#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3y s LEU 2 N 0.00 4.11 0.79 7.52 1.43 -1.26 -5.05 118.68 126.22 1j3y s LEU 2 Ca 0.00 1.20 -0.12 0.00 -1.03 0.00 0.00 54.13 54.18 1j3y s LEU 2 Cb 0.00 -3.34 0.06 0.00 0.03 0.00 0.00 46.19 42.95 1j3y s LEU 2 CO 0.00 -0.55 1.10 -0.94 0.23 0.00 0.00 176.35 176.19 1j3y s SER 3 N 1.25 4.58 0.23 2.29 1.04 -1.26 -4.87 113.70 116.97 1j3y s SER 3 Ca 0.39 1.25 -0.06 0.00 0.48 0.00 0.00 55.95 58.01 1j3y s SER 3 Cb -0.15 -1.98 0.32 0.00 0.10 0.00 0.00 66.02 64.30 1j3y s SER 3 CO 0.08 -1.90 1.82 -0.65 0.98 0.00 0.00 173.24 173.57 1j3y h PRO 4 N -1.04 0.80 -0.55 4.02 0.11 -1.99 -1.48 132.00 131.86 1j3y h PRO 4 Ca -0.47 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 1j3y h PRO 4 Cb 1.27 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1j3y h PRO 4 CO 0.60 0.53 0.25 0.00 -0.21 0.00 0.00 178.00 179.17 1j3y h ALA 5 N 1.40 1.41 -0.27 -0.75 0.00 -1.99 -1.14 119.26 117.92 1j3y h ALA 5 Ca 0.36 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1j3y h ALA 5 Cb 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1j3y h ALA 5 CO -0.20 0.46 0.15 -0.44 0.00 0.00 0.00 179.25 179.23 1j3y h ASP 6 N 0.78 0.33 -0.65 0.00 3.32 -1.73 -0.29 116.42 118.17 1j3y h ASP 6 Ca 0.19 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1j3y h ASP 6 Cb 0.11 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1j3y h ASP 6 CO -0.02 0.31 0.32 0.11 -1.72 0.00 0.00 179.24 178.24 1j3y h LYS 7 N 0.33 0.93 -0.60 3.56 1.57 -0.72 0.03 116.57 121.67 1j3y h LYS 7 Ca 0.10 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1j3y h LYS 7 Cb 0.05 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 1j3y h LYS 7 CO -0.02 0.74 0.29 1.15 -0.57 0.00 0.00 179.45 181.05 1j3y h THR 8 N 0.90 1.21 -0.63 -0.16 2.02 -1.09 -0.71 112.91 114.45 1j3y h THR 8 Ca 0.22 -0.59 -0.05 0.00 0.77 0.00 0.00 66.41 66.77 1j3y h THR 8 Cb 0.11 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 1j3y h THR 8 CO -0.03 0.24 0.19 0.78 0.37 0.00 0.00 175.52 177.07 1j3y h ASN 9 N 0.82 0.92 -0.33 4.18 2.35 -0.57 0.41 115.58 123.37 1j3y h ASN 9 Ca 0.21 -0.21 -0.06 0.00 -0.55 0.00 0.00 56.30 55.68 1j3y h ASN 9 Cb 0.11 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1j3y h ASN 9 CO -0.03 0.89 -0.04 0.58 -1.65 0.00 0.00 177.43 177.18 1j3y h VAL 10 N 0.91 1.27 -0.82 2.81 2.07 -0.88 -0.80 116.25 120.81 1j3y h VAL 10 Ca 0.20 -1.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 1j3y h VAL 10 Cb 0.30 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1j3y h VAL 10 CO -0.00 0.34 0.36 0.11 0.02 0.00 0.00 177.57 178.40 1j3y h LYS 11 N 0.40 1.20 0.14 1.57 1.57 -0.90 0.58 116.57 121.12 1j3y h LYS 11 Ca 0.09 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1j3y h LYS 11 Cb 0.52 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1j3y h LYS 11 CO 0.03 0.94 -0.07 0.00 -0.57 0.00 0.00 179.45 179.78 1j3y h ALA 12 N 1.22 -0.18 -0.22 3.86 0.00 -0.73 0.18 119.26 123.39 1j3y h ALA 12 Ca 0.28 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1j3y h ALA 12 Cb 0.16 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1j3y h ALA 12 CO -0.03 -0.58 -0.06 0.00 0.00 0.00 0.00 179.25 178.57 1j3y h ALA 13 N 0.64 0.30 -0.10 0.00 0.00 -0.98 -2.41 119.26 116.71 1j3y h ALA 13 Ca -0.02 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 1j3y h ALA 13 Cb 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1j3y h ALA 13 CO 0.03 0.10 -0.43 2.35 0.00 0.00 0.00 179.25 181.30 1j3y h TRP 14 N 0.15 0.26 -0.73 0.00 2.91 -0.89 -2.67 115.95 114.98 1j3y h TRP 14 Ca 0.05 -0.07 0.03 0.00 1.13 0.00 0.00 58.89 60.03 1j3y h TRP 14 Cb 0.53 -0.06 -0.05 0.00 -0.51 0.00 0.00 29.16 29.07 1j3y h TRP 14 CO 0.05 0.62 0.46 0.78 -1.03 0.00 0.00 178.44 179.32 1j3y h GLY 15 N 1.25 1.06 1.94 2.65 0.00 -0.51 -2.56 103.07 106.90 1j3y h GLY 15 Ca 0.01 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 1j3y h GLY 15 CO 0.07 0.29 -0.36 0.50 0.00 0.00 0.00 176.54 177.04 1j3y h LYS 16 N 0.89 0.07 -0.54 4.80 1.79 -1.16 -1.62 116.57 120.82 1j3y h LYS 16 Ca 0.30 -0.03 0.10 0.00 -2.18 0.00 0.00 60.65 58.84 1j3y h LYS 16 Cb 0.03 -0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.60 1j3y h LYS 16 CO -0.12 0.43 0.08 0.28 -1.08 0.00 0.00 179.45 179.04 1j3y h VAL 17 N 0.07 0.66 0.00 0.50 2.07 -1.14 -3.45 116.25 114.95 1j3y h VAL 17 Ca 0.01 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1j3y h VAL 17 Cb 0.67 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1j3y h VAL 17 CO 0.05 0.04 0.00 0.61 0.02 0.00 0.00 177.57 178.29 1j3y n GLY 18 N -1.31 2.82 0.00 2.17 0.00 -0.61 -1.04 105.19 107.23 1j3y n GLY 18 Ca 0.07 0.19 0.07 0.00 0.00 0.00 0.00 46.02 46.34 1j3y n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3y n ALA 19 N 10.18 1.65 1.32 4.61 0.00 -1.26 -2.54 120.51 134.47 1j3y n ALA 19 Ca 0.00 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.53 1j3y n ALA 19 Cb 0.00 -1.22 0.48 0.00 0.00 0.00 0.00 19.45 18.70 1j3y n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j3y n HIS 20 N -1.47 0.00 -0.21 0.00 8.25 -0.20 -4.50 115.22 117.09 1j3y n HIS 20 Ca 0.04 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.48 1j3y n HIS 20 Cb 0.15 -0.14 0.05 0.00 1.12 0.00 0.00 29.99 31.18 1j3y n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j3y h ALA 21 N 3.69 0.33 -0.47 -1.41 0.00 -1.59 0.18 119.26 119.99 1j3y h ALA 21 Ca 0.00 0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.20 1j3y h ALA 21 Cb 0.45 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 1j3y h ALA 21 CO 0.00 -0.47 0.15 0.78 0.00 0.00 0.00 179.25 179.71 1j3y h GLY 22 N -0.04 0.60 1.00 0.00 0.00 -1.84 0.12 103.07 102.93 1j3y h GLY 22 Ca 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1j3y h GLY 22 CO -0.65 -0.00 0.40 -2.09 0.00 0.00 0.00 176.54 174.20 1j3y h GLU 23 N 0.31 0.95 -0.23 4.80 4.81 -1.37 -2.23 114.58 121.62 1j3y h GLU 23 Ca 0.22 -0.10 -0.14 0.00 -0.13 0.00 0.00 59.36 59.22 1j3y h GLU 23 Cb 0.24 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1j3y h GLU 23 CO -0.24 0.69 -0.44 1.88 -0.73 0.00 0.00 179.01 180.17 1j3y h TYR 24 N 0.95 0.70 -0.26 0.92 0.05 -0.36 -1.14 116.97 117.83 1j3y h TYR 24 Ca 0.25 -0.21 0.01 0.00 0.05 0.00 0.00 58.73 58.82 1j3y h TYR 24 Cb -0.00 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.57 1j3y h TYR 24 CO -0.01 0.92 0.15 0.78 -1.05 0.00 0.00 178.16 178.95 1j3y h GLY 25 N 1.04 0.35 1.00 3.88 0.00 -0.53 0.32 103.07 109.14 1j3y h GLY 25 Ca 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1j3y h GLY 25 CO 0.09 0.10 0.40 0.00 0.00 0.00 0.00 176.54 177.13 1j3y h ALA 26 N 1.11 0.90 -0.30 3.60 0.00 -1.21 -1.38 119.26 121.98 1j3y h ALA 26 Ca 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1j3y h ALA 26 Cb -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1j3y h ALA 26 CO -0.05 0.40 0.14 1.49 0.00 0.00 0.00 179.25 181.23 1j3y h GLU 27 N 0.96 0.44 -0.80 0.00 4.81 -1.02 -1.61 114.58 117.36 1j3y h GLU 27 Ca 0.25 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.47 1j3y h GLU 27 Cb 0.01 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.26 1j3y h GLU 27 CO -0.04 0.42 0.49 0.00 -0.73 0.00 0.00 179.01 179.15 1j3y h ALA 28 N 1.00 1.08 -0.21 2.92 0.00 -0.64 0.88 119.26 124.30 1j3y h ALA 28 Ca 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1j3y h ALA 28 Cb 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1j3y h ALA 28 CO -0.01 0.24 0.13 -0.07 0.00 0.00 0.00 179.25 179.53 1j3y h LEU 29 N 0.91 0.25 -0.44 0.00 3.38 -1.01 -0.61 115.31 117.80 1j3y h LEU 29 Ca 0.34 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.28 1j3y h LEU 29 Cb 0.13 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1j3y h LEU 29 CO -0.16 0.23 0.26 -0.08 0.09 0.00 0.00 178.44 178.78 1j3y h GLU 30 N 0.26 0.52 -0.81 1.13 4.81 -0.86 0.28 114.58 119.90 1j3y h GLU 30 Ca 0.08 -0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.39 1j3y h GLU 30 Cb 0.02 -0.12 -0.08 0.00 0.63 0.00 0.00 28.75 29.20 1j3y h GLU 30 CO -0.01 0.34 0.43 0.00 -0.73 0.00 0.00 179.01 179.04 1j3y h ARG 31 N 0.53 0.66 -0.26 1.92 3.08 -0.58 -0.73 114.38 119.00 1j3y h ARG 31 Ca 0.17 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 1j3y h ARG 31 Cb -0.00 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1j3y h ARG 31 CO -0.07 0.43 -0.01 1.98 -1.07 0.00 0.00 179.97 181.23 1j3y h MET 32 N 0.68 0.47 -0.81 0.04 4.05 -0.18 0.89 114.93 120.06 1j3y h MET 32 Ca 0.42 -0.15 -0.01 0.00 -0.28 0.00 0.00 59.70 59.67 1j3y h MET 32 Cb 0.50 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.22 1j3y h MET 32 CO -0.31 0.64 0.46 0.74 0.23 0.00 0.00 176.91 178.67 1j3y h PHE 33 N 0.25 1.11 -0.03 1.39 0.04 -0.44 0.82 116.94 120.08 1j3y h PHE 33 Ca 0.07 -0.02 -0.26 0.00 2.80 0.00 0.00 57.97 60.57 1j3y h PHE 33 Cb 0.44 -0.36 0.02 0.00 2.20 0.00 0.00 35.95 38.25 1j3y h PHE 33 CO 0.04 0.76 -0.98 -0.07 -0.60 0.00 0.00 178.31 177.46 1j3y h LEU 34 N 1.13 0.91 0.09 1.54 3.38 -1.10 -3.26 115.31 117.99 1j3y h LEU 34 Ca 0.29 -0.72 -0.26 0.00 0.09 0.00 0.00 57.88 57.28 1j3y h LEU 34 Cb 0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1j3y h LEU 34 CO -0.05 1.51 -1.23 0.28 0.09 0.00 0.00 178.44 179.04 1j3y h SER 35 N 0.40 0.30 -2.71 -0.43 0.02 -0.70 -3.39 113.55 107.04 1j3y h SER 35 Ca -0.11 -0.33 -0.60 0.00 -0.84 0.00 0.00 61.79 59.90 1j3y h SER 35 Cb 1.63 -0.10 -0.40 0.00 0.14 0.00 0.00 62.40 63.68 1j3y h SER 35 CO 0.19 1.26 -0.77 0.49 -1.14 0.00 0.00 176.83 176.87 1j3y n PHE 36 N -3.46 1.24 0.29 3.45 3.72 0.27 -4.99 117.46 117.98 1j3y n PHE 36 Ca -0.07 -3.83 0.18 0.00 -0.05 0.00 0.00 57.45 53.68 1j3y n PHE 36 Cb 1.01 -0.20 0.98 0.00 -0.94 0.00 0.00 39.48 40.32 1j3y n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1j3y h PRO 37 N 5.46 0.00 -0.04 -1.08 0.13 -1.74 -1.12 132.00 133.61 1j3y h PRO 37 Ca 0.21 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.35 1j3y h PRO 37 Cb 0.83 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 1j3y h PRO 37 CO 0.55 0.00 0.04 1.79 -0.23 0.00 0.00 178.00 180.15 1j3y h THR 38 N 0.00 0.60 0.00 1.56 1.35 -1.91 -1.20 112.91 113.31 1j3y h THR 38 Ca 0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.87 1j3y h THR 38 Cb 0.19 0.97 -0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1j3y h THR 38 CO -0.00 0.00 -0.05 0.71 -0.25 0.00 0.00 175.52 175.93 1j3y h THR 39 N 0.00 0.18 0.00 6.82 1.35 -1.51 -1.94 112.91 117.80 1j3y h THR 39 Ca 0.02 -0.43 -0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1j3y h THR 39 Cb 0.09 1.35 -0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1j3y h THR 39 CO -0.00 0.05 -0.01 0.11 -0.25 0.00 0.00 175.52 175.42 1j3y h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.40 -2.34 116.57 119.12 1j3y h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1j3y h LYS 40 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1j3y h LYS 40 CO 0.01 0.01 0.00 1.79 -0.57 0.00 0.00 179.45 180.68 1j3y h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.52 -1.09 112.91 111.49 1j3y h THR 41 Ca -0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1j3y h THR 41 Cb 0.16 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1j3y h THR 41 CO 0.00 0.00 -0.35 -1.22 -0.25 0.00 0.00 175.52 173.70 1j3y n TYR 42 N -2.87 0.00 -2.44 4.73 4.01 -0.88 -4.34 117.16 115.37 1j3y n TYR 42 Ca -0.02 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.56 1j3y n TYR 42 Cb 0.11 -0.28 0.02 0.00 -0.31 0.00 0.00 39.34 38.89 1j3y n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1j3y n PHE 43 N -1.36 2.29 0.32 -0.72 3.01 -0.41 -4.82 117.46 115.77 1j3y n PHE 43 Ca 0.07 -2.53 0.16 0.00 1.01 0.00 0.00 57.45 56.16 1j3y n PHE 43 Cb 0.33 -0.26 0.66 0.00 -0.01 0.00 0.00 39.48 40.21 1j3y n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1j3y h PRO 44 N 2.52 0.00 -0.01 -1.08 0.13 -1.75 -2.29 132.00 129.53 1j3y h PRO 44 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1j3y h PRO 44 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1j3y h PRO 44 CO 0.60 0.00 -0.08 -2.39 -0.23 0.00 0.00 178.00 175.91 1j3y n HIS 45 N -2.78 0.00 -3.98 1.56 1.44 -1.26 -4.84 115.22 105.35 1j3y n HIS 45 Ca 0.01 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.41 1j3y n HIS 45 Cb 0.25 -0.09 -0.05 0.00 0.12 0.00 0.00 29.99 30.22 1j3y n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1j3y s PHE 46 N -2.26 3.37 -0.27 -1.40 0.40 -0.86 -5.08 117.98 111.88 1j3y s PHE 46 Ca 0.34 0.17 -0.28 0.00 -0.60 0.00 0.00 56.93 56.57 1j3y s PHE 46 Cb 0.21 -1.70 0.01 0.00 0.51 0.00 0.00 43.02 42.05 1j3y s PHE 46 CO 0.42 0.56 0.99 0.34 0.70 0.00 0.00 175.22 178.23 1j3y s ASP 47 N -2.45 6.95 -0.09 1.36 2.15 -1.26 -4.92 116.67 118.41 1j3y s ASP 47 Ca 0.32 1.14 0.19 0.00 0.43 0.00 0.00 52.55 54.63 1j3y s ASP 47 Cb -0.13 -2.51 0.70 0.00 -0.30 0.00 0.00 42.92 40.69 1j3y s ASP 47 CO 0.25 -0.71 1.61 0.18 -0.17 0.00 0.00 175.17 176.33 1j3y n LEU 48 N 6.44 4.58 -4.57 -1.34 4.77 -1.26 -4.60 117.00 121.02 1j3y n LEU 48 Ca 0.10 -2.31 -0.42 0.00 -0.03 0.00 0.00 56.01 53.36 1j3y n LEU 48 Cb 0.47 -0.56 0.01 0.00 -2.33 0.00 0.00 43.42 41.00 1j3y n LEU 48 CO 0.53 0.83 0.46 -1.20 -1.33 0.00 0.00 177.39 176.68 1j3y n SER 49 N 1.21 0.75 -4.64 -1.43 7.64 -1.26 -4.88 113.62 111.02 1j3y n SER 49 Ca 0.25 1.02 -0.47 0.00 1.01 0.00 0.00 58.87 60.68 1j3y n SER 49 Cb 0.84 -1.29 -0.04 0.00 -1.01 0.00 0.00 64.21 62.71 1j3y n SER 49 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1j3y n HIS 50 N -0.53 1.92 -0.85 1.43 -0.00 -1.26 -1.37 115.22 114.56 1j3y n HIS 50 Ca 0.10 0.46 0.00 0.00 0.46 0.00 0.00 57.72 58.75 1j3y n HIS 50 Cb 0.38 -2.43 0.00 0.00 -0.12 0.00 0.00 29.99 27.83 1j3y n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1j3y n GLY 51 N 2.58 0.81 3.60 1.57 0.00 -1.26 -5.00 105.19 107.48 1j3y n GLY 51 Ca 0.15 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.67 1j3y n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j3y n SER 52 N 0.00 1.68 -0.20 1.61 2.88 -0.47 -4.86 113.62 114.26 1j3y n SER 52 Ca 0.00 1.13 -0.04 0.00 -1.33 0.00 0.00 58.87 58.63 1j3y n SER 52 Cb 0.00 -1.23 0.15 0.00 -0.75 0.00 0.00 64.21 62.38 1j3y n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j3y h ALA 53 N 4.10 1.18 -0.56 -1.46 0.00 -1.90 -0.53 119.26 120.09 1j3y h ALA 53 Ca -0.45 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 1j3y h ALA 53 Cb 1.33 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1j3y h ALA 53 CO 0.75 0.59 0.21 1.96 0.00 0.00 0.00 179.25 182.76 1j3y h GLN 54 N 0.97 0.85 -0.58 0.00 4.20 -1.90 0.06 115.11 118.71 1j3y h GLN 54 Ca 0.22 -0.16 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 1j3y h GLN 54 Cb 0.22 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1j3y h GLN 54 CO -0.02 0.75 0.01 0.28 -0.67 0.00 0.00 178.83 179.18 1j3y h VAL 55 N 0.77 1.26 -0.35 -0.54 2.07 -1.75 -0.33 116.25 117.38 1j3y h VAL 55 Ca 0.19 -1.12 0.02 0.00 0.82 0.00 0.00 66.70 66.60 1j3y h VAL 55 Cb 0.23 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1j3y h VAL 55 CO -0.01 0.41 0.20 0.11 0.02 0.00 0.00 177.57 178.29 1j3y h LYS 56 N 0.90 0.39 -0.65 1.57 1.57 -0.81 0.19 116.57 119.73 1j3y h LYS 56 Ca 0.16 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 1j3y h LYS 56 Cb 0.54 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 1j3y h LYS 56 CO 0.03 0.26 0.17 0.78 -0.57 0.00 0.00 179.45 180.12 1j3y h GLY 57 N 0.41 1.11 1.09 3.86 0.00 -0.83 -2.12 103.07 106.58 1j3y h GLY 57 Ca 0.14 -0.69 -0.14 0.00 0.00 0.00 0.00 47.33 46.64 1j3y h GLY 57 CO -0.08 0.64 -0.30 0.84 0.00 0.00 0.00 176.54 177.65 1j3y h HIS 58 N 0.96 1.09 -0.92 5.60 -0.00 -0.82 -2.76 115.15 118.29 1j3y h HIS 58 Ca 0.21 -0.30 0.07 0.00 -0.00 0.00 0.00 60.37 60.34 1j3y h HIS 58 Cb 0.34 -0.24 -0.06 0.00 -0.00 0.00 0.00 27.41 27.45 1j3y h HIS 58 CO 0.03 1.11 0.60 0.78 -0.00 0.00 0.00 177.93 180.45 1j3y h GLY 59 N 0.75 1.36 1.00 5.26 0.00 -0.40 -0.69 103.07 110.34 1j3y h GLY 59 Ca 0.08 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 1j3y h GLY 59 CO 0.08 0.30 0.36 1.70 0.00 0.00 0.00 176.54 178.98 1j3y h LYS 60 N 1.05 0.81 -0.45 4.80 1.63 -1.22 -0.54 116.57 122.65 1j3y h LYS 60 Ca 0.40 -0.08 -0.09 0.00 -0.85 0.00 0.00 60.65 60.03 1j3y h LYS 60 Cb 0.21 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 1j3y h LYS 60 CO -0.15 0.59 -0.07 0.87 -3.45 0.00 0.00 179.45 177.23 1j3y h LYS 61 N 0.81 0.84 -0.18 1.90 1.57 -1.05 0.46 116.57 120.91 1j3y h LYS 61 Ca 0.21 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1j3y h LYS 61 Cb -0.01 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1j3y h LYS 61 CO -0.04 0.93 0.10 0.28 -0.57 0.00 0.00 179.45 180.15 1j3y h VAL 62 N 0.68 1.11 -0.58 0.50 2.07 -1.06 -0.75 116.25 118.22 1j3y h VAL 62 Ca 0.12 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1j3y h VAL 62 Cb 0.60 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1j3y h VAL 62 CO 0.04 0.10 0.33 0.00 0.02 0.00 0.00 177.57 178.06 1j3y h ALA 63 N 0.98 0.74 -0.81 1.67 0.00 -0.94 -1.74 119.26 119.17 1j3y h ALA 63 Ca 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1j3y h ALA 63 Cb 0.08 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1j3y h ALA 63 CO -0.01 0.25 0.42 -0.44 0.00 0.00 0.00 179.25 179.47 1j3y h ASP 64 N 0.78 1.03 -0.82 0.00 3.32 -0.73 0.29 116.42 120.29 1j3y h ASP 64 Ca 0.20 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1j3y h ASP 64 Cb 0.03 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.28 1j3y h ASP 64 CO -0.03 0.84 0.52 0.00 -1.72 0.00 0.00 179.24 178.85 1j3y h ALA 65 N 1.32 1.04 -0.48 3.45 0.00 -0.75 -0.98 119.26 122.87 1j3y h ALA 65 Ca 0.28 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1j3y h ALA 65 Cb 0.06 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1j3y h ALA 65 CO -0.04 0.47 0.13 -0.07 0.00 0.00 0.00 179.25 179.74 1j3y h LEU 66 N 1.11 0.71 -0.58 0.00 3.38 -0.80 -0.53 115.31 118.60 1j3y h LEU 66 Ca 0.30 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 58.11 1j3y h LEU 66 Cb -0.09 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.42 1j3y h LEU 66 CO -0.06 0.74 0.29 0.74 0.09 0.00 0.00 178.44 180.24 1j3y h THR 67 N 0.64 0.92 -0.73 0.22 2.02 -0.67 0.11 112.91 115.43 1j3y h THR 67 Ca 0.15 -0.19 -0.05 0.00 0.77 0.00 0.00 66.41 67.10 1j3y h THR 67 Cb 0.30 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 1j3y h THR 67 CO -0.00 0.10 0.26 -1.13 0.37 0.00 0.00 175.52 175.11 1j3y h ASN 68 N 0.54 1.03 -0.78 4.18 -1.24 -1.02 -1.27 115.58 117.03 1j3y h ASN 68 Ca 0.27 -0.19 -0.03 0.00 0.71 0.00 0.00 56.30 57.05 1j3y h ASN 68 Cb 0.20 -0.27 -0.04 0.00 0.73 0.00 0.00 38.32 38.95 1j3y h ASN 68 CO -0.20 0.94 0.36 0.00 -1.29 0.00 0.00 177.43 177.25 1j3y h ALA 69 N 1.13 1.00 -0.54 1.57 0.00 -0.43 -1.22 119.26 120.77 1j3y h ALA 69 Ca 0.24 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1j3y h ALA 69 Cb 0.26 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1j3y h ALA 69 CO -0.01 0.58 0.17 0.28 0.00 0.00 0.00 179.25 180.27 1j3y h VAL 70 N 1.10 1.23 0.00 0.00 2.07 -0.73 0.57 116.25 120.50 1j3y h VAL 70 Ca 0.27 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 1j3y h VAL 70 Cb 0.14 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1j3y h VAL 70 CO -0.03 0.29 -0.19 0.00 0.02 0.00 0.00 177.57 177.66 1j3y h ALA 71 N 1.04 1.38 -0.63 1.67 0.00 -0.93 -2.87 119.26 118.93 1j3y h ALA 71 Ca 0.18 -0.18 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 1j3y h ALA 71 Cb 0.27 -0.03 -0.35 0.00 0.00 0.00 0.00 17.79 17.68 1j3y h ALA 71 CO -0.01 0.24 -0.70 0.72 0.00 0.00 0.00 179.25 179.51 1j3y n HIS 72 N -3.88 2.28 0.28 0.00 8.25 -0.49 -4.85 115.22 116.81 1j3y n HIS 72 Ca -0.02 -2.12 0.17 0.00 -0.26 0.00 0.00 57.72 55.50 1j3y n HIS 72 Cb 0.29 -0.36 0.94 0.00 1.12 0.00 0.00 29.99 31.97 1j3y n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1j3y h VAL 73 N 1.92 0.40 -0.00 1.59 3.04 -0.66 0.46 116.25 122.99 1j3y h VAL 73 Ca 0.31 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.00 1j3y h VAL 73 Cb 1.43 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 31.64 1j3y h VAL 73 CO 0.65 0.00 -0.20 0.47 -1.01 0.00 0.00 177.57 177.49 1j3y n ASP 74 N -3.66 0.26 -2.69 3.17 8.00 -1.26 -4.23 116.55 116.14 1j3y n ASP 74 Ca -0.02 0.04 -0.09 0.00 0.71 0.00 0.00 54.79 55.43 1j3y n ASP 74 Cb 0.17 -0.16 0.05 0.00 -0.02 0.00 0.00 41.12 41.16 1j3y n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1j3y n ASP 75 N -1.40 0.52 -0.04 -2.24 2.03 0.13 -4.99 116.55 110.56 1j3y n ASP 75 Ca 0.08 -2.66 -0.10 0.00 0.52 0.00 0.00 54.79 52.62 1j3y n ASP 75 Cb 0.33 -0.11 0.04 0.00 -0.72 0.00 0.00 41.12 40.66 1j3y n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1j3y h MET 76 N 2.74 0.68 -0.92 -0.67 2.86 -1.66 -1.70 114.93 116.25 1j3y h MET 76 Ca -0.14 -0.40 0.07 0.00 -2.06 0.00 0.00 59.70 57.17 1j3y h MET 76 Cb 1.20 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.83 1j3y h MET 76 CO 0.35 1.01 0.58 -1.35 1.06 0.00 0.00 176.91 178.56 1j3y h PRO 77 N 0.54 1.01 -0.07 -0.22 0.11 -1.94 0.19 132.00 131.63 1j3y h PRO 77 Ca 0.03 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 1j3y h PRO 77 Cb 1.04 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 1j3y h PRO 77 CO 0.10 0.67 -0.07 -0.91 -0.21 0.00 0.00 178.00 177.57 1j3y h ASN 78 N 1.04 0.18 -0.59 -2.05 2.35 -1.94 -2.42 115.58 112.15 1j3y h ASN 78 Ca 0.41 -0.50 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1j3y h ASN 78 Cb 0.21 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 1j3y h ASN 78 CO -0.19 0.64 0.35 0.00 -1.65 0.00 0.00 177.43 176.59 1j3y h ALA 79 N 0.54 1.48 -0.67 -0.83 0.00 -0.94 -2.48 119.26 116.36 1j3y h ALA 79 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1j3y h ALA 79 Cb 0.59 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1j3y h ALA 79 CO 0.02 0.44 0.00 1.28 0.00 0.00 0.00 179.25 180.99 1j3y n LEU 80 N -4.40 4.23 -0.11 0.00 4.77 0.64 -4.64 117.00 117.49 1j3y n LEU 80 Ca 0.06 -2.13 -0.05 0.00 -0.03 0.00 0.00 56.01 53.86 1j3y n LEU 80 Cb 0.08 -0.53 0.02 0.00 -2.33 0.00 0.00 43.42 40.67 1j3y n LEU 80 CO 0.37 0.86 0.89 -1.28 -1.33 0.00 0.00 177.39 176.90 1j3y h SER 81 N 4.05 -0.02 -0.66 -1.43 0.87 -0.94 0.20 113.55 115.61 1j3y h SER 81 Ca 0.00 0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.55 1j3y h SER 81 Cb 1.20 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 63.23 1j3y h SER 81 CO 0.12 0.02 0.10 0.00 -0.53 0.00 0.00 176.83 176.54 1j3y h ALA 82 N 1.29 0.91 -0.12 6.23 0.00 -1.83 -1.00 119.26 124.74 1j3y h ALA 82 Ca 0.18 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 1j3y h ALA 82 Cb 0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1j3y h ALA 82 CO -0.25 0.67 -0.64 1.25 0.00 0.00 0.00 179.25 180.28 1j3y h LEU 83 N 1.03 0.54 -0.28 0.00 5.85 -1.72 -0.60 115.31 120.13 1j3y h LEU 83 Ca 0.20 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1j3y h LEU 83 Cb 0.45 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1j3y h LEU 83 CO 0.01 1.04 0.16 -1.28 -0.34 0.00 0.00 178.44 178.04 1j3y h SER 84 N 0.34 0.34 -0.70 1.25 0.87 -0.39 -0.97 113.55 114.30 1j3y h SER 84 Ca -0.01 -0.06 0.06 0.00 -1.23 0.00 0.00 61.79 60.55 1j3y h SER 84 Cb 1.20 -0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 63.02 1j3y h SER 84 CO 0.11 0.30 0.40 -0.78 -0.53 0.00 0.00 176.83 176.33 1j3y h ASP 85 N 0.35 0.59 -0.34 6.23 1.82 -0.98 -1.36 116.42 122.73 1j3y h ASP 85 Ca 0.10 0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.75 1j3y h ASP 85 Cb 0.03 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 39.93 1j3y h ASP 85 CO -0.02 0.38 0.13 0.25 -1.61 0.00 0.00 179.24 178.37 1j3y h LEU 86 N 0.73 0.48 -0.59 2.28 5.85 -0.72 -1.21 115.31 122.12 1j3y h LEU 86 Ca 0.31 -0.18 -0.13 0.00 0.84 0.00 0.00 57.88 58.73 1j3y h LEU 86 Cb 0.19 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1j3y h LEU 86 CO -0.18 0.53 -0.28 0.45 -0.34 0.00 0.00 178.44 178.61 1j3y h HIS 87 N 0.40 0.95 -0.21 1.25 3.86 -1.02 -0.72 115.15 119.67 1j3y h HIS 87 Ca 0.11 -0.24 -0.16 0.00 -1.16 0.00 0.00 60.37 58.92 1j3y h HIS 87 Cb 0.20 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 1j3y h HIS 87 CO -0.00 1.01 -0.52 0.00 0.86 0.00 0.00 177.93 179.27 1j3y h ALA 88 N 0.98 0.69 0.00 2.45 0.00 -1.04 0.10 119.26 122.44 1j3y h ALA 88 Ca 0.08 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1j3y h ALA 88 Cb 0.82 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1j3y h ALA 88 CO 0.07 0.68 -1.20 0.72 0.00 0.00 0.00 179.25 179.52 1j3y n HIS 89 N -3.98 0.00 -0.09 0.00 8.25 -0.48 -4.44 115.22 114.50 1j3y n HIS 89 Ca -0.03 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.35 1j3y n HIS 89 Cb 0.59 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 31.53 1j3y n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1j3y n LYS 90 N -2.10 0.51 0.03 -0.41 4.81 -0.63 -4.72 118.16 115.66 1j3y n LYS 90 Ca -0.05 0.30 -0.20 0.00 -0.87 0.00 0.00 58.31 57.49 1j3y n LYS 90 Cb 0.59 -1.51 -0.11 0.00 0.02 0.00 0.00 35.03 34.02 1j3y n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1j3y h LEU 91 N -1.00 0.85 -1.09 3.14 3.38 -1.31 -3.48 115.31 115.80 1j3y h LEU 91 Ca -0.01 -0.74 -0.45 0.00 0.09 0.00 0.00 57.88 56.77 1j3y h LEU 91 Cb 0.88 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.38 1j3y h LEU 91 CO -0.01 1.48 -0.76 0.54 0.09 0.00 0.00 178.44 179.79 1j3y n ARG 92 N -3.92 -5.90 -1.97 1.13 1.74 0.35 -4.93 116.66 103.16 1j3y n ARG 92 Ca -0.11 0.65 -0.42 0.00 -0.77 0.00 0.00 57.85 57.20 1j3y n ARG 92 Cb 0.85 -5.52 -0.03 0.00 -1.02 0.00 0.00 32.46 26.73 1j3y n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1j3y s VAL 93 N -3.36 2.70 0.24 1.55 1.01 -1.24 -4.92 120.40 116.37 1j3y s VAL 93 Ca 0.54 0.51 -0.31 0.00 0.00 0.00 0.00 61.98 62.71 1j3y s VAL 93 Cb -0.26 -3.32 -0.13 0.00 0.00 0.00 0.00 36.38 32.66 1j3y s VAL 93 CO 0.81 0.04 1.53 -0.67 0.00 0.00 0.00 175.10 176.81 1j3y n ASP 94 N 3.85 3.28 -0.06 3.32 -0.08 -1.26 -4.83 116.55 120.77 1j3y n ASP 94 Ca 0.13 1.12 0.25 0.00 -1.51 0.00 0.00 54.79 54.78 1j3y n ASP 94 Cb 0.39 -1.49 0.72 0.00 2.34 0.00 0.00 41.12 43.08 1j3y n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1j3y h PRO 95 N 5.00 0.00 -0.45 -0.67 0.11 -1.99 -1.58 132.00 132.43 1j3y h PRO 95 Ca -0.45 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.79 1j3y h PRO 95 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1j3y h PRO 95 CO 0.82 0.00 0.39 -0.24 -0.21 0.00 0.00 178.00 178.75 1j3y h VAL 96 N 0.00 0.56 0.00 3.15 3.04 -2.03 -2.55 116.25 118.42 1j3y h VAL 96 Ca 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.02 1j3y h VAL 96 Cb 1.44 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 1j3y h VAL 96 CO -0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.57 177.34 1j3y h ASN 97 N 0.00 0.00 -0.25 3.17 4.21 -1.63 -3.25 115.58 117.82 1j3y h ASN 97 Ca 0.21 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.66 1j3y h ASN 97 Cb 0.98 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.16 1j3y h ASN 97 CO -0.00 0.00 -0.04 -0.26 -1.29 0.00 0.00 177.43 175.83 1j3y h PHE 98 N 0.00 0.64 0.00 1.19 -1.00 -1.65 -1.52 116.94 114.59 1j3y h PHE 98 Ca 0.00 -0.08 -0.04 0.00 2.81 0.00 0.00 57.97 60.65 1j3y h PHE 98 Cb 0.75 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 40.13 1j3y h PHE 98 CO 0.00 0.64 -0.20 0.87 -1.61 0.00 0.00 178.31 178.00 1j3y h LYS 99 N 0.57 0.00 -0.03 1.51 1.57 -1.76 -0.84 116.57 117.58 1j3y h LYS 99 Ca 0.11 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1j3y h LYS 99 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1j3y h LYS 99 CO 0.02 0.20 -0.10 -0.07 -0.57 0.00 0.00 179.45 178.93 1j3y h LEU 100 N 0.00 0.15 -0.77 2.94 3.38 -1.45 -1.35 115.31 118.21 1j3y h LEU 100 Ca -0.00 -0.62 -0.06 0.00 0.09 0.00 0.00 57.88 57.29 1j3y h LEU 100 Cb 0.44 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1j3y h LEU 100 CO 0.03 0.74 0.25 0.25 0.09 0.00 0.00 178.44 179.80 1j3y h LEU 101 N -0.44 1.10 -0.49 1.67 5.85 -1.38 -2.18 115.31 119.45 1j3y h LEU 101 Ca -0.00 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.57 1j3y h LEU 101 Cb 0.73 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 1j3y h LEU 101 CO 0.02 1.01 0.21 0.28 -0.34 0.00 0.00 178.44 179.62 1j3y h SER 102 N 1.13 0.26 -0.67 1.25 0.02 -1.08 0.21 113.55 114.67 1j3y h SER 102 Ca 0.25 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.21 1j3y h SER 102 Cb 0.29 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 1j3y h SER 102 CO -0.01 0.19 0.28 -0.74 -1.14 0.00 0.00 176.83 175.41 1j3y h HIS 103 N 0.41 1.01 -0.20 3.45 -0.00 -1.02 -0.76 115.15 118.05 1j3y h HIS 103 Ca 0.23 -0.07 -0.11 0.00 -0.00 0.00 0.00 60.37 60.41 1j3y h HIS 103 Cb 0.19 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.28 1j3y h HIS 103 CO -0.13 0.78 -0.36 0.00 -0.00 0.00 0.00 177.93 178.22 1j3y h LEU 105 N 0.36 0.57 -0.33 0.00 3.38 -0.34 -1.59 115.31 117.36 1j3y h LEU 105 Ca 0.04 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.85 1j3y h LEU 105 Cb 0.80 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1j3y h LEU 105 CO 0.06 0.59 0.18 -0.07 0.09 0.00 0.00 178.44 179.29 1j3y h LEU 106 N 0.52 0.29 -0.75 1.67 3.38 -0.64 -0.81 115.31 118.96 1j3y h LEU 106 Ca 0.14 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1j3y h LEU 106 Cb 0.20 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1j3y h LEU 106 CO -0.01 0.21 0.49 0.58 0.09 0.00 0.00 178.44 179.80 1j3y h VAL 107 N 0.37 1.16 -0.45 1.22 2.07 -0.95 0.68 116.25 120.36 1j3y h VAL 107 Ca 0.13 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1j3y h VAL 107 Cb 0.02 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 1j3y h VAL 107 CO -0.07 0.18 0.26 0.74 0.02 0.00 0.00 177.57 178.70 1j3y h THR 108 N 0.99 1.15 -0.43 2.57 2.02 -0.93 -0.42 112.91 117.85 1j3y h THR 108 Ca 0.28 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 1j3y h THR 108 Cb -0.07 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1j3y h THR 108 CO -0.08 0.15 0.15 -0.07 0.37 0.00 0.00 175.52 176.04 1j3y h LEU 109 N 0.60 0.62 -0.88 2.58 3.38 -0.77 -2.38 115.31 118.45 1j3y h LEU 109 Ca 0.16 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 58.03 1j3y h LEU 109 Cb 0.01 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.53 1j3y h LEU 109 CO -0.03 0.65 0.53 0.00 0.09 0.00 0.00 178.44 179.68 1j3y h ALA 110 N 1.00 1.25 0.00 1.53 0.00 -0.50 -0.14 119.26 122.40 1j3y h ALA 110 Ca 0.14 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1j3y h ALA 110 Cb 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1j3y h ALA 110 CO -0.01 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.44 1j3y h ALA 111 N 1.46 1.00 -0.00 0.00 0.00 -0.60 -3.21 119.26 117.90 1j3y h ALA 111 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1j3y h ALA 111 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1j3y h ALA 111 CO -0.23 0.00 -0.38 0.72 0.00 0.00 0.00 179.25 179.36 1j3y n HIS 112 N -2.83 0.00 -3.19 0.00 -0.00 -0.81 -4.79 115.22 103.61 1j3y n HIS 112 Ca 0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.48 1j3y n HIS 112 Cb 0.30 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.23 1j3y n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1j3y n LEU 113 N -1.17 3.27 -0.27 2.41 4.77 -0.13 -4.95 117.00 120.93 1j3y n LEU 113 Ca 0.02 -5.40 0.01 0.00 -0.03 0.00 0.00 56.01 50.61 1j3y n LEU 113 Cb 0.13 -0.31 0.14 0.00 -2.33 0.00 0.00 43.42 41.05 1j3y n LEU 113 CO 0.16 2.20 1.12 1.55 -1.33 0.00 0.00 177.39 181.10 1j3y h PRO 114 N 3.57 0.74 -0.07 3.23 0.13 -1.86 -1.29 132.00 136.45 1j3y h PRO 114 Ca 0.15 -0.04 -0.18 0.00 -0.87 0.00 0.00 66.00 65.05 1j3y h PRO 114 Cb 0.66 -0.17 0.01 0.00 0.13 0.00 0.00 31.00 31.64 1j3y h PRO 114 CO 0.75 0.49 -0.65 0.00 -0.23 0.00 0.00 178.00 178.36 1j3y h ALA 115 N 1.41 0.17 0.00 -0.56 0.00 -1.95 -3.36 119.26 114.97 1j3y h ALA 115 Ca 0.36 -0.56 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 1j3y h ALA 115 Cb 0.28 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1j3y h ALA 115 CO -0.22 0.46 -0.74 0.93 0.00 0.00 0.00 179.25 179.69 1j3y h GLU 116 N 0.17 0.00 -3.03 0.00 3.07 -1.89 -3.39 114.58 109.50 1j3y h GLU 116 Ca -0.06 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.12 1j3y h GLU 116 Cb 1.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 1j3y h GLU 116 CO 0.13 0.55 3.62 0.34 -1.40 0.00 0.00 179.01 182.26 1j3y n PHE 117 N -3.19 2.53 -1.42 4.33 7.35 -0.52 -4.74 117.46 121.79 1j3y n PHE 117 Ca -0.00 -3.05 -0.30 0.00 -0.76 0.00 0.00 57.45 53.34 1j3y n PHE 117 Cb 0.79 -2.42 0.11 0.00 0.35 0.00 0.00 39.48 38.31 1j3y n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1j3y s THR 118 N 1.82 2.85 0.22 -2.13 -4.23 -1.26 -4.76 115.64 108.15 1j3y s THR 118 Ca 0.66 0.28 -0.08 0.00 -1.18 0.00 0.00 61.69 61.37 1j3y s THR 118 Cb 0.18 -2.93 0.18 0.00 1.34 0.00 0.00 72.50 71.27 1j3y s THR 118 CO -0.07 -0.36 1.72 -0.65 -0.54 0.00 0.00 174.62 174.72 1j3y h PRO 119 N -1.28 0.34 -0.75 3.99 0.11 -1.99 0.42 132.00 132.84 1j3y h PRO 119 Ca -0.48 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 1j3y h PRO 119 Cb 1.28 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1j3y h PRO 119 CO 0.58 0.22 0.29 0.00 -0.21 0.00 0.00 178.00 178.88 1j3y h ALA 120 N 1.50 0.97 -0.52 -0.75 0.00 -1.96 -0.92 119.26 117.58 1j3y h ALA 120 Ca 0.35 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1j3y h ALA 120 Cb 0.52 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1j3y h ALA 120 CO -0.39 0.60 -0.11 0.28 0.00 0.00 0.00 179.25 179.63 1j3y h VAL 121 N 1.08 1.27 -0.14 0.00 2.07 -1.73 -1.44 116.25 117.36 1j3y h VAL 121 Ca 0.25 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.55 1j3y h VAL 121 Cb 0.22 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1j3y h VAL 121 CO -0.02 0.44 -0.01 -0.74 0.02 0.00 0.00 177.57 177.26 1j3y h HIS 122 N 0.87 -0.02 -0.49 1.57 6.17 -0.67 0.02 115.15 122.61 1j3y h HIS 122 Ca 0.14 0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.26 1j3y h HIS 122 Cb 0.66 0.03 -0.04 0.00 2.52 0.00 0.00 27.41 30.58 1j3y h HIS 122 CO 0.04 -0.03 0.27 0.00 0.71 0.00 0.00 177.93 178.92 1j3y h ALA 123 N 1.12 0.62 -0.40 5.26 0.00 -0.98 -0.69 119.26 124.19 1j3y h ALA 123 Ca 0.06 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1j3y h ALA 123 Cb 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1j3y h ALA 123 CO -0.12 -0.06 0.11 0.77 0.00 0.00 0.00 179.25 179.95 1j3y h SER 124 N 0.53 0.60 -0.55 0.00 0.02 -0.92 -1.19 113.55 112.04 1j3y h SER 124 Ca 0.20 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1j3y h SER 124 Cb 0.07 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 1j3y h SER 124 CO -0.12 0.66 0.30 -0.07 -1.14 0.00 0.00 176.83 176.47 1j3y h LEU 125 N 0.50 0.68 -0.54 5.07 3.38 -0.83 0.05 115.31 123.62 1j3y h LEU 125 Ca 0.13 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1j3y h LEU 125 Cb 0.29 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 1j3y h LEU 125 CO -0.00 0.58 0.28 -0.78 0.09 0.00 0.00 178.44 178.61 1j3y h ASP 126 N 0.74 0.41 -0.58 -0.43 3.58 -0.93 0.23 116.42 119.43 1j3y h ASP 126 Ca 0.19 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.63 1j3y h ASP 126 Cb 0.04 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 1j3y h ASP 126 CO -0.03 0.28 0.21 0.11 -2.88 0.00 0.00 179.24 176.92 1j3y h LYS 127 N 0.54 0.89 -0.09 0.28 1.57 -0.82 -1.31 116.57 117.62 1j3y h LYS 127 Ca 0.24 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1j3y h LYS 127 Cb 0.14 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1j3y h LYS 127 CO -0.16 0.78 0.06 0.35 -0.57 0.00 0.00 179.45 179.91 1j3y h PHE 128 N 0.81 0.12 -0.60 -1.35 3.57 -0.69 0.44 116.94 119.25 1j3y h PHE 128 Ca 0.19 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.62 1j3y h PHE 128 Cb 0.24 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 1j3y h PHE 128 CO 0.01 0.10 0.10 -0.07 -2.23 0.00 0.00 178.31 176.22 1j3y h LEU 129 N 0.11 0.91 -1.05 0.59 3.38 -0.86 -0.24 115.31 118.14 1j3y h LEU 129 Ca 0.03 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1j3y h LEU 129 Cb 0.01 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1j3y h LEU 129 CO -0.01 0.91 0.32 0.00 0.09 0.00 0.00 178.44 179.75 1j3y h ALA 130 N 1.20 1.26 -0.42 1.53 0.00 -0.99 -1.05 119.26 120.79 1j3y h ALA 130 Ca 0.19 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1j3y h ALA 130 Cb 0.39 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1j3y h ALA 130 CO 0.01 0.57 -0.04 1.03 0.00 0.00 0.00 179.25 180.81 1j3y h SER 131 N 0.98 0.77 -0.80 0.00 0.87 0.09 -0.42 113.55 115.04 1j3y h SER 131 Ca 0.24 -0.33 0.04 0.00 -1.23 0.00 0.00 61.79 60.51 1j3y h SER 131 Cb 0.12 -0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 61.83 1j3y h SER 131 CO -0.03 0.92 0.50 0.58 -0.53 0.00 0.00 176.83 178.27 1j3y h VAL 132 N 0.61 1.10 -0.55 2.23 2.07 -0.94 -1.20 116.25 119.57 1j3y h VAL 132 Ca 0.12 -0.33 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 1j3y h VAL 132 Cb 0.55 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1j3y h VAL 132 CO 0.03 0.18 -0.01 0.28 0.02 0.00 0.00 177.57 178.06 1j3y h SER 133 N 0.97 0.94 -0.11 0.57 0.02 -0.86 0.26 113.55 115.34 1j3y h SER 133 Ca 0.32 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1j3y h SER 133 Cb 0.04 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 1j3y h SER 133 CO -0.12 1.00 0.06 0.74 -1.14 0.00 0.00 176.83 177.37 1j3y h THR 134 N 0.88 1.08 -0.50 -2.27 2.02 -0.68 -1.86 112.91 111.58 1j3y h THR 134 Ca 0.16 -0.23 0.03 0.00 0.77 0.00 0.00 66.41 67.14 1j3y h THR 134 Cb 0.54 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 1j3y h THR 134 CO 0.03 0.08 0.28 0.58 0.37 0.00 0.00 175.52 176.86 1j3y h VAL 135 N 0.09 1.02 0.00 3.16 2.07 -0.85 -2.38 116.25 119.35 1j3y h VAL 135 Ca 0.04 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1j3y h VAL 135 Cb 0.07 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1j3y h VAL 135 CO -0.01 0.10 0.00 0.18 0.02 0.00 0.00 177.57 177.87 1j3y n LEU 136 N -4.83 0.61 -0.46 2.57 4.77 0.05 -2.26 117.00 117.44 1j3y n LEU 136 Ca 0.04 0.66 0.05 0.00 -0.03 0.00 0.00 56.01 56.73 1j3y n LEU 136 Cb 0.09 -0.60 0.09 0.00 -2.33 0.00 0.00 43.42 40.68 1j3y n LEU 136 CO 0.31 -0.58 0.51 0.35 -1.33 0.00 0.00 177.39 176.66 1j3y n THR 137 N -2.18 0.55 0.48 -5.08 -2.24 -0.73 -4.55 114.28 100.52 1j3y n THR 137 Ca 0.02 -0.77 0.11 0.00 -2.27 0.00 0.00 64.05 61.13 1j3y n THR 137 Cb 0.20 0.81 0.45 0.00 -2.10 0.00 0.00 70.33 69.69 1j3y n THR 137 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1j3y n SER 138 N 0.43 0.51 -0.48 3.42 3.41 -0.93 -2.96 113.62 117.01 1j3y n SER 138 Ca 0.08 0.61 0.05 0.00 -0.26 0.00 0.00 58.87 59.35 1j3y n SER 138 Cb 0.32 -0.72 0.13 0.00 -0.26 0.00 0.00 64.21 63.68 1j3y n SER 138 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1j3y n LYS 139 N -2.04 2.81 0.19 4.33 5.02 -1.26 -4.71 118.16 122.49 1j3y n LYS 139 Ca 0.03 -2.08 0.04 0.00 -2.02 0.00 0.00 58.31 54.28 1j3y n LYS 139 Cb 0.25 -1.31 0.37 0.00 -0.02 0.00 0.00 35.03 34.31 1j3y n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1j3y h TYR 140 N 1.36 0.00 0.00 2.13 -1.99 -1.85 -3.46 116.97 113.15 1j3y h TYR 140 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1j3y h TYR 140 Cb 0.81 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.54 1j3y h TYR 140 CO 0.20 0.38 0.00 2.89 -0.00 0.00 0.00 178.16 181.63