#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j1a h LEU 2 N 0.00 0.03 -1.50 -4.53 3.38 -1.49 -1.13 115.31 110.06 1j1a h LEU 2 Ca 0.00 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1j1a h LEU 2 Cb 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1j1a h LEU 2 CO 0.00 0.07 -0.26 -0.37 0.09 0.00 0.00 178.44 177.98 1j1a h VAL 3 N -0.02 1.04 -0.26 1.22 -1.51 -1.98 0.44 116.25 115.18 1j1a h VAL 3 Ca 0.01 -0.92 -0.06 0.00 -1.23 0.00 0.00 66.70 64.50 1j1a h VAL 3 Cb 0.05 1.52 -0.01 0.00 -2.13 0.00 0.00 31.29 30.72 1j1a h VAL 3 CO -0.00 0.25 -0.07 0.78 -1.23 0.00 0.00 177.57 177.30 1j1a h ASN 4 N 0.00 0.50 -0.24 4.19 -0.26 -1.87 -1.92 115.58 116.00 1j1a h ASN 4 Ca -0.00 -0.37 -0.12 0.00 -0.56 0.00 0.00 56.30 55.25 1j1a h ASN 4 Cb 0.50 -0.14 -0.00 0.00 -1.06 0.00 0.00 38.32 37.62 1j1a h ASN 4 CO 0.03 0.76 -0.30 0.15 -1.06 0.00 0.00 177.43 177.01 1j1a h PHE 5 N 0.24 0.76 -0.26 1.19 3.57 -0.57 -0.90 116.94 120.97 1j1a h PHE 5 Ca 0.06 -0.25 0.01 0.00 3.53 0.00 0.00 57.97 61.33 1j1a h PHE 5 Cb 0.54 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1j1a h PHE 5 CO 0.05 0.98 0.14 1.25 -2.23 0.00 0.00 178.31 178.50 1j1a h HIS 6 N 0.33 0.26 -0.54 0.41 2.76 -0.19 -0.44 115.15 117.74 1j1a h HIS 6 Ca 0.03 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.19 1j1a h HIS 6 Cb 0.88 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.74 1j1a h HIS 6 CO 0.08 0.15 0.26 0.00 -1.30 0.00 0.00 177.93 177.12 1j1a h ARG 7 N 0.29 0.77 -0.46 5.26 3.08 -1.32 -2.46 114.38 119.55 1j1a h ARG 7 Ca 0.10 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.06 1j1a h ARG 7 Cb 0.01 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 1j1a h ARG 7 CO -0.06 0.63 0.27 1.98 -1.07 0.00 0.00 179.97 181.73 1j1a h MET 8 N 0.72 0.53 -0.76 0.04 4.05 -0.59 -1.81 114.93 117.11 1j1a h MET 8 Ca 0.18 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.57 1j1a h MET 8 Cb 0.12 -0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 30.76 1j1a h MET 8 CO -0.02 0.35 0.48 0.82 0.23 0.00 0.00 176.91 178.78 1j1a h ILE 9 N 0.55 1.20 -0.42 1.77 2.04 -0.87 -1.49 117.51 120.29 1j1a h ILE 9 Ca 0.18 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 1j1a h ILE 9 Cb 0.01 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.18 1j1a h ILE 9 CO -0.08 0.20 0.13 0.50 0.00 0.00 0.00 178.15 178.90 1j1a h LYS 10 N 1.03 0.61 -0.61 2.37 3.64 -0.97 0.44 116.57 123.08 1j1a h LYS 10 Ca 0.28 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1j1a h LYS 10 Cb -0.08 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 1j1a h LYS 10 CO -0.06 0.54 0.31 -0.07 -2.27 0.00 0.00 179.45 177.90 1j1a h LEU 11 N 0.60 0.78 0.00 5.20 -0.00 -0.46 -0.32 115.31 121.11 1j1a h LEU 11 Ca 0.14 -0.12 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1j1a h LEU 11 Cb 0.19 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 1j1a h LEU 11 CO -0.01 0.68 -1.16 0.35 -0.00 0.00 0.00 178.44 178.30 1j1a n THR 12 N -4.53 0.43 0.00 0.22 -2.24 -0.78 -4.44 114.28 102.93 1j1a n THR 12 Ca 0.04 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1j1a n THR 12 Cb 0.11 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 1j1a n THR 12 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1j1a n THR 13 N -2.46 0.00 0.00 4.28 -2.24 0.11 -4.57 114.28 109.40 1j1a n THR 13 Ca -0.00 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1j1a n THR 13 Cb 0.53 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 1j1a n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j1a n GLY 14 N 2.09 2.92 3.86 3.38 0.00 -0.13 -5.00 105.19 112.30 1j1a n GLY 14 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1j1a n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j1a s LYS 15 N -0.04 3.94 -0.61 1.61 1.02 -1.26 -4.96 119.74 119.45 1j1a s LYS 15 Ca 0.00 0.57 -0.28 0.00 0.02 0.00 0.00 55.97 56.28 1j1a s LYS 15 Cb 0.00 -2.47 0.02 0.00 -0.52 0.00 0.00 37.83 34.86 1j1a s LYS 15 CO 0.00 0.18 1.29 -1.21 -0.92 0.00 0.00 175.35 174.69 1j1a s GLU 16 N -3.01 3.37 0.15 1.68 0.41 -1.26 -3.86 118.70 116.19 1j1a s GLU 16 Ca 0.53 0.22 -0.31 0.00 -0.41 0.00 0.00 54.97 55.00 1j1a s GLU 16 Cb -0.10 -4.09 -0.07 0.00 -1.78 0.00 0.00 34.13 28.09 1j1a s GLU 16 CO 0.19 -1.87 1.55 0.00 -0.49 0.00 0.00 175.26 174.64 1j1a h ALA 17 N 10.18 -0.61 -0.83 5.21 0.00 -1.93 -2.55 119.26 128.72 1j1a h ALA 17 Ca -0.26 0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.80 1j1a h ALA 17 Cb 1.07 1.22 -0.11 0.00 0.00 0.00 0.00 17.79 19.97 1j1a h ALA 17 CO 1.20 -0.98 -0.57 0.00 0.00 0.00 0.00 179.25 178.90 1j1a h ALA 18 N 0.31 -0.57 0.00 0.00 0.00 -1.94 0.11 119.26 117.16 1j1a h ALA 18 Ca 0.13 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1j1a h ALA 18 Cb 0.51 1.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.57 1j1a h ALA 18 CO -0.77 -0.97 -0.67 -0.07 0.00 0.00 0.00 179.25 176.76 1j1a h LEU 19 N -0.11 0.00 -0.09 0.00 3.38 -1.98 0.19 115.31 116.69 1j1a h LEU 19 Ca 0.15 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.87 1j1a h LEU 19 Cb 0.47 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.23 1j1a h LEU 19 CO -0.85 0.42 -0.95 0.28 0.09 0.00 0.00 178.44 177.44 1j1a h SER 20 N 0.00 0.84 -0.00 -0.43 0.02 -1.00 -3.38 113.55 109.59 1j1a h SER 20 Ca -0.04 -0.63 0.00 0.00 -0.84 0.00 0.00 61.79 60.28 1j1a h SER 20 Cb 1.36 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1j1a h SER 20 CO 0.05 1.43 -0.06 -1.22 -1.14 0.00 0.00 176.83 175.90 1j1a n TYR 21 N -3.85 0.00 -0.27 3.45 4.02 0.33 -4.58 117.16 116.26 1j1a n TYR 21 Ca -0.09 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 57.95 1j1a n TYR 21 Cb 0.83 0.00 0.42 0.00 -0.02 0.00 0.00 39.34 40.57 1j1a n TYR 21 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1j1a h GLY 22 N 0.33 1.16 -0.07 2.72 0.00 -0.64 -2.71 103.07 103.86 1j1a h GLY 22 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1j1a h GLY 22 CO 0.00 0.03 -0.03 0.69 0.00 0.00 0.00 176.54 177.23 1j1a n PHE 23 N -4.57 0.00 -1.91 5.60 3.01 -1.26 -3.45 117.46 114.88 1j1a n PHE 23 Ca 0.19 -0.67 -0.41 0.00 1.01 0.00 0.00 57.45 57.57 1j1a n PHE 23 Cb 0.56 -0.09 -0.02 0.00 -0.01 0.00 0.00 39.48 39.93 1j1a n PHE 23 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 1j1a s TYR 24 N -1.74 2.84 0.00 1.38 5.04 -1.01 -3.15 117.35 120.71 1j1a s TYR 24 Ca 0.15 1.04 0.00 0.00 -2.44 0.00 0.00 57.07 55.82 1j1a s TYR 24 Cb 0.13 -3.92 0.00 0.00 0.35 0.00 0.00 41.96 38.52 1j1a s TYR 24 CO 0.01 -2.90 0.00 0.41 -1.34 0.00 0.00 175.55 171.73 1j1a n GLY 25 N 1.57 3.08 0.00 8.97 0.00 -0.84 -2.43 105.19 115.54 1j1a n GLY 25 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1j1a n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j1a n HIS 27 N -0.69 0.00 -2.97 0.00 8.25 -1.24 -2.54 115.22 116.03 1j1a n HIS 27 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 1j1a n HIS 27 Cb 0.00 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.07 1j1a n HIS 27 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j1a n GLY 29 N 2.65 -2.15 3.68 0.00 0.00 -1.22 -3.90 105.19 104.24 1j1a n GLY 29 Ca -0.01 -2.12 -0.46 0.00 0.00 0.00 0.00 46.02 43.43 1j1a n GLY 29 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1j1a n VAL 30 N -0.05 0.22 -4.59 1.61 0.31 -1.26 -4.71 118.33 109.85 1j1a n VAL 30 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1j1a n VAL 30 Cb 0.00 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.20 1j1a n VAL 30 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j1a n GLY 31 N 3.83 0.90 0.00 2.92 0.00 -1.26 -5.01 105.19 106.57 1j1a n GLY 31 Ca 0.19 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1j1a n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j1a n GLY 32 N 0.00 3.61 3.13 -0.02 0.00 -1.26 -4.66 105.19 105.99 1j1a n GLY 32 Ca 0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 1j1a n GLY 32 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1j1a s ARG 33 N -1.88 0.73 1.00 1.61 1.70 -1.05 -4.97 118.95 116.09 1j1a s ARG 33 Ca 0.00 -1.20 0.00 0.00 -0.47 0.00 0.00 55.73 54.06 1j1a s ARG 33 Cb 0.00 0.25 0.00 0.00 -0.57 0.00 0.00 34.95 34.63 1j1a s ARG 33 CO 0.00 -0.18 0.00 0.41 -1.08 0.00 0.00 175.30 174.45 1j1a n GLY 34 N 0.03 -2.11 3.73 3.88 0.00 -1.26 -4.67 105.19 104.79 1j1a n GLY 34 Ca -0.13 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 1j1a n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j1a s SER 35 N -3.99 7.33 0.39 1.61 0.01 -0.85 -4.12 113.70 114.09 1j1a s SER 35 Ca 0.00 1.60 -0.27 0.00 1.31 0.00 0.00 55.95 58.59 1j1a s SER 35 Cb 0.00 -2.53 -0.10 0.00 0.21 0.00 0.00 66.02 63.60 1j1a s SER 35 CO 0.00 -0.09 1.45 -2.16 0.41 0.00 0.00 173.24 172.85 1j1a s PRO 36 N 0.28 4.02 0.21 12.44 0.04 -1.26 -4.75 135.00 145.98 1j1a s PRO 36 Ca 0.45 2.49 0.09 0.00 0.04 0.00 0.00 61.00 64.07 1j1a s PRO 36 Cb -0.21 -2.89 0.12 0.00 0.04 0.00 0.00 34.50 31.55 1j1a s PRO 36 CO 0.26 -0.57 1.47 0.87 0.04 0.00 0.00 177.00 179.07 1j1a h LYS 37 N 2.85 0.00 0.00 4.56 1.79 -1.94 -3.48 116.57 120.35 1j1a h LYS 37 Ca -0.51 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 1j1a h LYS 37 Cb 1.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 1j1a h LYS 37 CO 0.63 0.77 0.00 -0.40 -1.08 0.00 0.00 179.45 179.38 1j1a n ASP 38 N -3.60 0.00 -0.11 0.86 5.68 -1.26 -5.01 116.55 113.11 1j1a n ASP 38 Ca -0.01 -0.70 -0.09 0.00 -0.50 0.00 0.00 54.79 53.49 1j1a n ASP 38 Cb 0.75 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.71 1j1a n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1j1a h ALA 39 N 2.00 0.43 -0.58 2.12 0.00 -1.94 -0.80 119.26 120.50 1j1a h ALA 39 Ca 0.00 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.89 1j1a h ALA 39 Cb 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.59 1j1a h ALA 39 CO 0.00 0.01 0.20 1.15 0.00 0.00 0.00 179.25 180.60 1j1a h THR 40 N 0.40 0.76 0.00 0.00 2.02 -1.91 0.21 112.91 114.39 1j1a h THR 40 Ca 0.11 -0.13 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 1j1a h THR 40 Cb 0.14 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1j1a h THR 40 CO -0.01 0.07 -0.28 -0.78 0.37 0.00 0.00 175.52 174.88 1j1a h ASP 41 N 0.37 0.00 0.63 4.18 3.58 -1.85 -1.45 116.42 121.87 1j1a h ASP 41 Ca 0.29 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.62 1j1a h ASP 41 Cb 0.36 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 1j1a h ASP 41 CO -0.31 0.28 -0.57 -0.09 -2.88 0.00 0.00 179.24 175.67 1j1a h ARG 42 N 0.00 0.00 -0.61 0.28 2.43 0.82 -2.29 114.38 115.01 1j1a h ARG 42 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1j1a h ARG 42 Cb 0.50 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 1j1a h ARG 42 CO 0.04 0.57 0.39 0.00 -1.51 0.00 0.00 179.97 179.46 1j1a h VAL 45 N 0.52 1.19 -0.57 0.00 2.07 -1.06 0.41 116.25 118.79 1j1a h VAL 45 Ca 0.07 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 1j1a h VAL 45 Cb 0.70 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1j1a h VAL 45 CO 0.05 0.18 0.18 0.74 0.02 0.00 0.00 177.57 178.74 1j1a h THR 46 N 0.99 1.24 -0.55 2.57 2.02 -1.20 -2.64 112.91 115.34 1j1a h THR 46 Ca 0.27 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 66.60 1j1a h THR 46 Cb -0.11 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 1j1a h THR 46 CO -0.06 0.31 0.22 -0.74 0.37 0.00 0.00 175.52 175.62 1j1a h HIS 47 N 0.81 0.83 -0.29 3.16 2.76 -0.34 -1.28 115.15 120.80 1j1a h HIS 47 Ca 0.18 -0.06 0.03 0.00 -2.20 0.00 0.00 60.37 58.33 1j1a h HIS 47 Cb 0.29 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 28.97 1j1a h HIS 47 CO 0.02 0.67 0.08 -0.44 -1.30 0.00 0.00 177.93 176.96 1j1a h ASP 48 N 0.74 0.07 -0.79 3.26 5.19 -0.86 -0.49 116.42 123.55 1j1a h ASP 48 Ca 0.18 0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.61 1j1a h ASP 48 Cb 0.19 0.04 -0.04 0.00 0.18 0.00 0.00 39.33 39.70 1j1a h ASP 48 CO -0.02 0.07 0.43 0.00 -3.12 0.00 0.00 179.24 176.61 1j1a h TYR 51 N 0.70 0.00 -0.06 0.00 -1.99 -0.18 -2.70 116.97 112.75 1j1a h TYR 51 Ca 0.18 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.69 1j1a h TYR 51 Cb 0.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.80 1j1a h TYR 51 CO 0.01 0.27 -0.85 0.87 -0.00 0.00 0.00 178.16 178.46 1j1a h LYS 52 N 0.00 0.50 -0.34 4.88 6.56 -0.09 -1.99 116.57 126.09 1j1a h LYS 52 Ca -0.00 -0.47 -0.02 0.00 -1.06 0.00 0.00 60.65 59.10 1j1a h LYS 52 Cb 1.14 0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 32.90 1j1a h LYS 52 CO 0.04 1.10 0.13 0.00 -2.06 0.00 0.00 179.45 178.66 1j1a h ARG 53 N 0.32 0.51 -0.23 3.15 3.08 -1.23 -0.28 114.38 119.71 1j1a h ARG 53 Ca -0.06 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 59.90 1j1a h ARG 53 Cb 1.46 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.41 1j1a h ARG 53 CO 0.15 0.52 0.11 -0.07 -1.07 0.00 0.00 179.97 179.61 1j1a h LEU 54 N 0.40 0.17 0.32 3.04 4.07 -1.45 -2.67 115.31 119.20 1j1a h LEU 54 Ca 0.11 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.07 1j1a h LEU 54 Cb 0.20 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.92 1j1a h LEU 54 CO -0.01 0.13 -0.15 -0.33 -1.08 0.00 0.00 178.44 177.00 1j1a h GLU 55 N 0.24 -0.41 0.00 1.13 5.08 -1.19 0.14 114.58 119.57 1j1a h GLU 55 Ca 0.09 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1j1a h GLU 55 Cb 0.02 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1j1a h GLU 55 CO -0.06 -0.23 0.24 0.87 -1.00 0.00 0.00 179.01 178.83 1j1a h LYS 56 N -0.50 0.00 -0.02 2.33 1.57 -0.96 1.17 116.57 120.16 1j1a h LYS 56 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1j1a h LYS 56 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1j1a h LYS 56 CO 0.07 0.00 -0.20 -2.13 -0.57 0.00 0.00 179.45 176.63 1j1a n ARG 57 N -2.31 1.76 -0.54 3.15 0.63 -0.78 -4.95 116.66 113.61 1j1a n ARG 57 Ca -0.01 -1.44 0.00 0.00 -0.92 0.00 0.00 57.85 55.48 1j1a n ARG 57 Cb 0.27 -1.43 0.00 0.00 0.45 0.00 0.00 32.46 31.75 1j1a n ARG 57 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1j1a n GLY 58 N 1.30 0.75 3.82 5.14 0.00 0.40 -5.05 105.19 111.54 1j1a n GLY 58 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1j1a n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j1a s GLY 60 N -1.95 1.63 0.00 0.00 0.00 -1.26 -3.92 107.32 101.82 1j1a s GLY 60 Ca 0.52 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 45.03 1j1a s GLY 60 CO 0.19 0.17 0.00 -1.30 0.00 0.00 0.00 173.10 172.15 1j1a n THR 61 N -3.21 0.00 0.21 0.90 -2.24 -1.26 -4.76 114.28 103.92 1j1a n THR 61 Ca 0.07 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.91 1j1a n THR 61 Cb 0.56 -0.25 0.48 0.00 -2.10 0.00 0.00 70.33 69.02 1j1a n THR 61 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1j1a h LYS 62 N 0.00 0.00 -0.45 -0.78 1.57 -1.96 -3.22 116.57 111.73 1j1a h LYS 62 Ca 0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 1j1a h LYS 62 Cb 0.00 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.20 1j1a h LYS 62 CO 0.00 0.27 0.07 1.19 -0.57 0.00 0.00 179.45 180.41 1j1a n PHE 63 N -4.00 1.45 -3.99 -1.35 3.01 -1.26 -1.35 117.46 109.97 1j1a n PHE 63 Ca -0.02 -1.41 -0.33 0.00 1.01 0.00 0.00 57.45 56.70 1j1a n PHE 63 Cb 0.33 -0.53 -0.14 0.00 -0.01 0.00 0.00 39.48 39.13 1j1a n PHE 63 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1j1a s LEU 64 N -3.12 3.64 0.73 4.37 2.96 -1.21 -4.95 118.68 121.09 1j1a s LEU 64 Ca 0.47 -1.31 -0.14 0.00 -0.22 0.00 0.00 54.13 52.93 1j1a s LEU 64 Cb 0.40 -1.63 0.04 0.00 0.50 0.00 0.00 46.19 45.50 1j1a s LEU 64 CO 0.05 -0.22 1.15 -0.94 -1.32 0.00 0.00 176.35 175.07 1j1a s SER 65 N 1.18 4.40 0.13 3.68 1.04 -1.26 -0.73 113.70 122.13 1j1a s SER 65 Ca -0.07 2.15 -0.13 0.00 0.48 0.00 0.00 55.95 58.39 1j1a s SER 65 Cb -0.20 -2.57 0.01 0.00 0.10 0.00 0.00 66.02 63.37 1j1a s SER 65 CO -0.03 -2.12 0.33 -0.72 0.98 0.00 0.00 173.24 171.68 1j1a s TYR 66 N -2.29 0.02 0.03 5.02 -0.85 -1.26 -4.68 117.35 113.34 1j1a s TYR 66 Ca 0.69 -0.39 0.05 0.00 -0.52 0.00 0.00 57.07 56.90 1j1a s TYR 66 Cb -0.24 0.12 -0.03 0.00 0.38 0.00 0.00 41.96 42.18 1j1a s TYR 66 CO 0.47 -0.68 -0.08 0.15 -1.52 0.00 0.00 175.55 173.88 1j1a s LYS 67 N -3.86 2.41 -0.12 -3.49 1.02 -1.26 -4.84 119.74 109.60 1j1a s LYS 67 Ca 0.07 -0.82 -0.20 0.00 0.02 0.00 0.00 55.97 55.03 1j1a s LYS 67 Cb 0.03 -2.43 0.05 0.00 -0.52 0.00 0.00 37.83 34.96 1j1a s LYS 67 CO -0.09 0.57 0.51 -0.59 -0.92 0.00 0.00 175.35 174.84 1j1a s PHE 68 N -1.04 -0.51 0.28 3.18 -0.12 -1.26 -1.78 117.98 116.74 1j1a s PHE 68 Ca 0.18 1.09 0.09 0.00 -0.05 0.00 0.00 56.93 58.24 1j1a s PHE 68 Cb -0.11 0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.46 1j1a s PHE 68 CO 0.09 -0.38 0.08 -1.54 -0.05 0.00 0.00 175.22 173.42 1j1a s SER 69 N -0.42 4.77 -0.02 1.98 1.04 0.10 -4.90 113.70 116.26 1j1a s SER 69 Ca -0.06 -0.61 -0.10 0.00 0.48 0.00 0.00 55.95 55.67 1j1a s SER 69 Cb -0.03 -0.92 0.01 0.00 0.10 0.00 0.00 66.02 65.18 1j1a s SER 69 CO 0.04 -0.09 0.21 0.54 0.98 0.00 0.00 173.24 174.91 1j1a s ASN 70 N -3.76 -0.09 -0.74 7.02 4.22 -1.26 -0.35 114.94 119.98 1j1a s ASN 70 Ca 0.33 0.00 0.03 0.00 -2.14 0.00 0.00 52.86 51.09 1j1a s ASN 70 Cb -0.06 0.29 0.18 0.00 1.28 0.00 0.00 41.25 42.94 1j1a s ASN 70 CO 0.22 -0.35 0.55 -0.44 -2.04 0.00 0.00 177.10 175.04 1j1a s SER 71 N -1.11 5.08 1.02 3.54 0.01 -0.58 -4.98 113.70 116.68 1j1a s SER 71 Ca -0.12 -3.77 0.00 0.00 1.31 0.00 0.00 55.95 53.37 1j1a s SER 71 Cb -0.06 -1.70 0.00 0.00 0.21 0.00 0.00 66.02 64.47 1j1a s SER 71 CO 0.02 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.16 1j1a n GLY 72 N 2.13 1.71 0.00 3.44 0.00 -1.26 -2.84 105.19 108.37 1j1a n GLY 72 Ca 0.19 -0.28 0.10 0.00 0.00 0.00 0.00 46.02 46.04 1j1a n GLY 72 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j1a n SER 73 N 9.98 0.84 -4.71 1.61 2.88 -1.26 -4.88 113.62 118.08 1j1a n SER 73 Ca 0.00 -0.83 -0.42 0.00 -1.33 0.00 0.00 58.87 56.29 1j1a n SER 73 Cb 0.00 1.12 -0.03 0.00 -0.75 0.00 0.00 64.21 64.55 1j1a n SER 73 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1j1a s ARG 74 N -3.08 4.54 -0.16 -1.46 3.00 -1.13 -4.54 118.95 116.12 1j1a s ARG 74 Ca 0.06 1.54 -0.02 0.00 0.00 0.00 0.00 55.73 57.30 1j1a s ARG 74 Cb 0.16 -3.41 -0.02 0.00 0.00 0.00 0.00 34.95 31.68 1j1a s ARG 74 CO 0.87 -0.08 -0.07 0.42 0.00 0.00 0.00 175.30 176.44 1j1a s ILE 75 N 0.87 3.51 -0.17 1.52 1.09 -1.26 -1.53 121.20 125.23 1j1a s ILE 75 Ca 0.53 -0.49 0.01 0.00 -1.10 0.00 0.00 60.65 59.60 1j1a s ILE 75 Cb -0.24 -2.53 0.03 0.00 -1.06 0.00 0.00 42.46 38.66 1j1a s ILE 75 CO 0.29 0.49 -0.16 -0.89 -0.10 0.00 0.00 174.94 174.57 1j1a s THR 76 N 0.55 1.81 0.02 2.92 2.01 0.52 -5.01 115.64 118.45 1j1a s THR 76 Ca -0.05 -0.85 -0.30 0.00 0.31 0.00 0.00 61.69 60.80 1j1a s THR 76 Cb -0.15 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 1j1a s THR 76 CO 0.03 0.43 1.14 0.00 -0.69 0.00 0.00 174.62 175.54 1j1a s ALA 78 N 1.35 1.67 0.02 0.00 0.00 -0.73 -4.90 121.76 119.16 1j1a s ALA 78 Ca 0.56 0.19 -0.30 0.00 0.00 0.00 0.00 51.96 52.41 1j1a s ALA 78 Cb -0.26 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 1j1a s ALA 78 CO 0.27 -2.31 1.28 0.15 0.00 0.00 0.00 175.76 175.15 1j1a s LYS 79 N -4.83 4.35 0.00 0.00 3.01 -1.26 -4.92 119.74 116.09 1j1a s LYS 79 Ca 0.64 1.84 0.00 0.00 -1.01 0.00 0.00 55.97 57.43 1j1a s LYS 79 Cb -0.19 -3.46 0.00 0.00 -1.01 0.00 0.00 37.83 33.17 1j1a s LYS 79 CO 0.57 -0.42 0.00 0.00 0.51 0.00 0.00 175.35 176.01 1j1a n GLN 80 N 4.70 0.00 -1.95 1.68 10.64 -1.26 -5.04 117.38 126.15 1j1a n GLN 80 Ca 0.11 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 54.91 1j1a n GLN 80 Cb 0.45 0.00 0.03 0.00 -0.86 0.00 0.00 30.24 29.86 1j1a n GLN 80 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1j1a s ASP 81 N -0.99 5.36 0.06 2.61 2.15 -1.26 -4.59 116.67 120.01 1j1a s ASP 81 Ca 0.00 2.54 -0.12 0.00 0.43 0.00 0.00 52.55 55.40 1j1a s ASP 81 Cb 0.00 -2.62 -0.03 0.00 -0.30 0.00 0.00 42.92 39.98 1j1a s ASP 81 CO 0.00 -1.49 0.94 -0.24 -0.17 0.00 0.00 175.17 174.21 1j1a n SER 82 N -1.19 -0.40 0.10 -0.34 2.88 -1.26 0.66 113.62 114.07 1j1a n SER 82 Ca 0.11 1.03 -0.13 0.00 -1.33 0.00 0.00 58.87 58.55 1j1a n SER 82 Cb 0.47 -0.26 -0.06 0.00 -0.75 0.00 0.00 64.21 63.62 1j1a n SER 82 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j1a h ARG 84 N -0.50 0.19 0.06 0.00 3.08 -1.59 0.29 114.38 115.90 1j1a h ARG 84 Ca 0.04 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1j1a h ARG 84 Cb 0.54 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1j1a h ARG 84 CO -0.19 0.13 -0.03 1.03 -1.07 0.00 0.00 179.97 179.83 1j1a h SER 85 N 0.19 -0.07 -0.31 7.04 0.87 0.12 -1.14 113.55 120.25 1j1a h SER 85 Ca 0.08 -0.35 -0.02 0.00 -1.23 0.00 0.00 61.79 60.26 1j1a h SER 85 Cb 0.07 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1j1a h SER 85 CO -0.01 0.32 0.10 1.56 -0.53 0.00 0.00 176.83 178.27 1j1a h GLN 86 N -0.47 0.48 0.17 2.24 4.20 -0.04 -2.22 115.11 119.47 1j1a h GLN 86 Ca -0.01 -0.10 0.02 0.00 0.06 0.00 0.00 58.65 58.61 1j1a h GLN 86 Cb 0.41 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.09 1j1a h GLN 86 CO 0.01 0.52 -0.35 1.25 -0.67 0.00 0.00 178.83 179.60 1j1a h LEU 87 N 0.34 -1.00 -0.66 1.46 5.85 -0.47 0.21 115.31 121.04 1j1a h LEU 87 Ca 0.10 0.11 0.14 0.00 0.84 0.00 0.00 57.88 59.07 1j1a h LEU 87 Cb 0.25 0.37 -0.12 0.00 0.37 0.00 0.00 40.66 41.52 1j1a h LEU 87 CO -0.00 -0.44 -0.07 0.00 -0.34 0.00 0.00 178.44 177.58 1j1a h GLU 89 N 0.06 0.66 0.19 0.00 4.39 -0.71 0.23 114.58 119.40 1j1a h GLU 89 Ca 0.34 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1j1a h GLU 89 Cb 0.55 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1j1a h GLU 89 CO -0.62 0.76 -0.17 0.00 -1.16 0.00 0.00 179.01 177.82 1j1a h ASP 91 N -0.39 0.28 -0.23 0.00 5.19 -0.81 -2.19 116.42 118.27 1j1a h ASP 91 Ca -0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 1j1a h ASP 91 Cb 0.36 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.80 1j1a h ASP 91 CO -0.03 0.21 0.11 0.50 -3.12 0.00 0.00 179.24 176.90 1j1a h LYS 92 N 0.36 0.40 -0.08 3.56 3.64 -0.42 0.15 116.57 124.18 1j1a h LYS 92 Ca 0.12 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1j1a h LYS 92 Cb -0.00 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1j1a h LYS 92 CO -0.05 0.34 -0.02 0.00 -2.27 0.00 0.00 179.45 177.45 1j1a h ALA 93 N 1.72 0.11 -0.63 5.00 0.00 -0.54 -1.80 119.26 123.12 1j1a h ALA 93 Ca 0.10 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1j1a h ALA 93 Cb 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1j1a h ALA 93 CO -0.01 -0.18 0.17 0.00 0.00 0.00 0.00 179.25 179.24 1j1a h ALA 94 N 0.68 1.12 -0.09 0.00 0.00 -0.76 -0.22 119.26 119.99 1j1a h ALA 94 Ca 0.02 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 1j1a h ALA 94 Cb 0.41 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1j1a h ALA 94 CO 0.01 0.60 -0.48 0.00 0.00 0.00 0.00 179.25 179.37 1j1a h ALA 95 N 1.25 1.02 0.00 0.00 0.00 -0.69 -1.29 119.26 119.55 1j1a h ALA 95 Ca 0.20 -0.46 -0.20 0.00 0.00 0.00 0.00 54.91 54.45 1j1a h ALA 95 Cb 0.30 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1j1a h ALA 95 CO -0.00 0.64 -1.35 1.79 0.00 0.00 0.00 179.25 180.32 1j1a h THR 96 N 0.19 0.76 -0.54 0.00 1.35 -1.11 -2.92 112.91 110.64 1j1a h THR 96 Ca 0.01 -2.37 -0.09 0.00 -0.55 0.00 0.00 66.41 63.40 1j1a h THR 96 Cb 0.92 2.27 -0.02 0.00 -1.73 0.00 0.00 68.15 69.59 1j1a h THR 96 CO 0.07 0.43 -0.03 0.00 -0.25 0.00 0.00 175.52 175.75 1j1a h PHE 98 N 0.87 0.34 -0.22 0.00 0.05 -1.30 -2.45 116.94 114.23 1j1a h PHE 98 Ca 0.15 -0.04 0.01 0.00 3.82 0.00 0.00 57.97 61.91 1j1a h PHE 98 Cb 0.55 -0.10 -0.02 0.00 2.00 0.00 0.00 35.95 38.39 1j1a h PHE 98 CO 0.03 0.44 0.12 0.00 -0.18 0.00 0.00 178.31 178.73 1j1a h ALA 99 N 0.86 0.27 0.00 2.45 0.00 -1.30 0.12 119.26 121.67 1j1a h ALA 99 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1j1a h ALA 99 Cb 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1j1a h ALA 99 CO 0.00 -0.28 0.00 2.89 0.00 0.00 0.00 179.25 181.86 1j1a n ARG 100 N -4.97 0.31 -0.06 0.00 1.85 -0.12 -2.29 116.66 111.38 1j1a n ARG 100 Ca -0.03 0.09 0.04 0.00 -1.00 0.00 0.00 57.85 56.95 1j1a n ARG 100 Cb 0.05 -1.50 0.07 0.00 -1.05 0.00 0.00 32.46 30.02 1j1a n ARG 100 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1j1a n ASN 101 N -1.26 2.28 0.29 2.89 3.02 -0.66 -4.68 115.26 117.14 1j1a n ASN 101 Ca 0.10 -2.35 0.17 0.00 -0.03 0.00 0.00 54.58 52.47 1j1a n ASN 101 Cb 0.15 -0.17 0.89 0.00 -0.61 0.00 0.00 39.78 40.04 1j1a n ASN 101 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1j1a h LYS 102 N 0.29 0.00 0.00 3.52 3.64 -0.58 -2.21 116.57 121.22 1j1a h LYS 102 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1j1a h LYS 102 Cb 0.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1j1a h LYS 102 CO 0.01 0.05 0.00 1.79 -2.27 0.00 0.00 179.45 179.03 1j1a h THR 103 N 0.00 0.00 -0.13 1.00 1.35 -1.83 -3.01 112.91 110.29 1j1a h THR 103 Ca -0.00 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 1j1a h THR 103 Cb 0.22 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1j1a h THR 103 CO 0.01 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.63 1j1a n THR 104 N -2.95 0.34 -1.50 6.82 -2.24 -0.85 -4.96 114.28 108.93 1j1a n THR 104 Ca 0.02 -0.67 -0.46 0.00 -2.27 0.00 0.00 64.05 60.67 1j1a n THR 104 Cb 0.35 0.98 -0.06 0.00 -2.10 0.00 0.00 70.33 69.50 1j1a n THR 104 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j1a n TYR 105 N 0.59 1.62 -3.48 4.78 9.36 -1.12 -4.89 117.16 124.03 1j1a n TYR 105 Ca 0.08 0.15 -0.42 0.00 3.32 0.00 0.00 57.90 61.03 1j1a n TYR 105 Cb 0.33 -2.59 -0.10 0.00 -0.63 0.00 0.00 39.34 36.35 1j1a n TYR 105 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1j1a s ASN 106 N 8.33 6.10 0.61 2.98 3.84 -1.26 -4.92 114.94 130.61 1j1a s ASN 106 Ca 1.07 -0.69 0.27 0.00 0.21 0.00 0.00 52.86 53.72 1j1a s ASN 106 Cb -0.65 -2.15 1.36 0.00 -0.55 0.00 0.00 41.25 39.25 1j1a s ASN 106 CO 0.42 -0.37 1.77 0.50 -2.79 0.00 0.00 177.10 176.64 1j1a h LYS 107 N 8.57 0.00 -0.11 0.43 3.64 -2.01 0.26 116.57 127.36 1j1a h LYS 107 Ca -0.29 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.13 1j1a h LYS 107 Cb 1.13 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1j1a h LYS 107 CO 0.69 0.00 0.10 -0.22 -2.27 0.00 0.00 179.45 177.75 1j1a h LYS 108 N 0.00 0.00 0.00 1.90 3.64 -1.99 -2.53 116.57 117.59 1j1a h LYS 108 Ca 0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1j1a h LYS 108 Cb 1.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1j1a h LYS 108 CO -0.00 0.00 -1.78 0.66 -2.27 0.00 0.00 179.45 176.06 1j1a n TYR 109 N -4.16 0.08 -0.35 1.91 0.53 0.92 -4.62 117.16 111.46 1j1a n TYR 109 Ca -0.00 0.02 0.05 0.00 -1.02 0.00 0.00 57.90 56.95 1j1a n TYR 109 Cb 0.21 -0.47 0.13 0.00 -1.03 0.00 0.00 39.34 38.18 1j1a n TYR 109 CO 0.00 0.00 0.00 0.37 -1.02 0.00 0.00 176.86 176.21 1j1a h GLN 110 N 0.00 -0.00 -1.42 -0.72 4.15 -1.41 -0.57 115.11 115.14 1j1a h GLN 110 Ca 0.00 0.00 -0.63 0.00 0.77 0.00 0.00 58.65 58.79 1j1a h GLN 110 Cb 0.93 0.00 -0.38 0.00 0.21 0.00 0.00 27.48 28.24 1j1a h GLN 110 CO 0.00 -0.00 -0.24 0.66 -1.93 0.00 0.00 178.83 177.32 1j1a n TYR 111 N -5.61 3.18 -2.32 3.99 4.02 -1.26 -2.42 117.16 116.74 1j1a n TYR 111 Ca 0.15 -2.76 -0.41 0.00 -0.01 0.00 0.00 57.90 54.87 1j1a n TYR 111 Cb 0.49 -0.48 -0.03 0.00 -0.02 0.00 0.00 39.34 39.30 1j1a n TYR 111 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1j1a s TYR 112 N -3.69 2.16 0.17 -0.72 5.04 -0.28 -4.96 117.35 115.07 1j1a s TYR 112 Ca 0.51 0.51 -0.33 0.00 -2.44 0.00 0.00 57.07 55.32 1j1a s TYR 112 Cb 0.42 -4.34 -0.13 0.00 0.35 0.00 0.00 41.96 38.26 1j1a s TYR 112 CO -0.18 -2.10 1.67 0.45 -1.34 0.00 0.00 175.55 174.05 1j1a n SER 113 N 10.05 3.59 0.00 4.32 2.88 -1.26 -4.71 113.62 128.49 1j1a n SER 113 Ca 0.14 1.06 0.04 0.00 -1.33 0.00 0.00 58.87 58.78 1j1a n SER 113 Cb 0.49 -1.50 0.20 0.00 -0.75 0.00 0.00 64.21 62.65 1j1a n SER 113 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1j1a n ASN 114 N 3.91 0.00 0.05 -3.46 4.13 -1.26 -1.71 115.26 116.92 1j1a n ASN 114 Ca 0.17 0.17 0.13 0.00 1.68 0.00 0.00 54.58 56.73 1j1a n ASN 114 Cb 0.32 -0.28 0.51 0.00 -1.54 0.00 0.00 39.78 38.79 1j1a n ASN 114 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1j1a n LYS 115 N -1.28 0.11 -0.34 3.52 4.01 -1.26 -2.76 118.16 120.16 1j1a n LYS 115 Ca 0.04 0.12 0.10 0.00 -0.51 0.00 0.00 58.31 58.06 1j1a n LYS 115 Cb 0.06 -1.64 0.28 0.00 -0.51 0.00 0.00 35.03 33.22 1j1a n LYS 115 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1j1a n HIS 116 N -1.84 0.87 -3.53 2.13 8.25 -0.69 -4.94 115.22 115.48 1j1a n HIS 116 Ca 0.06 -0.51 -0.36 0.00 -0.26 0.00 0.00 57.72 56.64 1j1a n HIS 116 Cb 0.36 -0.03 -0.07 0.00 1.12 0.00 0.00 29.99 31.37 1j1a n HIS 116 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j1a s ARG 118 N 0.47 1.79 0.00 0.00 1.70 -1.26 -4.70 118.95 116.94 1j1a s ARG 118 Ca 0.17 -1.38 0.00 0.00 -0.47 0.00 0.00 55.73 54.04 1j1a s ARG 118 Cb -0.13 0.51 0.00 0.00 -0.57 0.00 0.00 34.95 34.76 1j1a s ARG 118 CO 0.04 -0.77 0.00 0.41 -1.08 0.00 0.00 175.30 173.90 1j1a n GLY 119 N -0.46 -2.17 3.74 3.88 0.00 -1.26 -2.02 105.19 106.90 1j1a n GLY 119 Ca -0.02 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 1j1a n GLY 119 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j1a s SER 120 N -2.40 6.86 -0.23 1.61 1.04 -1.26 -4.29 113.70 115.03 1j1a s SER 120 Ca 0.00 2.44 -0.20 0.00 0.48 0.00 0.00 55.95 58.67 1j1a s SER 120 Cb 0.00 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.48 1j1a s SER 120 CO 0.00 -0.55 0.59 -0.89 0.98 0.00 0.00 173.24 173.37 1j1a s THR 121 N 0.07 5.03 0.40 2.02 2.01 -1.26 -3.25 115.64 120.67 1j1a s THR 121 Ca 0.57 1.08 -0.26 0.00 0.31 0.00 0.00 61.69 63.39 1j1a s THR 121 Cb -0.37 -3.90 -0.10 0.00 0.01 0.00 0.00 72.50 68.13 1j1a s THR 121 CO 0.39 0.08 1.21 -2.65 -0.69 0.00 0.00 174.62 172.96 1j1a n PRO 122 N 5.36 1.80 -3.59 4.92 -0.02 -1.26 -4.98 135.00 137.24 1j1a n PRO 122 Ca -0.02 0.64 -0.34 0.00 -2.02 0.00 0.00 63.50 61.76 1j1a n PRO 122 Cb 0.49 -2.28 -0.05 0.00 -0.02 0.00 0.00 33.50 31.64 1j1a n PRO 122 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1j1a s ARG 123 N -2.09 3.74 0.00 -0.52 1.81 -1.26 -5.11 118.95 115.52 1j1a s ARG 123 Ca 0.61 0.15 0.10 0.00 -1.72 0.00 0.00 55.73 54.87 1j1a s ARG 123 Cb -0.54 -2.99 0.60 0.00 -0.45 0.00 0.00 34.95 31.57 1j1a s ARG 123 CO 0.58 0.56 1.04 0.00 -0.68 0.00 0.00 175.30 176.81