#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 4.19 0.78 -0.89 1.43 -1.26 -5.05 118.68 117.88 1j7s s LEU 2 Ca 0.00 0.94 -0.12 0.00 -1.03 0.00 0.00 54.13 53.92 1j7s s LEU 2 Cb 0.00 -2.95 0.06 0.00 0.03 0.00 0.00 46.19 43.33 1j7s s LEU 2 CO 0.00 -0.23 1.12 -0.94 0.23 0.00 0.00 176.35 176.53 1j7s s SER 3 N 1.06 4.71 0.21 2.29 1.04 -1.26 -4.84 113.70 116.91 1j7s s SER 3 Ca 0.31 1.06 -0.10 0.00 0.48 0.00 0.00 55.95 57.71 1j7s s SER 3 Cb -0.16 -1.74 0.26 0.00 0.10 0.00 0.00 66.02 64.48 1j7s s SER 3 CO 0.12 -1.80 1.76 -0.65 0.98 0.00 0.00 173.24 173.65 1j7s h PRO 4 N -0.98 0.44 -0.96 4.02 0.11 -1.99 0.19 132.00 132.84 1j7s h PRO 4 Ca -0.46 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1j7s h PRO 4 Cb 1.29 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 1j7s h PRO 4 CO 0.63 0.29 0.59 0.00 -0.21 0.00 0.00 178.00 179.31 1j7s h ALA 5 N 1.39 1.22 -0.25 -0.75 0.00 -1.99 -0.87 119.26 118.02 1j7s h ALA 5 Ca 0.30 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1j7s h ALA 5 Cb 0.33 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1j7s h ALA 5 CO -0.27 0.66 0.10 -0.44 0.00 0.00 0.00 179.25 179.29 1j7s h ASP 6 N 1.32 0.35 -0.56 0.00 3.32 -1.28 -1.24 116.42 118.33 1j7s h ASP 6 Ca 0.35 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1j7s h ASP 6 Cb -0.08 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 1j7s h ASP 6 CO -0.07 0.42 0.32 0.11 -1.72 0.00 0.00 179.24 178.31 1j7s h LYS 7 N 0.25 0.78 -0.26 3.56 1.57 -0.48 -0.78 116.57 121.22 1j7s h LYS 7 Ca 0.08 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1j7s h LYS 7 Cb 0.19 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1j7s h LYS 7 CO -0.01 0.57 0.00 1.15 -0.57 0.00 0.00 179.45 180.60 1j7s h THR 8 N 0.80 1.25 -0.43 -0.16 2.02 -0.88 -2.26 112.91 113.25 1j7s h THR 8 Ca 0.21 -0.90 0.02 0.00 0.77 0.00 0.00 66.41 66.51 1j7s h THR 8 Cb 0.01 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 1j7s h THR 8 CO -0.04 0.28 0.26 0.78 0.37 0.00 0.00 175.52 177.17 1j7s h ASN 9 N 0.23 0.42 0.33 4.18 2.35 -0.64 -1.46 115.58 120.99 1j7s h ASN 9 Ca 0.07 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1j7s h ASN 9 Cb 0.41 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1j7s h ASN 9 CO 0.01 0.30 -0.16 0.58 -1.65 0.00 0.00 177.43 176.51 1j7s h VAL 10 N 0.52 0.70 -0.61 2.81 2.07 -1.11 -0.43 116.25 120.18 1j7s h VAL 10 Ca 0.17 -0.34 0.11 0.00 0.82 0.00 0.00 66.70 67.46 1j7s h VAL 10 Cb 0.01 0.88 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 1j7s h VAL 10 CO -0.08 0.07 0.17 0.11 0.02 0.00 0.00 177.57 177.86 1j7s h LYS 11 N -0.62 0.31 0.03 1.57 1.57 -1.39 0.14 116.57 118.17 1j7s h LYS 11 Ca -0.04 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1j7s h LYS 11 Cb 0.45 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1j7s h LYS 11 CO 0.07 0.20 -0.04 0.00 -0.57 0.00 0.00 179.45 179.12 1j7s h ALA 12 N 1.47 -0.06 -0.67 3.86 0.00 -1.15 0.19 119.26 122.89 1j7s h ALA 12 Ca 0.32 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 1j7s h ALA 12 Cb 0.46 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1j7s h ALA 12 CO -0.37 -0.54 0.22 0.00 0.00 0.00 0.00 179.25 178.55 1j7s h ALA 13 N 0.89 0.88 -0.21 0.00 0.00 -0.44 -2.67 119.26 117.72 1j7s h ALA 13 Ca 0.01 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1j7s h ALA 13 Cb 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1j7s h ALA 13 CO -0.02 0.55 -0.34 2.35 0.00 0.00 0.00 179.25 181.79 1j7s h TRP 14 N 0.98 0.50 -0.30 0.00 2.91 -0.49 -2.39 115.95 117.16 1j7s h TRP 14 Ca 0.22 -0.13 0.03 0.00 1.13 0.00 0.00 58.89 60.14 1j7s h TRP 14 Cb 0.29 -0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 28.79 1j7s h TRP 14 CO 0.02 0.72 0.11 0.78 -1.03 0.00 0.00 178.44 179.04 1j7s h GLY 15 N 1.08 0.37 1.82 2.65 0.00 -0.41 -2.18 103.07 106.41 1j7s h GLY 15 Ca 0.04 -0.07 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 1j7s h GLY 15 CO 0.06 0.04 -0.30 0.50 0.00 0.00 0.00 176.54 176.84 1j7s h LYS 16 N 0.24 0.21 -0.20 4.80 1.79 -1.11 -2.68 116.57 119.63 1j7s h LYS 16 Ca 0.13 -0.08 0.02 0.00 -2.18 0.00 0.00 60.65 58.54 1j7s h LYS 16 Cb 0.09 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 1j7s h LYS 16 CO -0.13 0.50 0.08 0.28 -1.08 0.00 0.00 179.45 179.10 1j7s h VAL 17 N 0.19 0.96 0.00 0.50 2.07 -0.96 -3.45 116.25 115.55 1j7s h VAL 17 Ca 0.03 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1j7s h VAL 17 Cb 0.64 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1j7s h VAL 17 CO 0.05 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.28 1j7s n GLY 18 N -1.16 3.42 0.00 2.17 0.00 -0.86 -1.65 105.19 107.10 1j7s n GLY 18 Ca -0.03 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 10.92 2.06 1.73 4.61 0.00 -1.26 -2.48 120.51 136.09 1j7s n ALA 19 Ca 0.00 -0.09 0.15 0.00 0.00 0.00 0.00 53.44 53.50 1j7s n ALA 19 Cb 0.00 -1.35 0.77 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.40 0.00 -0.22 0.00 8.25 -0.66 -4.37 115.22 116.82 1j7s n HIS 20 Ca 0.08 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.56 1j7s n HIS 20 Cb 0.22 -0.06 0.14 0.00 1.12 0.00 0.00 29.99 31.41 1j7s n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j7s h ALA 21 N 3.96 0.78 -0.28 -1.41 0.00 -1.60 -0.97 119.26 119.74 1j7s h ALA 21 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1j7s h ALA 21 Cb 0.20 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1j7s h ALA 21 CO 0.00 -0.35 0.18 0.78 0.00 0.00 0.00 179.25 179.86 1j7s h GLY 22 N 0.22 0.39 0.92 0.00 0.00 -1.84 0.02 103.07 102.77 1j7s h GLY 22 Ca 0.36 -0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.57 1j7s h GLY 22 CO -0.49 0.15 0.66 -2.09 0.00 0.00 0.00 176.54 174.77 1j7s h GLU 23 N 0.37 1.26 -0.37 4.80 4.81 -1.76 -2.32 114.58 121.36 1j7s h GLU 23 Ca 0.10 -0.08 -0.16 0.00 -0.13 0.00 0.00 59.36 59.09 1j7s h GLU 23 Cb -0.03 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.06 1j7s h GLU 23 CO -0.02 0.83 -0.40 1.88 -0.73 0.00 0.00 179.01 180.57 1j7s h TYR 24 N 1.30 1.11 -0.80 0.92 0.05 -0.61 -2.29 116.97 116.64 1j7s h TYR 24 Ca 0.39 -0.34 0.05 0.00 0.05 0.00 0.00 58.73 58.88 1j7s h TYR 24 Cb -0.05 -0.23 -0.06 0.00 1.01 0.00 0.00 36.73 37.40 1j7s h TYR 24 CO -0.00 1.16 0.50 0.78 -1.05 0.00 0.00 178.16 179.55 1j7s h GLY 25 N 0.79 1.19 0.71 3.88 0.00 -0.86 -1.27 103.07 107.51 1j7s h GLY 25 Ca 0.06 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1j7s h GLY 25 CO 0.10 0.27 -0.05 0.00 0.00 0.00 0.00 176.54 176.85 1j7s h ALA 26 N 1.37 0.16 -0.88 3.60 0.00 -1.32 -2.57 119.26 119.63 1j7s h ALA 26 Ca 0.34 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1j7s h ALA 26 Cb 0.12 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1j7s h ALA 26 CO -0.16 -0.07 0.54 1.49 0.00 0.00 0.00 179.25 181.06 1j7s h GLU 27 N -0.11 0.95 -0.66 0.00 4.81 -1.35 -1.73 114.58 116.48 1j7s h GLU 27 Ca 0.03 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1j7s h GLU 27 Cb 0.50 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 1j7s h GLU 27 CO 0.02 0.63 0.41 0.00 -0.73 0.00 0.00 179.01 179.33 1j7s h ALA 28 N 1.42 0.84 -0.68 2.92 0.00 -1.15 0.82 119.26 123.43 1j7s h ALA 28 Ca 0.39 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1j7s h ALA 28 Cb 0.20 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1j7s h ALA 28 CO -0.18 0.30 0.35 1.88 0.00 0.00 0.00 179.25 181.59 1j7s h TYR 29 N 0.89 0.95 -0.43 0.00 0.05 -1.13 -0.83 116.97 116.47 1j7s h TYR 29 Ca 0.24 -0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.95 1j7s h TYR 29 Cb -0.05 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.37 1j7s h TYR 29 CO -0.02 0.69 0.12 1.49 -1.05 0.00 0.00 178.16 179.39 1j7s h GLU 30 N 0.94 0.68 -0.55 4.88 4.81 -0.98 -0.03 114.58 124.33 1j7s h GLU 30 Ca 0.24 -0.16 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 1j7s h GLU 30 Cb 0.07 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.31 1j7s h GLU 30 CO -0.03 0.68 0.28 0.00 -0.73 0.00 0.00 179.01 179.20 1j7s h ARG 31 N 0.56 0.52 -0.45 1.92 3.08 -0.72 -2.62 114.38 116.67 1j7s h ARG 31 Ca 0.14 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1j7s h ARG 31 Cb 0.30 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1j7s h ARG 31 CO -0.00 0.35 0.23 1.98 -1.07 0.00 0.00 179.97 181.45 1j7s h MET 32 N 0.54 0.64 -0.61 0.04 4.05 -0.53 -0.20 114.93 118.87 1j7s h MET 32 Ca 0.24 -0.09 -0.05 0.00 -0.28 0.00 0.00 59.70 59.53 1j7s h MET 32 Cb 0.15 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 30.80 1j7s h MET 32 CO -0.17 0.53 0.19 0.74 0.23 0.00 0.00 176.91 178.44 1j7s h PHE 33 N 0.58 0.93 0.16 1.39 0.04 -0.91 0.49 116.94 119.62 1j7s h PHE 33 Ca 0.16 -0.07 -0.30 0.00 2.80 0.00 0.00 57.97 60.55 1j7s h PHE 33 Cb 0.10 -0.28 0.03 0.00 2.20 0.00 0.00 35.95 38.00 1j7s h PHE 33 CO -0.01 0.74 -1.27 -0.07 -0.60 0.00 0.00 178.31 177.10 1j7s h LEU 34 N 0.88 0.85 -0.15 1.54 3.38 -1.36 -3.30 115.31 117.15 1j7s h LEU 34 Ca 0.20 -0.86 -0.23 0.00 0.09 0.00 0.00 57.88 57.08 1j7s h LEU 34 Cb 0.25 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1j7s h LEU 34 CO -0.01 1.62 -0.96 0.28 0.09 0.00 0.00 178.44 179.46 1j7s h SER 35 N 0.19 0.58 -3.08 -0.43 0.02 -0.90 -3.40 113.55 106.53 1j7s h SER 35 Ca -0.20 -0.47 -0.61 0.00 -0.84 0.00 0.00 61.79 59.67 1j7s h SER 35 Cb 1.96 -0.18 -0.40 0.00 0.14 0.00 0.00 62.40 63.92 1j7s h SER 35 CO 0.24 1.27 -0.73 -0.36 -1.14 0.00 0.00 176.83 176.11 1j7s s PHE 36 N -3.26 2.46 0.59 3.45 0.08 0.15 -5.00 117.98 116.46 1j7s s PHE 36 Ca -0.06 -2.82 0.39 0.00 0.12 0.00 0.00 56.93 54.56 1j7s s PHE 36 Cb 0.09 -2.02 2.13 0.00 -0.57 0.00 0.00 43.02 42.65 1j7s s PHE 36 CO 0.87 -0.69 2.30 -1.35 -0.10 0.00 0.00 175.22 176.25 1j7s h PRO 37 N 5.88 0.00 0.00 0.24 0.11 -1.77 -0.97 132.00 135.49 1j7s h PRO 37 Ca 0.12 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 1j7s h PRO 37 Cb 0.85 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 1j7s h PRO 37 CO 0.56 0.01 -0.09 1.79 -0.21 0.00 0.00 178.00 180.06 1j7s h THR 38 N 0.00 0.49 0.00 -1.15 1.35 -1.93 -1.90 112.91 109.77 1j7s h THR 38 Ca -0.00 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1j7s h THR 38 Cb 0.06 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1j7s h THR 38 CO 0.00 0.09 0.00 0.71 -0.25 0.00 0.00 175.52 176.07 1j7s h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.50 -2.54 112.91 117.04 1j7s h THR 39 Ca -0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1j7s h THR 39 Cb 0.28 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1j7s h THR 39 CO 0.01 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.57 1j7s n LYS 40 N -2.62 0.08 0.16 4.72 5.02 -0.71 -2.95 118.16 121.86 1j7s n LYS 40 Ca 0.00 0.34 0.13 0.00 -2.02 0.00 0.00 58.31 56.77 1j7s n LYS 40 Cb 0.21 -1.66 0.53 0.00 -0.02 0.00 0.00 35.03 34.09 1j7s n LYS 40 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1j7s h THR 41 N 0.00 0.00 -0.01 -0.18 1.35 -1.65 -2.26 112.91 110.16 1j7s h THR 41 Ca 0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1j7s h THR 41 Cb 0.28 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1j7s h THR 41 CO 0.00 0.00 -0.19 -1.22 -0.25 0.00 0.00 175.52 173.86 1j7s n TYR 42 N -2.43 0.00 -2.76 4.73 4.01 -1.15 -4.34 117.16 115.22 1j7s n TYR 42 Ca 0.02 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.60 1j7s n TYR 42 Cb 0.25 -0.11 0.01 0.00 -0.31 0.00 0.00 39.34 39.18 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 -0.59 1.62 0.29 -0.72 3.01 -0.85 -4.87 117.46 115.36 1j7s n PHE 43 Ca 0.14 -3.16 0.17 0.00 1.01 0.00 0.00 57.45 55.61 1j7s n PHE 43 Cb 0.34 -0.34 0.86 0.00 -0.01 0.00 0.00 39.48 40.33 1j7s n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1j7s h PRO 44 N 2.92 0.00 -0.26 -1.08 0.13 -1.76 -2.62 132.00 129.33 1j7s h PRO 44 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1j7s h PRO 44 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1j7s h PRO 44 CO 0.59 0.04 0.00 -2.39 -0.23 0.00 0.00 178.00 176.02 1j7s n HIS 45 N -3.27 0.34 -4.16 1.56 1.44 -1.26 -4.92 115.22 104.95 1j7s n HIS 45 Ca -0.01 -0.17 -0.27 0.00 -2.01 0.00 0.00 57.72 55.26 1j7s n HIS 45 Cb 0.21 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.25 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 -1.66 2.95 -0.31 -1.40 0.40 -0.99 -5.08 117.98 111.89 1j7s s PHE 46 Ca 0.28 -0.09 -0.27 0.00 -0.60 0.00 0.00 56.93 56.25 1j7s s PHE 46 Cb 0.15 -1.43 0.01 0.00 0.51 0.00 0.00 43.02 42.26 1j7s s PHE 46 CO 0.21 0.51 0.98 0.34 0.70 0.00 0.00 175.22 177.97 1j7s s ASP 47 N -2.92 6.85 0.00 1.36 -1.08 -1.26 -4.91 116.67 114.70 1j7s s ASP 47 Ca 0.28 0.94 0.21 0.00 -0.52 0.00 0.00 52.55 53.46 1j7s s ASP 47 Cb -0.10 -2.50 0.56 0.00 -1.46 0.00 0.00 42.92 39.42 1j7s s ASP 47 CO 0.20 -0.78 1.47 0.18 0.52 0.00 0.00 175.17 176.75 1j7s n LEU 48 N 6.62 3.71 -4.79 -1.34 4.77 -1.26 -4.60 117.00 120.11 1j7s n LEU 48 Ca 0.09 -1.92 -0.34 0.00 -0.03 0.00 0.00 56.01 53.82 1j7s n LEU 48 Cb 0.47 -0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1j7s n LEU 48 CO 0.56 0.91 0.73 -0.94 -1.33 0.00 0.00 177.39 177.32 1j7s s SER 49 N -1.06 6.01 -0.07 -1.43 1.04 -1.26 -4.91 113.70 112.01 1j7s s SER 49 Ca 0.43 1.94 -0.39 0.00 0.48 0.00 0.00 55.95 58.41 1j7s s SER 49 Cb 0.23 -2.55 -0.17 0.00 0.10 0.00 0.00 66.02 63.63 1j7s s SER 49 CO 0.30 -1.01 1.47 1.57 0.98 0.00 0.00 173.24 176.55 1j7s n HIS 50 N -1.42 1.64 -0.16 5.02 -0.00 -1.26 -1.35 115.22 117.70 1j7s n HIS 50 Ca 0.10 0.66 0.00 0.00 0.46 0.00 0.00 57.72 58.93 1j7s n HIS 50 Cb 0.52 -2.35 0.00 0.00 -0.12 0.00 0.00 29.99 28.04 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 3.09 0.63 3.64 1.57 0.00 -1.26 -5.03 105.19 107.83 1j7s n GLY 51 Ca 0.22 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.79 1j7s n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j7s n SER 52 N 0.00 2.20 0.20 1.61 2.88 -0.45 -4.86 113.62 115.20 1j7s n SER 52 Ca 0.00 1.16 0.06 0.00 -1.33 0.00 0.00 58.87 58.76 1j7s n SER 52 Cb 0.00 -1.37 0.40 0.00 -0.75 0.00 0.00 64.21 62.50 1j7s n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j7s h ALA 53 N 3.41 1.11 -0.48 -1.46 0.00 -1.91 -1.20 119.26 118.73 1j7s h ALA 53 Ca -0.44 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.09 1j7s h ALA 53 Cb 1.30 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1j7s h ALA 53 CO 0.70 0.42 0.01 1.96 0.00 0.00 0.00 179.25 182.34 1j7s h GLN 54 N 0.00 0.84 -0.40 0.00 4.20 -1.89 0.32 115.11 118.18 1j7s h GLN 54 Ca -0.00 -0.26 -0.08 0.00 0.06 0.00 0.00 58.65 58.36 1j7s h GLN 54 Cb 0.77 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 1j7s h GLN 54 CO 0.04 0.88 -0.10 0.28 -0.67 0.00 0.00 178.83 179.26 1j7s h VAL 55 N 0.69 1.25 -0.27 -0.54 2.07 -1.71 -1.38 116.25 116.36 1j7s h VAL 55 Ca 0.14 -1.11 -0.09 0.00 0.82 0.00 0.00 66.70 66.46 1j7s h VAL 55 Cb 0.49 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1j7s h VAL 55 CO 0.02 0.38 -0.21 0.11 0.02 0.00 0.00 177.57 177.88 1j7s h LYS 56 N 0.64 0.51 -0.31 1.57 1.57 -0.97 -1.04 116.57 118.53 1j7s h LYS 56 Ca 0.11 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 1j7s h LYS 56 Cb 0.54 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1j7s h LYS 56 CO 0.03 0.70 -0.26 0.78 -0.57 0.00 0.00 179.45 180.13 1j7s h GLY 57 N 0.99 0.79 1.04 3.86 0.00 -0.47 -2.24 103.07 107.04 1j7s h GLY 57 Ca 0.07 -0.78 -0.05 0.00 0.00 0.00 0.00 47.33 46.57 1j7s h GLY 57 CO 0.04 0.71 0.30 -1.61 0.00 0.00 0.00 176.54 175.99 1j7s h GLN 58 N 0.48 1.17 -0.60 4.80 5.75 -1.17 -1.26 115.11 124.28 1j7s h GLN 58 Ca 0.06 -0.22 -0.02 0.00 -0.15 0.00 0.00 58.65 58.32 1j7s h GLN 58 Cb 0.83 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 29.16 1j7s h GLN 58 CO 0.07 0.95 0.31 0.78 -2.65 0.00 0.00 178.83 178.29 1j7s h GLY 59 N 1.13 0.90 0.94 2.39 0.00 -1.11 -1.00 103.07 106.32 1j7s h GLY 59 Ca 0.26 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 1j7s h GLY 59 CO -0.02 0.40 0.15 1.70 0.00 0.00 0.00 176.54 178.77 1j7s h LYS 60 N 0.81 0.62 -0.55 4.80 1.63 -1.24 0.35 116.57 122.98 1j7s h LYS 60 Ca 0.21 -0.12 0.01 0.00 -0.85 0.00 0.00 60.65 59.90 1j7s h LYS 60 Cb 0.07 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.57 1j7s h LYS 60 CO -0.03 0.60 0.36 0.87 -3.45 0.00 0.00 179.45 177.79 1j7s h LYS 61 N 0.52 0.71 -0.29 1.90 1.57 -0.96 -1.01 116.57 119.00 1j7s h LYS 61 Ca 0.13 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.75 1j7s h LYS 61 Cb 0.22 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1j7s h LYS 61 CO -0.01 0.47 -0.34 0.28 -0.57 0.00 0.00 179.45 179.28 1j7s h VAL 62 N 0.73 1.29 -0.58 0.50 2.07 -0.93 -2.09 116.25 117.23 1j7s h VAL 62 Ca 0.21 -1.48 -0.06 0.00 0.82 0.00 0.00 66.70 66.19 1j7s h VAL 62 Cb -0.06 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1j7s h VAL 62 CO -0.06 0.48 0.11 0.00 0.02 0.00 0.00 177.57 178.12 1j7s h ALA 63 N 1.08 0.76 -0.75 1.67 0.00 -0.52 -2.11 119.26 119.40 1j7s h ALA 63 Ca 0.06 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1j7s h ALA 63 Cb 0.84 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1j7s h ALA 63 CO 0.07 0.49 0.25 -0.44 0.00 0.00 0.00 179.25 179.62 1j7s h ASP 64 N 0.84 1.07 -0.43 0.00 3.32 -1.02 -0.79 116.42 119.41 1j7s h ASP 64 Ca 0.18 -0.19 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 1j7s h ASP 64 Cb 0.39 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1j7s h ASP 64 CO 0.01 0.98 0.08 0.00 -1.72 0.00 0.00 179.24 178.59 1j7s h ALA 65 N 1.16 1.20 -0.05 3.45 0.00 -0.98 -1.50 119.26 122.54 1j7s h ALA 65 Ca 0.24 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 1j7s h ALA 65 Cb 0.29 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1j7s h ALA 65 CO -0.01 0.54 -0.70 -0.07 0.00 0.00 0.00 179.25 179.01 1j7s h LEU 66 N 0.75 0.32 -0.27 0.00 -0.00 -1.06 -0.73 115.31 114.32 1j7s h LEU 66 Ca 0.16 -0.21 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1j7s h LEU 66 Cb 0.34 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 40.89 1j7s h LEU 66 CO 0.01 0.92 0.17 0.74 -0.00 0.00 0.00 178.44 180.27 1j7s h THR 67 N 0.18 1.09 -0.85 0.22 2.02 -0.81 0.13 112.91 114.90 1j7s h THR 67 Ca -0.02 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1j7s h THR 67 Cb 1.25 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 68.36 1j7s h THR 67 CO 0.11 0.09 0.55 -1.13 0.37 0.00 0.00 175.52 175.50 1j7s h ASN 68 N 0.35 0.99 -0.72 4.18 -1.24 -1.00 -1.26 115.58 116.87 1j7s h ASN 68 Ca 0.10 -0.04 -0.06 0.00 0.71 0.00 0.00 56.30 57.01 1j7s h ASN 68 Cb -0.01 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 38.77 1j7s h ASN 68 CO -0.02 0.73 0.21 0.00 -1.29 0.00 0.00 177.43 177.06 1j7s h ALA 69 N 1.30 0.99 -0.51 1.57 0.00 -0.70 -1.85 119.26 120.06 1j7s h ALA 69 Ca 0.31 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1j7s h ALA 69 Cb -0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 1j7s h ALA 69 CO -0.06 0.66 0.20 0.28 0.00 0.00 0.00 179.25 180.33 1j7s h VAL 70 N 1.09 1.22 -0.16 0.00 2.07 -0.36 -1.54 116.25 118.56 1j7s h VAL 70 Ca 0.23 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1j7s h VAL 70 Cb 0.33 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1j7s h VAL 70 CO -0.00 0.26 0.03 0.00 0.02 0.00 0.00 177.57 177.87 1j7s h ALA 71 N 1.05 1.75 -0.72 1.67 0.00 -1.03 -2.98 119.26 119.01 1j7s h ALA 71 Ca 0.17 -0.08 -0.51 0.00 0.00 0.00 0.00 54.91 54.49 1j7s h ALA 71 Cb 0.21 -0.07 -0.36 0.00 0.00 0.00 0.00 17.79 17.56 1j7s h ALA 71 CO -0.01 0.20 -0.49 0.72 0.00 0.00 0.00 179.25 179.67 1j7s n HIS 72 N -4.43 2.54 0.29 0.00 8.25 -0.71 -4.88 115.22 116.27 1j7s n HIS 72 Ca -0.01 -2.26 0.17 0.00 -0.26 0.00 0.00 57.72 55.36 1j7s n HIS 72 Cb 0.14 -0.52 0.96 0.00 1.12 0.00 0.00 29.99 31.69 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 1.84 0.39 -0.21 1.59 3.04 -1.12 0.11 116.25 121.89 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 1.40 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.63 1j7s h VAL 73 CO 0.82 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.85 1j7s n ASP 74 N -3.65 1.92 -2.70 3.17 8.00 -1.26 -4.28 116.55 117.75 1j7s n ASP 74 Ca -0.02 -1.77 -0.07 0.00 0.71 0.00 0.00 54.79 53.65 1j7s n ASP 74 Cb 0.14 -0.13 0.07 0.00 -0.02 0.00 0.00 41.12 41.17 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 0.49 0.28 -0.14 -2.24 2.03 0.36 -5.00 116.55 112.33 1j7s n ASP 75 Ca 0.16 -2.51 -0.09 0.00 0.52 0.00 0.00 54.79 52.88 1j7s n ASP 75 Cb 0.36 0.01 -0.00 0.00 -0.72 0.00 0.00 41.12 40.77 1j7s n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1j7s h MET 76 N 2.51 0.61 -0.85 -0.67 2.86 -1.68 -2.44 114.93 115.26 1j7s h MET 76 Ca -0.18 -0.10 0.04 0.00 -2.06 0.00 0.00 59.70 57.40 1j7s h MET 76 Cb 1.24 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.74 1j7s h MET 76 CO 0.24 0.56 0.56 -1.35 1.06 0.00 0.00 176.91 177.98 1j7s h PRO 77 N 0.52 1.00 0.02 -0.22 0.11 -1.94 0.71 132.00 132.19 1j7s h PRO 77 Ca 0.14 -0.06 -0.23 0.00 0.11 0.00 0.00 66.00 65.96 1j7s h PRO 77 Cb 0.16 -0.22 0.02 0.00 0.11 0.00 0.00 31.00 31.07 1j7s h PRO 77 CO -0.01 0.66 -0.91 -0.97 -0.21 0.00 0.00 178.00 176.56 1j7s h ASN 78 N 1.03 0.77 0.72 -2.05 -1.24 -1.95 -2.57 115.58 110.28 1j7s h ASN 78 Ca 0.35 -0.76 -0.08 0.00 0.71 0.00 0.00 56.30 56.52 1j7s h ASN 78 Cb 0.09 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 38.90 1j7s h ASN 78 CO -0.11 1.43 -0.37 0.00 -1.29 0.00 0.00 177.43 177.09 1j7s h ALA 79 N 0.35 1.07 -0.62 1.57 0.00 -0.87 -2.87 119.26 117.89 1j7s h ALA 79 Ca -0.12 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1j7s h ALA 79 Cb 1.59 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1j7s h ALA 79 CO 0.18 0.46 0.00 1.28 0.00 0.00 0.00 179.25 181.17 1j7s n LEU 80 N -3.64 3.94 -0.11 0.00 4.77 0.17 -4.70 117.00 117.44 1j7s n LEU 80 Ca -0.01 -2.14 -0.05 0.00 -0.03 0.00 0.00 56.01 53.78 1j7s n LEU 80 Cb 0.48 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 41.12 1j7s n LEU 80 CO 0.37 0.88 0.79 -1.28 -1.33 0.00 0.00 177.39 176.82 1j7s h SER 81 N 3.68 -0.38 -0.67 -1.43 0.87 -1.22 -0.44 113.55 113.96 1j7s h SER 81 Ca 0.00 0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 1j7s h SER 81 Cb 1.07 0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 63.24 1j7s h SER 81 CO 0.06 -0.13 0.21 0.00 -0.53 0.00 0.00 176.83 176.44 1j7s h ALA 82 N 1.35 1.07 -0.40 6.23 0.00 -1.84 -1.77 119.26 123.91 1j7s h ALA 82 Ca 0.18 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1j7s h ALA 82 Cb 0.29 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1j7s h ALA 82 CO -0.39 0.63 -0.09 1.25 0.00 0.00 0.00 179.25 180.65 1j7s h LEU 83 N 1.02 0.67 -0.49 0.00 5.85 -1.58 -2.09 115.31 118.68 1j7s h LEU 83 Ca 0.22 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1j7s h LEU 83 Cb 0.29 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1j7s h LEU 83 CO -0.01 0.80 0.14 0.28 -0.34 0.00 0.00 178.44 179.31 1j7s h SER 84 N 0.63 0.72 -0.29 1.25 0.02 -0.86 -1.51 113.55 113.51 1j7s h SER 84 Ca 0.11 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1j7s h SER 84 Cb 0.53 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1j7s h SER 84 CO 0.03 0.75 0.19 0.44 -1.14 0.00 0.00 176.83 177.10 1j7s h ASP 85 N 0.66 0.34 -0.48 3.07 3.32 -1.16 -1.78 116.42 120.38 1j7s h ASP 85 Ca 0.16 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1j7s h ASP 85 Cb 0.29 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1j7s h ASP 85 CO -0.00 0.24 0.20 0.25 -1.72 0.00 0.00 179.24 178.21 1j7s h LEU 86 N 0.40 0.66 -0.25 1.55 5.85 -1.23 -0.85 115.31 121.43 1j7s h LEU 86 Ca 0.11 -0.16 -0.20 0.00 0.84 0.00 0.00 57.88 58.46 1j7s h LEU 86 Cb -0.04 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.82 1j7s h LEU 86 CO -0.02 0.64 -0.67 0.45 -0.34 0.00 0.00 178.44 178.50 1j7s h HIS 87 N 0.63 1.06 -0.14 1.25 3.86 -1.27 -2.02 115.15 118.52 1j7s h HIS 87 Ca 0.16 -0.42 -0.00 0.00 -1.16 0.00 0.00 60.37 58.95 1j7s h HIS 87 Cb 0.19 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 1j7s h HIS 87 CO 0.00 1.25 0.08 0.00 0.86 0.00 0.00 177.93 180.12 1j7s h ALA 88 N 0.65 0.17 0.00 2.45 0.00 -1.09 0.28 119.26 121.72 1j7s h ALA 88 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1j7s h ALA 88 Cb 1.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1j7s h ALA 88 CO 0.14 -0.31 -1.01 0.72 0.00 0.00 0.00 179.25 178.79 1j7s n HIS 89 N -4.96 0.00 0.03 0.00 8.25 -0.34 -4.50 115.22 113.69 1j7s n HIS 89 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1j7s n HIS 89 Cb 0.06 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.04 1j7s n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1j7s n LYS 90 N -1.57 0.00 -0.08 -0.41 4.81 -0.95 -4.88 118.16 115.08 1j7s n LYS 90 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 1j7s n LYS 90 Cb 0.24 -0.47 -0.05 0.00 0.02 0.00 0.00 35.03 34.77 1j7s n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1j7s h LEU 91 N 0.00 0.75 -1.65 3.14 3.38 -1.50 -3.47 115.31 115.95 1j7s h LEU 91 Ca 0.00 -0.51 -0.44 0.00 0.09 0.00 0.00 57.88 57.02 1j7s h LEU 91 Cb 0.45 -0.21 0.03 0.00 0.09 0.00 0.00 40.66 41.02 1j7s h LEU 91 CO 0.00 1.11 -0.82 0.54 0.09 0.00 0.00 178.44 179.36 1j7s n ARG 92 N -4.23 -4.83 -2.18 1.13 1.74 1.00 -4.93 116.66 104.35 1j7s n ARG 92 Ca -0.05 0.59 -0.42 0.00 -0.77 0.00 0.00 57.85 57.20 1j7s n ARG 92 Cb 0.52 -5.16 -0.03 0.00 -1.02 0.00 0.00 32.46 26.77 1j7s n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1j7s s VAL 93 N -3.64 3.53 0.34 1.55 1.01 -1.26 -4.98 120.40 116.95 1j7s s VAL 93 Ca 0.12 1.00 -0.29 0.00 0.00 0.00 0.00 61.98 62.81 1j7s s VAL 93 Cb -0.06 -3.64 -0.12 0.00 0.00 0.00 0.00 36.38 32.56 1j7s s VAL 93 CO 0.82 0.03 1.48 -0.67 0.00 0.00 0.00 175.10 176.76 1j7s n ASP 94 N 4.88 3.57 -0.26 3.32 -0.08 -1.26 -4.86 116.55 121.87 1j7s n ASP 94 Ca 0.13 1.20 0.17 0.00 -1.51 0.00 0.00 54.79 54.77 1j7s n ASP 94 Cb 0.43 -1.58 0.47 0.00 2.34 0.00 0.00 41.12 42.78 1j7s n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1j7s h PRO 95 N 3.50 0.48 -0.89 -0.67 0.11 -2.01 -1.95 132.00 130.58 1j7s h PRO 95 Ca -0.48 -0.03 0.22 0.00 0.11 0.00 0.00 66.00 65.81 1j7s h PRO 95 Cb 1.25 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 1j7s h PRO 95 CO 0.69 0.32 0.60 -0.39 -0.21 0.00 0.00 178.00 179.01 1j7s h VAL 96 N 0.50 0.65 0.00 3.15 -1.51 -2.03 -0.86 116.25 116.14 1j7s h VAL 96 Ca 0.47 -0.10 -0.05 0.00 -1.23 0.00 0.00 66.70 65.80 1j7s h VAL 96 Cb 1.05 0.32 -0.01 0.00 -2.13 0.00 0.00 31.29 30.52 1j7s h VAL 96 CO -0.20 0.05 -0.21 0.78 -1.23 0.00 0.00 177.57 176.76 1j7s h ASN 97 N 0.30 0.00 -0.43 4.19 4.21 -1.71 -2.61 115.58 119.54 1j7s h ASN 97 Ca 0.45 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.88 1j7s h ASN 97 Cb 1.30 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.48 1j7s h ASN 97 CO -0.14 0.21 -0.03 -0.26 -1.29 0.00 0.00 177.43 175.93 1j7s h PHE 98 N 0.00 0.91 0.00 1.19 0.04 -1.31 -1.95 116.94 115.82 1j7s h PHE 98 Ca -0.00 -0.14 -0.06 0.00 2.80 0.00 0.00 57.97 60.56 1j7s h PHE 98 Cb 0.60 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 1j7s h PHE 98 CO 0.00 0.85 -0.28 1.57 -0.60 0.00 0.00 178.31 179.85 1j7s h LYS 99 N 0.78 0.00 -0.02 1.51 2.10 -1.56 -2.02 116.57 117.36 1j7s h LYS 99 Ca 0.14 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.54 1j7s h LYS 99 Cb 0.51 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.86 1j7s h LYS 99 CO 0.03 0.28 -0.98 -0.07 -2.00 0.00 0.00 179.45 176.71 1j7s h LEU 100 N 0.00 0.80 -0.40 7.07 3.38 -1.35 -1.77 115.31 123.04 1j7s h LEU 100 Ca -0.00 -0.62 -0.18 0.00 0.09 0.00 0.00 57.88 57.17 1j7s h LEU 100 Cb 0.62 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1j7s h LEU 100 CO 0.04 1.42 -0.57 0.25 0.09 0.00 0.00 178.44 179.67 1j7s h LEU 101 N 0.36 0.79 -0.52 1.67 6.46 -1.37 -2.15 115.31 120.55 1j7s h LEU 101 Ca -0.11 -0.43 0.00 0.00 -0.12 0.00 0.00 57.88 57.23 1j7s h LEU 101 Cb 1.62 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 41.30 1j7s h LEU 101 CO 0.19 1.19 0.34 0.28 -0.62 0.00 0.00 178.44 179.81 1j7s h SER 102 N 0.54 0.61 -0.86 1.25 0.02 -1.36 0.38 113.55 114.13 1j7s h SER 102 Ca 0.01 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1j7s h SER 102 Cb 1.15 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.49 1j7s h SER 102 CO 0.12 0.46 0.47 -0.74 -1.14 0.00 0.00 176.83 175.99 1j7s h HIS 103 N 0.71 1.20 -0.23 3.45 -0.00 -1.20 -1.67 115.15 117.40 1j7s h HIS 103 Ca 0.19 -0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 60.39 1j7s h HIS 103 Cb -0.06 -0.38 -0.01 0.00 -0.00 0.00 0.00 27.41 26.96 1j7s h HIS 103 CO -0.03 0.83 -0.42 0.00 -0.00 0.00 0.00 177.93 178.31 1j7s h LEU 105 N 0.46 -0.35 -0.63 0.00 4.07 -0.00 -0.89 115.31 117.97 1j7s h LEU 105 Ca 0.04 0.12 0.02 0.00 0.08 0.00 0.00 57.88 58.13 1j7s h LEU 105 Cb 0.92 0.24 -0.04 0.00 1.08 0.00 0.00 40.66 42.86 1j7s h LEU 105 CO 0.08 -0.12 0.40 -0.07 -1.08 0.00 0.00 178.44 177.65 1j7s h LEU 106 N 0.01 0.68 -0.80 1.67 3.38 -0.62 0.22 115.31 119.85 1j7s h LEU 106 Ca 0.19 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.16 1j7s h LEU 106 Cb 0.29 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1j7s h LEU 106 CO -0.40 0.48 0.53 0.58 0.09 0.00 0.00 178.44 179.72 1j7s h VAL 107 N 0.81 1.21 -0.14 1.22 2.07 -1.00 0.87 116.25 121.28 1j7s h VAL 107 Ca 0.24 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1j7s h VAL 107 Cb -0.03 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1j7s h VAL 107 CO -0.08 0.20 0.03 0.74 0.02 0.00 0.00 177.57 178.48 1j7s h THR 108 N 1.08 1.21 -0.45 2.57 2.02 -0.12 -0.95 112.91 118.27 1j7s h THR 108 Ca 0.29 -0.66 0.02 0.00 0.77 0.00 0.00 66.41 66.83 1j7s h THR 108 Cb -0.13 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1j7s h THR 108 CO -0.06 0.20 0.27 -0.07 0.37 0.00 0.00 175.52 176.22 1j7s h LEU 109 N 0.02 0.43 -0.98 2.58 4.07 -0.27 -2.83 115.31 118.32 1j7s h LEU 109 Ca 0.04 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.99 1j7s h LEU 109 Cb 0.28 -0.08 -0.04 0.00 1.08 0.00 0.00 40.66 41.90 1j7s h LEU 109 CO 0.00 0.30 0.42 0.00 -1.08 0.00 0.00 178.44 178.08 1j7s h ALA 110 N 1.20 1.22 0.00 1.53 0.00 -0.38 0.03 119.26 122.85 1j7s h ALA 110 Ca 0.18 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1j7s h ALA 110 Cb 0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1j7s h ALA 110 CO -0.09 0.62 -0.25 0.00 0.00 0.00 0.00 179.25 179.53 1j7s h ALA 111 N 1.32 1.14 0.00 0.00 0.00 -0.97 -3.30 119.26 117.46 1j7s h ALA 111 Ca 0.28 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1j7s h ALA 111 Cb 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1j7s h ALA 111 CO -0.04 0.31 -1.65 0.72 0.00 0.00 0.00 179.25 178.59 1j7s n HIS 112 N -3.60 0.00 -2.94 0.00 -0.00 -1.09 -4.77 115.22 102.83 1j7s n HIS 112 Ca -0.01 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.44 1j7s n HIS 112 Cb 0.39 -0.33 -0.04 0.00 -0.00 0.00 0.00 29.99 30.01 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 -2.00 4.59 -0.21 2.41 4.32 -0.02 -4.95 117.00 121.14 1j7s n LEU 113 Ca -0.03 -5.67 0.06 0.00 -0.02 0.00 0.00 56.01 50.35 1j7s n LEU 113 Cb 0.38 -0.59 0.34 0.00 -1.62 0.00 0.00 43.42 41.93 1j7s n LEU 113 CO 0.30 2.34 1.22 1.55 -1.22 0.00 0.00 177.39 181.58 1j7s h PRO 114 N 3.05 0.77 -0.09 3.23 0.13 -1.82 -2.15 132.00 135.12 1j7s h PRO 114 Ca 0.15 -0.05 -0.21 0.00 -0.87 0.00 0.00 66.00 65.02 1j7s h PRO 114 Cb 0.50 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.46 1j7s h PRO 114 CO 0.83 0.51 -0.80 0.00 -0.23 0.00 0.00 178.00 178.31 1j7s h ALA 115 N 1.59 0.41 0.00 -0.56 0.00 -1.94 -3.29 119.26 115.47 1j7s h ALA 115 Ca 0.34 -0.62 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 1j7s h ALA 115 Cb 0.28 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1j7s h ALA 115 CO -0.12 0.73 -0.54 0.93 0.00 0.00 0.00 179.25 180.25 1j7s h GLU 116 N 0.39 0.00 -3.21 0.00 3.07 -1.92 -3.40 114.58 109.51 1j7s h GLU 116 Ca -0.05 0.00 -0.61 0.00 -0.50 0.00 0.00 59.36 58.20 1j7s h GLU 116 Cb 1.41 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 29.34 1j7s h GLU 116 CO 0.15 0.35 3.50 0.34 -1.40 0.00 0.00 179.01 181.95 1j7s n PHE 117 N -3.13 2.26 -1.47 4.33 7.35 -0.83 -4.78 117.46 121.19 1j7s n PHE 117 Ca 0.01 -2.81 -0.31 0.00 -0.76 0.00 0.00 57.45 53.58 1j7s n PHE 117 Cb 0.70 -2.30 0.07 0.00 0.35 0.00 0.00 39.48 38.30 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 2.59 3.59 0.28 -2.13 -4.23 -1.26 -4.79 115.64 109.69 1j7s s THR 118 Ca 0.61 0.52 0.03 0.00 -1.18 0.00 0.00 61.69 61.66 1j7s s THR 118 Cb 0.16 -3.18 0.27 0.00 1.34 0.00 0.00 72.50 71.09 1j7s s THR 118 CO -0.05 -0.67 1.73 -0.65 -0.54 0.00 0.00 174.62 174.43 1j7s h PRO 119 N -0.94 0.50 -0.34 3.99 0.11 -1.99 0.38 132.00 133.71 1j7s h PRO 119 Ca -0.45 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 1j7s h PRO 119 Cb 1.23 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1j7s h PRO 119 CO 0.56 0.33 -0.19 0.00 -0.21 0.00 0.00 178.00 178.49 1j7s h ALA 120 N 1.65 0.48 -0.15 -0.75 0.00 -1.96 -1.59 119.26 116.94 1j7s h ALA 120 Ca 0.53 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 1j7s h ALA 120 Cb 0.91 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1j7s h ALA 120 CO -0.45 0.42 -0.59 0.28 0.00 0.00 0.00 179.25 178.91 1j7s h VAL 121 N 0.51 1.34 -0.49 0.00 2.07 -1.66 -1.74 116.25 116.27 1j7s h VAL 121 Ca 0.07 -1.88 0.05 0.00 0.82 0.00 0.00 66.70 65.76 1j7s h VAL 121 Cb 0.73 1.86 -0.05 0.00 -1.52 0.00 0.00 31.29 32.32 1j7s h VAL 121 CO 0.05 0.58 0.23 -0.74 0.02 0.00 0.00 177.57 177.71 1j7s h HIS 122 N 0.37 0.42 -0.13 1.57 6.17 -0.24 -0.47 115.15 122.84 1j7s h HIS 122 Ca -0.00 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.09 1j7s h HIS 122 Cb 1.14 -0.12 -0.01 0.00 2.52 0.00 0.00 27.41 30.94 1j7s h HIS 122 CO 0.04 0.20 0.05 0.00 0.71 0.00 0.00 177.93 178.93 1j7s h ALA 123 N 1.28 0.17 -0.73 5.26 0.00 -1.14 -2.08 119.26 122.01 1j7s h ALA 123 Ca 0.22 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1j7s h ALA 123 Cb 0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1j7s h ALA 123 CO -0.17 -0.25 0.44 0.77 0.00 0.00 0.00 179.25 180.04 1j7s h SER 124 N 0.06 0.88 -0.78 0.00 0.02 -1.03 -1.91 113.55 110.79 1j7s h SER 124 Ca 0.04 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1j7s h SER 124 Cb 0.16 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 1j7s h SER 124 CO -0.00 0.68 0.42 -0.07 -1.14 0.00 0.00 176.83 176.72 1j7s h LEU 125 N 1.00 0.97 -0.57 5.07 3.38 -0.97 -0.30 115.31 123.88 1j7s h LEU 125 Ca 0.26 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 1j7s h LEU 125 Cb -0.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1j7s h LEU 125 CO -0.05 0.79 0.11 -0.78 0.09 0.00 0.00 178.44 178.61 1j7s h ASP 126 N 1.08 0.90 -0.62 -0.43 3.58 -1.17 0.14 116.42 119.90 1j7s h ASP 126 Ca 0.27 -0.25 -0.07 0.00 0.42 0.00 0.00 57.03 57.40 1j7s h ASP 126 Cb 0.04 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.82 1j7s h ASP 126 CO -0.04 0.92 0.11 0.11 -2.88 0.00 0.00 179.24 177.45 1j7s h LYS 127 N 0.84 1.04 -0.26 0.28 1.57 -1.12 -1.76 116.57 117.15 1j7s h LYS 127 Ca 0.18 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1j7s h LYS 127 Cb 0.39 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1j7s h LYS 127 CO 0.01 0.95 0.07 0.35 -0.57 0.00 0.00 179.45 180.26 1j7s h PHE 128 N 0.98 0.43 -0.32 -1.35 3.57 -0.30 -1.60 116.94 118.35 1j7s h PHE 128 Ca 0.20 -0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.54 1j7s h PHE 128 Cb 0.41 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1j7s h PHE 128 CO 0.03 0.48 -0.26 -0.07 -2.23 0.00 0.00 178.31 176.26 1j7s h LEU 129 N 0.25 0.65 -1.66 0.59 3.38 -0.55 -1.01 115.31 116.97 1j7s h LEU 129 Ca 0.08 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1j7s h LEU 129 Cb 0.27 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1j7s h LEU 129 CO -0.00 0.89 0.28 0.00 0.09 0.00 0.00 178.44 179.70 1j7s h ALA 130 N 1.16 1.82 -0.10 1.53 0.00 -1.12 0.18 119.26 122.74 1j7s h ALA 130 Ca 0.07 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1j7s h ALA 130 Cb 0.74 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1j7s h ALA 130 CO 0.06 0.13 -0.47 0.77 0.00 0.00 0.00 179.25 179.74 1j7s h SER 131 N 0.45 0.59 -0.55 0.00 0.02 -0.58 -1.64 113.55 111.83 1j7s h SER 131 Ca 0.17 -0.64 0.01 0.00 -0.84 0.00 0.00 61.79 60.49 1j7s h SER 131 Cb 0.10 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 1j7s h SER 131 CO -0.04 1.13 0.36 0.58 -1.14 0.00 0.00 176.83 177.72 1j7s h VAL 132 N 0.08 1.12 -0.57 2.27 2.07 -0.90 -1.91 116.25 118.41 1j7s h VAL 132 Ca -0.03 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.26 1j7s h VAL 132 Cb 1.11 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1j7s h VAL 132 CO 0.10 0.13 0.35 0.28 0.02 0.00 0.00 177.57 178.45 1j7s h SER 133 N 0.73 0.58 -0.30 0.57 0.02 -0.56 0.13 113.55 114.71 1j7s h SER 133 Ca 0.21 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.20 1j7s h SER 133 Cb -0.06 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.32 1j7s h SER 133 CO -0.06 0.41 0.08 0.74 -1.14 0.00 0.00 176.83 176.86 1j7s h THR 134 N 0.70 0.89 -0.33 -2.27 2.02 -1.24 -1.98 112.91 110.69 1j7s h THR 134 Ca 0.23 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 1j7s h THR 134 Cb 0.01 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1j7s h THR 134 CO -0.09 0.04 0.13 0.58 0.37 0.00 0.00 175.52 176.54 1j7s h VAL 135 N 0.20 1.19 0.00 3.16 2.07 -0.97 -1.93 116.25 119.97 1j7s h VAL 135 Ca 0.14 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1j7s h VAL 135 Cb 0.13 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1j7s h VAL 135 CO -0.16 0.20 -0.05 -0.07 0.02 0.00 0.00 177.57 177.51 1j7s h LEU 136 N 0.38 0.00 -2.78 2.57 3.38 -0.69 -2.47 115.31 115.70 1j7s h LEU 136 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1j7s h LEU 136 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1j7s h LEU 136 CO -0.01 0.05 0.00 0.35 0.09 0.00 0.00 178.44 178.93 1j7s n THR 137 N -3.43 0.93 -0.24 0.22 -2.24 -0.77 -4.56 114.28 104.19 1j7s n THR 137 Ca -0.02 -0.97 0.14 0.00 -2.27 0.00 0.00 64.05 60.93 1j7s n THR 137 Cb 0.18 0.55 0.42 0.00 -2.10 0.00 0.00 70.33 69.39 1j7s n THR 137 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1j7s h SER 138 N 2.27 0.56 -0.67 3.42 0.87 -0.86 -2.93 113.55 116.21 1j7s h SER 138 Ca 0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1j7s h SER 138 Cb 0.74 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1j7s h SER 138 CO 0.00 0.28 0.00 0.29 -0.53 0.00 0.00 176.83 176.87 1j7s n LYS 139 N -4.54 3.21 -0.03 2.24 5.02 -1.26 -4.62 118.16 118.18 1j7s n LYS 139 Ca 0.17 -2.75 0.00 0.00 -2.02 0.00 0.00 58.31 53.71 1j7s n LYS 139 Cb 0.52 -1.71 0.30 0.00 -0.02 0.00 0.00 35.03 34.12 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 4.07 0.61 0.00 2.13 -1.99 -1.85 -3.46 116.97 116.49 1j7s h TYR 140 Ca 0.00 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.69 1j7s h TYR 140 Cb 1.20 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 39.75 1j7s h TYR 140 CO 0.61 0.53 0.00 2.89 -0.00 0.00 0.00 178.16 182.19