#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j7y s HIS 2 N 0.00 3.16 0.10 3.17 -3.43 -1.26 -4.55 115.29 112.48 1j7y s HIS 2 Ca 0.00 -0.15 0.10 0.00 -0.80 0.00 0.00 55.06 54.22 1j7y s HIS 2 Cb 0.00 -2.30 -0.04 0.00 -1.43 0.00 0.00 32.58 28.81 1j7y s HIS 2 CO 0.00 -0.24 -0.26 -0.51 -2.00 0.00 0.00 174.74 171.73 1j7y s LEU 3 N 1.64 2.33 0.90 5.38 1.43 -1.26 -5.12 118.68 123.98 1j7y s LEU 3 Ca 0.07 -0.67 -0.12 0.00 -1.03 0.00 0.00 54.13 52.37 1j7y s LEU 3 Cb -0.15 -1.28 0.13 0.00 0.03 0.00 0.00 46.19 44.91 1j7y s LEU 3 CO 0.07 0.20 1.09 0.42 0.23 0.00 0.00 176.35 178.37 1j7y s THR 4 N -0.99 2.62 0.25 5.49 -4.23 -1.26 -4.79 115.64 112.73 1j7y s THR 4 Ca 0.14 0.20 -0.06 0.00 -1.18 0.00 0.00 61.69 60.79 1j7y s THR 4 Cb -0.10 -2.72 0.22 0.00 1.34 0.00 0.00 72.50 71.24 1j7y s THR 4 CO 0.05 -0.26 1.88 -0.65 -0.54 0.00 0.00 174.62 175.10 1j7y h PRO 5 N -1.53 1.21 -0.47 3.99 0.11 -2.00 -1.22 132.00 132.09 1j7y h PRO 5 Ca -0.50 -0.13 -0.02 0.00 0.11 0.00 0.00 66.00 65.46 1j7y h PRO 5 Cb 1.29 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1j7y h PRO 5 CO 0.56 0.87 0.21 0.93 -0.21 0.00 0.00 178.00 180.35 1j7y h GLU 6 N 1.22 0.70 -0.12 1.05 3.07 -1.99 -1.17 114.58 117.34 1j7y h GLU 6 Ca 0.31 -0.12 -0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1j7y h GLU 6 Cb 0.00 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 1j7y h GLU 6 CO -0.05 0.61 0.07 0.93 -1.40 0.00 0.00 179.01 179.17 1j7y h GLU 7 N 0.62 0.17 -0.45 2.33 5.08 -1.70 0.14 114.58 120.77 1j7y h GLU 7 Ca 0.16 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1j7y h GLU 7 Cb 0.16 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1j7y h GLU 7 CO -0.02 0.18 0.29 -0.22 -1.00 0.00 0.00 179.01 178.24 1j7y h LYS 8 N 0.11 0.57 -0.58 2.33 3.64 -1.16 0.10 116.57 121.58 1j7y h LYS 8 Ca 0.04 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1j7y h LYS 8 Cb 0.06 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 1j7y h LYS 8 CO -0.01 0.38 0.19 1.03 -2.27 0.00 0.00 179.45 178.77 1j7y h SER 9 N 0.59 0.80 -0.51 4.20 0.87 -0.93 -0.87 113.55 117.69 1j7y h SER 9 Ca 0.17 -0.12 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 1j7y h SER 9 Cb -0.04 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.69 1j7y h SER 9 CO -0.05 0.75 0.07 0.00 -0.53 0.00 0.00 176.83 177.07 1j7y h ALA 10 N 1.36 0.68 -0.08 6.23 0.00 0.11 -1.08 119.26 126.48 1j7y h ALA 10 Ca 0.19 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1j7y h ALA 10 Cb 0.24 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1j7y h ALA 10 CO -0.01 0.43 0.01 0.28 0.00 0.00 0.00 179.25 179.97 1j7y h VAL 11 N 0.74 1.21 -0.66 0.00 2.07 -0.55 -2.76 116.25 116.30 1j7y h VAL 11 Ca 0.15 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 1j7y h VAL 11 Cb 0.42 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 1j7y h VAL 11 CO 0.01 0.18 0.22 0.00 0.02 0.00 0.00 177.57 178.01 1j7y h THR 12 N -0.10 1.25 -0.21 2.57 1.03 -1.09 -1.46 112.91 114.90 1j7y h THR 12 Ca 0.03 -0.83 -0.00 0.00 -0.01 0.00 0.00 66.41 65.60 1j7y h THR 12 Cb 0.28 0.55 -0.01 0.00 -1.07 0.00 0.00 68.15 67.89 1j7y h THR 12 CO 0.00 0.32 0.13 0.00 -0.01 0.00 0.00 175.52 175.96 1j7y h ALA 13 N 1.09 0.27 -0.49 0.00 0.00 -1.22 -2.24 119.26 116.68 1j7y h ALA 13 Ca 0.21 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1j7y h ALA 13 Cb 0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1j7y h ALA 13 CO -0.01 -0.22 -0.11 1.25 0.00 0.00 0.00 179.25 180.16 1j7y h LEU 14 N 0.26 0.90 -1.73 0.00 5.85 -1.40 -2.94 115.31 116.24 1j7y h LEU 14 Ca 0.08 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 1j7y h LEU 14 Cb 0.03 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 1j7y h LEU 14 CO -0.01 1.02 -0.17 -0.25 -0.34 0.00 0.00 178.44 178.68 1j7y h TRP 15 N 0.81 0.00 0.00 1.25 2.91 -1.06 -1.02 115.95 118.83 1j7y h TRP 15 Ca 0.13 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.15 1j7y h TRP 15 Cb 0.64 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.29 1j7y h TRP 15 CO 0.04 0.17 -0.00 0.78 -1.03 0.00 0.00 178.44 178.40 1j7y h GLY 16 N 0.83 0.00 -1.13 2.65 0.00 -1.22 -1.15 103.07 103.05 1j7y h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1j7y h GLY 16 CO 0.02 0.00 -0.26 0.28 0.00 0.00 0.00 176.54 176.58 1j7y n LYS 17 N -3.10 1.57 -2.92 4.80 5.02 -0.39 -4.96 118.16 118.19 1j7y n LYS 17 Ca -0.02 -1.25 -0.41 0.00 -2.02 0.00 0.00 58.31 54.61 1j7y n LYS 17 Cb 0.13 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.63 1j7y n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1j7y s VAL 18 N -2.29 4.92 -0.67 -0.18 1.01 -0.44 -4.99 120.40 117.76 1j7y s VAL 18 Ca 0.24 1.61 -0.26 0.00 0.00 0.00 0.00 61.98 63.56 1j7y s VAL 18 Cb 0.19 -4.12 0.04 0.00 0.00 0.00 0.00 36.38 32.49 1j7y s VAL 18 CO 0.46 0.08 1.16 0.21 0.00 0.00 0.00 175.10 177.01 1j7y s ASN 19 N 1.08 6.24 0.19 3.32 3.84 -1.26 -4.91 114.94 123.45 1j7y s ASN 19 Ca 0.39 -0.44 -0.11 0.00 0.21 0.00 0.00 52.86 52.91 1j7y s ASN 19 Cb -0.17 -2.52 0.16 0.00 -0.55 0.00 0.00 41.25 38.18 1j7y s ASN 19 CO 0.14 -1.62 1.82 0.58 -2.79 0.00 0.00 177.10 175.24 1j7y h VAL 20 N 6.04 1.04 -0.48 -5.21 2.07 -1.94 0.42 116.25 118.19 1j7y h VAL 20 Ca -0.27 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1j7y h VAL 20 Cb 1.06 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1j7y h VAL 20 CO 1.22 0.13 0.25 0.44 0.02 0.00 0.00 177.57 179.63 1j7y h ASP 21 N 0.70 0.61 -0.05 0.57 3.32 -1.90 0.38 116.42 120.06 1j7y h ASP 21 Ca 0.25 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1j7y h ASP 21 Cb 0.06 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 1j7y h ASP 21 CO -0.12 0.54 -0.01 -0.33 -1.72 0.00 0.00 179.24 177.59 1j7y h GLU 22 N 0.64 0.09 -0.18 3.56 5.08 -1.87 -1.66 114.58 120.23 1j7y h GLU 22 Ca 0.17 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1j7y h GLU 22 Cb 0.07 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1j7y h GLU 22 CO -0.03 0.44 -0.16 0.28 -1.00 0.00 0.00 179.01 178.54 1j7y h VAL 23 N -0.27 1.21 -0.08 3.13 2.07 -0.92 -1.85 116.25 119.55 1j7y h VAL 23 Ca 0.01 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 1j7y h VAL 23 Cb 0.41 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1j7y h VAL 23 CO 0.00 0.29 -0.01 1.23 0.02 0.00 0.00 177.57 179.11 1j7y h GLY 24 N 0.86 0.16 1.23 2.17 0.00 -0.83 0.13 103.07 106.79 1j7y h GLY 24 Ca 0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 1j7y h GLY 24 CO 0.03 0.11 0.34 -1.33 0.00 0.00 0.00 176.54 175.69 1j7y h GLY 25 N -0.16 1.07 0.74 4.60 0.00 -1.12 0.12 103.07 108.32 1j7y h GLY 25 Ca 0.02 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.78 1j7y h GLY 25 CO 0.01 0.49 -0.14 -2.09 0.00 0.00 0.00 176.54 174.80 1j7y h GLU 26 N 0.99 0.35 -0.29 4.80 4.57 -1.04 -0.28 114.58 123.69 1j7y h GLU 26 Ca 0.24 -0.19 -0.14 0.00 -1.18 0.00 0.00 59.36 58.10 1j7y h GLU 26 Cb 0.10 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1j7y h GLU 26 CO -0.03 0.74 -0.36 0.00 -1.18 0.00 0.00 179.01 178.18 1j7y h ALA 27 N 0.61 0.43 -0.39 2.92 0.00 -0.65 -0.68 119.26 121.49 1j7y h ALA 27 Ca 0.02 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 1j7y h ALA 27 Cb 0.67 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1j7y h ALA 27 CO 0.04 0.51 -0.19 -0.92 0.00 0.00 0.00 179.25 178.68 1j7y h TYR 28 N 0.51 0.85 -0.52 0.00 5.03 -1.00 -0.88 116.97 120.95 1j7y h TYR 28 Ca 0.04 -0.18 -0.05 0.00 2.58 0.00 0.00 58.73 61.11 1j7y h TYR 28 Cb 0.95 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 39.00 1j7y h TYR 28 CO 0.07 0.89 0.12 0.78 -1.32 0.00 0.00 178.16 178.70 1j7y h GLY 29 N 0.97 0.90 1.87 1.82 0.00 -0.94 -2.64 103.07 105.05 1j7y h GLY 29 Ca 0.10 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 1j7y h GLY 29 CO 0.05 0.53 -0.20 3.21 0.00 0.00 0.00 176.54 180.13 1j7y h ARG 30 N 0.73 0.15 -0.28 4.80 3.08 -0.87 -1.81 114.38 120.18 1j7y h ARG 30 Ca 0.16 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.20 1j7y h ARG 30 Cb 0.34 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 1j7y h ARG 30 CO 0.00 0.36 0.10 1.25 -1.07 0.00 0.00 179.97 180.61 1j7y h LEU 31 N 0.15 0.11 -1.47 3.04 5.85 -0.81 0.17 115.31 122.34 1j7y h LEU 31 Ca 0.03 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1j7y h LEU 31 Cb 0.45 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1j7y h LEU 31 CO 0.03 0.10 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.94 1j7y h LEU 32 N 0.22 0.00 0.00 2.25 3.38 -1.11 -1.07 115.31 118.98 1j7y h LEU 32 Ca 0.12 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1j7y h LEU 32 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1j7y h LEU 32 CO -0.12 0.22 -0.35 0.58 0.09 0.00 0.00 178.44 178.86 1j7y h VAL 33 N 0.00 1.52 -0.04 1.22 2.07 -0.82 -3.26 116.25 116.95 1j7y h VAL 33 Ca -0.00 -2.28 -0.21 0.00 0.82 0.00 0.00 66.70 65.03 1j7y h VAL 33 Cb 0.57 3.01 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 1j7y h VAL 33 CO 0.03 0.52 -0.85 0.58 0.02 0.00 0.00 177.57 177.86 1j7y h VAL 34 N -1.00 1.39 -2.60 2.57 2.07 -0.70 -3.36 116.25 114.63 1j7y h VAL 34 Ca -0.10 -2.31 -0.60 0.00 0.82 0.00 0.00 66.70 64.52 1j7y h VAL 34 Cb 1.07 2.28 -0.41 0.00 -1.52 0.00 0.00 31.29 32.71 1j7y h VAL 34 CO -0.06 0.69 -0.73 -1.22 0.02 0.00 0.00 177.57 176.27 1j7y n TYR 35 N -3.79 1.95 0.29 1.57 4.01 -0.41 -4.98 117.16 115.79 1j7y n TYR 35 Ca -0.06 -3.96 0.12 0.00 -0.16 0.00 0.00 57.90 53.84 1j7y n TYR 35 Cb 0.78 -0.37 0.54 0.00 -0.31 0.00 0.00 39.34 39.98 1j7y n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1j7y n PRO 36 N 1.85 0.17 0.31 -0.72 -0.04 -1.23 -1.31 135.00 134.04 1j7y n PRO 36 Ca 0.25 0.52 0.20 0.00 -0.04 0.00 0.00 63.50 64.43 1j7y n PRO 36 Cb 0.41 -1.92 0.93 0.00 -0.04 0.00 0.00 33.50 32.89 1j7y n PRO 36 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 1j7y h TRP 37 N 0.00 0.00 0.00 0.54 0.09 -1.92 -1.62 115.95 113.04 1j7y h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1j7y h TRP 37 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.44 1j7y h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1j7y n THR 38 N -3.10 0.97 0.63 0.12 -2.24 -0.43 -2.23 114.28 108.00 1j7y n THR 38 Ca -0.01 0.34 0.07 0.00 -2.27 0.00 0.00 64.05 62.18 1j7y n THR 38 Cb 0.20 -1.25 0.36 0.00 -2.10 0.00 0.00 70.33 67.54 1j7y n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j7y n GLN 39 N -2.06 0.11 0.26 -0.78 6.02 -0.61 -3.19 117.38 117.13 1j7y n GLN 39 Ca 0.02 0.19 0.16 0.00 -0.01 0.00 0.00 57.00 57.35 1j7y n GLN 39 Cb 0.17 -1.50 0.88 0.00 1.02 0.00 0.00 30.24 30.81 1j7y n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1j7y h ARG 40 N 0.00 0.00 -0.02 -1.09 0.11 -1.67 -0.58 114.38 111.13 1j7y h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1j7y h ARG 40 Cb 0.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.28 1j7y h ARG 40 CO 0.00 0.00 -0.04 1.19 0.10 0.00 0.00 179.97 181.22 1j7y n PHE 41 N -3.82 0.00 -2.35 4.08 3.72 -1.19 -4.40 117.46 113.50 1j7y n PHE 41 Ca -0.01 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.27 1j7y n PHE 41 Cb 0.19 -0.01 0.04 0.00 -0.94 0.00 0.00 39.48 38.75 1j7y n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1j7y n PHE 42 N 0.29 1.96 0.23 1.38 3.72 -0.23 -4.87 117.46 119.94 1j7y n PHE 42 Ca 0.17 -2.11 0.12 0.00 -0.05 0.00 0.00 57.45 55.58 1j7y n PHE 42 Cb 0.40 -0.29 0.73 0.00 -0.94 0.00 0.00 39.48 39.38 1j7y n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1j7y h GLU 43 N 2.27 0.00 -0.21 -1.08 4.39 -1.77 -2.18 114.58 116.01 1j7y h GLU 43 Ca 0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1j7y h GLU 43 Cb 1.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 1j7y h GLU 43 CO 0.48 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 177.20 1j7y n SER 44 N -4.29 1.72 -0.07 1.42 3.41 -1.26 -4.39 113.62 110.15 1j7y n SER 44 Ca -0.01 -1.77 0.15 0.00 -0.26 0.00 0.00 58.87 56.98 1j7y n SER 44 Cb 0.18 -0.14 0.84 0.00 -0.26 0.00 0.00 64.21 64.84 1j7y n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1j7y n PHE 45 N 0.37 0.00 -1.74 7.33 3.01 -0.82 -5.02 117.46 120.59 1j7y n PHE 45 Ca 0.15 -0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.61 1j7y n PHE 45 Cb 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.79 1j7y n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1j7y n GLY 46 N 1.00 0.20 3.62 1.37 0.00 -1.26 -4.71 105.19 105.40 1j7y n GLY 46 Ca 0.22 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 1j7y n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j7y s ASP 47 N -4.00 6.29 -0.12 1.61 -1.08 -1.26 -4.81 116.67 113.30 1j7y s ASP 47 Ca 0.00 1.35 0.15 0.00 -0.52 0.00 0.00 52.55 53.53 1j7y s ASP 47 Cb 0.00 -2.53 0.37 0.00 -1.46 0.00 0.00 42.92 39.29 1j7y s ASP 47 CO 0.00 -1.38 1.18 0.18 0.52 0.00 0.00 175.17 175.67 1j7y n LEU 48 N 8.86 1.94 0.19 -1.34 4.77 -1.26 -4.09 117.00 126.08 1j7y n LEU 48 Ca 0.19 -3.00 0.03 0.00 -0.03 0.00 0.00 56.01 53.20 1j7y n LEU 48 Cb 0.46 -0.32 0.39 0.00 -2.33 0.00 0.00 43.42 41.62 1j7y n LEU 48 CO 0.66 0.95 0.76 0.77 -1.33 0.00 0.00 177.39 179.20 1j7y h SER 49 N 0.76 0.00 -5.40 -1.43 4.64 -1.92 -3.44 113.55 106.77 1j7y h SER 49 Ca -0.06 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.08 1j7y h SER 49 Cb 1.29 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.23 1j7y h SER 49 CO 0.03 0.34 -0.62 0.42 -0.87 0.00 0.00 176.83 176.12 1j7y s THR 50 N -4.23 0.11 0.21 2.95 -4.23 -1.26 -5.02 115.64 104.16 1j7y s THR 50 Ca -0.03 -1.86 -0.09 0.00 -1.18 0.00 0.00 61.69 58.53 1j7y s THR 50 Cb 0.14 -1.99 0.14 0.00 1.34 0.00 0.00 72.50 72.13 1j7y s THR 50 CO 0.71 -0.48 1.78 -0.65 -0.54 0.00 0.00 174.62 175.44 1j7y h PRO 51 N 2.85 0.55 -0.49 3.99 0.11 -1.98 0.10 132.00 137.13 1j7y h PRO 51 Ca -0.35 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.67 1j7y h PRO 51 Cb 1.20 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1j7y h PRO 51 CO 0.58 0.36 0.04 -0.44 -0.21 0.00 0.00 178.00 178.34 1j7y h ASP 52 N 0.56 0.75 -0.16 -2.05 5.19 -1.98 -0.69 116.42 118.04 1j7y h ASP 52 Ca 0.31 -0.16 -0.02 0.00 -0.62 0.00 0.00 57.03 56.54 1j7y h ASP 52 Cb 0.28 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 1j7y h ASP 52 CO -0.24 0.79 0.04 0.00 -3.12 0.00 0.00 179.24 176.71 1j7y h ALA 53 N 1.30 0.22 -0.05 3.45 0.00 -1.52 -1.18 119.26 121.47 1j7y h ALA 53 Ca 0.15 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1j7y h ALA 53 Cb 0.39 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1j7y h ALA 53 CO 0.01 -0.14 -0.02 0.28 0.00 0.00 0.00 179.25 179.38 1j7y h VAL 54 N 0.07 0.92 -0.31 0.00 2.07 -0.83 -1.49 116.25 116.69 1j7y h VAL 54 Ca 0.05 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.51 1j7y h VAL 54 Cb 0.27 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1j7y h VAL 54 CO 0.00 0.00 -0.06 0.24 0.02 0.00 0.00 177.57 177.77 1j7y h MET 55 N -0.02 0.49 -0.01 1.57 2.07 -1.07 -2.69 114.93 115.28 1j7y h MET 55 Ca 0.03 -0.12 0.00 0.00 -2.07 0.00 0.00 59.70 57.54 1j7y h MET 55 Cb 0.06 -0.06 0.00 0.00 -1.87 0.00 0.00 31.60 29.73 1j7y h MET 55 CO -0.07 0.57 -0.26 0.41 1.07 0.00 0.00 176.91 178.63 1j7y n GLY 56 N -0.78 -0.69 3.68 8.32 0.00 -0.45 -4.81 105.19 110.46 1j7y n GLY 56 Ca 0.01 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1j7y n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j7y s ASN 57 N -2.54 6.77 0.46 1.61 3.84 -0.57 -4.91 114.94 119.61 1j7y s ASN 57 Ca 0.24 2.17 0.11 0.00 0.21 0.00 0.00 52.86 55.59 1j7y s ASN 57 Cb 0.19 -2.55 1.04 0.00 -0.55 0.00 0.00 41.25 39.38 1j7y s ASN 57 CO 0.53 -0.80 2.09 -0.65 -2.79 0.00 0.00 177.10 175.47 1j7y h PRO 58 N 8.37 0.31 -0.04 0.43 0.11 -1.90 -1.00 132.00 138.27 1j7y h PRO 58 Ca -0.38 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.57 1j7y h PRO 58 Cb 1.17 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1j7y h PRO 58 CO 0.93 0.20 -0.64 0.87 -0.21 0.00 0.00 178.00 179.15 1j7y h LYS 59 N 0.32 0.15 -0.26 1.05 1.57 -1.91 -0.33 116.57 117.15 1j7y h LYS 59 Ca 0.10 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1j7y h LYS 59 Cb 0.03 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1j7y h LYS 59 CO -0.02 0.74 -0.06 0.28 -0.57 0.00 0.00 179.45 179.82 1j7y h VAL 60 N 0.11 1.28 -0.70 0.50 2.07 -1.62 -0.59 116.25 117.30 1j7y h VAL 60 Ca -0.01 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 1j7y h VAL 60 Cb 1.15 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 32.33 1j7y h VAL 60 CO 0.09 0.33 0.41 0.11 0.02 0.00 0.00 177.57 178.53 1j7y h LYS 61 N 0.26 0.96 -0.65 1.57 1.57 -1.07 0.01 116.57 119.22 1j7y h LYS 61 Ca 0.07 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1j7y h LYS 61 Cb 0.52 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 1j7y h LYS 61 CO 0.02 0.70 0.14 0.00 -0.57 0.00 0.00 179.45 179.74 1j7y h ALA 62 N 1.21 1.02 -0.49 3.86 0.00 -0.92 -0.69 119.26 123.26 1j7y h ALA 62 Ca 0.25 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1j7y h ALA 62 Cb -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1j7y h ALA 62 CO -0.04 0.63 -0.20 0.37 0.00 0.00 0.00 179.25 180.01 1j7y h GLN 63 N 0.98 0.99 -0.83 0.00 5.75 -0.82 -2.42 115.11 118.77 1j7y h GLN 63 Ca 0.20 -0.42 -0.04 0.00 -0.15 0.00 0.00 58.65 58.25 1j7y h GLN 63 Cb 0.37 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.85 1j7y h GLN 63 CO 0.00 1.10 0.38 0.78 -2.65 0.00 0.00 178.83 178.44 1j7y h GLY 64 N 0.85 1.29 0.88 2.39 0.00 -0.66 -1.13 103.07 106.69 1j7y h GLY 64 Ca 0.11 -0.66 0.03 0.00 0.00 0.00 0.00 47.33 46.81 1j7y h GLY 64 CO 0.06 0.63 0.47 0.50 0.00 0.00 0.00 176.54 178.20 1j7y h LYS 65 N 1.18 0.89 -0.36 4.80 1.57 -0.86 -0.81 116.57 122.99 1j7y h LYS 65 Ca 0.28 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.96 1j7y h LYS 65 Cb 0.15 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1j7y h LYS 65 CO -0.03 0.59 0.04 0.87 -0.57 0.00 0.00 179.45 180.35 1j7y h LYS 66 N 0.92 0.61 0.07 3.15 1.57 -0.94 -1.01 116.57 120.93 1j7y h LYS 66 Ca 0.30 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1j7y h LYS 66 Cb 0.01 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1j7y h LYS 66 CO -0.11 0.70 -0.03 0.28 -0.57 0.00 0.00 179.45 179.71 1j7y h VAL 67 N 0.44 1.06 0.00 0.50 2.07 -1.11 -1.87 116.25 117.35 1j7y h VAL 67 Ca 0.11 -0.45 -0.10 0.00 0.82 0.00 0.00 66.70 67.08 1j7y h VAL 67 Cb 0.40 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1j7y h VAL 67 CO 0.01 0.11 -0.47 0.25 0.02 0.00 0.00 177.57 177.49 1j7y h LEU 68 N -0.29 0.00 -0.54 2.57 5.85 -1.18 -0.83 115.31 120.89 1j7y h LEU 68 Ca -0.01 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1j7y h LEU 68 Cb 0.26 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1j7y h LEU 68 CO 0.02 0.47 0.34 1.23 -0.34 0.00 0.00 178.44 180.16 1j7y h GLY 69 N 1.89 0.76 1.51 3.75 0.00 -1.07 0.25 103.07 110.16 1j7y h GLY 69 Ca -0.00 -0.26 -0.16 0.00 0.00 0.00 0.00 47.33 46.90 1j7y h GLY 69 CO 0.06 0.25 -0.54 0.00 0.00 0.00 0.00 176.54 176.30 1j7y h ALA 70 N 1.21 0.73 -0.57 3.60 0.00 -0.82 -1.35 119.26 122.07 1j7y h ALA 70 Ca 0.21 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1j7y h ALA 70 Cb -0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1j7y h ALA 70 CO -0.07 0.69 0.30 0.35 0.00 0.00 0.00 179.25 180.53 1j7y h PHE 71 N 0.40 0.79 -0.55 0.00 3.04 -0.88 -1.47 116.94 118.26 1j7y h PHE 71 Ca 0.01 -0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.93 1j7y h PHE 71 Cb 1.08 -0.25 -0.03 0.00 2.56 0.00 0.00 35.95 39.31 1j7y h PHE 71 CO 0.04 0.58 0.32 1.03 -2.02 0.00 0.00 178.31 178.27 1j7y h SER 72 N 0.77 0.67 -0.86 0.41 0.87 -0.18 -1.04 113.55 114.17 1j7y h SER 72 Ca 0.20 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1j7y h SER 72 Cb 0.06 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 61.81 1j7y h SER 72 CO -0.03 0.54 0.55 0.44 -0.53 0.00 0.00 176.83 177.80 1j7y h ASP 73 N 0.74 1.01 0.32 6.23 3.32 -1.06 -2.08 116.42 124.90 1j7y h ASP 73 Ca 0.20 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1j7y h ASP 73 Cb 0.00 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 1j7y h ASP 73 CO -0.04 0.75 -0.11 1.23 -1.72 0.00 0.00 179.24 179.36 1j7y h GLY 74 N 1.19 0.00 2.00 2.75 0.00 -0.11 -2.29 103.07 106.61 1j7y h GLY 74 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1j7y h GLY 74 CO -0.06 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.52 1j7y n LEU 75 N -3.68 0.51 0.01 3.11 4.77 -0.78 -1.15 117.00 119.79 1j7y n LEU 75 Ca -0.02 0.64 0.13 0.00 -0.03 0.00 0.00 56.01 56.73 1j7y n LEU 75 Cb 0.22 -0.59 0.48 0.00 -2.33 0.00 0.00 43.42 41.21 1j7y n LEU 75 CO 0.30 -0.54 0.79 0.00 -1.33 0.00 0.00 177.39 176.61 1j7y n ALA 76 N -1.72 2.69 -2.56 -1.18 0.00 -0.86 -4.13 120.51 112.75 1j7y n ALA 76 Ca 0.02 -0.17 -0.18 0.00 0.00 0.00 0.00 53.44 53.11 1j7y n ALA 76 Cb 0.19 -1.36 0.02 0.00 0.00 0.00 0.00 19.45 18.30 1j7y n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j7y n HIS 77 N -1.58 2.30 0.33 0.00 8.25 -0.30 -4.89 115.22 119.33 1j7y n HIS 77 Ca 0.06 -2.93 0.12 0.00 -0.26 0.00 0.00 57.72 54.71 1j7y n HIS 77 Cb 0.35 -0.23 0.52 0.00 1.12 0.00 0.00 29.99 31.75 1j7y n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1j7y n LEU 78 N -0.29 0.64 -0.09 2.41 4.77 -1.23 -0.90 117.00 122.32 1j7y n LEU 78 Ca 0.24 0.70 0.13 0.00 -0.03 0.00 0.00 56.01 57.05 1j7y n LEU 78 Cb 0.74 -0.65 0.44 0.00 -2.33 0.00 0.00 43.42 41.62 1j7y n LEU 78 CO 0.30 -0.68 0.69 0.47 -1.33 0.00 0.00 177.39 176.84 1j7y n ASP 79 N -2.25 0.55 -2.95 -1.43 8.00 -1.26 -1.29 116.55 115.92 1j7y n ASP 79 Ca 0.01 -0.39 -0.14 0.00 0.71 0.00 0.00 54.79 54.97 1j7y n ASP 79 Cb 0.17 0.02 0.01 0.00 -0.02 0.00 0.00 41.12 41.31 1j7y n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1j7y n ASN 80 N -1.14 -1.20 -0.14 -2.24 2.85 -0.08 -3.60 115.26 109.72 1j7y n ASN 80 Ca 0.10 -3.18 -0.12 0.00 -0.11 0.00 0.00 54.58 51.27 1j7y n ASN 80 Cb 0.32 0.71 -0.02 0.00 1.24 0.00 0.00 39.78 42.04 1j7y n ASN 80 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1j7y h LEU 81 N 3.56 0.84 -0.56 1.20 3.38 -1.73 -2.01 115.31 119.99 1j7y h LEU 81 Ca -0.03 -0.39 0.03 0.00 0.09 0.00 0.00 57.88 57.58 1j7y h LEU 81 Cb 1.00 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 1j7y h LEU 81 CO 0.35 1.05 0.32 0.11 0.09 0.00 0.00 178.44 180.36 1j7y h LYS 82 N 0.63 0.60 -0.55 1.13 1.57 -1.89 -1.60 116.57 116.47 1j7y h LYS 82 Ca 0.09 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 1j7y h LYS 82 Cb 0.72 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1j7y h LYS 82 CO 0.05 0.40 -0.01 0.78 -0.57 0.00 0.00 179.45 180.10 1j7y h GLY 83 N 0.62 1.05 1.30 3.86 0.00 -1.94 -1.88 103.07 106.09 1j7y h GLY 83 Ca 0.23 -0.78 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 1j7y h GLY 83 CO -0.12 0.72 0.35 -0.84 0.00 0.00 0.00 176.54 176.65 1j7y h THR 84 N 0.85 1.20 -0.50 4.70 2.02 -1.12 -3.03 112.91 117.03 1j7y h THR 84 Ca 0.15 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1j7y h THR 84 Cb 0.56 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1j7y h THR 84 CO 0.03 0.23 0.00 0.49 0.37 0.00 0.00 175.52 176.64 1j7y n PHE 85 N -4.37 0.67 -0.20 3.16 3.72 -0.62 -4.66 117.46 115.16 1j7y n PHE 85 Ca 0.06 -0.49 -0.05 0.00 -0.05 0.00 0.00 57.45 56.92 1j7y n PHE 85 Cb 0.11 -0.02 0.05 0.00 -0.94 0.00 0.00 39.48 38.69 1j7y n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1j7y h ALA 86 N 2.99 0.76 -0.46 4.37 0.00 -1.21 0.37 119.26 126.07 1j7y h ALA 86 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1j7y h ALA 86 Cb 0.84 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1j7y h ALA 86 CO 0.00 0.09 0.03 1.15 0.00 0.00 0.00 179.25 180.52 1j7y h THR 87 N 0.70 1.26 0.00 0.00 2.02 -1.83 -1.34 112.91 113.72 1j7y h THR 87 Ca 0.24 -0.99 -0.09 0.00 0.77 0.00 0.00 66.41 66.34 1j7y h THR 87 Cb 0.02 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1j7y h THR 87 CO -0.10 0.34 -0.42 -0.07 0.37 0.00 0.00 175.52 175.64 1j7y h LEU 88 N 0.65 0.00 0.06 2.58 3.38 -1.76 -1.74 115.31 118.48 1j7y h LEU 88 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1j7y h LEU 88 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1j7y h LEU 88 CO 0.02 0.42 -0.03 -1.28 0.09 0.00 0.00 178.44 177.66 1j7y h SER 89 N 0.00 -0.07 -0.81 -0.43 0.87 0.20 -0.36 113.55 112.95 1j7y h SER 89 Ca -0.00 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1j7y h SER 89 Cb 0.78 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.72 1j7y h SER 89 CO 0.05 0.08 0.49 -0.33 -0.53 0.00 0.00 176.83 176.59 1j7y h GLU 90 N -0.21 1.10 0.15 2.24 5.08 -1.07 -0.87 114.58 121.01 1j7y h GLU 90 Ca -0.01 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1j7y h GLU 90 Cb 0.18 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1j7y h GLU 90 CO 0.01 0.77 -0.07 1.25 -1.00 0.00 0.00 179.01 179.97 1j7y h LEU 91 N 1.12 -0.17 -1.45 1.33 5.85 -1.04 0.10 115.31 121.05 1j7y h LEU 91 Ca 0.29 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 1j7y h LEU 91 Cb -0.05 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1j7y h LEU 91 CO -0.06 -0.06 0.04 0.45 -0.34 0.00 0.00 178.44 178.47 1j7y h HIS 92 N -0.27 0.40 0.08 1.25 3.86 -0.78 -1.37 115.15 118.33 1j7y h HIS 92 Ca -0.02 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1j7y h HIS 92 Cb 0.21 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.56 1j7y h HIS 92 CO -0.05 0.38 -0.04 0.00 0.86 0.00 0.00 177.93 179.08 1j7y h ASP 94 N -0.57 1.02 0.00 0.00 3.32 -0.84 -2.89 116.42 116.46 1j7y h ASP 94 Ca -0.01 -0.38 -0.41 0.00 0.02 0.00 0.00 57.03 56.25 1j7y h ASP 94 Cb 0.09 -0.28 -0.07 0.00 0.22 0.00 0.00 39.33 39.29 1j7y h ASP 94 CO 0.02 1.17 -2.46 0.29 -1.72 0.00 0.00 179.24 176.53 1j7y n LYS 95 N -4.14 0.61 0.05 3.56 4.76 -0.63 -4.69 118.16 117.68 1j7y n LYS 95 Ca 0.01 0.19 0.12 0.00 -2.87 0.00 0.00 58.31 55.75 1j7y n LYS 95 Cb 0.43 -1.49 0.08 0.00 -1.84 0.00 0.00 35.03 32.22 1j7y n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1j7y n LEU 96 N -3.61 0.68 -3.73 -0.35 4.77 -0.61 -4.98 117.00 109.15 1j7y n LEU 96 Ca -0.48 0.15 -0.25 0.00 -0.03 0.00 0.00 56.01 55.41 1j7y n LEU 96 Cb 0.94 -0.13 0.04 0.00 -2.33 0.00 0.00 43.42 41.94 1j7y n LEU 96 CO 0.17 -0.04 0.07 1.41 -1.33 0.00 0.00 177.39 177.67 1j7y n HIS 97 N -2.15 -2.26 -3.55 -1.77 8.25 -0.55 -4.96 115.22 108.22 1j7y n HIS 97 Ca 0.02 0.91 -0.37 0.00 -0.26 0.00 0.00 57.72 58.01 1j7y n HIS 97 Cb 0.46 -4.43 -0.09 0.00 1.12 0.00 0.00 29.99 27.05 1j7y n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1j7y s VAL 98 N -3.44 5.29 0.17 1.59 1.01 -0.23 -5.03 120.40 119.77 1j7y s VAL 98 Ca 0.35 0.34 -0.32 0.00 0.00 0.00 0.00 61.98 62.36 1j7y s VAL 98 Cb -0.17 -3.58 -0.11 0.00 0.00 0.00 0.00 36.38 32.52 1j7y s VAL 98 CO 0.80 0.29 1.72 -0.62 0.00 0.00 0.00 175.10 177.28 1j7y s ASP 99 N 1.24 6.44 0.20 3.32 -1.08 -1.26 -4.74 116.67 120.79 1j7y s ASP 99 Ca 0.11 2.78 0.16 0.00 -0.52 0.00 0.00 52.55 55.07 1j7y s ASP 99 Cb -0.14 -2.59 0.79 0.00 -1.46 0.00 0.00 42.92 39.51 1j7y s ASP 99 CO 0.07 -0.95 1.49 -2.65 0.52 0.00 0.00 175.17 173.64 1j7y n PRO 100 N 4.52 0.10 0.01 4.34 -0.02 -1.26 -1.66 135.00 141.03 1j7y n PRO 100 Ca 0.16 0.52 0.13 0.00 -2.02 0.00 0.00 63.50 62.29 1j7y n PRO 100 Cb 0.37 -1.78 0.57 0.00 -0.02 0.00 0.00 33.50 32.64 1j7y n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1j7y h GLU 101 N 0.00 0.22 -0.23 -0.52 4.57 -1.98 -1.15 114.58 115.49 1j7y h GLU 101 Ca 0.00 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.23 1j7y h GLU 101 Cb 0.10 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1j7y h GLU 101 CO 0.00 0.15 0.17 -0.91 -1.18 0.00 0.00 179.01 177.23 1j7y h ASN 102 N 0.23 0.04 -0.20 1.04 4.21 -1.69 -0.89 115.58 118.32 1j7y h ASN 102 Ca 0.21 -0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.60 1j7y h ASN 102 Cb 0.53 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.71 1j7y h ASN 102 CO -0.04 0.03 -0.30 -0.26 -1.29 0.00 0.00 177.43 175.57 1j7y h PHE 103 N 0.05 0.81 -0.37 1.19 0.04 -1.41 0.07 116.94 117.32 1j7y h PHE 103 Ca 0.11 -0.20 -0.09 0.00 2.80 0.00 0.00 57.97 60.58 1j7y h PHE 103 Cb 0.38 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 1j7y h PHE 103 CO -0.00 0.92 -0.12 0.00 -0.60 0.00 0.00 178.31 178.51 1j7y h ARG 104 N 0.60 0.73 -0.69 1.51 3.08 -1.22 -1.47 114.38 116.92 1j7y h ARG 104 Ca 0.07 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 1j7y h ARG 104 Cb 0.81 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.79 1j7y h ARG 104 CO 0.07 0.89 0.38 -0.07 -1.07 0.00 0.00 179.97 180.17 1j7y h LEU 105 N 0.52 0.86 -0.84 3.04 3.38 -1.12 -0.89 115.31 120.27 1j7y h LEU 105 Ca 0.09 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1j7y h LEU 105 Cb 0.64 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1j7y h LEU 105 CO 0.04 0.71 0.34 0.25 0.09 0.00 0.00 178.44 179.88 1j7y h LEU 106 N 0.95 1.10 -0.93 1.67 5.85 -0.87 -1.82 115.31 121.25 1j7y h LEU 106 Ca 0.24 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1j7y h LEU 106 Cb 0.04 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 1j7y h LEU 106 CO -0.04 0.96 0.62 1.23 -0.34 0.00 0.00 178.44 180.87 1j7y h GLY 107 N 1.18 1.32 1.24 3.75 0.00 -0.67 0.40 103.07 110.29 1j7y h GLY 107 Ca 0.27 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 1j7y h GLY 107 CO -0.03 0.48 -0.01 3.43 0.00 0.00 0.00 176.54 180.42 1j7y h ASN 108 N 1.26 0.89 0.32 0.19 -0.26 -0.52 -1.29 115.58 116.17 1j7y h ASN 108 Ca 0.34 -0.23 -0.19 0.00 -0.56 0.00 0.00 56.30 55.66 1j7y h ASN 108 Cb -0.14 -0.24 -0.00 0.00 -1.06 0.00 0.00 38.32 36.88 1j7y h ASN 108 CO -0.08 0.95 -0.78 0.58 -1.06 0.00 0.00 177.43 177.05 1j7y h VAL 109 N 0.84 1.40 -0.62 2.81 2.07 -1.06 -2.17 116.25 119.52 1j7y h VAL 109 Ca 0.16 -2.24 -0.05 0.00 0.82 0.00 0.00 66.70 65.39 1j7y h VAL 109 Cb 0.51 2.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 1j7y h VAL 109 CO 0.03 0.67 0.20 0.25 0.02 0.00 0.00 177.57 178.74 1j7y h LEU 110 N 0.24 0.90 -0.73 2.57 5.85 -0.69 0.11 115.31 123.56 1j7y h LEU 110 Ca -0.04 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 1j7y h LEU 110 Cb 1.36 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1j7y h LEU 110 CO 0.13 0.86 0.38 0.58 -0.34 0.00 0.00 178.44 180.06 1j7y h VAL 111 N 0.89 1.23 -0.73 1.05 2.07 -1.06 -0.55 116.25 119.15 1j7y h VAL 111 Ca 0.20 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 1j7y h VAL 111 Cb 0.28 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1j7y h VAL 111 CO -0.01 0.26 0.26 0.00 0.02 0.00 0.00 177.57 178.10 1j7y h VAL 113 N 1.07 1.27 -0.53 0.00 2.07 -0.18 0.08 116.25 120.03 1j7y h VAL 113 Ca 0.24 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 1j7y h VAL 113 Cb 0.25 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1j7y h VAL 113 CO -0.01 0.43 0.26 -0.07 0.02 0.00 0.00 177.57 178.20 1j7y h LEU 114 N 0.89 0.68 -0.61 2.57 3.38 -0.89 0.44 115.31 121.78 1j7y h LEU 114 Ca 0.14 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1j7y h LEU 114 Cb 0.64 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1j7y h LEU 114 CO 0.04 0.61 0.31 0.00 0.09 0.00 0.00 178.44 179.50 1j7y h ALA 115 N 1.10 0.78 -0.49 1.53 0.00 -0.93 -0.22 119.26 121.03 1j7y h ALA 115 Ca 0.18 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1j7y h ALA 115 Cb 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1j7y h ALA 115 CO -0.02 0.32 0.05 1.25 0.00 0.00 0.00 179.25 180.85 1j7y h HIS 116 N 0.82 0.90 -0.12 0.00 -0.00 -0.60 -1.07 115.15 115.08 1j7y h HIS 116 Ca 0.21 -0.14 -0.11 0.00 -0.00 0.00 0.00 60.37 60.34 1j7y h HIS 116 Cb 0.08 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 27.25 1j7y h HIS 116 CO -0.01 0.83 -0.35 1.25 -0.00 0.00 0.00 177.93 179.66 1j7y h HIS 117 N 0.71 0.57 0.00 5.26 6.17 -0.79 -3.34 115.15 123.72 1j7y h HIS 117 Ca 0.15 -0.23 0.00 0.00 0.71 0.00 0.00 60.37 61.00 1j7y h HIS 117 Cb 0.43 -0.10 0.00 0.00 2.52 0.00 0.00 27.41 30.27 1j7y h HIS 117 CO 0.03 0.96 -0.92 1.19 0.71 0.00 0.00 177.93 179.90 1j7y n PHE 118 N -4.37 0.53 -0.65 5.26 3.72 -0.10 -5.03 117.46 116.81 1j7y n PHE 118 Ca -0.07 0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 1j7y n PHE 118 Cb 0.51 -0.65 0.00 0.00 -0.94 0.00 0.00 39.48 38.40 1j7y n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1j7y n GLY 119 N 1.31 3.33 0.33 1.37 0.00 -0.41 -3.04 105.19 108.09 1j7y n GLY 119 Ca 0.02 -0.17 0.16 0.00 0.00 0.00 0.00 46.02 46.03 1j7y n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1j7y h LYS 120 N 0.00 0.00 0.00 1.61 3.64 -1.96 -0.38 116.57 119.48 1j7y h LYS 120 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1j7y h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1j7y h LYS 120 CO 0.00 0.00 -0.05 0.93 -2.27 0.00 0.00 179.45 178.06 1j7y h GLU 121 N 0.00 0.00 -3.77 1.90 5.08 -1.94 -3.24 114.58 112.61 1j7y h GLU 121 Ca 0.11 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.73 1j7y h GLU 121 Cb 0.53 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.65 1j7y h GLU 121 CO -0.00 0.05 2.27 0.34 -1.00 0.00 0.00 179.01 180.67 1j7y n PHE 122 N -3.24 3.26 -1.23 4.33 7.35 -0.15 -4.92 117.46 122.87 1j7y n PHE 122 Ca -0.01 -2.87 -0.29 0.00 -0.76 0.00 0.00 57.45 53.52 1j7y n PHE 122 Cb 0.26 -2.14 0.16 0.00 0.35 0.00 0.00 39.48 38.12 1j7y n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1j7y s THR 123 N 1.27 2.18 0.19 -2.13 -4.23 -1.22 -4.68 115.64 107.01 1j7y s THR 123 Ca 0.42 0.06 -0.12 0.00 -1.18 0.00 0.00 61.69 60.87 1j7y s THR 123 Cb 0.10 -2.58 0.13 0.00 1.34 0.00 0.00 72.50 71.49 1j7y s THR 123 CO -0.02 -0.08 1.70 -0.65 -0.54 0.00 0.00 174.62 175.04 1j7y h PRO 124 N -1.78 0.19 -0.75 3.99 0.11 -1.93 -0.29 132.00 131.54 1j7y h PRO 124 Ca -0.53 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.52 1j7y h PRO 124 Cb 1.32 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 1j7y h PRO 124 CO 0.58 0.13 0.30 -1.35 -0.21 0.00 0.00 178.00 177.44 1j7y h PRO 125 N 0.20 1.11 -0.44 1.05 0.11 -1.99 -0.52 132.00 131.51 1j7y h PRO 125 Ca 0.27 -0.19 -0.04 0.00 0.11 0.00 0.00 66.00 66.15 1j7y h PRO 125 Cb 0.40 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 1j7y h PRO 125 CO -0.38 0.90 0.12 0.28 -0.21 0.00 0.00 178.00 178.70 1j7y h VAL 126 N 1.08 1.23 -0.28 3.15 2.07 -1.71 -2.21 116.25 119.58 1j7y h VAL 126 Ca 0.25 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1j7y h VAL 126 Cb 0.20 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1j7y h VAL 126 CO -0.02 0.28 0.19 -0.61 0.02 0.00 0.00 177.57 177.43 1j7y h GLN 127 N 0.58 0.37 -0.95 1.57 4.15 -0.84 -1.38 115.11 118.62 1j7y h GLN 127 Ca 0.14 -0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.63 1j7y h GLN 127 Cb 0.30 -0.08 -0.07 0.00 0.21 0.00 0.00 27.48 27.84 1j7y h GLN 127 CO -0.00 0.25 0.61 0.00 -1.93 0.00 0.00 178.83 177.76 1j7y h ALA 128 N 1.10 1.53 -0.30 3.38 0.00 -0.84 0.36 119.26 124.49 1j7y h ALA 128 Ca 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1j7y h ALA 128 Cb -0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1j7y h ALA 128 CO -0.02 0.29 0.05 0.00 0.00 0.00 0.00 179.25 179.56 1j7y h ALA 129 N 1.52 0.40 -0.13 0.00 0.00 -0.95 -2.38 119.26 117.72 1j7y h ALA 129 Ca 0.44 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1j7y h ALA 129 Cb 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1j7y h ALA 129 CO -0.19 0.09 -0.25 1.88 0.00 0.00 0.00 179.25 180.78 1j7y h TYR 130 N 0.33 0.26 -0.81 0.00 0.05 -0.23 -1.79 116.97 114.78 1j7y h TYR 130 Ca 0.09 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.81 1j7y h TYR 130 Cb 0.34 -0.07 -0.04 0.00 1.01 0.00 0.00 36.73 37.97 1j7y h TYR 130 CO 0.02 0.48 0.43 1.96 -1.05 0.00 0.00 178.16 180.00 1j7y h GLN 131 N 0.22 1.14 -0.43 4.88 1.08 0.01 0.36 115.11 122.37 1j7y h GLN 131 Ca 0.03 -0.14 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 1j7y h GLN 131 Cb 0.57 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.76 1j7y h GLN 131 CO 0.04 0.85 0.18 0.87 -0.95 0.00 0.00 178.83 179.83 1j7y h LYS 132 N 1.14 0.64 -0.14 1.46 1.57 -1.08 -1.76 116.57 118.41 1j7y h LYS 132 Ca 0.28 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1j7y h LYS 132 Cb 0.06 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1j7y h LYS 132 CO -0.04 0.58 0.04 0.28 -0.57 0.00 0.00 179.45 179.74 1j7y h VAL 133 N 0.56 1.18 -0.31 0.50 2.07 -0.94 -0.34 116.25 118.96 1j7y h VAL 133 Ca 0.15 -0.56 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 1j7y h VAL 133 Cb 0.17 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1j7y h VAL 133 CO -0.01 0.17 -0.03 -0.37 0.02 0.00 0.00 177.57 177.34 1j7y h VAL 134 N 0.04 1.20 -0.49 2.57 -1.51 -0.89 0.25 116.25 117.41 1j7y h VAL 134 Ca 0.04 -0.81 -0.12 0.00 -1.23 0.00 0.00 66.70 64.59 1j7y h VAL 134 Cb 0.22 1.00 -0.01 0.00 -2.13 0.00 0.00 31.29 30.37 1j7y h VAL 134 CO -0.00 0.27 -0.16 0.00 -1.23 0.00 0.00 177.57 176.45 1j7y h ALA 135 N 1.51 0.68 -0.42 5.19 0.00 -1.24 -0.50 119.26 124.47 1j7y h ALA 135 Ca 0.10 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1j7y h ALA 135 Cb 0.35 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1j7y h ALA 135 CO 0.01 0.62 0.14 0.78 0.00 0.00 0.00 179.25 180.81 1j7y h GLY 136 N 0.83 0.70 0.97 0.00 0.00 -0.31 0.27 103.07 105.53 1j7y h GLY 136 Ca 0.12 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 1j7y h GLY 136 CO 0.06 0.38 0.03 -2.08 0.00 0.00 0.00 176.54 174.93 1j7y h VAL 137 N 0.54 1.26 -0.78 4.60 2.07 -0.90 -0.58 116.25 122.47 1j7y h VAL 137 Ca 0.14 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1j7y h VAL 137 Cb 0.25 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1j7y h VAL 137 CO -0.01 0.34 0.44 0.00 0.02 0.00 0.00 177.57 178.36 1j7y h ALA 138 N 0.92 0.99 -0.76 1.67 0.00 -0.96 0.33 119.26 121.46 1j7y h ALA 138 Ca 0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1j7y h ALA 138 Cb 0.46 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1j7y h ALA 138 CO 0.02 0.50 0.32 -0.97 0.00 0.00 0.00 179.25 179.12 1j7y h ASN 139 N 1.07 1.04 -0.45 0.00 -1.24 -0.75 -1.43 115.58 113.82 1j7y h ASN 139 Ca 0.27 -0.16 -0.04 0.00 0.71 0.00 0.00 56.30 57.08 1j7y h ASN 139 Cb 0.02 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.78 1j7y h ASN 139 CO -0.05 0.92 0.11 0.00 -1.29 0.00 0.00 177.43 177.12 1j7y h ALA 140 N 1.16 0.59 0.00 1.57 0.00 -0.72 -1.71 119.26 120.16 1j7y h ALA 140 Ca 0.26 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1j7y h ALA 140 Cb 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1j7y h ALA 140 CO -0.02 0.27 -0.17 -0.07 0.00 0.00 0.00 179.25 179.26 1j7y h LEU 141 N 0.59 0.00 0.00 0.00 3.38 -0.73 -2.66 115.31 115.89 1j7y h LEU 141 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1j7y h LEU 141 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1j7y h LEU 141 CO 0.00 0.17 -0.51 0.00 0.09 0.00 0.00 178.44 178.19 1j7y n ALA 142 N -2.24 3.27 -0.01 1.53 0.00 -0.56 -4.42 120.51 118.08 1j7y n ALA 142 Ca -0.01 -0.30 0.03 0.00 0.00 0.00 0.00 53.44 53.16 1j7y n ALA 142 Cb 0.34 -1.16 0.39 0.00 0.00 0.00 0.00 19.45 19.02 1j7y n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1j7y h HIS 143 N 0.00 0.54 -0.32 0.00 6.17 -0.95 -2.56 115.15 118.03 1j7y h HIS 143 Ca 0.00 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1j7y h HIS 143 Cb 0.58 -0.18 0.00 0.00 2.52 0.00 0.00 27.41 30.33 1j7y h HIS 143 CO 0.00 0.38 0.00 1.63 0.71 0.00 0.00 177.93 180.65 1j7y n LYS 144 N -4.43 1.95 -2.18 5.26 4.76 -1.26 -4.92 118.16 117.33 1j7y n LYS 144 Ca 0.03 -1.45 -0.36 0.00 -2.87 0.00 0.00 58.31 53.66 1j7y n LYS 144 Cb 0.10 -1.38 0.01 0.00 -1.84 0.00 0.00 35.03 31.91 1j7y n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1j7y s TYR 145 N -1.58 2.66 0.00 2.13 1.51 -0.97 -4.76 117.35 116.34 1j7y s TYR 145 Ca 0.31 1.53 0.00 0.00 -1.01 0.00 0.00 57.07 57.90 1j7y s TYR 145 Cb 0.17 -3.39 0.00 0.00 -0.11 0.00 0.00 41.96 38.63 1j7y s TYR 145 CO 0.24 -1.75 0.00 -2.39 -1.11 0.00 0.00 175.55 170.53