#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j7s s LEU 2 N 0.00 4.23 0.92 -0.89 1.43 -1.26 -5.05 118.68 118.06 1j7s s LEU 2 Ca 0.00 1.43 -0.15 0.00 -1.03 0.00 0.00 54.13 54.38 1j7s s LEU 2 Cb 0.00 -3.46 0.17 0.00 0.03 0.00 0.00 46.19 42.93 1j7s s LEU 2 CO 0.00 -0.43 1.28 -0.94 0.23 0.00 0.00 176.35 176.50 1j7s s SER 3 N 1.10 3.50 0.22 2.29 1.04 -1.26 -4.87 113.70 115.72 1j7s s SER 3 Ca 0.45 0.41 -0.08 0.00 0.48 0.00 0.00 55.95 57.22 1j7s s SER 3 Cb -0.18 -0.58 0.18 0.00 0.10 0.00 0.00 66.02 65.55 1j7s s SER 3 CO 0.16 -2.50 1.82 -0.65 0.98 0.00 0.00 173.24 173.05 1j7s h PRO 4 N -1.48 1.21 -0.70 4.02 0.11 -1.99 -0.72 132.00 132.44 1j7s h PRO 4 Ca -0.45 -0.17 -0.05 0.00 0.11 0.00 0.00 66.00 65.45 1j7s h PRO 4 Cb 1.26 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 1j7s h PRO 4 CO 0.46 0.92 0.26 0.00 -0.21 0.00 0.00 178.00 179.43 1j7s h ALA 5 N 1.23 1.13 -0.31 -0.75 0.00 -1.99 0.05 119.26 118.61 1j7s h ALA 5 Ca 0.29 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1j7s h ALA 5 Cb 0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1j7s h ALA 5 CO -0.04 0.62 0.20 -0.44 0.00 0.00 0.00 179.25 179.58 1j7s h ASP 6 N 1.03 0.37 -0.88 0.00 3.32 -1.53 -1.11 116.42 117.61 1j7s h ASP 6 Ca 0.23 -0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.27 1j7s h ASP 6 Cb 0.23 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.64 1j7s h ASP 6 CO -0.02 0.30 0.58 0.11 -1.72 0.00 0.00 179.24 178.49 1j7s h LYS 7 N 0.41 1.10 -0.51 3.56 1.57 -0.76 -0.21 116.57 121.74 1j7s h LYS 7 Ca 0.11 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 1j7s h LYS 7 Cb -0.01 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.03 1j7s h LYS 7 CO -0.02 0.73 -0.10 1.15 -0.57 0.00 0.00 179.45 180.64 1j7s h THR 8 N 1.13 1.26 -0.54 -0.16 2.02 -0.47 -1.75 112.91 114.41 1j7s h THR 8 Ca 0.34 -1.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 1j7s h THR 8 Cb -0.04 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 1j7s h THR 8 CO -0.09 0.43 0.28 0.78 0.37 0.00 0.00 175.52 177.29 1j7s h ASN 9 N 0.84 0.69 -0.02 4.18 2.35 -0.22 -1.50 115.58 121.91 1j7s h ASN 9 Ca 0.14 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1j7s h ASN 9 Cb 0.64 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 1j7s h ASN 9 CO 0.04 0.60 0.01 0.58 -1.65 0.00 0.00 177.43 177.01 1j7s h VAL 10 N 0.72 1.18 -0.74 2.81 2.07 -0.94 -0.41 116.25 120.94 1j7s h VAL 10 Ca 0.19 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.19 1j7s h VAL 10 Cb 0.08 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 1j7s h VAL 10 CO -0.03 0.15 0.49 0.11 0.02 0.00 0.00 177.57 178.31 1j7s h LYS 11 N -0.18 0.90 -0.08 1.57 1.57 -1.23 -0.04 116.57 119.07 1j7s h LYS 11 Ca 0.01 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1j7s h LYS 11 Cb 0.23 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1j7s h LYS 11 CO 0.00 0.60 -0.10 0.00 -0.57 0.00 0.00 179.45 179.38 1j7s h ALA 12 N 1.56 0.13 -0.52 3.86 0.00 -1.19 -0.32 119.26 122.78 1j7s h ALA 12 Ca 0.29 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1j7s h ALA 12 Cb 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1j7s h ALA 12 CO -0.08 -0.03 0.21 0.00 0.00 0.00 0.00 179.25 179.35 1j7s h ALA 13 N 0.55 0.67 0.00 0.00 0.00 -0.81 -2.27 119.26 117.40 1j7s h ALA 13 Ca 0.01 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1j7s h ALA 13 Cb 0.63 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1j7s h ALA 13 CO 0.02 0.28 -0.53 2.35 0.00 0.00 0.00 179.25 181.37 1j7s h TRP 14 N 0.69 0.00 -0.64 0.00 2.91 -0.98 -2.40 115.95 115.53 1j7s h TRP 14 Ca 0.17 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.21 1j7s h TRP 14 Cb 0.20 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 28.81 1j7s h TRP 14 CO 0.01 0.53 0.41 0.78 -1.03 0.00 0.00 178.44 179.13 1j7s h GLY 15 N 1.74 0.90 1.31 2.65 0.00 -0.80 -2.04 103.07 106.82 1j7s h GLY 15 Ca -0.01 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 1j7s h GLY 15 CO 0.07 0.29 -0.08 1.70 0.00 0.00 0.00 176.54 178.52 1j7s h LYS 16 N 0.82 0.82 -0.15 4.80 3.11 -1.02 -2.89 116.57 122.06 1j7s h LYS 16 Ca 0.24 -0.26 0.05 0.00 -2.81 0.00 0.00 60.65 57.87 1j7s h LYS 16 Cb -0.04 -0.07 -0.05 0.00 -1.00 0.00 0.00 32.23 31.06 1j7s h LYS 16 CO -0.07 0.87 -0.16 0.28 -2.81 0.00 0.00 179.45 177.56 1j7s h VAL 17 N 0.75 0.58 0.00 2.00 2.07 -0.95 -3.45 116.25 117.25 1j7s h VAL 17 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1j7s h VAL 17 Cb 0.56 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1j7s h VAL 17 CO 0.03 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.23 1j7s n GLY 18 N -1.30 3.75 0.00 2.17 0.00 -0.82 -1.97 105.19 107.01 1j7s n GLY 18 Ca -0.02 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.05 1j7s n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j7s n ALA 19 N 12.19 2.09 1.39 4.61 0.00 -1.26 -2.80 120.51 136.73 1j7s n ALA 19 Ca 0.00 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.47 1j7s n ALA 19 Cb 0.00 -1.35 0.47 0.00 0.00 0.00 0.00 19.45 18.57 1j7s n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j7s n HIS 20 N -1.32 0.08 -0.24 0.00 -0.00 -0.83 -4.44 115.22 108.47 1j7s n HIS 20 Ca 0.09 -0.04 0.04 0.00 -0.00 0.00 0.00 57.72 57.81 1j7s n HIS 20 Cb 0.18 0.00 0.15 0.00 -0.00 0.00 0.00 29.99 30.33 1j7s n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1j7s h ALA 21 N 4.25 0.82 -0.11 -1.41 0.00 -1.67 -1.26 119.26 119.88 1j7s h ALA 21 Ca 0.00 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1j7s h ALA 21 Cb 0.50 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1j7s h ALA 21 CO 0.00 -0.37 0.06 0.78 0.00 0.00 0.00 179.25 179.72 1j7s h GLY 22 N 0.19 0.16 1.21 0.00 0.00 -1.82 -0.19 103.07 102.62 1j7s h GLY 22 Ca 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1j7s h GLY 22 CO -0.54 0.07 0.49 -2.09 0.00 0.00 0.00 176.54 174.47 1j7s h GLU 23 N 0.11 1.05 -0.27 4.80 4.81 -1.78 -2.46 114.58 120.83 1j7s h GLU 23 Ca 0.04 -0.08 -0.15 0.00 -0.13 0.00 0.00 59.36 59.04 1j7s h GLU 23 Cb 0.04 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 1j7s h GLU 23 CO -0.01 0.72 -0.44 1.88 -0.73 0.00 0.00 179.01 180.43 1j7s h TYR 24 N 1.07 0.82 -0.69 0.92 0.05 -0.94 -2.20 116.97 116.01 1j7s h TYR 24 Ca 0.28 -0.26 -0.06 0.00 0.05 0.00 0.00 58.73 58.75 1j7s h TYR 24 Cb -0.08 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.46 1j7s h TYR 24 CO 0.00 1.00 0.20 0.78 -1.05 0.00 0.00 178.16 179.09 1j7s h GLY 25 N 0.96 1.16 0.91 3.88 0.00 -0.90 -1.13 103.07 107.95 1j7s h GLY 25 Ca 0.04 -0.69 -0.10 0.00 0.00 0.00 0.00 47.33 46.58 1j7s h GLY 25 CO 0.09 0.64 -0.24 0.00 0.00 0.00 0.00 176.54 177.03 1j7s h ALA 26 N 1.18 0.37 -0.84 3.60 0.00 -1.30 -2.39 119.26 119.88 1j7s h ALA 26 Ca 0.22 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1j7s h ALA 26 Cb 0.32 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1j7s h ALA 26 CO -0.00 0.34 0.39 1.49 0.00 0.00 0.00 179.25 181.46 1j7s h GLU 27 N 0.32 1.22 -0.58 0.00 4.81 -1.34 -0.87 114.58 118.14 1j7s h GLU 27 Ca 0.04 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 1j7s h GLU 27 Cb 0.79 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 1j7s h GLU 27 CO 0.06 0.94 0.23 0.00 -0.73 0.00 0.00 179.01 179.51 1j7s h ALA 28 N 1.21 0.75 -0.49 2.92 0.00 -1.08 0.90 119.26 123.47 1j7s h ALA 28 Ca 0.29 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1j7s h ALA 28 Cb 0.14 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1j7s h ALA 28 CO -0.03 0.37 0.32 1.88 0.00 0.00 0.00 179.25 181.78 1j7s h TYR 29 N 0.80 0.60 -0.74 0.00 -1.99 -0.97 -0.78 116.97 113.88 1j7s h TYR 29 Ca 0.19 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.90 1j7s h TYR 29 Cb 0.20 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 38.70 1j7s h TYR 29 CO 0.01 0.36 0.31 1.49 -0.00 0.00 0.00 178.16 180.34 1j7s h GLU 30 N 0.64 1.08 -0.83 4.88 4.81 -0.83 -1.11 114.58 123.22 1j7s h GLU 30 Ca 0.19 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1j7s h GLU 30 Cb -0.04 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.11 1j7s h GLU 30 CO -0.06 0.86 0.54 0.00 -0.73 0.00 0.00 179.01 179.63 1j7s h ARG 31 N 1.06 1.10 -0.25 1.92 3.08 -0.60 -2.48 114.38 118.21 1j7s h ARG 31 Ca 0.25 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 1j7s h ARG 31 Cb 0.17 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1j7s h ARG 31 CO -0.02 0.73 0.04 1.98 -1.07 0.00 0.00 179.97 181.63 1j7s h MET 32 N 1.13 0.41 -0.69 0.04 4.05 -0.37 0.70 114.93 120.19 1j7s h MET 32 Ca 0.30 -0.11 0.04 0.00 -0.28 0.00 0.00 59.70 59.65 1j7s h MET 32 Cb -0.12 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 30.59 1j7s h MET 32 CO -0.06 0.54 0.46 0.74 0.23 0.00 0.00 176.91 178.81 1j7s h PHE 33 N 0.22 0.78 0.18 1.39 0.04 -1.14 0.26 116.94 118.68 1j7s h PHE 33 Ca 0.08 0.02 -0.33 0.00 2.80 0.00 0.00 57.97 60.53 1j7s h PHE 33 Cb 0.33 -0.26 0.01 0.00 2.20 0.00 0.00 35.95 38.23 1j7s h PHE 33 CO 0.02 0.45 -1.61 -0.07 -0.60 0.00 0.00 178.31 176.50 1j7s h LEU 34 N 0.81 0.61 -0.07 1.54 3.38 -1.26 -3.33 115.31 116.98 1j7s h LEU 34 Ca 0.28 -0.81 -0.16 0.00 0.09 0.00 0.00 57.88 57.29 1j7s h LEU 34 Cb 0.11 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1j7s h LEU 34 CO -0.08 1.67 -0.76 0.28 0.09 0.00 0.00 178.44 179.64 1j7s h SER 35 N 0.11 0.00 -2.88 -0.43 0.02 -0.69 -3.40 113.55 106.28 1j7s h SER 35 Ca -0.29 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.06 1j7s h SER 35 Cb 2.09 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 64.24 1j7s h SER 35 CO 0.20 0.76 -0.82 -0.36 -1.14 0.00 0.00 176.83 175.47 1j7s s PHE 36 N -2.88 1.53 0.44 3.45 0.08 0.06 -5.00 117.98 115.66 1j7s s PHE 36 Ca 0.02 -2.26 0.31 0.00 0.12 0.00 0.00 56.93 55.12 1j7s s PHE 36 Cb 0.09 -1.42 1.62 0.00 -0.57 0.00 0.00 43.02 42.74 1j7s s PHE 36 CO 0.78 -0.78 2.13 -1.35 -0.10 0.00 0.00 175.22 175.89 1j7s h PRO 37 N 6.38 0.00 0.00 0.24 0.11 -1.76 -0.82 132.00 136.16 1j7s h PRO 37 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1j7s h PRO 37 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1j7s h PRO 37 CO 0.41 0.08 0.00 1.79 -0.21 0.00 0.00 178.00 180.07 1j7s h THR 38 N 0.00 0.00 0.00 -1.15 1.35 -1.92 -2.23 112.91 108.96 1j7s h THR 38 Ca -0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1j7s h THR 38 Cb 0.27 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1j7s h THR 38 CO 0.01 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.99 1j7s h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.47 -2.82 112.91 116.79 1j7s h THR 39 Ca 0.00 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1j7s h THR 39 Cb 0.32 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1j7s h THR 39 CO 0.00 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.38 1j7s h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.60 -2.84 116.57 118.42 1j7s h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1j7s h LYS 40 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1j7s h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1j7s h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.69 -1.89 112.91 110.51 1j7s h THR 41 Ca 0.00 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1j7s h THR 41 Cb 0.37 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1j7s h THR 41 CO 0.00 0.00 -0.24 -1.22 -0.25 0.00 0.00 175.52 173.81 1j7s n TYR 42 N -2.58 0.00 -2.52 4.73 4.01 -1.07 -4.43 117.16 115.29 1j7s n TYR 42 Ca -0.01 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.55 1j7s n TYR 42 Cb 0.12 -0.11 0.02 0.00 -0.31 0.00 0.00 39.34 39.06 1j7s n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1j7s n PHE 43 N -0.60 2.34 0.25 -0.72 3.72 -0.71 -4.85 117.46 116.89 1j7s n PHE 43 Ca 0.13 -2.80 0.11 0.00 -0.05 0.00 0.00 57.45 54.83 1j7s n PHE 43 Cb 0.35 -0.23 0.63 0.00 -0.94 0.00 0.00 39.48 39.29 1j7s n PHE 43 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1j7s h PRO 44 N 2.68 0.00 -0.21 -1.08 0.13 -1.77 -2.91 132.00 128.84 1j7s h PRO 44 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1j7s h PRO 44 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1j7s h PRO 44 CO 0.65 0.17 0.00 -2.39 -0.23 0.00 0.00 178.00 176.20 1j7s n HIS 45 N -3.68 0.27 -4.11 1.56 1.44 -1.26 -4.90 115.22 104.54 1j7s n HIS 45 Ca -0.02 -0.14 -0.29 0.00 -2.01 0.00 0.00 57.72 55.26 1j7s n HIS 45 Cb 0.29 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.32 1j7s n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1j7s s PHE 46 N -1.73 3.05 -0.34 -1.40 0.40 -1.10 -5.07 117.98 111.79 1j7s s PHE 46 Ca 0.30 -0.01 -0.29 0.00 -0.60 0.00 0.00 56.93 56.34 1j7s s PHE 46 Cb 0.16 -1.54 0.02 0.00 0.51 0.00 0.00 43.02 42.17 1j7s s PHE 46 CO 0.24 0.50 1.10 0.34 0.70 0.00 0.00 175.22 178.10 1j7s s ASP 47 N -2.49 6.87 -0.10 1.36 -1.08 -1.26 -4.91 116.67 115.05 1j7s s ASP 47 Ca 0.28 0.97 0.19 0.00 -0.52 0.00 0.00 52.55 53.46 1j7s s ASP 47 Cb -0.11 -2.54 0.73 0.00 -1.46 0.00 0.00 42.92 39.53 1j7s s ASP 47 CO 0.20 -0.95 1.64 0.18 0.52 0.00 0.00 175.17 176.75 1j7s n LEU 48 N 7.06 4.75 -4.79 -1.34 4.77 -1.26 -4.58 117.00 121.62 1j7s n LEU 48 Ca 0.12 -2.40 -0.33 0.00 -0.03 0.00 0.00 56.01 53.37 1j7s n LEU 48 Cb 0.47 -0.58 0.02 0.00 -2.33 0.00 0.00 43.42 41.00 1j7s n LEU 48 CO 0.61 0.83 0.74 -0.94 -1.33 0.00 0.00 177.39 177.30 1j7s s SER 49 N -0.90 5.60 -0.17 -1.43 1.04 -1.26 -4.88 113.70 111.69 1j7s s SER 49 Ca 0.52 1.96 -0.39 0.00 0.48 0.00 0.00 55.95 58.52 1j7s s SER 49 Cb 0.33 -2.55 -0.16 0.00 0.10 0.00 0.00 66.02 63.73 1j7s s SER 49 CO 0.26 -1.30 1.60 1.57 0.98 0.00 0.00 173.24 176.35 1j7s n HIS 50 N -1.91 1.85 -0.76 5.02 -0.00 -1.26 -1.18 115.22 116.98 1j7s n HIS 50 Ca 0.10 0.60 0.00 0.00 0.46 0.00 0.00 57.72 58.88 1j7s n HIS 50 Cb 0.52 -2.40 0.00 0.00 -0.12 0.00 0.00 29.99 27.99 1j7s n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1j7s n GLY 51 N 3.63 0.72 3.70 1.57 0.00 -1.26 -5.00 105.19 108.55 1j7s n GLY 51 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1j7s n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j7s n SER 52 N 0.00 2.71 0.11 1.61 3.41 -0.32 -4.84 113.62 116.30 1j7s n SER 52 Ca 0.00 1.18 0.03 0.00 -0.26 0.00 0.00 58.87 59.81 1j7s n SER 52 Cb 0.00 -1.49 0.40 0.00 -0.26 0.00 0.00 64.21 62.86 1j7s n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j7s h ALA 53 N 2.41 1.53 -0.55 7.33 0.00 -1.90 -1.54 119.26 126.54 1j7s h ALA 53 Ca -0.47 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.22 1j7s h ALA 53 Cb 1.29 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1j7s h ALA 53 CO 0.62 0.34 0.19 1.96 0.00 0.00 0.00 179.25 182.36 1j7s h GLN 54 N 0.25 0.84 -0.52 0.00 4.20 -1.89 0.75 115.11 118.73 1j7s h GLN 54 Ca 0.05 -0.17 -0.12 0.00 0.06 0.00 0.00 58.65 58.48 1j7s h GLN 54 Cb 0.33 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 1j7s h GLN 54 CO 0.02 0.75 -0.14 0.28 -0.67 0.00 0.00 178.83 179.06 1j7s h VAL 55 N 0.76 1.27 -0.83 -0.54 2.07 -1.71 -1.95 116.25 115.32 1j7s h VAL 55 Ca 0.18 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 1j7s h VAL 55 Cb 0.24 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1j7s h VAL 55 CO -0.01 0.46 0.43 0.11 0.02 0.00 0.00 177.57 178.58 1j7s h LYS 56 N 0.88 1.17 -0.15 1.57 1.57 -1.09 0.30 116.57 120.83 1j7s h LYS 56 Ca 0.13 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.61 1j7s h LYS 56 Cb 0.71 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1j7s h LYS 56 CO 0.05 0.88 -0.55 0.78 -0.57 0.00 0.00 179.45 180.04 1j7s h GLY 57 N 1.16 0.48 1.02 3.86 0.00 -0.67 -2.50 103.07 106.42 1j7s h GLY 57 Ca 0.29 -0.56 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 1j7s h GLY 57 CO -0.04 0.50 0.08 -1.61 0.00 0.00 0.00 176.54 175.46 1j7s h GLN 58 N 0.34 0.93 -0.97 4.80 5.75 -1.03 0.08 115.11 125.01 1j7s h GLN 58 Ca 0.00 -0.26 0.02 0.00 -0.15 0.00 0.00 58.65 58.27 1j7s h GLN 58 Cb 1.07 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 29.47 1j7s h GLN 58 CO 0.10 0.90 0.64 0.78 -2.65 0.00 0.00 178.83 178.60 1j7s h GLY 59 N 0.82 1.38 1.12 2.39 0.00 -0.86 0.60 103.07 108.53 1j7s h GLY 59 Ca 0.17 -0.50 -0.18 0.00 0.00 0.00 0.00 47.33 46.82 1j7s h GLY 59 CO 0.01 0.47 -0.50 1.70 0.00 0.00 0.00 176.54 178.23 1j7s h LYS 60 N 1.29 0.87 -0.68 4.80 3.64 -1.20 -1.52 116.57 123.77 1j7s h LYS 60 Ca 0.36 -0.53 -0.07 0.00 -1.27 0.00 0.00 60.65 59.15 1j7s h LYS 60 Cb -0.11 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1j7s h LYS 60 CO -0.09 1.17 0.17 0.87 -2.27 0.00 0.00 179.45 179.30 1j7s h LYS 61 N 0.66 1.09 -0.33 1.90 1.57 0.09 -1.96 116.57 119.59 1j7s h LYS 61 Ca 0.02 -0.26 -0.10 0.00 -1.87 0.00 0.00 60.65 58.45 1j7s h LYS 61 Cb 1.10 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 1j7s h LYS 61 CO 0.11 0.96 -0.20 0.28 -0.57 0.00 0.00 179.45 180.04 1j7s h VAL 62 N 1.02 1.26 -0.46 0.50 2.07 -0.82 -2.57 116.25 117.24 1j7s h VAL 62 Ca 0.21 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 1j7s h VAL 62 Cb 0.36 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1j7s h VAL 62 CO 0.00 0.41 0.21 0.00 0.02 0.00 0.00 177.57 178.21 1j7s h ALA 63 N 1.23 0.60 -0.52 1.67 0.00 -0.98 -1.61 119.26 119.64 1j7s h ALA 63 Ca 0.09 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1j7s h ALA 63 Cb 0.65 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1j7s h ALA 63 CO 0.05 0.17 0.27 -0.44 0.00 0.00 0.00 179.25 179.29 1j7s h ASP 64 N 0.61 0.39 0.15 0.00 3.32 -1.24 0.53 116.42 120.17 1j7s h ASP 64 Ca 0.16 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.16 1j7s h ASP 64 Cb 0.14 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1j7s h ASP 64 CO -0.02 0.27 -0.29 0.00 -1.72 0.00 0.00 179.24 177.48 1j7s h ALA 65 N 1.28 1.30 -0.48 3.45 0.00 -1.28 0.10 119.26 123.63 1j7s h ALA 65 Ca 0.23 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1j7s h ALA 65 Cb 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1j7s h ALA 65 CO -0.16 0.48 0.03 -0.07 0.00 0.00 0.00 179.25 179.54 1j7s h LEU 66 N 0.20 0.80 -0.26 0.00 4.07 -0.68 -0.83 115.31 118.61 1j7s h LEU 66 Ca 0.03 -0.29 -0.00 0.00 0.08 0.00 0.00 57.88 57.70 1j7s h LEU 66 Cb 0.61 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 1j7s h LEU 66 CO 0.04 0.89 0.15 0.74 -1.08 0.00 0.00 178.44 179.18 1j7s h THR 67 N 0.68 1.11 -0.67 0.22 2.02 -0.44 -0.81 112.91 115.01 1j7s h THR 67 Ca 0.14 -0.27 0.05 0.00 0.77 0.00 0.00 66.41 67.10 1j7s h THR 67 Cb 0.46 0.82 -0.05 0.00 -1.74 0.00 0.00 68.15 67.64 1j7s h THR 67 CO 0.02 0.10 0.39 -1.13 0.37 0.00 0.00 175.52 175.27 1j7s h ASN 68 N 0.31 0.61 0.14 4.18 -1.24 -0.88 -0.80 115.58 117.90 1j7s h ASN 68 Ca 0.09 0.02 -0.11 0.00 0.71 0.00 0.00 56.30 57.01 1j7s h ASN 68 Cb 0.04 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 38.97 1j7s h ASN 68 CO -0.02 0.41 -0.38 0.00 -1.29 0.00 0.00 177.43 176.15 1j7s h ALA 69 N 1.32 1.09 -0.53 1.57 0.00 -0.73 -1.26 119.26 120.72 1j7s h ALA 69 Ca 0.29 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1j7s h ALA 69 Cb 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1j7s h ALA 69 CO -0.15 0.58 -0.04 0.28 0.00 0.00 0.00 179.25 179.92 1j7s h VAL 70 N 0.27 1.26 -0.09 0.00 2.07 -0.66 -0.46 116.25 118.64 1j7s h VAL 70 Ca 0.03 -1.14 -0.09 0.00 0.82 0.00 0.00 66.70 66.32 1j7s h VAL 70 Cb 0.79 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1j7s h VAL 70 CO 0.06 0.40 -0.35 0.00 0.02 0.00 0.00 177.57 177.71 1j7s h ALA 71 N 1.10 1.25 -0.69 1.67 0.00 -0.82 -3.00 119.26 118.77 1j7s h ALA 71 Ca 0.15 -0.36 -0.49 0.00 0.00 0.00 0.00 54.91 54.21 1j7s h ALA 71 Cb 0.56 -0.08 -0.34 0.00 0.00 0.00 0.00 17.79 17.93 1j7s h ALA 71 CO 0.03 0.52 -0.42 0.72 0.00 0.00 0.00 179.25 180.10 1j7s n HIS 72 N -4.09 2.45 0.25 0.00 8.25 -0.51 -4.86 115.22 116.72 1j7s n HIS 72 Ca -0.01 -2.24 0.17 0.00 -0.26 0.00 0.00 57.72 55.37 1j7s n HIS 72 Cb 0.42 -0.55 0.88 0.00 1.12 0.00 0.00 29.99 31.87 1j7s n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1j7s h VAL 73 N 1.76 0.45 -0.01 1.59 3.04 -0.95 -0.21 116.25 121.92 1j7s h VAL 73 Ca 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.06 1j7s h VAL 73 Cb 1.39 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 1j7s h VAL 73 CO 0.81 0.00 -0.15 0.47 -1.01 0.00 0.00 177.57 177.69 1j7s n ASP 74 N -3.76 0.83 -2.73 3.17 8.00 -1.26 -4.30 116.55 116.51 1j7s n ASP 74 Ca -0.01 -0.86 -0.10 0.00 0.71 0.00 0.00 54.79 54.53 1j7s n ASP 74 Cb 0.22 0.03 0.04 0.00 -0.02 0.00 0.00 41.12 41.38 1j7s n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1j7s n ASP 75 N -0.66 0.73 -0.12 -2.24 2.03 -0.12 -5.00 116.55 111.17 1j7s n ASP 75 Ca 0.15 -2.73 -0.13 0.00 0.52 0.00 0.00 54.79 52.59 1j7s n ASP 75 Cb 0.31 -0.23 -0.02 0.00 -0.72 0.00 0.00 41.12 40.46 1j7s n ASP 75 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 1j7s h MET 76 N 2.84 0.90 -0.89 -0.67 4.05 -1.67 -1.36 114.93 118.14 1j7s h MET 76 Ca -0.10 -0.46 0.03 0.00 -0.28 0.00 0.00 59.70 58.88 1j7s h MET 76 Cb 1.17 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.93 1j7s h MET 76 CO 0.40 1.11 0.58 -1.35 0.23 0.00 0.00 176.91 177.89 1j7s h PRO 77 N 0.71 1.10 0.07 0.39 0.11 -1.94 0.26 132.00 132.70 1j7s h PRO 77 Ca 0.06 -0.07 -0.28 0.00 0.11 0.00 0.00 66.00 65.83 1j7s h PRO 77 Cb 0.93 -0.25 0.03 0.00 0.11 0.00 0.00 31.00 31.82 1j7s h PRO 77 CO 0.09 0.73 -1.13 -0.97 -0.21 0.00 0.00 178.00 176.50 1j7s h ASN 78 N 1.13 0.88 1.07 -2.05 -0.73 -1.94 -2.86 115.58 111.08 1j7s h ASN 78 Ca 0.35 -0.79 -0.09 0.00 1.87 0.00 0.00 56.30 57.64 1j7s h ASN 78 Cb -0.02 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.29 1j7s h ASN 78 CO -0.10 1.57 -0.41 0.00 -0.37 0.00 0.00 177.43 178.12 1j7s h ALA 79 N 0.33 0.88 -0.65 1.57 0.00 -0.39 -3.13 119.26 117.87 1j7s h ALA 79 Ca -0.16 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1j7s h ALA 79 Cb 1.80 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1j7s h ALA 79 CO 0.22 0.51 0.00 1.28 0.00 0.00 0.00 179.25 181.26 1j7s n LEU 80 N -3.41 4.08 -0.22 0.00 4.77 0.84 -4.74 117.00 118.32 1j7s n LEU 80 Ca 0.01 -2.17 -0.01 0.00 -0.03 0.00 0.00 56.01 53.81 1j7s n LEU 80 Cb 0.58 -0.49 0.06 0.00 -2.33 0.00 0.00 43.42 41.25 1j7s n LEU 80 CO 0.38 0.89 0.72 -1.28 -1.33 0.00 0.00 177.39 176.77 1j7s h SER 81 N 3.86 -0.67 0.25 -1.43 0.87 -1.45 -0.01 113.55 114.98 1j7s h SER 81 Ca 0.00 0.20 -0.10 0.00 -1.23 0.00 0.00 61.79 60.66 1j7s h SER 81 Cb 1.11 0.43 -0.01 0.00 -0.44 0.00 0.00 62.40 63.49 1j7s h SER 81 CO 0.08 -0.23 -0.38 0.00 -0.53 0.00 0.00 176.83 175.77 1j7s h ALA 82 N 1.59 1.20 -0.21 6.23 0.00 -1.85 -2.13 119.26 124.08 1j7s h ALA 82 Ca 0.31 -0.38 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 1j7s h ALA 82 Cb 0.49 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1j7s h ALA 82 CO -0.68 0.55 -0.69 1.25 0.00 0.00 0.00 179.25 179.68 1j7s h LEU 83 N 0.16 0.96 -1.24 0.00 5.85 -1.47 -2.04 115.31 117.53 1j7s h LEU 83 Ca 0.02 -0.59 -0.07 0.00 0.84 0.00 0.00 57.88 58.08 1j7s h LEU 83 Cb 0.75 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1j7s h LEU 83 CO 0.06 1.39 -0.27 0.77 -0.34 0.00 0.00 178.44 180.05 1j7s h SER 84 N 0.60 0.17 -0.56 1.25 4.64 -0.99 -1.65 113.55 117.01 1j7s h SER 84 Ca -0.03 -0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 61.13 1j7s h SER 84 Cb 1.31 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 1j7s h SER 84 CO 0.15 0.45 -0.07 0.44 -0.87 0.00 0.00 176.83 176.92 1j7s h ASP 85 N 0.16 1.03 -0.17 4.97 3.32 -1.26 -1.76 116.42 122.71 1j7s h ASP 85 Ca 0.02 -0.34 -0.21 0.00 0.02 0.00 0.00 57.03 56.52 1j7s h ASP 85 Cb 0.57 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.85 1j7s h ASP 85 CO 0.04 1.12 -0.73 0.25 -1.72 0.00 0.00 179.24 178.20 1j7s h LEU 86 N 0.91 0.94 -0.21 1.55 5.85 -1.07 -2.06 115.31 121.22 1j7s h LEU 86 Ca 0.15 -0.61 -0.06 0.00 0.84 0.00 0.00 57.88 58.19 1j7s h LEU 86 Cb 0.64 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1j7s h LEU 86 CO 0.04 1.40 -0.10 0.45 -0.34 0.00 0.00 178.44 179.89 1j7s h HIS 87 N 0.54 0.52 -0.78 1.25 3.86 -1.35 -1.27 115.15 117.92 1j7s h HIS 87 Ca -0.04 -0.13 -0.05 0.00 -1.16 0.00 0.00 60.37 58.99 1j7s h HIS 87 Cb 1.36 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 29.67 1j7s h HIS 87 CO 0.09 0.73 0.30 0.00 0.86 0.00 0.00 177.93 179.91 1j7s h ALA 88 N 0.71 1.02 0.00 2.45 0.00 -1.36 0.32 119.26 122.39 1j7s h ALA 88 Ca 0.05 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1j7s h ALA 88 Cb 0.60 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1j7s h ALA 88 CO 0.03 0.66 -1.87 0.72 0.00 0.00 0.00 179.25 178.79 1j7s n HIS 89 N -4.28 0.00 -0.02 0.00 8.25 -0.78 -4.60 115.22 113.80 1j7s n HIS 89 Ca 0.07 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.47 1j7s n HIS 89 Cb 0.19 -0.53 -0.02 0.00 1.12 0.00 0.00 29.99 30.76 1j7s n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1j7s n LYS 90 N -2.27 0.19 0.03 -0.41 4.76 -0.58 -4.84 118.16 115.05 1j7s n LYS 90 Ca -0.12 0.08 -0.20 0.00 -2.87 0.00 0.00 58.31 55.21 1j7s n LYS 90 Cb 0.65 -0.83 -0.10 0.00 -1.84 0.00 0.00 35.03 32.92 1j7s n LYS 90 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1j7s h LEU 91 N -0.35 0.91 -2.15 -0.35 3.38 -1.37 -3.48 115.31 111.90 1j7s h LEU 91 Ca -0.09 -0.71 -0.48 0.00 0.09 0.00 0.00 57.88 56.70 1j7s h LEU 91 Cb 0.66 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1j7s h LEU 91 CO -0.05 1.51 -0.89 0.54 0.09 0.00 0.00 178.44 179.63 1j7s n ARG 92 N -3.87 -3.11 -2.42 1.13 3.00 0.11 -4.93 116.66 106.57 1j7s n ARG 92 Ca -0.10 0.44 -0.42 0.00 -0.01 0.00 0.00 57.85 57.76 1j7s n ARG 92 Cb 0.86 -4.52 -0.03 0.00 0.00 0.00 0.00 32.46 28.77 1j7s n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1j7s s VAL 93 N -3.83 4.01 0.31 1.55 1.01 -1.26 -4.97 120.40 117.23 1j7s s VAL 93 Ca 0.09 1.46 -0.29 0.00 0.00 0.00 0.00 61.98 63.25 1j7s s VAL 93 Cb -0.03 -3.94 -0.13 0.00 0.00 0.00 0.00 36.38 32.28 1j7s s VAL 93 CO 0.87 0.12 1.22 -0.67 0.00 0.00 0.00 175.10 176.65 1j7s n ASP 94 N 3.81 2.32 0.09 3.32 -0.08 -1.26 -4.84 116.55 119.91 1j7s n ASP 94 Ca 0.08 1.19 0.11 0.00 -1.51 0.00 0.00 54.79 54.66 1j7s n ASP 94 Cb 0.46 -1.42 0.44 0.00 2.34 0.00 0.00 41.12 42.95 1j7s n ASP 94 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1j7s n PRO 95 N 0.81 0.15 -0.26 -0.67 -0.02 -1.26 -1.49 135.00 132.26 1j7s n PRO 95 Ca 0.07 0.34 0.06 0.00 -2.02 0.00 0.00 63.50 61.95 1j7s n PRO 95 Cb 0.34 -1.76 0.30 0.00 -0.02 0.00 0.00 33.50 32.36 1j7s n PRO 95 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1j7s h VAL 96 N 0.00 1.01 0.00 -1.45 2.07 -2.04 -2.43 116.25 113.41 1j7s h VAL 96 Ca 0.00 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1j7s h VAL 96 Cb 0.39 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1j7s h VAL 96 CO 0.00 0.16 -0.09 0.78 0.02 0.00 0.00 177.57 178.44 1j7s h ASN 97 N 0.88 0.00 0.16 0.57 4.21 -1.62 -2.83 115.58 116.95 1j7s h ASN 97 Ca 0.37 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.83 1j7s h ASN 97 Cb 0.31 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.50 1j7s h ASN 97 CO -0.14 0.09 -0.22 -0.26 -1.29 0.00 0.00 177.43 175.60 1j7s h PHE 98 N 0.00 0.13 -0.06 1.19 -1.00 -1.61 -2.16 116.94 113.43 1j7s h PHE 98 Ca -0.00 -0.02 -0.11 0.00 2.81 0.00 0.00 57.97 60.65 1j7s h PHE 98 Cb 0.44 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.95 1j7s h PHE 98 CO 0.00 0.35 -0.46 0.87 -1.61 0.00 0.00 178.31 177.46 1j7s h LYS 99 N 0.12 0.13 -0.11 1.51 1.57 -1.65 -2.01 116.57 116.12 1j7s h LYS 99 Ca 0.02 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 1j7s h LYS 99 Cb 0.47 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1j7s h LYS 99 CO 0.03 0.56 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.24 1j7s h LEU 100 N 0.11 0.34 -0.26 2.94 3.38 -1.50 -1.92 115.31 118.39 1j7s h LEU 100 Ca 0.01 -0.53 0.04 0.00 0.09 0.00 0.00 57.88 57.49 1j7s h LEU 100 Cb 0.85 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 1j7s h LEU 100 CO 0.07 0.80 0.04 0.25 0.09 0.00 0.00 178.44 179.69 1j7s h LEU 101 N -0.11 -0.01 -0.47 1.67 6.46 -1.50 -1.89 115.31 119.46 1j7s h LEU 101 Ca 0.01 0.04 0.08 0.00 -0.12 0.00 0.00 57.88 57.90 1j7s h LEU 101 Cb 0.72 0.06 -0.07 0.00 -0.73 0.00 0.00 40.66 40.65 1j7s h LEU 101 CO 0.04 0.03 0.05 0.28 -0.62 0.00 0.00 178.44 178.21 1j7s h SER 102 N 0.14 -0.10 -0.96 1.25 0.02 -1.34 0.52 113.55 113.07 1j7s h SER 102 Ca 0.12 0.10 0.04 0.00 -0.84 0.00 0.00 61.79 61.21 1j7s h SER 102 Cb 0.13 0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.77 1j7s h SER 102 CO -0.17 -0.02 0.62 -0.74 -1.14 0.00 0.00 176.83 175.39 1j7s h HIS 103 N 0.17 1.17 -0.00 3.45 -0.00 -1.18 -0.71 115.15 118.04 1j7s h HIS 103 Ca 0.24 0.03 -0.15 0.00 -0.00 0.00 0.00 60.37 60.48 1j7s h HIS 103 Cb 0.33 -0.39 -0.02 0.00 -0.00 0.00 0.00 27.41 27.33 1j7s h HIS 103 CO -0.26 0.66 -0.73 0.00 -0.00 0.00 0.00 177.93 177.61 1j7s h LEU 105 N 0.01 0.88 -0.84 0.00 7.12 0.29 -1.25 115.31 121.52 1j7s h LEU 105 Ca -0.01 -0.30 -0.00 0.00 0.13 0.00 0.00 57.88 57.70 1j7s h LEU 105 Cb 1.29 -0.24 -0.04 0.00 -0.53 0.00 0.00 40.66 41.14 1j7s h LEU 105 CO 0.10 0.97 0.52 -0.07 -0.13 0.00 0.00 178.44 179.82 1j7s h LEU 106 N 0.77 1.00 -0.90 2.25 3.38 -0.84 0.33 115.31 121.31 1j7s h LEU 106 Ca 0.15 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1j7s h LEU 106 Cb 0.51 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1j7s h LEU 106 CO 0.02 0.76 -0.28 0.58 0.09 0.00 0.00 178.44 179.62 1j7s h VAL 107 N 1.15 1.27 -0.19 1.22 2.07 -0.99 -0.77 116.25 120.01 1j7s h VAL 107 Ca 0.30 -1.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 1j7s h VAL 107 Cb -0.06 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1j7s h VAL 107 CO -0.06 0.42 0.05 0.74 0.02 0.00 0.00 177.57 178.74 1j7s h THR 108 N 0.42 1.20 -0.67 2.57 2.02 -0.62 -1.78 112.91 116.05 1j7s h THR 108 Ca 0.06 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.60 1j7s h THR 108 Cb 0.71 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 1j7s h THR 108 CO 0.05 0.20 0.43 -0.07 0.37 0.00 0.00 175.52 176.51 1j7s h LEU 109 N 0.13 0.78 -0.45 2.58 4.07 -0.73 -2.45 115.31 119.24 1j7s h LEU 109 Ca 0.06 -0.03 0.03 0.00 0.08 0.00 0.00 57.88 58.02 1j7s h LEU 109 Cb 0.26 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 41.77 1j7s h LEU 109 CO 0.00 0.58 0.23 0.00 -1.08 0.00 0.00 178.44 178.18 1j7s h ALA 110 N 1.23 0.57 0.00 1.53 0.00 -0.91 0.14 119.26 121.83 1j7s h ALA 110 Ca 0.24 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1j7s h ALA 110 Cb -0.08 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1j7s h ALA 110 CO -0.05 -0.11 -0.14 0.00 0.00 0.00 0.00 179.25 178.95 1j7s h ALA 111 N 1.24 1.10 0.00 0.00 0.00 -1.07 -3.28 119.26 117.25 1j7s h ALA 111 Ca 0.19 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1j7s h ALA 111 Cb 0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1j7s h ALA 111 CO -0.13 0.18 -1.82 0.72 0.00 0.00 0.00 179.25 178.20 1j7s n HIS 112 N -3.41 0.00 -3.38 0.00 -0.00 -0.94 -4.79 115.22 102.70 1j7s n HIS 112 Ca -0.01 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.41 1j7s n HIS 112 Cb 0.33 -0.54 -0.06 0.00 -0.00 0.00 0.00 29.99 29.71 1j7s n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1j7s n LEU 113 N -2.32 4.27 -0.12 2.41 4.77 0.46 -4.91 117.00 121.55 1j7s n LEU 113 Ca -0.15 -5.38 -0.05 0.00 -0.03 0.00 0.00 56.01 50.41 1j7s n LEU 113 Cb 0.74 -0.81 0.02 0.00 -2.33 0.00 0.00 43.42 41.03 1j7s n LEU 113 CO 0.29 1.95 0.75 1.55 -1.33 0.00 0.00 177.39 180.60 1j7s h PRO 114 N 4.56 -0.05 -0.01 3.23 0.13 -1.83 -2.19 132.00 135.84 1j7s h PRO 114 Ca 0.20 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.12 1j7s h PRO 114 Cb 0.66 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.80 1j7s h PRO 114 CO 0.93 -0.04 -0.87 0.00 -0.23 0.00 0.00 178.00 177.79 1j7s h ALA 115 N 1.31 0.48 0.00 -0.56 0.00 -1.94 -3.34 119.26 115.21 1j7s h ALA 115 Ca 0.20 -0.69 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 1j7s h ALA 115 Cb 0.37 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1j7s h ALA 115 CO -0.46 0.84 -1.21 0.93 0.00 0.00 0.00 179.25 179.35 1j7s h GLU 116 N 0.19 0.00 -3.53 0.00 3.07 -1.96 -3.41 114.58 108.93 1j7s h GLU 116 Ca -0.05 0.00 -0.64 0.00 -0.50 0.00 0.00 59.36 58.16 1j7s h GLU 116 Cb 1.49 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.40 1j7s h GLU 116 CO 0.14 0.27 3.31 0.34 -1.40 0.00 0.00 179.01 181.67 1j7s n PHE 117 N -2.90 2.61 -1.97 4.33 7.35 -0.83 -4.78 117.46 121.27 1j7s n PHE 117 Ca -0.06 -2.79 -0.28 0.00 -0.76 0.00 0.00 57.45 53.55 1j7s n PHE 117 Cb 0.78 -2.34 0.08 0.00 0.35 0.00 0.00 39.48 38.35 1j7s n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1j7s s THR 118 N 2.94 2.28 0.23 -2.13 -4.23 -1.26 -4.79 115.64 108.69 1j7s s THR 118 Ca 0.57 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 61.02 1j7s s THR 118 Cb 0.15 -3.07 0.19 0.00 1.34 0.00 0.00 72.50 71.11 1j7s s THR 118 CO -0.05 -0.09 1.78 -0.65 -0.54 0.00 0.00 174.62 175.07 1j7s h PRO 119 N -0.89 0.62 -0.05 3.99 0.11 -1.99 0.11 132.00 133.91 1j7s h PRO 119 Ca -0.46 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.45 1j7s h PRO 119 Cb 1.32 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1j7s h PRO 119 CO 0.64 0.41 -0.72 0.00 -0.21 0.00 0.00 178.00 178.13 1j7s h ALA 120 N 1.44 0.68 -0.12 -0.75 0.00 -1.96 -1.84 119.26 116.70 1j7s h ALA 120 Ca 0.36 -0.61 -0.20 0.00 0.00 0.00 0.00 54.91 54.46 1j7s h ALA 120 Cb 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1j7s h ALA 120 CO -0.27 0.79 -0.75 0.28 0.00 0.00 0.00 179.25 179.31 1j7s h VAL 121 N 0.19 1.32 -0.18 0.00 2.07 -1.69 -1.40 116.25 116.57 1j7s h VAL 121 Ca -0.02 -2.04 0.04 0.00 0.82 0.00 0.00 66.70 65.50 1j7s h VAL 121 Cb 1.28 2.03 -0.04 0.00 -1.52 0.00 0.00 31.29 33.04 1j7s h VAL 121 CO 0.11 0.63 -0.06 -0.74 0.02 0.00 0.00 177.57 177.53 1j7s h HIS 122 N 0.42 -0.14 -0.05 1.57 6.17 -0.67 0.13 115.15 122.58 1j7s h HIS 122 Ca -0.04 0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.08 1j7s h HIS 122 Cb 1.35 0.09 -0.02 0.00 2.52 0.00 0.00 27.41 31.35 1j7s h HIS 122 CO 0.07 -0.10 -0.07 0.00 0.71 0.00 0.00 177.93 178.53 1j7s h ALA 123 N 1.14 -0.03 -0.78 5.26 0.00 -1.20 -1.92 119.26 121.73 1j7s h ALA 123 Ca 0.09 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1j7s h ALA 123 Cb 0.17 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1j7s h ALA 123 CO -0.20 -0.55 0.40 0.77 0.00 0.00 0.00 179.25 179.67 1j7s h SER 124 N -0.10 1.00 -0.48 0.00 0.02 -0.82 -2.31 113.55 110.86 1j7s h SER 124 Ca 0.05 -0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 60.80 1j7s h SER 124 Cb 0.17 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 1j7s h SER 124 CO -0.11 0.83 0.02 -0.07 -1.14 0.00 0.00 176.83 176.35 1j7s h LEU 125 N 1.09 0.86 -0.54 5.07 3.38 -0.61 0.15 115.31 124.71 1j7s h LEU 125 Ca 0.27 -0.22 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1j7s h LEU 125 Cb 0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1j7s h LEU 125 CO -0.04 0.92 -0.19 -0.78 0.09 0.00 0.00 178.44 178.44 1j7s h ASP 126 N 0.83 1.00 -0.27 -0.43 3.58 -1.16 -0.17 116.42 119.80 1j7s h ASP 126 Ca 0.16 -0.36 -0.13 0.00 0.42 0.00 0.00 57.03 57.11 1j7s h ASP 126 Cb 0.47 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 41.25 1j7s h ASP 126 CO 0.02 1.15 -0.35 0.11 -2.88 0.00 0.00 179.24 177.29 1j7s h LYS 127 N 0.85 0.71 -0.44 0.28 1.57 -1.18 -2.11 116.57 116.25 1j7s h LYS 127 Ca 0.12 -0.41 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 1j7s h LYS 127 Cb 0.76 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 1j7s h LYS 127 CO 0.06 1.03 0.24 0.35 -0.57 0.00 0.00 179.45 180.56 1j7s h PHE 128 N 0.45 0.61 -0.20 -1.35 3.57 -0.63 -1.08 116.94 118.31 1j7s h PHE 128 Ca 0.03 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 1j7s h PHE 128 Cb 0.93 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1j7s h PHE 128 CO 0.08 0.47 -0.24 -0.07 -2.23 0.00 0.00 178.31 176.31 1j7s h LEU 129 N 0.58 0.37 -0.72 0.59 3.38 -0.93 0.15 115.31 118.73 1j7s h LEU 129 Ca 0.16 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1j7s h LEU 129 Cb 0.06 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1j7s h LEU 129 CO -0.02 0.62 0.40 0.00 0.09 0.00 0.00 178.44 179.52 1j7s h ALA 130 N 1.41 0.92 -0.33 1.53 0.00 -1.14 -0.41 119.26 121.24 1j7s h ALA 130 Ca 0.05 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1j7s h ALA 130 Cb 0.61 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1j7s h ALA 130 CO 0.04 0.44 -0.28 0.77 0.00 0.00 0.00 179.25 180.22 1j7s h SER 131 N 0.99 0.71 -0.49 0.00 0.02 -0.37 -0.57 113.55 113.85 1j7s h SER 131 Ca 0.25 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1j7s h SER 131 Cb 0.03 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1j7s h SER 131 CO -0.04 0.95 0.16 0.58 -1.14 0.00 0.00 176.83 177.34 1j7s h VAL 132 N 0.59 1.22 -0.25 2.27 2.07 -0.60 -1.48 116.25 120.08 1j7s h VAL 132 Ca 0.08 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 66.89 1j7s h VAL 132 Cb 0.77 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1j7s h VAL 132 CO 0.06 0.27 0.05 0.28 0.02 0.00 0.00 177.57 178.25 1j7s h SER 133 N 0.65 0.01 -0.65 0.57 0.02 -0.98 0.04 113.55 113.21 1j7s h SER 133 Ca 0.16 0.04 0.08 0.00 -0.84 0.00 0.00 61.79 61.23 1j7s h SER 133 Cb 0.26 0.05 -0.07 0.00 0.14 0.00 0.00 62.40 62.79 1j7s h SER 133 CO -0.01 0.04 0.31 0.74 -1.14 0.00 0.00 176.83 176.77 1j7s h THR 134 N 0.14 0.86 -0.22 -2.27 2.02 -0.96 -1.71 112.91 110.77 1j7s h THR 134 Ca 0.11 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 67.01 1j7s h THR 134 Cb 0.12 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1j7s h THR 134 CO -0.15 0.10 -0.26 0.58 0.37 0.00 0.00 175.52 176.15 1j7s h VAL 135 N 0.55 1.26 0.00 3.16 2.07 -0.56 -1.94 116.25 120.79 1j7s h VAL 135 Ca 0.31 -1.26 -0.04 0.00 0.82 0.00 0.00 66.70 66.53 1j7s h VAL 135 Cb 0.31 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1j7s h VAL 135 CO -0.25 0.40 -0.21 -0.07 0.02 0.00 0.00 177.57 177.46 1j7s h LEU 136 N 0.37 0.00 -2.69 2.57 3.38 -0.37 -2.93 115.31 115.65 1j7s h LEU 136 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1j7s h LEU 136 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1j7s h LEU 136 CO 0.05 0.21 0.00 0.35 0.09 0.00 0.00 178.44 179.14 1j7s n THR 137 N -3.35 0.88 0.24 0.22 -2.24 -0.70 -4.48 114.28 104.83 1j7s n THR 137 Ca 0.00 -0.94 0.09 0.00 -2.27 0.00 0.00 64.05 60.93 1j7s n THR 137 Cb 0.43 0.60 0.60 0.00 -2.10 0.00 0.00 70.33 69.85 1j7s n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1j7s h SER 138 N 2.82 0.00 -0.68 3.42 4.64 -1.15 -3.06 113.55 119.54 1j7s h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j7s h SER 138 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1j7s h SER 138 CO 0.00 0.19 0.00 0.29 -0.87 0.00 0.00 176.83 176.44 1j7s n LYS 139 N -3.85 2.84 -0.18 4.77 5.02 -1.26 -4.59 118.16 120.91 1j7s n LYS 139 Ca -0.02 -2.61 0.10 0.00 -2.02 0.00 0.00 58.31 53.76 1j7s n LYS 139 Cb 0.28 -1.56 0.42 0.00 -0.02 0.00 0.00 35.03 34.15 1j7s n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1j7s h TYR 140 N 3.98 0.66 0.00 2.13 -1.99 -1.85 -3.47 116.97 116.43 1j7s h TYR 140 Ca 0.00 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1j7s h TYR 140 Cb 1.00 -0.21 0.00 0.00 2.00 0.00 0.00 36.73 39.52 1j7s h TYR 140 CO 0.48 0.30 0.00 2.89 -0.00 0.00 0.00 178.16 181.83