#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 0.55 -0.67 -4.53 3.38 -1.42 0.22 115.31 112.84 1j1a h LEU 2 Ca 0.00 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1j1a h LEU 2 Cb 0.00 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1j1a h LEU 2 CO 0.00 0.36 -0.00 0.58 0.09 0.00 0.00 178.44 179.46 1j1a h VAL 3 N 0.69 1.26 -0.64 1.22 2.07 -1.99 0.46 116.25 119.32 1j1a h VAL 3 Ca 0.30 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.64 1j1a h VAL 3 Cb 0.20 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1j1a h VAL 3 CO -0.19 0.41 0.20 0.78 0.02 0.00 0.00 177.57 178.80 1j1a h ASN 4 N 0.95 0.93 -0.20 0.57 -0.26 -1.74 -1.54 115.58 114.30 1j1a h ASN 4 Ca 0.17 -0.21 -0.06 0.00 -0.56 0.00 0.00 56.30 55.64 1j1a h ASN 4 Cb 0.55 -0.24 -0.00 0.00 -1.06 0.00 0.00 38.32 37.56 1j1a h ASN 4 CO 0.03 0.89 -0.12 0.15 -1.06 0.00 0.00 177.43 177.32 1j1a h PHE 5 N 0.92 0.49 -0.45 1.19 3.57 -0.64 -0.50 116.94 121.53 1j1a h PHE 5 Ca 0.21 -0.13 0.01 0.00 3.53 0.00 0.00 57.97 61.59 1j1a h PHE 5 Cb 0.29 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1j1a h PHE 5 CO 0.02 0.73 0.28 1.25 -2.23 0.00 0.00 178.31 178.37 1j1a h HIS 6 N 0.11 0.53 -0.68 0.41 2.76 -0.04 -0.64 115.15 117.61 1j1a h HIS 6 Ca 0.04 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.19 1j1a h HIS 6 Cb 0.62 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.37 1j1a h HIS 6 CO 0.07 0.33 0.28 0.00 -1.30 0.00 0.00 177.93 177.30 1j1a h ARG 7 N 0.57 1.02 -0.25 5.26 3.08 -1.25 -2.11 114.38 120.70 1j1a h ARG 7 Ca 0.17 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1j1a h ARG 7 Cb -0.04 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 1j1a h ARG 7 CO -0.05 0.84 0.14 1.98 -1.07 0.00 0.00 179.97 181.81 1j1a h MET 8 N 0.97 0.35 -0.53 0.04 4.05 -0.37 -2.04 114.93 117.41 1j1a h MET 8 Ca 0.23 -0.04 0.03 0.00 -0.28 0.00 0.00 59.70 59.64 1j1a h MET 8 Cb 0.20 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 30.89 1j1a h MET 8 CO -0.02 0.31 0.30 0.82 0.23 0.00 0.00 176.91 178.55 1j1a h ILE 9 N 0.30 1.03 -0.63 1.77 2.04 -0.96 -0.81 117.51 120.24 1j1a h ILE 9 Ca 0.09 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.79 1j1a h ILE 9 Cb 0.05 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.48 1j1a h ILE 9 CO -0.01 0.11 0.42 0.50 0.00 0.00 0.00 178.15 179.16 1j1a h LYS 10 N 0.60 0.67 -0.62 2.37 3.64 -1.10 0.10 116.57 122.22 1j1a h LYS 10 Ca 0.22 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1j1a h LYS 10 Cb 0.05 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 1j1a h LYS 10 CO -0.11 0.44 0.26 -0.07 -2.27 0.00 0.00 179.45 177.70 1j1a h LEU 11 N 0.69 0.85 0.00 5.20 -0.00 -0.45 -0.28 115.31 121.32 1j1a h LEU 11 Ca 0.26 -0.16 -0.10 0.00 -0.00 0.00 0.00 57.88 57.88 1j1a h LEU 11 Cb 0.18 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.60 1j1a h LEU 11 CO -0.08 0.78 -1.33 0.35 -0.00 0.00 0.00 178.44 178.16 1j1a n THR 12 N -4.46 0.92 0.03 0.22 -2.24 -0.73 -4.45 114.28 103.57 1j1a n THR 12 Ca 0.04 -0.63 0.01 0.00 -2.27 0.00 0.00 64.05 61.20 1j1a n THR 12 Cb 0.16 -0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 67.82 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 -2.77 0.00 -0.43 4.28 -2.24 0.28 -4.57 114.28 108.82 1j1a n THR 13 Ca -0.07 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1j1a n THR 13 Cb 0.73 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 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 2.01 2.03 3.91 3.38 0.00 -0.12 -5.01 105.19 111.39 1j1a n GLY 14 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.02 3.56 -0.53 1.61 1.02 -1.26 -4.97 119.74 119.16 1j1a s LYS 15 Ca 0.00 -0.23 -0.28 0.00 0.02 0.00 0.00 55.97 55.48 1j1a s LYS 15 Cb 0.00 -2.84 0.02 0.00 -0.52 0.00 0.00 37.83 34.48 1j1a s LYS 15 CO 0.00 0.43 1.37 -1.21 -0.92 0.00 0.00 175.35 175.01 1j1a s GLU 16 N -3.02 3.41 0.15 1.68 0.41 -1.26 -3.83 118.70 116.25 1j1a s GLU 16 Ca 0.40 0.53 -0.25 0.00 -0.41 0.00 0.00 54.97 55.23 1j1a s GLU 16 Cb -0.12 -4.08 0.02 0.00 -1.78 0.00 0.00 34.13 28.18 1j1a s GLU 16 CO 0.27 -1.80 1.59 0.00 -0.49 0.00 0.00 175.26 174.83 1j1a h ALA 17 N 10.68 -0.33 -0.79 5.21 0.00 -1.93 -2.30 119.26 129.79 1j1a h ALA 17 Ca -0.26 0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.79 1j1a h ALA 17 Cb 1.09 0.78 -0.10 0.00 0.00 0.00 0.00 17.79 19.55 1j1a h ALA 17 CO 1.16 -0.81 -0.54 0.00 0.00 0.00 0.00 179.25 179.06 1j1a h ALA 18 N 0.54 -0.57 0.00 0.00 0.00 -1.94 0.55 119.26 117.83 1j1a h ALA 18 Ca 0.14 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 1j1a h ALA 18 Cb 0.57 1.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 1j1a h ALA 18 CO -0.52 -0.93 -0.91 -0.07 0.00 0.00 0.00 179.25 176.82 1j1a h LEU 19 N -0.10 0.00 -0.51 0.00 3.38 -1.99 0.89 115.31 116.98 1j1a h LEU 19 Ca 0.13 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.93 1j1a h LEU 19 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1j1a h LEU 19 CO -0.79 0.69 -0.61 0.28 0.09 0.00 0.00 178.44 178.10 1j1a h SER 20 N 0.00 0.51 0.00 -0.43 0.02 -0.97 -3.39 113.55 109.29 1j1a h SER 20 Ca -0.06 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1j1a h SER 20 Cb 1.58 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.97 1j1a h SER 20 CO 0.08 1.00 -0.48 -1.22 -1.14 0.00 0.00 176.83 175.07 1j1a n TYR 21 N -3.91 0.00 -0.37 3.45 4.02 0.14 -4.62 117.16 115.88 1j1a n TYR 21 Ca -0.03 0.00 0.30 0.00 -0.01 0.00 0.00 57.90 58.15 1j1a n TYR 21 Cb 0.64 0.00 0.59 0.00 -0.02 0.00 0.00 39.34 40.55 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 0.00 1.08 -0.16 2.72 0.00 -0.81 -2.03 103.07 103.88 1j1a h GLY 22 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1j1a h GLY 22 CO 0.00 -0.21 -0.08 0.69 0.00 0.00 0.00 176.54 176.94 1j1a n PHE 23 N -4.59 0.00 -1.95 5.60 3.01 -1.26 -3.51 117.46 114.77 1j1a n PHE 23 Ca 0.30 -0.60 -0.42 0.00 1.01 0.00 0.00 57.45 57.73 1j1a n PHE 23 Cb 1.13 -0.09 -0.03 0.00 -0.01 0.00 0.00 39.48 40.48 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 -1.62 3.05 0.00 1.38 5.04 -0.76 -3.17 117.35 121.27 1j1a s TYR 24 Ca 0.15 0.71 0.00 0.00 -2.44 0.00 0.00 57.07 55.49 1j1a s TYR 24 Cb 0.13 -3.91 0.00 0.00 0.35 0.00 0.00 41.96 38.53 1j1a s TYR 24 CO 0.01 -3.27 0.00 0.41 -1.34 0.00 0.00 175.55 171.36 1j1a n GLY 25 N 3.42 3.12 0.03 8.97 0.00 -0.18 -2.44 105.19 118.10 1j1a n GLY 25 Ca 0.12 -0.23 0.03 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.98 0.00 -2.64 0.00 8.25 -1.24 -2.56 115.22 116.04 1j1a n HIS 27 Ca 0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 1j1a n HIS 27 Cb 0.10 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.18 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 2.67 -3.28 3.64 0.00 0.00 -1.23 -3.97 105.19 103.01 1j1a n GLY 29 Ca 0.05 -2.12 -0.51 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.04 0.11 -4.67 1.61 0.31 -1.26 -4.69 118.33 109.71 1j1a n VAL 30 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1j1a n VAL 30 Cb 0.00 -1.19 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 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 3.24 1.53 0.00 2.92 0.00 -1.26 -5.00 105.19 106.62 1j1a n GLY 31 Ca 0.20 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 3.88 3.17 -0.02 0.00 -1.26 -4.69 105.19 106.27 1j1a n GLY 32 Ca 0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.91 0.92 0.83 1.61 1.70 -1.06 -4.96 118.95 115.08 1j1a s ARG 33 Ca 0.00 -1.35 0.00 0.00 -0.47 0.00 0.00 55.73 53.91 1j1a s ARG 33 Cb 0.00 0.26 0.00 0.00 -0.57 0.00 0.00 34.95 34.64 1j1a s ARG 33 CO 0.00 -0.27 0.00 0.41 -1.08 0.00 0.00 175.30 174.36 1j1a n GLY 34 N -0.08 -2.05 3.73 3.88 0.00 -1.26 -4.69 105.19 104.71 1j1a n GLY 34 Ca -0.07 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.12 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 -3.63 7.46 0.42 1.61 0.01 -0.75 -4.28 113.70 114.53 1j1a s SER 35 Ca 0.00 1.74 -0.26 0.00 1.31 0.00 0.00 55.95 58.74 1j1a s SER 35 Cb 0.00 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.56 1j1a s SER 35 CO 0.00 -0.09 1.42 -2.16 0.41 0.00 0.00 173.24 172.82 1j1a s PRO 36 N 0.14 3.85 0.19 12.44 0.04 -1.26 -4.76 135.00 145.64 1j1a s PRO 36 Ca 0.47 2.41 -0.01 0.00 0.04 0.00 0.00 61.00 63.90 1j1a s PRO 36 Cb -0.23 -2.76 0.10 0.00 0.04 0.00 0.00 34.50 31.65 1j1a s PRO 36 CO 0.29 -0.68 1.47 0.87 0.04 0.00 0.00 177.00 178.99 1j1a h LYS 37 N 2.58 0.44 0.00 4.56 1.79 -1.94 -3.48 116.57 120.51 1j1a h LYS 37 Ca -0.51 -0.32 0.00 0.00 -2.18 0.00 0.00 60.65 57.64 1j1a h LYS 37 Cb 1.25 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 1j1a h LYS 37 CO 0.62 0.95 0.00 -0.40 -1.08 0.00 0.00 179.45 179.54 1j1a n ASP 38 N -3.88 0.00 0.01 0.86 5.75 -1.26 -5.01 116.55 113.02 1j1a n ASP 38 Ca -0.04 -0.81 -0.10 0.00 -0.01 0.00 0.00 54.79 53.83 1j1a n ASP 38 Cb 0.66 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.71 1j1a n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1j1a h ALA 39 N 2.00 0.01 -0.70 2.12 0.00 -1.94 0.04 119.26 120.78 1j1a h ALA 39 Ca 0.00 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.05 1j1a h ALA 39 Cb 0.00 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.85 1j1a h ALA 39 CO 0.00 -0.53 0.31 1.15 0.00 0.00 0.00 179.25 180.18 1j1a h THR 40 N -0.07 0.78 0.00 0.00 2.02 -1.91 0.18 112.91 113.90 1j1a h THR 40 Ca 0.05 -0.18 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 1j1a h THR 40 Cb 0.15 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1j1a h THR 40 CO -0.12 0.09 -0.29 -0.78 0.37 0.00 0.00 175.52 174.79 1j1a h ASP 41 N 0.52 0.00 0.79 4.18 3.58 -1.78 -1.71 116.42 122.00 1j1a h ASP 41 Ca 0.36 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.69 1j1a h ASP 41 Cb 0.44 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 1j1a h ASP 41 CO -0.31 0.29 -0.55 -0.09 -2.88 0.00 0.00 179.24 175.69 1j1a h ARG 42 N 0.00 0.00 -0.67 0.28 2.43 0.13 -2.45 114.38 114.09 1j1a h ARG 42 Ca -0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1j1a h ARG 42 Cb 0.54 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 1j1a h ARG 42 CO 0.04 0.55 0.25 0.00 -1.51 0.00 0.00 179.97 179.30 1j1a h VAL 45 N 0.46 0.98 -0.92 0.00 2.07 -1.20 0.28 116.25 117.92 1j1a h VAL 45 Ca -0.02 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1j1a h VAL 45 Cb 1.24 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 1j1a h VAL 45 CO 0.13 0.10 0.53 0.74 0.02 0.00 0.00 177.57 179.09 1j1a h THR 46 N 0.55 1.26 -0.39 2.57 2.02 -1.31 -2.41 112.91 115.20 1j1a h THR 46 Ca 0.23 -0.61 -0.06 0.00 0.77 0.00 0.00 66.41 66.73 1j1a h THR 46 Cb 0.11 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.49 1j1a h THR 46 CO -0.14 0.28 -0.01 -0.74 0.37 0.00 0.00 175.52 175.28 1j1a h HIS 47 N 1.28 0.75 -0.78 3.16 2.76 -0.71 -1.48 115.15 120.14 1j1a h HIS 47 Ca 0.33 -0.13 0.06 0.00 -2.20 0.00 0.00 60.37 58.43 1j1a h HIS 47 Cb -0.01 -0.19 -0.06 0.00 1.55 0.00 0.00 27.41 28.70 1j1a h HIS 47 CO 0.01 0.78 0.46 -0.44 -1.30 0.00 0.00 177.93 177.44 1j1a h ASP 48 N 0.51 0.71 -0.12 3.26 5.19 -0.70 0.81 116.42 126.08 1j1a h ASP 48 Ca 0.11 0.02 -0.14 0.00 -0.62 0.00 0.00 57.03 56.41 1j1a h ASP 48 Cb 0.49 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 1j1a h ASP 48 CO 0.02 0.45 -0.38 0.00 -3.12 0.00 0.00 179.24 176.21 1j1a h TYR 51 N 1.11 0.34 -0.07 0.00 -1.99 -0.52 -2.61 116.97 113.22 1j1a h TYR 51 Ca 0.29 -0.15 -0.00 0.00 2.00 0.00 0.00 58.73 60.86 1j1a h TYR 51 Cb -0.07 -0.05 -0.00 0.00 2.00 0.00 0.00 36.73 38.60 1j1a h TYR 51 CO 0.00 0.89 0.03 0.87 -0.00 0.00 0.00 178.16 179.95 1j1a h LYS 52 N 0.16 0.11 -0.73 4.88 6.56 -0.52 -1.24 116.57 125.79 1j1a h LYS 52 Ca -0.03 -0.02 0.14 0.00 -1.06 0.00 0.00 60.65 59.68 1j1a h LYS 52 Cb 1.30 -0.02 -0.09 0.00 -0.57 0.00 0.00 32.23 32.85 1j1a h LYS 52 CO 0.11 0.23 0.28 0.00 -2.06 0.00 0.00 179.45 178.01 1j1a h ARG 53 N -0.03 0.41 -0.19 3.15 3.08 -1.15 0.45 114.38 120.10 1j1a h ARG 53 Ca 0.02 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1j1a h ARG 53 Cb 0.16 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1j1a h ARG 53 CO -0.00 0.27 0.09 -0.07 -1.07 0.00 0.00 179.97 179.19 1j1a h LEU 54 N 0.42 0.25 -0.15 3.04 4.07 -1.14 -2.97 115.31 118.83 1j1a h LEU 54 Ca 0.40 -0.13 -0.01 0.00 0.08 0.00 0.00 57.88 58.22 1j1a h LEU 54 Cb 0.60 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 1j1a h LEU 54 CO -0.40 0.31 0.07 -0.33 -1.08 0.00 0.00 178.44 177.01 1j1a h GLU 55 N 0.18 0.23 0.00 1.13 5.08 -0.39 0.26 114.58 121.07 1j1a h GLU 55 Ca 0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1j1a h GLU 55 Cb 0.13 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1j1a h GLU 55 CO -0.01 0.28 0.07 0.87 -1.00 0.00 0.00 179.01 179.22 1j1a h LYS 56 N 0.11 0.00 -0.03 2.33 1.57 -0.92 0.50 116.57 120.14 1j1a h LYS 56 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1j1a h LYS 56 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1j1a h LYS 56 CO -0.01 0.00 -0.09 -2.13 -0.57 0.00 0.00 179.45 176.66 1j1a n ARG 57 N -2.40 1.94 -0.59 3.15 0.63 -0.83 -4.96 116.66 113.60 1j1a n ARG 57 Ca -0.02 -1.65 0.00 0.00 -0.92 0.00 0.00 57.85 55.26 1j1a n ARG 57 Cb 0.11 -1.43 0.00 0.00 0.45 0.00 0.00 32.46 31.59 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 1.27 0.72 3.84 5.14 0.00 0.17 -5.06 105.19 111.28 1j1a n GLY 58 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.99 1.62 0.00 0.00 0.00 -1.26 -3.93 107.32 101.76 1j1a s GLY 60 Ca 0.48 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.85 1j1a s GLY 60 CO 0.19 0.07 0.00 -1.30 0.00 0.00 0.00 173.10 172.06 1j1a n THR 61 N -3.25 0.00 0.06 0.90 -2.24 -1.26 -4.75 114.28 103.75 1j1a n THR 61 Ca 0.07 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.89 1j1a n THR 61 Cb 0.58 -0.16 0.43 0.00 -2.10 0.00 0.00 70.33 69.08 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 0.40 -0.43 -0.78 1.57 -1.96 -3.19 116.57 112.17 1j1a h LYS 62 Ca 0.00 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 1j1a h LYS 62 Cb 0.00 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.18 1j1a h LYS 62 CO 0.00 0.34 0.06 1.19 -0.57 0.00 0.00 179.45 180.46 1j1a n PHE 63 N -4.42 1.48 -3.89 -1.35 3.01 -1.26 -1.20 117.46 109.83 1j1a n PHE 63 Ca 0.01 -1.06 -0.35 0.00 1.01 0.00 0.00 57.45 57.06 1j1a n PHE 63 Cb 0.13 -0.46 -0.14 0.00 -0.01 0.00 0.00 39.48 39.00 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 -2.94 3.70 0.76 4.37 2.96 -1.21 -4.95 118.68 121.37 1j1a s LEU 64 Ca 0.47 -1.06 -0.13 0.00 -0.22 0.00 0.00 54.13 53.20 1j1a s LEU 64 Cb 0.39 -1.73 0.05 0.00 0.50 0.00 0.00 46.19 45.40 1j1a s LEU 64 CO 0.09 -0.21 1.13 -0.94 -1.32 0.00 0.00 176.35 175.10 1j1a s SER 65 N 1.32 4.29 0.13 3.68 1.04 -1.26 -1.33 113.70 121.56 1j1a s SER 65 Ca -0.02 2.06 -0.16 0.00 0.48 0.00 0.00 55.95 58.31 1j1a s SER 65 Cb -0.18 -2.55 0.03 0.00 0.10 0.00 0.00 66.02 63.41 1j1a s SER 65 CO -0.01 -2.19 0.39 -0.72 0.98 0.00 0.00 173.24 171.69 1j1a s TYR 66 N -2.50 -0.16 0.14 5.02 -0.85 -1.26 -4.69 117.35 113.06 1j1a s TYR 66 Ca 0.67 -0.17 0.08 0.00 -0.52 0.00 0.00 57.07 57.13 1j1a s TYR 66 Cb -0.22 0.24 -0.04 0.00 0.38 0.00 0.00 41.96 42.32 1j1a s TYR 66 CO 0.50 -0.71 -0.12 0.15 -1.52 0.00 0.00 175.55 173.85 1j1a s LYS 67 N -3.82 2.01 0.02 -3.49 1.02 -1.26 -4.79 119.74 109.43 1j1a s LYS 67 Ca 0.04 -1.17 -0.27 0.00 0.02 0.00 0.00 55.97 54.58 1j1a s LYS 67 Cb 0.02 -2.19 0.07 0.00 -0.52 0.00 0.00 37.83 35.20 1j1a s LYS 67 CO -0.11 0.47 0.63 -0.59 -0.92 0.00 0.00 175.35 174.83 1j1a s PHE 68 N -1.42 -0.59 0.30 3.18 -0.12 -1.26 -1.94 117.98 116.13 1j1a s PHE 68 Ca 0.22 0.81 0.11 0.00 -0.05 0.00 0.00 56.93 58.02 1j1a s PHE 68 Cb -0.10 0.43 -0.05 0.00 -0.63 0.00 0.00 43.02 42.67 1j1a s PHE 68 CO 0.14 -0.67 -0.14 -1.54 -0.05 0.00 0.00 175.22 172.95 1j1a s SER 69 N -1.71 3.76 0.01 1.98 1.04 0.16 -4.89 113.70 114.06 1j1a s SER 69 Ca -0.07 -1.03 -0.09 0.00 0.48 0.00 0.00 55.95 55.24 1j1a s SER 69 Cb -0.00 -0.38 0.00 0.00 0.10 0.00 0.00 66.02 65.74 1j1a s SER 69 CO 0.02 -0.04 0.18 0.54 0.98 0.00 0.00 173.24 174.92 1j1a s ASN 70 N -3.56 0.01 -0.73 7.02 4.22 -1.26 -0.61 114.94 120.02 1j1a s ASN 70 Ca 0.31 -0.23 0.04 0.00 -2.14 0.00 0.00 52.86 50.85 1j1a s ASN 70 Cb -0.03 0.24 0.17 0.00 1.28 0.00 0.00 41.25 42.92 1j1a s ASN 70 CO 0.16 -0.44 0.52 -0.44 -2.04 0.00 0.00 177.10 174.86 1j1a s SER 71 N -1.62 4.95 1.06 3.54 0.01 -0.47 -4.99 113.70 116.18 1j1a s SER 71 Ca -0.11 -3.87 0.00 0.00 1.31 0.00 0.00 55.95 53.28 1j1a s SER 71 Cb -0.05 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 64.52 1j1a s SER 71 CO 0.00 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.17 1j1a n GLY 72 N 1.97 1.96 0.03 3.44 0.00 -1.26 -2.97 105.19 108.36 1j1a n GLY 72 Ca 0.20 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 9.63 0.63 -4.69 1.61 2.88 -1.26 -4.87 113.62 117.55 1j1a n SER 73 Ca 0.00 -0.26 -0.42 0.00 -1.33 0.00 0.00 58.87 56.86 1j1a n SER 73 Cb 0.00 0.69 -0.03 0.00 -0.75 0.00 0.00 64.21 64.12 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 -3.15 4.45 -0.19 -1.46 3.00 -1.16 -4.56 118.95 115.89 1j1a s ARG 74 Ca 0.05 1.38 -0.05 0.00 0.00 0.00 0.00 55.73 57.11 1j1a s ARG 74 Cb 0.15 -3.52 -0.03 0.00 0.00 0.00 0.00 34.95 31.55 1j1a s ARG 74 CO 0.79 -0.25 0.01 0.42 0.00 0.00 0.00 175.30 176.27 1j1a s ILE 75 N 1.76 4.11 -0.22 1.52 1.09 -1.26 -1.37 121.20 126.82 1j1a s ILE 75 Ca 0.49 -0.26 0.02 0.00 -1.10 0.00 0.00 60.65 59.79 1j1a s ILE 75 Cb -0.19 -2.85 0.04 0.00 -1.06 0.00 0.00 42.46 38.40 1j1a s ILE 75 CO 0.20 0.44 -0.15 -0.89 -0.10 0.00 0.00 174.94 174.45 1j1a s THR 76 N 0.77 2.17 -0.01 2.92 2.01 0.22 -5.01 115.64 118.70 1j1a s THR 76 Ca 0.01 -1.29 -0.30 0.00 0.31 0.00 0.00 61.69 60.41 1j1a s THR 76 Cb -0.14 -2.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.21 1j1a s THR 76 CO 0.02 0.23 1.30 0.00 -0.69 0.00 0.00 174.62 175.49 1j1a s ALA 78 N 2.11 1.16 -0.01 0.00 0.00 -0.82 -4.94 121.76 119.27 1j1a s ALA 78 Ca 0.60 0.14 -0.30 0.00 0.00 0.00 0.00 51.96 52.41 1j1a s ALA 78 Cb -0.29 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 1j1a s ALA 78 CO 0.25 -2.73 1.25 0.15 0.00 0.00 0.00 175.76 174.69 1j1a s LYS 79 N -4.75 4.35 0.16 0.00 3.01 -1.26 -4.90 119.74 116.35 1j1a s LYS 79 Ca 0.65 1.78 -0.11 0.00 -1.01 0.00 0.00 55.97 57.28 1j1a s LYS 79 Cb -0.21 -3.50 0.04 0.00 -1.01 0.00 0.00 37.83 33.15 1j1a s LYS 79 CO 0.59 -0.43 0.56 0.00 0.51 0.00 0.00 175.35 176.57 1j1a n GLN 80 N 4.91 0.49 -1.83 1.68 10.64 -1.26 -5.04 117.38 126.97 1j1a n GLN 80 Ca 0.11 -1.04 -0.41 0.00 -1.83 0.00 0.00 57.00 53.83 1j1a n GLN 80 Cb 0.45 1.36 -0.00 0.00 -0.86 0.00 0.00 30.24 31.20 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 -2.36 6.33 0.12 2.61 2.15 -1.26 -4.53 116.67 119.73 1j1a s ASP 81 Ca 0.12 3.01 -0.17 0.00 0.43 0.00 0.00 52.55 55.94 1j1a s ASP 81 Cb -0.02 -2.67 0.02 0.00 -0.30 0.00 0.00 42.92 39.96 1j1a s ASP 81 CO 0.05 -0.88 1.02 -1.54 -0.17 0.00 0.00 175.17 173.65 1j1a n SER 82 N 0.42 -0.61 0.06 -0.34 3.41 -1.26 -0.05 113.62 115.26 1j1a n SER 82 Ca 0.01 1.16 -0.11 0.00 -0.26 0.00 0.00 58.87 59.67 1j1a n SER 82 Cb 0.40 -0.19 -0.05 0.00 -0.26 0.00 0.00 64.21 64.11 1j1a n SER 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j1a h ARG 84 N -0.30 0.15 0.08 0.00 3.08 -1.28 0.14 114.38 116.25 1j1a h ARG 84 Ca 0.05 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1j1a h ARG 84 Cb 0.37 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1j1a h ARG 84 CO -0.17 0.23 -0.04 1.03 -1.07 0.00 0.00 179.97 179.96 1j1a h SER 85 N 0.15 -0.09 -0.28 7.04 0.87 0.46 -1.62 113.55 120.07 1j1a h SER 85 Ca 0.03 -0.38 -0.01 0.00 -1.23 0.00 0.00 61.79 60.20 1j1a h SER 85 Cb 0.23 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1j1a h SER 85 CO 0.01 0.35 0.13 -0.61 -0.53 0.00 0.00 176.83 176.19 1j1a h GLN 86 N -0.57 0.41 -0.08 2.24 4.15 0.23 -2.14 115.11 119.35 1j1a h GLN 86 Ca -0.01 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.38 1j1a h GLN 86 Cb 0.47 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.06 1j1a h GLN 86 CO 0.02 0.40 -0.09 1.25 -1.93 0.00 0.00 178.83 178.47 1j1a h LEU 87 N 0.32 -0.29 -0.77 -2.39 5.85 -0.78 0.85 115.31 118.10 1j1a h LEU 87 Ca 0.10 0.06 0.14 0.00 0.84 0.00 0.00 57.88 59.01 1j1a h LEU 87 Cb 0.12 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.20 1j1a h LEU 87 CO -0.01 -0.13 0.34 0.00 -0.34 0.00 0.00 178.44 178.29 1j1a h GLU 89 N 0.50 0.93 0.23 0.00 4.39 -0.69 0.76 114.58 120.68 1j1a h GLU 89 Ca 0.42 -0.42 0.01 0.00 0.34 0.00 0.00 59.36 59.71 1j1a h GLU 89 Cb 0.61 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 1j1a h GLU 89 CO -0.38 1.08 -0.39 0.00 -1.16 0.00 0.00 179.01 178.15 1j1a h ASP 91 N -0.69 0.83 -0.56 0.00 5.19 -1.14 -2.12 116.42 117.92 1j1a h ASP 91 Ca 0.00 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 1j1a h ASP 91 Cb 0.68 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 39.96 1j1a h ASP 91 CO -0.16 0.58 0.26 0.50 -3.12 0.00 0.00 179.24 177.30 1j1a h LYS 92 N 0.98 0.86 -0.20 3.56 3.64 -0.51 0.11 116.57 125.00 1j1a h LYS 92 Ca 0.30 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1j1a h LYS 92 Cb -0.04 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 1j1a h LYS 92 CO -0.09 0.69 0.03 0.00 -2.27 0.00 0.00 179.45 177.81 1j1a h ALA 93 N 1.44 0.26 0.00 5.00 0.00 -0.22 -1.60 119.26 124.13 1j1a h ALA 93 Ca 0.21 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1j1a h ALA 93 Cb 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1j1a h ALA 93 CO -0.02 -0.07 -0.33 0.00 0.00 0.00 0.00 179.25 178.83 1j1a h ALA 94 N 0.84 1.28 0.03 0.00 0.00 -0.82 -0.80 119.26 119.78 1j1a h ALA 94 Ca 0.06 -0.30 -0.27 0.00 0.00 0.00 0.00 54.91 54.41 1j1a h ALA 94 Cb 0.31 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.06 1j1a h ALA 94 CO 0.00 0.41 -1.07 0.00 0.00 0.00 0.00 179.25 178.59 1j1a h ALA 95 N 1.67 0.15 0.00 0.00 0.00 -0.57 -2.15 119.26 118.35 1j1a h ALA 95 Ca -0.00 -0.72 -0.16 0.00 0.00 0.00 0.00 54.91 54.03 1j1a h ALA 95 Cb 0.65 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1j1a h ALA 95 CO 0.04 0.72 -0.81 1.79 0.00 0.00 0.00 179.25 180.99 1j1a h THR 96 N 0.34 1.18 -0.46 0.00 1.35 -1.21 -2.66 112.91 111.45 1j1a h THR 96 Ca -0.13 -2.70 -0.12 0.00 -0.55 0.00 0.00 66.41 62.91 1j1a h THR 96 Cb 1.73 2.57 -0.01 0.00 -1.73 0.00 0.00 68.15 70.70 1j1a h THR 96 CO 0.20 0.67 -0.17 0.00 -0.25 0.00 0.00 175.52 175.97 1j1a h PHE 98 N 0.77 0.28 -0.23 0.00 0.04 -1.40 -2.00 116.94 114.40 1j1a h PHE 98 Ca 0.11 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.88 1j1a h PHE 98 Cb 0.74 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.78 1j1a h PHE 98 CO 0.05 0.26 0.11 0.00 -0.60 0.00 0.00 178.31 178.13 1j1a h ALA 99 N 1.00 0.27 0.00 2.45 0.00 -1.26 -0.25 119.26 121.47 1j1a h ALA 99 Ca 0.07 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1j1a h ALA 99 Cb 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1j1a h ALA 99 CO -0.01 -0.29 0.00 2.89 0.00 0.00 0.00 179.25 181.84 1j1a n ARG 100 N -4.99 0.03 -0.11 0.00 1.85 0.09 -2.22 116.66 111.31 1j1a n ARG 100 Ca -0.02 0.27 0.05 0.00 -1.00 0.00 0.00 57.85 57.14 1j1a n ARG 100 Cb 0.06 -1.56 0.10 0.00 -1.05 0.00 0.00 32.46 30.01 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 -1.62 2.54 0.32 2.89 3.02 -0.71 -4.66 115.26 117.04 1j1a n ASN 101 Ca 0.03 -2.38 0.20 0.00 -0.03 0.00 0.00 54.58 52.40 1j1a n ASN 101 Cb 0.18 -0.22 1.05 0.00 -0.61 0.00 0.00 39.78 40.18 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 0.70 0.00 0.00 3.52 3.64 -0.60 -2.17 116.57 121.66 1j1a h LYS 102 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1j1a h LYS 102 Cb 0.79 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1j1a h LYS 102 CO 0.03 0.01 -0.17 1.79 -2.27 0.00 0.00 179.45 178.84 1j1a h THR 103 N 0.00 0.39 -0.07 1.00 1.35 -1.83 -3.10 112.91 110.65 1j1a h THR 103 Ca -0.00 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 1j1a h THR 103 Cb 0.12 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1j1a h THR 103 CO 0.00 0.17 0.00 0.35 -0.25 0.00 0.00 175.52 175.79 1j1a n THR 104 N -3.28 0.12 -1.53 6.82 -2.24 -0.83 -4.94 114.28 108.40 1j1a n THR 104 Ca 0.01 -0.56 -0.38 0.00 -2.27 0.00 0.00 64.05 60.84 1j1a n THR 104 Cb 0.43 1.19 -0.07 0.00 -2.10 0.00 0.00 70.33 69.78 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 0.77 1.14 -3.14 4.78 9.36 -1.11 -4.87 117.16 124.10 1j1a n TYR 105 Ca 0.09 0.21 -0.42 0.00 3.32 0.00 0.00 57.90 61.10 1j1a n TYR 105 Cb 0.36 -2.55 -0.07 0.00 -0.63 0.00 0.00 39.34 36.45 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 10.89 6.37 0.64 2.98 3.84 -1.26 -4.91 114.94 133.48 1j1a s ASN 106 Ca 1.12 -0.05 0.27 0.00 0.21 0.00 0.00 52.86 54.41 1j1a s ASN 106 Cb -0.58 -2.31 1.45 0.00 -0.55 0.00 0.00 41.25 39.26 1j1a s ASN 106 CO 0.35 -0.63 1.84 0.50 -2.79 0.00 0.00 177.10 176.37 1j1a h LYS 107 N 8.60 0.00 0.00 0.43 3.64 -2.01 0.23 116.57 127.45 1j1a h LYS 107 Ca -0.26 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.11 1j1a h LYS 107 Cb 1.11 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1j1a h LYS 107 CO 0.84 0.00 -0.03 -0.22 -2.27 0.00 0.00 179.45 177.77 1j1a h LYS 108 N 0.00 0.00 0.00 1.90 3.64 -1.99 -2.58 116.57 117.55 1j1a h LYS 108 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1j1a h LYS 108 Cb 0.97 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1j1a h LYS 108 CO -0.00 0.03 -1.03 0.66 -2.27 0.00 0.00 179.45 176.84 1j1a n TYR 109 N -3.74 0.00 -0.25 1.91 0.53 0.79 -4.64 117.16 111.77 1j1a n TYR 109 Ca -0.03 0.00 0.04 0.00 -1.02 0.00 0.00 57.90 56.89 1j1a n TYR 109 Cb 0.12 -0.08 0.13 0.00 -1.03 0.00 0.00 39.34 38.48 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 0.07 -1.19 -0.72 4.15 -1.45 -0.28 115.11 115.69 1j1a h GLN 110 Ca 0.00 -0.00 -0.60 0.00 0.77 0.00 0.00 58.65 58.81 1j1a h GLN 110 Cb 0.50 -0.02 -0.39 0.00 0.21 0.00 0.00 27.48 27.78 1j1a h GLN 110 CO 0.00 0.05 -0.39 0.66 -1.93 0.00 0.00 178.83 177.21 1j1a n TYR 111 N -5.38 3.08 -2.19 3.99 4.02 -1.26 -2.50 117.16 116.92 1j1a n TYR 111 Ca 0.12 -2.66 -0.43 0.00 -0.01 0.00 0.00 57.90 54.93 1j1a n TYR 111 Cb 0.44 -0.46 -0.02 0.00 -0.02 0.00 0.00 39.34 39.27 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 -3.65 2.18 0.18 -0.72 5.04 -0.79 -4.97 117.35 114.62 1j1a s TYR 112 Ca 0.52 0.64 -0.31 0.00 -2.44 0.00 0.00 57.07 55.47 1j1a s TYR 112 Cb 0.42 -4.10 -0.10 0.00 0.35 0.00 0.00 41.96 38.54 1j1a s TYR 112 CO -0.10 -2.53 1.51 0.45 -1.34 0.00 0.00 175.55 173.54 1j1a s SER 113 N 4.43 6.63 0.15 4.32 0.15 -1.26 -4.70 113.70 123.41 1j1a s SER 113 Ca 0.69 2.59 0.14 0.00 0.70 0.00 0.00 55.95 60.07 1j1a s SER 113 Cb -0.20 -2.60 0.66 0.00 -1.71 0.00 0.00 66.02 62.16 1j1a s SER 113 CO 0.30 -0.77 1.42 0.59 1.20 0.00 0.00 173.24 175.98 1j1a n ASN 114 N 3.51 0.30 0.00 5.45 4.13 -1.26 -1.33 115.26 126.06 1j1a n ASN 114 Ca 0.12 0.61 0.11 0.00 1.68 0.00 0.00 54.58 57.10 1j1a n ASN 114 Cb 0.39 -0.66 0.50 0.00 -1.54 0.00 0.00 39.78 38.47 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 -1.87 0.11 -0.13 3.52 4.01 -1.26 -2.40 118.16 120.14 1j1a n LYS 115 Ca 0.01 0.11 0.07 0.00 -0.51 0.00 0.00 58.31 57.98 1j1a n LYS 115 Cb 0.08 -1.50 0.14 0.00 -0.51 0.00 0.00 35.03 33.24 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 -1.43 0.34 -3.28 2.13 8.25 -0.44 -4.96 115.22 115.84 1j1a n HIS 116 Ca 0.07 -0.29 -0.38 0.00 -0.26 0.00 0.00 57.72 56.86 1j1a n HIS 116 Cb 0.23 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.27 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 1.02 1.81 0.00 0.00 1.70 -1.26 -4.65 118.95 117.57 1j1a s ARG 118 Ca 0.26 -1.60 0.00 0.00 -0.47 0.00 0.00 55.73 53.92 1j1a s ARG 118 Cb -0.15 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 34.68 1j1a s ARG 118 CO 0.10 -0.75 0.00 0.41 -1.08 0.00 0.00 175.30 173.98 1j1a n GLY 119 N -0.50 -2.22 3.70 3.88 0.00 -1.26 -1.82 105.19 106.98 1j1a n GLY 119 Ca -0.00 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 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 -1.68 6.69 -0.30 1.61 1.04 -1.26 -4.27 113.70 115.53 1j1a s SER 120 Ca 0.00 2.43 -0.19 0.00 0.48 0.00 0.00 55.95 58.67 1j1a s SER 120 Cb 0.00 -2.58 -0.01 0.00 0.10 0.00 0.00 66.02 63.53 1j1a s SER 120 CO 0.00 -0.78 0.59 -0.89 0.98 0.00 0.00 173.24 173.13 1j1a s THR 121 N 1.75 4.98 0.48 2.02 2.01 -1.26 -3.39 115.64 122.24 1j1a s THR 121 Ca 0.69 0.79 -0.23 0.00 0.31 0.00 0.00 61.69 63.24 1j1a s THR 121 Cb -0.39 -3.95 -0.08 0.00 0.01 0.00 0.00 72.50 68.09 1j1a s THR 121 CO 0.31 -0.10 1.17 -0.81 -0.69 0.00 0.00 174.62 174.50 1j1a n PRO 122 N 5.78 1.55 -3.60 4.92 -0.04 -1.26 -5.00 135.00 137.35 1j1a n PRO 122 Ca -0.02 0.56 -0.33 0.00 -0.04 0.00 0.00 63.50 63.67 1j1a n PRO 122 Cb 0.49 -2.30 -0.05 0.00 -0.04 0.00 0.00 33.50 31.60 1j1a n PRO 122 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1j1a s ARG 123 N -2.41 3.71 0.00 0.54 0.52 -1.26 -5.13 118.95 114.92 1j1a s ARG 123 Ca 0.66 0.08 0.17 0.00 -0.52 0.00 0.00 55.73 56.12 1j1a s ARG 123 Cb -0.48 -2.91 0.99 0.00 0.52 0.00 0.00 34.95 33.07 1j1a s ARG 123 CO 0.54 0.50 1.39 0.00 0.02 0.00 0.00 175.30 177.76