16 114.94 124.36 3jsg s ASN 6 Ca 0.03 -0.14 -0.13 0.00 -0.71 0.00 0.00 52.86 51.92 3jsg s ASN 6 Cb -0.13 -1.77 0.02 0.00 0.41 0.00 0.00 41.25 39.77 3jsg s ASN 6 CO -0.10 0.17 0.28 0.28 -1.51 0.00 0.00 177.10 176.22 3jsg s THR 7 N 0.35 0.09 -2.33 1.60 -1.32 -0.23 -0.67 115.64 113.13 3jsg s THR 7 Ca -0.05 -0.72 0.28 0.00 -1.21 0.00 0.00 61.69 59.99 3jsg s THR 7 Cb -0.14 -0.92 0.49 0.00 -1.51 0.00 0.00 72.50 70.42 3jsg s THR 7 CO 0.03 -0.40 1.71 -0.46 -2.21 0.00 0.00 174.62 173.29 3jsg n ASN 8 N 0.62 1.39 -4.77 8.08 6.94 -1.23 -1.31 115.26 124.98 3jsg n ASN 8 Ca -0.19 -1.36 -0.40 0.00 -0.02 0.00 0.00 54.58 52.61 3jsg n ASN 8 Cb 0.59 0.03 -0.00 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 -2.11 2.31 0.56 3.53 1.01 -1.26 -4.26 120.40 120.18 3jsg s VAL 9 Ca 0.35 0.30 -0.20 0.00 0.00 0.00 0.00 61.98 62.42 3jsg s VAL 9 Cb 0.21 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 3jsg s VAL 9 CO 0.38 0.06 1.26 -2.84 0.00 0.00 0.00 175.10 173.96 3jsg s PRO 10 N -2.15 3.10 0.27 2.72 0.02 -1.26 -0.90 135.00 136.80 3jsg s PRO 10 Ca 0.55 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.55 3jsg s PRO 10 Cb -0.43 -2.10 0.57 0.00 0.02 0.00 0.00 34.50 32.56 3jsg s PRO 10 CO 0.56 -1.15 1.77 -0.09 -0.33 0.00 0.00 177.00 177.77 3jsg h ARG 11 N 1.21 0.66 0.00 5.54 9.65 -1.93 -0.49 114.38 129.03 3jsg h ARG 11 Ca -0.50 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.33 3jsg h ARG 11 Cb 1.30 -0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 29.73 3jsg h ARG 11 CO 0.56 0.44 -0.00 0.00 2.80 0.00 0.00 179.97 183.77 3jsg h ALA 12 N 1.57 1.02 -0.01 2.80 0.00 -2.03 -1.36 119.26 121.25 3jsg h ALA 12 Ca 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3jsg h ALA 12 Cb 0.68 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3jsg h ALA 12 CO -0.35 0.01 -0.18 0.43 0.00 0.00 0.00 179.25 179.15 3jsg n SER 13 N -3.11 0.75 -4.61 0.00 7.64 -0.19 -4.74 113.62 109.35 3jsg n SER 13 Ca -0.02 -0.73 -0.42 0.00 1.01 0.00 0.00 58.87 58.72 3jsg n SER 13 Cb 0.16 0.03 -0.04 0.00 -1.01 0.00 0.00 64.21 63.34 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 -2.49 4.70 0.37 0.44 1.01 -0.51 -4.72 120.40 119.20 3jsg s VAL 14 Ca 0.27 1.18 -0.27 0.00 0.00 0.00 0.00 61.98 63.15 3jsg s VAL 14 Cb 0.20 -4.23 -0.10 0.00 0.00 0.00 0.00 36.38 32.25 3jsg s VAL 14 CO 0.50 -0.38 1.35 -2.84 0.00 0.00 0.00 175.10 173.72 3jsg s PRO 15 N 3.18 4.14 0.39 2.72 0.02 -1.26 -4.97 135.00 139.22 3jsg s PRO 15 Ca 0.35 2.27 -0.28 0.00 0.02 0.00 0.00 61.00 63.37 3jsg s PRO 15 Cb -0.13 -2.92 -0.11 0.00 0.02 0.00 0.00 34.50 31.36 3jsg s PRO 15 CO 0.15 -0.39 1.49 -0.25 -0.33 0.00 0.00 177.00 177.66 3jsg n ASP 16 N 0.45 3.76 0.00 2.53 8.00 -1.26 -1.82 116.55 128.21 3jsg n ASP 16 Ca 0.02 1.21 0.00 0.00 0.71 0.00 0.00 54.79 56.73 3jsg n ASP 16 Cb 0.42 -1.62 0.00 0.00 -0.02 0.00 0.00 41.12 39.90 3jsg n ASP 16 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jsg n GLY 17 N 0.46 1.16 0.25 0.44 0.00 -1.26 -4.92 105.19 101.31 3jsg n GLY 17 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 0.84 -0.75 1.61 3.57 -1.74 0.11 116.94 120.59 3jsg h PHE 18 Ca 0.00 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.39 3jsg h PHE 18 Cb 0.00 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.46 3jsg h PHE 18 CO 0.00 0.72 0.37 -0.07 -2.23 0.00 0.00 178.31 177.10 3jsg h LEU 19 N 0.72 0.97 -0.69 0.59 3.38 -1.91 0.22 115.31 118.58 3jsg h LEU 19 Ca 0.17 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 3jsg h LEU 19 Cb 0.27 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3jsg h LEU 19 CO -0.01 0.82 -0.02 0.28 0.09 0.00 0.00 178.44 179.60 3jsg h SER 20 N 1.05 0.97 -0.35 -0.43 0.02 -1.90 -1.23 113.55 111.67 3jsg h SER 20 Ca 0.26 -0.27 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 3jsg h SER 20 Cb 0.10 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 3jsg h SER 20 CO -0.04 1.03 0.01 -0.08 -1.14 0.00 0.00 176.83 176.62 3jsg h GLU 21 N 0.90 0.62 -0.85 3.45 4.81 -0.33 -1.26 114.58 121.92 3jsg h GLU 21 Ca 0.16 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3jsg h GLU 21 Cb 0.55 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 3jsg h GLU 21 CO 0.03 0.73 0.55 -0.07 -0.73 0.00 0.00 179.01 179.52 3jsg h LEU 22 N 0.44 0.98 -0.21 1.64 3.38 -0.86 -0.70 115.31 119.97 3jsg h LEU 22 Ca 0.10 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3jsg h LEU 22 Cb 0.44 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3jsg h LEU 22 CO 0.02 0.72 0.13 0.74 0.09 0.00 0.00 178.44 180.14 3jsg h THR 23 N 1.15 1.09 -0.30 0.22 2.02 -0.91 -0.27 112.91 115.90 3jsg h THR 23 Ca 0.31 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 3jsg h THR 23 Cb -0.11 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3jsg h THR 23 CO -0.06 0.08 0.06 -0.61 0.37 0.00 0.00 175.52 175.36 3jsg h GLN 24 N 0.26 0.49 -0.42 6.66 4.15 -0.98 -1.26 115.11 124.01 3jsg h GLN 24 Ca 0.08 -0.12 -0.10 0.00 0.77 0.00 0.00 58.65 59.27 3jsg h GLN 24 Cb 0.02 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 3jsg h GLN 24 CO -0.01 0.58 -0.16 1.96 -1.93 0.00 0.00 178.83 179.27 3jsg h GLN 25 N 0.32 0.78 -0.30 1.69 1.08 -1.01 -2.06 115.11 115.61 3jsg h GLN 25 Ca 0.09 -0.28 -0.15 0.00 -1.45 0.00 0.00 58.65 56.86 3jsg h GLN 25 Cb 0.32 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 3jsg h GLN 25 CO 0.00 0.89 -0.40 -0.07 -0.95 0.00 0.00 178.83 178.30 3jsg h LEU 26 N 0.70 0.77 -0.35 1.46 3.38 -0.96 -0.64 115.31 119.67 3jsg h LEU 26 Ca 0.11 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.75 3jsg h LEU 26 Cb 0.65 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3jsg h LEU 26 CO 0.05 1.08 0.20 0.00 0.09 0.00 0.00 178.44 179.85 3jsg h ALA 27 N 0.96 0.43 -0.52 1.53 0.00 -0.96 0.16 119.26 120.86 3jsg h ALA 27 Ca 0.05 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3jsg h ALA 27 Cb 0.95 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3jsg h ALA 27 CO 0.09 -0.16 0.16 0.37 0.00 0.00 0.00 179.25 179.71 3jsg h GLN 28 N 0.40 0.81 -0.28 0.00 4.15 -1.27 0.74 115.11 119.67 3jsg h GLN 28 Ca 0.14 -0.17 -0.14 0.00 0.77 0.00 0.00 58.65 59.24 3jsg h GLN 28 Cb 0.02 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 3jsg h GLN 28 CO -0.07 0.75 -0.41 0.00 -1.93 0.00 0.00 178.83 177.17 3jsg h ALA 29 N 1.03 0.77 0.00 3.38 0.00 -0.78 -3.15 119.26 120.51 3jsg h ALA 29 Ca 0.17 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3jsg h ALA 29 Cb 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3jsg h ALA 29 CO -0.01 0.66 -1.01 0.25 0.00 0.00 0.00 179.25 179.14 3jsg n THR 30 N -4.03 0.13 -1.04 0.00 -2.24 0.01 -4.95 114.28 102.17 3jsg n THR 30 Ca -0.02 -0.21 -0.01 0.00 -2.27 0.00 0.00 64.05 61.54 3jsg n THR 30 Cb 0.53 0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 69.04 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 1.39 0.44 3.90 3.38 0.00 0.23 -5.01 105.19 109.52 3jsg n GLY 31 Ca 0.02 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.04 3.60 0.43 1.61 -0.14 -1.09 -5.02 119.74 118.10 3jsg s LYS 32 Ca 0.00 -0.11 -0.25 0.00 -1.36 0.00 0.00 55.97 54.25 3jsg s LYS 32 Cb 0.00 -2.88 -0.08 0.00 -1.68 0.00 0.00 37.83 33.19 3jsg s LYS 32 CO 0.00 0.49 1.26 -1.25 -0.76 0.00 0.00 175.35 175.09 3jsg s PRO 33 N -2.57 3.84 0.61 -1.68 0.04 -1.26 -4.52 135.00 129.46 3jsg s PRO 33 Ca 0.39 2.03 0.33 0.00 0.04 0.00 0.00 61.00 63.80 3jsg s PRO 33 Cb -0.12 -2.61 1.96 0.00 0.04 0.00 0.00 34.50 33.77 3jsg s PRO 33 CO 0.24 -0.56 2.27 -1.00 0.04 0.00 0.00 177.00 177.99 3jsg h PRO 34 N 2.39 0.00 0.00 0.56 0.13 -1.91 -1.67 132.00 131.49 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 0.61 0.00 -0.00 1.96 -0.23 0.00 0.00 178.00 180.34 3jsg h GLN 35 N 0.00 0.00 -0.02 0.86 7.50 -1.98 -1.65 115.11 119.82 3jsg h GLN 35 Ca 0.01 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.16 3jsg h GLN 35 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.58 3jsg h GLN 35 CO -0.00 0.00 -0.19 0.66 -1.50 0.00 0.00 178.83 177.80 3jsg n TYR 36 N -3.16 0.00 -3.16 2.96 4.01 -0.63 -4.94 117.16 112.24 3jsg n TYR 36 Ca -0.03 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.32 3jsg n TYR 36 Cb 0.10 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.07 3jsg n TYR 36 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3jsg s ILE 37 N -2.13 5.08 -0.06 -0.72 -1.09 -0.62 -3.41 121.20 118.25 3jsg s ILE 37 Ca 0.23 1.18 0.03 0.00 -2.23 0.00 0.00 60.65 59.86 3jsg s ILE 37 Cb 0.18 -3.93 -0.02 0.00 -1.58 0.00 0.00 42.46 37.11 3jsg s ILE 37 CO 0.40 0.21 -0.15 0.00 -1.23 0.00 0.00 174.94 174.17 3jsg s ALA 38 N 1.26 2.62 0.02 9.38 0.00 -0.46 -5.03 121.76 129.55 3jsg s ALA 38 Ca 0.30 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.32 3jsg s ALA 38 Cb -0.16 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.97 3jsg s ALA 38 CO 0.12 0.51 -0.11 0.54 0.00 0.00 0.00 175.76 176.83 3jsg s VAL 39 N -0.58 0.83 -0.13 0.00 0.11 -1.26 -1.11 120.40 118.26 3jsg s VAL 39 Ca 0.08 -0.75 -0.05 0.00 -2.93 0.00 0.00 61.98 58.34 3jsg s VAL 39 Cb -0.11 -0.75 0.07 0.00 -1.53 0.00 0.00 36.38 34.05 3jsg s VAL 39 CO 0.01 0.02 0.26 -2.28 -3.33 0.00 0.00 175.10 169.78 3jsg s HIS 40 N -0.67 -0.42 -0.11 1.54 5.04 -0.46 -4.98 115.29 115.24 3jsg s HIS 40 Ca 0.00 0.94 0.03 0.00 -1.54 0.00 0.00 55.06 54.49 3jsg s HIS 40 Cb -0.06 -0.05 0.00 0.00 0.04 0.00 0.00 32.58 32.50 3jsg s HIS 40 CO 0.00 -0.36 -0.22 0.08 -2.34 0.00 0.00 174.74 171.90 3jsg s VAL 41 N 2.41 2.15 -0.34 0.89 1.01 -1.26 -0.45 120.40 124.81 3jsg s VAL 41 Ca 0.02 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.05 3jsg s VAL 41 Cb -0.12 -1.84 0.10 0.00 0.00 0.00 0.00 36.38 34.52 3jsg s VAL 41 CO -0.09 0.55 0.07 -0.69 0.00 0.00 0.00 175.10 174.95 3jsg s VAL 42 N 0.48 1.94 0.83 2.92 1.01 0.12 -4.97 120.40 122.74 3jsg s VAL 42 Ca -0.15 -2.16 -0.08 0.00 0.00 0.00 0.00 61.98 59.59 3jsg s VAL 42 Cb -0.17 -2.44 0.16 0.00 0.00 0.00 0.00 36.38 33.93 3jsg s VAL 42 CO 0.06 -0.63 1.15 -2.16 0.00 0.00 0.00 175.10 173.51 3jsg s PRO 43 N 1.02 1.20 -1.66 2.72 0.04 -1.26 -1.07 135.00 135.99 3jsg s PRO 43 Ca 0.11 -0.79 0.00 0.00 0.04 0.00 0.00 61.00 60.36 3jsg s PRO 43 Cb -0.19 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.24 3jsg s PRO 43 CO -0.12 -1.89 0.00 -0.25 0.04 0.00 0.00 177.00 174.78 3jsg n ASP 44 N -3.27 -5.54 -4.85 6.66 8.00 -0.08 -4.84 116.55 112.64 3jsg n ASP 44 Ca 0.15 -0.01 -0.32 0.00 0.71 0.00 0.00 54.79 55.32 3jsg n ASP 44 Cb 0.60 -4.58 -0.06 0.00 -0.02 0.00 0.00 41.12 37.06 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 -4.93 3.98 -0.58 -1.24 -1.52 -0.43 -4.95 119.66 109.98 3jsg s GLN 45 Ca 0.00 0.64 -0.22 0.00 -1.95 0.00 0.00 55.36 53.83 3jsg s GLN 45 Cb 0.00 -2.43 0.06 0.00 -0.22 0.00 0.00 33.01 30.42 3jsg s GLN 45 CO 0.00 0.14 0.88 -1.17 -0.25 0.00 0.00 175.29 174.88 3jsg s LEU 46 N -3.07 4.44 0.03 2.90 2.96 -1.26 -4.13 118.68 120.54 3jsg s LEU 46 Ca 0.54 -0.74 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 3jsg s LEU 46 Cb -0.10 -2.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.98 3jsg s LEU 46 CO 0.19 -1.23 -0.04 -0.04 -1.32 0.00 0.00 176.35 173.91 3jsg s MET 47 N 3.67 0.43 0.04 1.98 -1.94 -1.26 -5.08 119.30 117.15 3jsg s MET 47 Ca 0.23 -0.81 0.03 0.00 -1.71 0.00 0.00 55.69 53.44 3jsg s MET 47 Cb -0.16 0.06 -0.02 0.00 2.01 0.00 0.00 34.83 36.72 3jsg s MET 47 CO 0.14 -0.05 -0.10 0.00 -0.01 0.00 0.00 175.02 175.00 3jsg s ALA 48 N -2.12 0.81 -0.10 3.03 0.00 -1.26 -4.54 121.76 117.57 3jsg s ALA 48 Ca -0.09 -0.77 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 3jsg s ALA 48 Cb -0.05 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.06 3jsg s ALA 48 CO -0.03 0.08 0.00 0.12 0.00 0.00 0.00 175.76 175.94 3jsg s PHE 49 N -1.12 0.79 -1.88 0.00 2.19 -0.13 -4.72 117.98 113.11 3jsg s PHE 49 Ca -0.05 -0.35 0.00 0.00 0.33 0.00 0.00 56.93 56.87 3jsg s PHE 49 Cb -0.09 -0.87 0.00 0.00 -1.31 0.00 0.00 43.02 40.75 3jsg s PHE 49 CO 0.01 -0.40 0.00 0.41 1.83 0.00 0.00 175.22 177.07 3jsg n GLY 50 N 5.12 0.72 2.18 13.12 0.00 -1.26 -2.01 105.19 123.05 3jsg n GLY 50 Ca -0.08 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.79 0.89 3.60 -0.02 0.00 -1.26 -5.03 105.19 102.57 3jsg n GLY 51 Ca -0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.01 4.54 -0.23 1.61 0.15 -0.85 -5.03 113.70 110.89 3jsg s SER 52 Ca 0.00 -0.30 0.15 0.00 0.70 0.00 0.00 55.95 56.50 3jsg s SER 52 Cb 0.00 -0.95 0.70 0.00 -1.71 0.00 0.00 66.02 64.06 3jsg s SER 52 CO 0.00 0.20 1.63 -1.54 1.20 0.00 0.00 173.24 174.73 3jsg n SER 53 N 0.89 4.92 -4.62 5.45 3.41 -1.26 -0.95 113.62 121.46 3jsg n SER 53 Ca -0.13 -3.02 -0.30 0.00 -0.26 0.00 0.00 58.87 55.16 3jsg n SER 53 Cb 0.52 -0.64 0.19 0.00 -0.26 0.00 0.00 64.21 64.02 3jsg n SER 53 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3jsg s GLU 54 N -2.83 0.41 0.15 4.33 0.41 -1.26 -4.85 118.70 115.06 3jsg s GLU 54 Ca 0.50 1.31 -0.34 0.00 -0.41 0.00 0.00 54.97 56.03 3jsg s GLU 54 Cb 0.39 -1.67 -0.16 0.00 -1.78 0.00 0.00 34.13 30.91 3jsg s GLU 54 CO 0.13 -2.97 1.31 -2.30 -0.49 0.00 0.00 175.26 170.94 3jsg n PRO 55 N -4.44 1.39 -4.01 0.39 -0.02 -1.26 -4.88 135.00 122.17 3jsg n PRO 55 Ca 0.09 0.50 -0.10 0.00 -2.02 0.00 0.00 63.50 61.97 3jsg n PRO 55 Cb 0.53 -2.10 -0.05 0.00 -0.02 0.00 0.00 33.50 31.86 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 -3.76 -0.81 -0.15 0.00 0.00 -0.57 -3.52 121.76 112.94 3jsg s ALA 57 Ca 0.24 0.86 0.02 0.00 0.00 0.00 0.00 51.96 53.08 3jsg s ALA 57 Cb -0.01 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.65 3jsg s ALA 57 CO 0.11 -0.17 -0.21 -0.51 0.00 0.00 0.00 175.76 174.98 3jsg s LEU 58 N 0.01 2.12 0.20 0.00 1.43 0.15 -1.65 118.68 120.94 3jsg s LEU 58 Ca -0.02 -0.62 0.06 0.00 -1.03 0.00 0.00 54.13 52.53 3jsg s LEU 58 Cb -0.03 -1.46 -0.05 0.00 0.03 0.00 0.00 46.19 44.69 3jsg s LEU 58 CO 0.01 0.05 -0.11 0.00 0.23 0.00 0.00 176.35 176.53 3jsg s SER 60 N -3.29 0.73 -0.18 0.00 0.01 -0.46 -0.84 113.70 109.67 3jsg s SER 60 Ca 0.22 -0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.39 3jsg s SER 60 Cb 0.01 -0.20 0.02 0.00 0.21 0.00 0.00 66.02 66.06 3jsg s SER 60 CO 0.06 0.02 -0.19 -0.22 0.41 0.00 0.00 173.24 173.32 3jsg s LEU 61 N 0.29 2.11 -0.15 2.44 2.96 -0.01 -1.10 118.68 125.22 3jsg s LEU 61 Ca -0.03 -0.66 -0.05 0.00 -0.22 0.00 0.00 54.13 53.17 3jsg s LEU 61 Cb -0.07 -1.43 -0.03 0.00 0.50 0.00 0.00 46.19 45.16 3jsg s LEU 61 CO -0.00 -0.02 0.00 -1.00 -1.32 0.00 0.00 176.35 174.01 3jsg s HIS 62 N 1.32 3.12 -0.03 5.38 3.76 -0.04 -0.82 115.29 127.97 3jsg s HIS 62 Ca 0.04 -0.09 -0.10 0.00 -0.15 0.00 0.00 55.06 54.76 3jsg s HIS 62 Cb -0.13 -1.97 0.01 0.00 1.11 0.00 0.00 32.58 31.61 3jsg s HIS 62 CO -0.12 0.11 0.22 0.45 -0.85 0.00 0.00 174.74 174.55 3jsg s SER 63 N 0.14 -0.13 -0.70 1.40 0.15 -0.63 -1.22 113.70 112.71 3jsg s SER 63 Ca 0.01 0.11 -0.24 0.00 0.70 0.00 0.00 55.95 56.53 3jsg s SER 63 Cb -0.13 0.33 0.06 0.00 -1.71 0.00 0.00 66.02 64.57 3jsg s SER 63 CO 0.02 -0.30 1.09 -0.63 1.20 0.00 0.00 173.24 174.62 3jsg s ILE 64 N -0.86 4.10 0.07 6.45 1.01 -1.26 -0.56 121.20 130.15 3jsg s ILE 64 Ca -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.46 3jsg s ILE 64 Cb -0.05 -4.78 0.00 0.00 0.01 0.00 0.00 42.46 37.64 3jsg s ILE 64 CO 0.02 -1.62 0.00 0.61 0.00 0.00 0.00 174.94 173.95 3jsg n GLY 65 N 5.37 -2.19 2.34 6.18 0.00 -1.26 -4.94 105.19 110.70 3jsg n GLY 65 Ca -0.00 -1.46 -0.15 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.64 -1.15 -5.20 1.61 4.76 -1.26 -4.92 118.16 110.35 3jsg n LYS 66 Ca 0.00 0.85 -0.32 0.00 -2.87 0.00 0.00 58.31 55.97 3jsg n LYS 66 Cb 0.13 -5.11 -0.17 0.00 -1.84 0.00 0.00 35.03 28.05 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 -2.68 2.13 0.00 -0.18 -1.09 -1.26 -4.85 121.20 113.27 3jsg s ILE 67 Ca 0.00 -1.01 0.00 0.00 -2.23 0.00 0.00 60.65 57.41 3jsg s ILE 67 Cb 0.00 -1.80 0.00 0.00 -1.58 0.00 0.00 42.46 39.08 3jsg s ILE 67 CO 0.00 0.56 0.00 0.61 -1.23 0.00 0.00 174.94 174.88 3jsg n GLY 68 N 3.33 0.00 0.28 6.18 0.00 -1.26 -4.98 105.19 108.74 3jsg n GLY 68 Ca -0.18 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.81 3jsg n GLY 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3jsg h GLY 69 N 0.00 -1.32 1.12 -0.02 0.00 -1.99 0.37 103.07 101.23 3jsg h GLY 69 Ca 0.00 0.72 -0.14 0.00 0.00 0.00 0.00 47.33 47.90 3jsg h GLY 69 CO 0.00 -0.36 -0.28 0.00 0.00 0.00 0.00 176.54 175.90 3jsg h ALA 70 N -0.66 0.65 -0.57 3.60 0.00 -2.00 -2.60 119.26 117.68 3jsg h ALA 70 Ca 0.03 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 3jsg h ALA 70 Cb 0.39 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3jsg h ALA 70 CO -0.30 0.68 0.19 1.96 0.00 0.00 0.00 179.25 181.77 3jsg h GLN 71 N 0.83 0.87 -0.54 0.00 4.20 -1.88 -2.12 115.11 116.48 3jsg h GLN 71 Ca 0.09 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.57 3jsg h GLN 71 Cb 0.86 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.49 3jsg h GLN 71 CO 0.08 0.78 0.12 -0.91 -0.67 0.00 0.00 178.83 178.23 3jsg h ASN 72 N 0.79 0.79 -0.79 1.46 -0.26 -0.19 0.21 115.58 117.58 3jsg h ASN 72 Ca 0.18 -0.14 -0.04 0.00 -0.56 0.00 0.00 56.30 55.74 3jsg h ASN 72 Cb 0.27 -0.21 -0.04 0.00 -1.06 0.00 0.00 38.32 37.29 3jsg h ASN 72 CO -0.01 0.78 0.34 0.03 -1.06 0.00 0.00 177.43 177.51 3jsg h ARG 73 N 0.81 1.17 -0.54 0.81 3.08 -1.21 -0.48 114.38 118.02 3jsg h ARG 73 Ca 0.18 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 3jsg h ARG 73 Cb 0.31 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3jsg h ARG 73 CO 0.00 0.94 0.14 1.03 -1.07 0.00 0.00 179.97 181.00 3jsg h SER 74 N 1.14 0.81 -0.68 7.04 0.87 -0.68 -2.25 113.55 119.80 3jsg h SER 74 Ca 0.27 -0.23 -0.03 0.00 -1.23 0.00 0.00 61.79 60.56 3jsg h SER 74 Cb 0.19 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 3jsg h SER 74 CO -0.03 0.83 0.31 1.88 -0.53 0.00 0.00 176.83 179.29 3jsg h TYR 75 N 0.76 1.03 -0.42 2.24 0.05 -0.62 -2.08 116.97 117.93 3jsg h TYR 75 Ca 0.17 -0.06 -0.07 0.00 0.05 0.00 0.00 58.73 58.83 3jsg h TYR 75 Cb 0.33 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.74 3jsg h TYR 75 CO 0.02 0.77 0.01 0.77 -1.05 0.00 0.00 178.16 178.68 3jsg h SER 76 N 1.01 0.73 -0.33 3.88 0.02 -0.84 0.16 113.55 118.17 3jsg h SER 76 Ca 0.24 -0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3jsg h SER 76 Cb 0.16 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 3jsg h SER 76 CO -0.03 0.86 0.21 0.50 -1.14 0.00 0.00 176.83 177.23 3jsg h LYS 77 N 0.58 0.45 0.31 3.45 3.64 -1.25 0.10 116.57 123.86 3jsg h LYS 77 Ca 0.12 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3jsg h LYS 77 Cb 0.48 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3jsg h LYS 77 CO 0.02 0.33 -0.15 1.25 -2.27 0.00 0.00 179.45 178.63 3jsg h LEU 78 N 0.44 -0.36 -0.11 5.20 5.85 -1.15 -1.49 115.31 123.70 3jsg h LEU 78 Ca 0.12 0.01 -0.24 0.00 0.84 0.00 0.00 57.88 58.60 3jsg h LEU 78 Cb -0.01 0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.13 3jsg h LEU 78 CO -0.02 -0.25 -0.91 -0.07 -0.34 0.00 0.00 178.44 176.84 3jsg h LEU 79 N -0.43 0.86 -1.12 2.25 3.38 -0.60 -1.95 115.31 117.70 3jsg h LEU 79 Ca -0.04 -0.63 -0.02 0.00 0.09 0.00 0.00 57.88 57.27 3jsg h LEU 79 Cb 0.33 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3jsg h LEU 79 CO 0.07 1.43 0.35 0.00 0.09 0.00 0.00 178.44 180.38 3jsg h GLY 81 N 1.03 0.90 1.12 0.00 0.00 -0.95 -0.96 103.07 104.21 3jsg h GLY 81 Ca 0.24 -0.42 -0.14 0.00 0.00 0.00 0.00 47.33 47.01 3jsg h GLY 81 CO -0.03 0.40 -0.24 1.41 0.00 0.00 0.00 176.54 178.07 3jsg h LEU 82 N 0.80 1.03 -0.83 3.11 3.38 -1.06 -0.94 115.31 120.81 3jsg h LEU 82 Ca 0.21 -0.41 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 3jsg h LEU 82 Cb 0.07 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3jsg h LEU 82 CO -0.03 1.21 -0.16 -0.07 0.09 0.00 0.00 178.44 179.48 3jsg h LEU 83 N 0.85 0.69 -0.07 1.67 3.38 -1.07 0.27 115.31 121.04 3jsg h LEU 83 Ca 0.10 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3jsg h LEU 83 Cb 0.83 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 3jsg h LEU 83 CO 0.07 0.87 -0.04 0.00 0.09 0.00 0.00 178.44 179.43 3jsg h ALA 84 N 1.20 0.09 -0.39 1.53 0.00 -1.06 -0.11 119.26 120.52 3jsg h ALA 84 Ca 0.10 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 3jsg h ALA 84 Cb 0.63 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3jsg h ALA 84 CO 0.04 -0.14 -0.29 1.49 0.00 0.00 0.00 179.25 180.35 3jsg h GLU 85 N -0.25 0.85 0.02 0.00 4.81 -1.08 -1.83 114.58 117.09 3jsg h GLU 85 Ca 0.01 -0.39 -0.37 0.00 -0.13 0.00 0.00 59.36 58.49 3jsg h GLU 85 Cb 0.50 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.80 3jsg h GLU 85 CO 0.01 1.02 -2.28 0.54 -0.73 0.00 0.00 179.01 177.58 3jsg n ARG 86 N -4.08 0.68 0.00 1.92 5.12 0.08 -4.50 116.66 115.87 3jsg n ARG 86 Ca -0.01 0.13 0.04 0.00 -1.93 0.00 0.00 57.85 56.08 3jsg n ARG 86 Cb 0.48 -1.58 -0.00 0.00 -1.16 0.00 0.00 32.46 30.20 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 -3.08 1.10 -2.67 0.55 4.77 -0.14 -4.65 117.00 112.87 3jsg n LEU 87 Ca -0.36 -0.77 -0.19 0.00 -0.03 0.00 0.00 56.01 54.67 3jsg n LEU 87 Cb 1.07 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 42.19 3jsg n LEU 87 CO 0.37 0.23 0.04 0.54 -1.33 0.00 0.00 177.39 177.24 3jsg n ARG 88 N -0.29 -4.67 -3.68 3.23 1.74 -0.67 -4.96 116.66 107.36 3jsg n ARG 88 Ca 0.03 0.75 -0.36 0.00 -0.77 0.00 0.00 57.85 57.51 3jsg n ARG 88 Cb 0.17 -5.32 -0.08 0.00 -1.02 0.00 0.00 32.46 26.21 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 -3.12 5.38 0.23 0.55 1.01 -1.06 -4.94 121.20 119.25 3jsg s ILE 89 Ca 0.31 0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.90 3jsg s ILE 89 Cb -0.13 -3.50 -0.10 0.00 0.01 0.00 0.00 42.46 38.73 3jsg s ILE 89 CO 0.38 0.41 1.49 -0.55 0.00 0.00 0.00 174.94 176.67 3jsg s SER 90 N 0.51 6.60 0.55 3.58 0.15 -1.26 -3.40 113.70 120.43 3jsg s SER 90 Ca 0.09 2.68 0.26 0.00 0.70 0.00 0.00 55.95 59.68 3jsg s SER 90 Cb -0.12 -2.62 1.44 0.00 -1.71 0.00 0.00 66.02 63.02 3jsg s SER 90 CO 0.00 -0.76 2.01 -0.65 1.20 0.00 0.00 173.24 175.04 3jsg h PRO 91 N 5.56 0.00 -0.10 5.44 0.11 -1.97 0.69 132.00 141.74 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 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3jsg h PRO 91 CO 0.82 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.21 3jsg n ASP 92 N -4.22 0.62 -0.84 -2.05 5.75 -1.26 -2.69 116.55 111.86 3jsg n ASP 92 Ca 0.07 -1.84 0.03 0.00 -0.01 0.00 0.00 54.79 53.04 3jsg n ASP 92 Cb 0.53 -0.07 0.17 0.00 -1.03 0.00 0.00 41.12 40.73 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 -0.24 1.63 -5.03 0.11 1.74 0.24 -5.00 116.66 110.11 3jsg n ARG 93 Ca 0.08 -3.27 -0.30 0.00 -0.77 0.00 0.00 57.85 53.59 3jsg n ARG 93 Cb 0.12 -1.53 -0.17 0.00 -1.02 0.00 0.00 32.46 29.86 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 -3.07 1.77 -0.07 1.55 1.01 -1.09 -1.52 120.40 118.99 3jsg s VAL 94 Ca 0.39 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.53 3jsg s VAL 94 Cb 0.38 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 3jsg s VAL 94 CO -0.07 0.50 -0.11 -0.31 0.00 0.00 0.00 175.10 175.11 3jsg s TYR 95 N 0.40 2.81 -0.17 5.22 2.02 -0.66 -5.00 117.35 121.97 3jsg s TYR 95 Ca -0.17 -0.13 -0.00 0.00 -0.37 0.00 0.00 57.07 56.40 3jsg s TYR 95 Cb -0.17 -1.69 0.04 0.00 -0.40 0.00 0.00 41.96 39.74 3jsg s TYR 95 CO 0.07 0.20 -0.07 0.42 -1.57 0.00 0.00 175.55 174.60 3jsg s ILE 96 N -0.64 1.27 -0.16 2.71 1.01 -1.26 -0.36 121.20 123.76 3jsg s ILE 96 Ca 0.09 -0.72 -0.22 0.00 0.00 0.00 0.00 60.65 59.81 3jsg s ILE 96 Cb -0.11 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 3jsg s ILE 96 CO 0.01 0.16 0.68 0.20 0.00 0.00 0.00 174.94 175.99 3jsg s ASN 97 N 1.57 6.79 -0.17 3.58 0.01 -0.02 -4.94 114.94 121.76 3jsg s ASN 97 Ca 0.01 0.96 -0.09 0.00 -0.71 0.00 0.00 52.86 53.03 3jsg s ASN 97 Cb -0.15 -2.38 -0.05 0.00 0.41 0.00 0.00 41.25 39.08 3jsg s ASN 97 CO -0.08 -0.26 0.13 -0.31 -1.51 0.00 0.00 177.10 175.07 3jsg s TYR 98 N 1.70 3.48 -0.13 2.20 2.02 -1.26 -0.83 117.35 124.52 3jsg s TYR 98 Ca 0.32 0.40 0.00 0.00 -0.37 0.00 0.00 57.07 57.42 3jsg s TYR 98 Cb -0.16 -2.07 0.02 0.00 -0.40 0.00 0.00 41.96 39.35 3jsg s TYR 98 CO 0.12 0.46 -0.11 0.71 -1.57 0.00 0.00 175.55 175.16 3jsg s TYR 99 N -0.18 1.83 -0.59 2.71 2.02 -0.00 -4.97 117.35 118.17 3jsg s TYR 99 Ca 0.11 -0.97 -0.23 0.00 -0.37 0.00 0.00 57.07 55.61 3jsg s TYR 99 Cb -0.11 -1.41 0.05 0.00 -0.40 0.00 0.00 41.96 40.09 3jsg s TYR 99 CO 0.00 -0.58 0.92 0.34 -1.57 0.00 0.00 175.55 174.67 3jsg s ASP 100 N 1.52 6.27 0.12 2.29 -1.08 -1.26 -1.61 116.67 122.92 3jsg s ASP 100 Ca 0.04 -0.62 -0.20 0.00 -0.52 0.00 0.00 52.55 51.24 3jsg s ASP 100 Cb -0.13 -2.42 -0.07 0.00 -1.46 0.00 0.00 42.92 38.84 3jsg s ASP 100 CO -0.09 -1.28 0.63 -0.04 0.52 0.00 0.00 175.17 174.92 3jsg s MET 101 N 3.89 4.26 0.31 4.34 -1.94 0.28 -4.91 119.30 125.52 3jsg s MET 101 Ca 0.26 0.82 -0.27 0.00 -1.71 0.00 0.00 55.69 54.79 3jsg s MET 101 Cb -0.15 -3.15 -0.10 0.00 2.01 0.00 0.00 34.83 33.45 3jsg s MET 101 CO 0.15 0.57 0.97 1.21 -0.01 0.00 0.00 175.02 177.91 3jsg s ASN 102 N -1.27 7.33 0.47 3.03 2.47 -1.26 -4.07 114.94 121.64 3jsg s ASN 102 Ca 0.33 1.92 0.15 0.00 0.42 0.00 0.00 52.86 55.69 3jsg s ASN 102 Cb -0.19 -2.59 1.14 0.00 -1.45 0.00 0.00 41.25 38.16 3jsg s ASN 102 CO 0.21 -0.07 2.05 0.00 -3.72 0.00 0.00 177.10 175.56 3jsg h ALA 103 N 3.36 2.05 0.00 1.71 0.00 -1.95 0.64 119.26 125.08 3jsg h ALA 103 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3jsg h ALA 103 Cb 1.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3jsg h ALA 103 CO 0.65 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.78 3jsg h ALA 104 N 1.80 1.00 -0.45 0.00 0.00 -1.92 -2.66 119.26 117.03 3jsg h ALA 104 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3jsg h ALA 104 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3jsg h ALA 104 CO -0.03 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.31 3jsg n ASN 105 N -2.69 4.01 -4.05 0.00 5.03 0.21 -4.83 115.26 112.94 3jsg n ASN 105 Ca 0.01 -2.49 -0.32 0.00 0.87 0.00 0.00 54.58 52.66 3jsg n ASN 105 Cb 0.28 -0.47 -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 -1.89 1.95 0.22 2.41 1.01 -1.16 -4.90 120.40 118.04 3jsg s VAL 106 Ca 0.41 -1.31 -0.17 0.00 0.00 0.00 0.00 61.98 60.90 3jsg s VAL 106 Cb 0.27 -2.01 -0.08 0.00 0.00 0.00 0.00 36.38 34.56 3jsg s VAL 106 CO 0.17 0.11 0.68 -0.83 0.00 0.00 0.00 175.10 175.24 3jsg s GLY 107 N 1.24 2.51 -0.28 4.51 0.00 -1.26 -2.68 107.32 111.37 3jsg s GLY 107 Ca -0.04 0.06 -0.24 0.00 0.00 0.00 0.00 44.72 44.49 3jsg s GLY 107 CO -0.07 0.36 0.87 0.86 0.00 0.00 0.00 173.10 175.12 3jsg s TRP 108 N -1.61 -0.65 -1.34 1.90 -0.00 0.52 -4.95 118.94 112.82 3jsg s TRP 108 Ca 0.44 1.55 -0.00 0.00 -0.00 0.00 0.00 56.10 58.09 3jsg s TRP 108 Cb -0.15 0.33 0.00 0.00 -0.00 0.00 0.00 33.47 33.66 3jsg s TRP 108 CO 0.20 -0.31 0.63 -1.71 -0.00 0.00 0.00 176.95 175.75 3jsg n ASN 109 N 2.59 -0.96 0.00 5.86 4.05 -1.26 -1.33 115.26 124.21 3jsg n ASN 109 Ca -0.14 -0.87 0.00 0.00 0.45 0.00 0.00 54.58 54.02 3jsg n ASN 109 Cb 0.56 -3.79 0.00 0.00 1.23 0.00 0.00 39.78 37.78 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 -3.04 -1.30 0.00 1.20 3.02 -1.26 -4.90 115.26 108.99 3jsg n ASN 110 Ca -0.30 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 3jsg n ASN 110 Cb 0.68 -0.99 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 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 -0.10 0.00 -1.87 6.41 2.88 -0.44 -5.19 113.62 115.31 3jsg n SER 111 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 3jsg n SER 111 Cb 0.05 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.50 3jsg n SER 111 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3jsg n THR 112 N 0.00 0.00 0.54 2.46 -2.24 -1.26 -0.35 114.28 113.43 3jsg n THR 112 Ca 0.00 -0.31 0.09 0.00 -2.27 0.00 0.00 64.05 61.56 3jsg n THR 112 Cb 0.00 0.11 0.25 0.00 -2.10 0.00 0.00 70.33 68.59 3jsg n THR 112 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3jsg n PHE 113 N -0.13 0.56 -3.13 4.78 3.72 -1.01 -4.62 117.46 117.63 3jsg n PHE 113 Ca -0.01 -0.28 -0.45 0.00 -0.05 0.00 0.00 57.45 56.66 3jsg n PHE 113 Cb 0.08 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.59 3jsg n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3jsg s ALA 114 N -1.44 3.57 -0.75 4.37 0.00 -1.17 -4.74 121.76 121.60 3jsg s ALA 114 Ca 0.34 -2.63 0.07 0.00 0.00 0.00 0.00 51.96 49.75 3jsg s ALA 114 Cb 0.18 -3.64 0.16 0.00 0.00 0.00 0.00 23.12 19.82 3jsg s ALA 114 CO 0.25 -2.47 1.02 1.28 0.00 0.00 0.00 175.76 175.83 3jsg n LEU 115 N 5.78 2.27 -0.02 0.00 4.77 -1.26 -4.70 117.00 123.84 3jsg n LEU 115 Ca 0.04 -1.64 0.00 0.00 -0.03 0.00 0.00 56.01 54.39 3jsg n LEU 115 Cb 0.45 -0.10 -0.13 0.00 -2.33 0.00 0.00 43.42 41.31 3jsg n LEU 115 CO 0.50 0.54 -0.69 -0.62 -1.33 0.00 0.00 177.39 175.79 3jsg n GLU 116 N 0.28 0.65 -4.08 3.23 4.71 -1.26 -4.99 120.64 119.19 3jsg n GLU 116 Ca 0.07 0.02 -0.10 0.00 -0.01 0.00 0.00 57.16 57.14 3jsg n GLU 116 Cb 0.31 -1.63 -0.11 0.00 -1.01 0.00 0.00 31.44 29.00 3jsg n GLU 116 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 3jsg s HIS 117 N -2.98 0.59 0.00 -0.32 3.76 -1.26 -5.34 115.29 109.75 3jsg s HIS 117 Ca -0.07 -0.77 0.00 0.00 -0.15 0.00 0.00 55.06 54.07 3jsg s HIS 117 Cb 0.09 -0.38 0.00 0.00 1.11 0.00 0.00 32.58 33.40 3jsg s HIS 117 CO 0.85 -0.21 0.32 0.72 -0.85 0.00 0.00 174.74 175.56