#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a00 s LEU 2 N 0.00 4.28 0.81 7.52 1.43 -1.26 -5.04 118.68 126.42 1a00 s LEU 2 Ca 0.00 1.76 -0.10 0.00 -1.03 0.00 0.00 54.13 54.75 1a00 s LEU 2 Cb 0.00 -3.56 0.11 0.00 0.03 0.00 0.00 46.19 42.77 1a00 s LEU 2 CO 0.00 -0.54 1.15 -0.94 0.23 0.00 0.00 176.35 176.25 1a00 s SER 3 N 1.36 4.21 0.27 2.29 1.04 -1.26 -4.88 113.70 116.72 1a00 s SER 3 Ca 0.54 0.42 -0.02 0.00 0.48 0.00 0.00 55.95 57.38 1a00 s SER 3 Cb -0.23 -0.83 0.36 0.00 0.10 0.00 0.00 66.02 65.41 1a00 s SER 3 CO 0.21 -2.03 1.78 -0.65 0.98 0.00 0.00 173.24 173.54 1a00 h PRO 4 N -1.01 0.80 -0.58 4.02 0.11 -1.99 -1.34 132.00 131.99 1a00 h PRO 4 Ca -0.44 -0.20 0.02 0.00 0.11 0.00 0.00 66.00 65.49 1a00 h PRO 4 Cb 1.29 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1a00 h PRO 4 CO 0.54 0.78 0.37 0.00 -0.21 0.00 0.00 178.00 179.48 1a00 h ALA 5 N 1.29 0.75 -0.11 -0.75 0.00 -1.99 -0.76 119.26 117.68 1a00 h ALA 5 Ca 0.15 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1a00 h ALA 5 Cb 0.40 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1a00 h ALA 5 CO 0.01 0.13 0.07 -0.44 0.00 0.00 0.00 179.25 179.02 1a00 h ASP 6 N 0.75 0.13 -0.95 0.00 3.32 -1.79 0.03 116.42 117.91 1a00 h ASP 6 Ca 0.22 -0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.27 1a00 h ASP 6 Cb -0.04 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.43 1a00 h ASP 6 CO -0.07 0.13 0.62 0.11 -1.72 0.00 0.00 179.24 178.31 1a00 h LYS 7 N 0.13 1.17 -0.01 3.56 1.57 -0.78 -0.34 116.57 121.87 1a00 h LYS 7 Ca 0.04 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1a00 h LYS 7 Cb 0.02 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.04 1a00 h LYS 7 CO -0.01 0.77 -0.13 1.15 -0.57 0.00 0.00 179.45 180.67 1a00 h THR 8 N 1.20 0.68 -0.25 -0.16 2.02 -0.84 -1.63 112.91 113.93 1a00 h THR 8 Ca 0.37 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.60 1a00 h THR 8 Cb -0.01 0.68 -0.05 0.00 -1.74 0.00 0.00 68.15 67.03 1a00 h THR 8 CO -0.12 0.00 -0.05 0.78 0.37 0.00 0.00 175.52 176.50 1a00 h ASN 9 N -0.21 -0.21 -0.32 4.18 2.35 -0.32 -2.19 115.58 118.85 1a00 h ASN 9 Ca 0.05 0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1a00 h ASN 9 Cb 0.27 0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 1a00 h ASN 9 CO -0.13 -0.07 0.16 0.58 -1.65 0.00 0.00 177.43 176.31 1a00 h VAL 10 N 0.01 1.16 -0.68 2.81 2.07 -0.91 -0.88 116.25 119.83 1a00 h VAL 10 Ca 0.12 -0.45 0.03 0.00 0.82 0.00 0.00 66.70 67.22 1a00 h VAL 10 Cb 0.18 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1a00 h VAL 10 CO -0.25 0.16 0.43 0.11 0.02 0.00 0.00 177.57 178.04 1a00 h LYS 11 N 0.38 0.82 -0.11 1.57 1.57 -1.17 -0.44 116.57 119.19 1a00 h LYS 11 Ca 0.11 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1a00 h LYS 11 Cb 0.12 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1a00 h LYS 11 CO -0.01 0.54 0.06 0.00 -0.57 0.00 0.00 179.45 179.48 1a00 h ALA 12 N 1.29 0.15 -0.10 3.86 0.00 -1.16 -1.71 119.26 121.58 1a00 h ALA 12 Ca 0.27 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 1a00 h ALA 12 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1a00 h ALA 12 CO -0.10 -0.33 -0.67 0.00 0.00 0.00 0.00 179.25 178.16 1a00 h ALA 13 N 0.98 0.66 0.00 0.00 0.00 -0.98 -3.04 119.26 116.87 1a00 h ALA 13 Ca 0.04 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 1a00 h ALA 13 Cb 0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1a00 h ALA 13 CO -0.01 0.74 -0.12 2.35 0.00 0.00 0.00 179.25 182.21 1a00 h TRP 14 N 0.29 0.00 -0.11 0.00 2.91 -1.00 -2.96 115.95 115.09 1a00 h TRP 14 Ca -0.02 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.00 1a00 h TRP 14 Cb 1.22 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.87 1a00 h TRP 14 CO 0.04 0.12 0.05 0.78 -1.03 0.00 0.00 178.44 178.40 1a00 h GLY 15 N 2.88 0.17 2.00 2.65 0.00 -1.20 -2.56 103.07 107.01 1a00 h GLY 15 Ca -0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 1a00 h GLY 15 CO 0.02 0.08 -0.31 0.50 0.00 0.00 0.00 176.54 176.83 1a00 h LYS 16 N 0.03 0.00 -0.08 4.80 1.79 -1.48 -2.83 116.57 118.81 1a00 h LYS 16 Ca 0.04 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.50 1a00 h LYS 16 Cb 0.14 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1a00 h LYS 16 CO -0.00 0.31 0.02 0.28 -1.08 0.00 0.00 179.45 178.98 1a00 h VAL 17 N 0.00 1.18 0.00 0.50 2.07 -1.40 -3.46 116.25 115.15 1a00 h VAL 17 Ca -0.00 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1a00 h VAL 17 Cb 0.78 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1a00 h VAL 17 CO 0.04 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.39 1a00 n GLY 18 N -0.54 2.27 0.32 2.17 0.00 -0.98 -0.69 105.19 107.73 1a00 n GLY 18 Ca -0.06 0.34 0.21 0.00 0.00 0.00 0.00 46.02 46.51 1a00 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a00 h ALA 19 N -0.09 1.00 -0.01 4.61 0.00 -1.87 -2.41 119.26 120.49 1a00 h ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a00 h ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1a00 h ALA 19 CO 0.00 0.00 -0.06 0.72 0.00 0.00 0.00 179.25 179.91 1a00 n HIS 20 N -3.07 0.00 -0.29 0.00 8.25 0.13 -4.55 115.22 115.70 1a00 n HIS 20 Ca -0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.32 1a00 n HIS 20 Cb 0.14 -0.08 -0.10 0.00 1.12 0.00 0.00 29.99 31.07 1a00 n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a00 h ALA 21 N 3.93 -0.65 -0.63 -1.41 0.00 -1.50 -2.04 119.26 116.96 1a00 h ALA 21 Ca 0.00 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1a00 h ALA 21 Cb 0.31 1.26 -0.04 0.00 0.00 0.00 0.00 17.79 19.32 1a00 h ALA 21 CO 0.00 -1.01 0.42 0.78 0.00 0.00 0.00 179.25 179.44 1a00 h GLY 22 N -0.19 0.68 0.85 0.00 0.00 -1.82 0.16 103.07 102.76 1a00 h GLY 22 Ca 0.12 -0.20 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 1a00 h GLY 22 CO -0.78 0.13 -0.20 -2.09 0.00 0.00 0.00 176.54 173.60 1a00 h GLU 23 N 0.50 0.52 -0.66 4.80 4.81 -1.71 -1.99 114.58 120.85 1a00 h GLU 23 Ca 0.29 -0.27 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 1a00 h GLU 23 Cb 0.47 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 1a00 h GLU 23 CO -0.09 0.84 0.17 1.88 -0.73 0.00 0.00 179.01 181.09 1a00 h TYR 24 N 0.21 1.10 0.18 0.92 -1.99 -0.95 -0.54 116.97 115.90 1a00 h TYR 24 Ca 0.04 -0.13 0.01 0.00 2.00 0.00 0.00 58.73 60.66 1a00 h TYR 24 Cb 0.74 -0.31 -0.04 0.00 2.00 0.00 0.00 36.73 39.11 1a00 h TYR 24 CO 0.08 0.90 -0.43 0.78 -0.00 0.00 0.00 178.16 179.49 1a00 h GLY 25 N 0.97 -0.91 1.66 3.88 0.00 -0.93 0.19 103.07 107.93 1a00 h GLY 25 Ca 0.21 0.51 -0.04 0.00 0.00 0.00 0.00 47.33 48.01 1a00 h GLY 25 CO 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 176.54 176.25 1a00 h ALA 26 N -0.28 1.46 -0.12 3.60 0.00 -1.22 -2.25 119.26 120.46 1a00 h ALA 26 Ca 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1a00 h ALA 26 Cb 0.70 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1a00 h ALA 26 CO -0.21 0.39 0.04 1.49 0.00 0.00 0.00 179.25 180.95 1a00 h GLU 27 N 0.42 0.19 -0.59 0.00 4.81 -0.36 -2.21 114.58 116.84 1a00 h GLU 27 Ca 0.09 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.34 1a00 h GLU 27 Cb 0.29 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.59 1a00 h GLU 27 CO 0.01 0.33 0.29 0.00 -0.73 0.00 0.00 179.01 178.91 1a00 h ALA 28 N 0.85 0.77 -0.51 2.92 0.00 -0.44 -0.76 119.26 122.10 1a00 h ALA 28 Ca 0.04 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1a00 h ALA 28 Cb 0.22 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1a00 h ALA 28 CO -0.00 -0.06 0.27 -0.07 0.00 0.00 0.00 179.25 179.39 1a00 h LEU 29 N 0.55 0.64 -0.30 0.00 3.38 -1.31 -1.34 115.31 116.93 1a00 h LEU 29 Ca 0.27 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1a00 h LEU 29 Cb 0.21 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1a00 h LEU 29 CO -0.20 0.55 0.14 -0.08 0.09 0.00 0.00 178.44 178.94 1a00 h GLU 30 N 0.68 0.44 -0.74 1.13 4.81 -1.01 0.13 114.58 120.02 1a00 h GLU 30 Ca 0.18 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1a00 h GLU 30 Cb 0.06 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.32 1a00 h GLU 30 CO -0.03 0.42 0.46 0.00 -0.73 0.00 0.00 179.01 179.14 1a00 h ARG 31 N 0.35 0.87 0.35 1.92 3.08 -0.98 -1.58 114.38 118.40 1a00 h ARG 31 Ca 0.10 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1a00 h ARG 31 Cb 0.13 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1a00 h ARG 31 CO -0.01 0.58 -0.18 1.98 -1.07 0.00 0.00 179.97 181.27 1a00 h MET 32 N 0.90 -0.47 -0.33 0.04 4.05 -0.85 -0.00 114.93 118.26 1a00 h MET 32 Ca 0.30 0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.75 1a00 h MET 32 Cb 0.03 0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.92 1a00 h MET 32 CO -0.12 -0.32 0.19 0.74 0.23 0.00 0.00 176.91 177.64 1a00 h PHE 33 N -0.49 0.42 0.21 1.39 0.04 -0.70 0.28 116.94 118.10 1a00 h PHE 33 Ca -0.05 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.39 1a00 h PHE 33 Cb 0.38 -0.14 0.02 0.00 2.20 0.00 0.00 35.95 38.42 1a00 h PHE 33 CO -0.06 0.29 -1.56 -0.07 -0.60 0.00 0.00 178.31 176.31 1a00 h LEU 34 N 0.45 0.70 0.09 1.54 3.38 -1.10 -3.30 115.31 117.07 1a00 h LEU 34 Ca 0.12 -0.85 -0.28 0.00 0.09 0.00 0.00 57.88 56.96 1a00 h LEU 34 Cb -0.01 -0.23 0.02 0.00 0.09 0.00 0.00 40.66 40.53 1a00 h LEU 34 CO -0.02 1.68 -1.23 0.28 0.09 0.00 0.00 178.44 179.24 1a00 h SER 35 N 0.12 0.63 -2.54 -0.43 0.02 -0.70 -3.40 113.55 107.24 1a00 h SER 35 Ca -0.28 -0.62 -0.60 0.00 -0.84 0.00 0.00 61.79 59.46 1a00 h SER 35 Cb 2.12 -0.20 -0.39 0.00 0.14 0.00 0.00 62.40 64.07 1a00 h SER 35 CO 0.23 1.46 -0.85 0.49 -1.14 0.00 0.00 176.83 177.02 1a00 n PHE 36 N -3.67 0.60 0.07 3.45 3.72 0.97 -5.00 117.46 117.61 1a00 n PHE 36 Ca -0.11 -3.67 0.21 0.00 -0.05 0.00 0.00 57.45 53.83 1a00 n PHE 36 Cb 1.00 -0.09 0.73 0.00 -0.94 0.00 0.00 39.48 40.17 1a00 n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1a00 h PRO 37 N 5.35 0.00 0.00 -1.08 0.11 -1.74 -2.10 132.00 132.54 1a00 h PRO 37 Ca 0.21 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.30 1a00 h PRO 37 Cb 0.85 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1a00 h PRO 37 CO 0.51 0.00 -0.11 1.79 -0.21 0.00 0.00 178.00 179.98 1a00 h THR 38 N 0.00 0.69 0.00 -1.15 1.35 -1.92 -1.45 112.91 110.44 1a00 h THR 38 Ca 0.21 -0.44 -0.01 0.00 -0.55 0.00 0.00 66.41 65.63 1a00 h THR 38 Cb 1.17 1.27 -0.00 0.00 -1.73 0.00 0.00 68.15 68.86 1a00 h THR 38 CO -0.00 0.11 -0.04 0.71 -0.25 0.00 0.00 175.52 176.04 1a00 h THR 39 N 0.00 0.17 0.00 6.82 1.35 -1.72 -1.18 112.91 118.35 1a00 h THR 39 Ca -0.00 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1a00 h THR 39 Cb 0.26 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1a00 h THR 39 CO 0.01 0.04 0.00 0.29 -0.25 0.00 0.00 175.52 175.61 1a00 n LYS 40 N -3.25 0.10 0.21 4.72 5.02 -0.54 -2.47 118.16 121.95 1a00 n LYS 40 Ca -0.01 0.33 0.15 0.00 -2.02 0.00 0.00 58.31 56.76 1a00 n LYS 40 Cb 0.21 -1.69 0.68 0.00 -0.02 0.00 0.00 35.03 34.22 1a00 n LYS 40 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1a00 h THR 41 N 0.00 0.00 -0.01 -0.18 1.35 -1.37 -1.96 112.91 110.75 1a00 h THR 41 Ca 0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1a00 h THR 41 Cb 0.32 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1a00 h THR 41 CO 0.00 0.00 -0.29 -1.22 -0.25 0.00 0.00 175.52 173.76 1a00 n TYR 42 N -2.63 0.00 -2.79 4.73 4.01 -1.03 -4.33 117.16 115.12 1a00 n TYR 42 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.57 1a00 n TYR 42 Cb 0.19 -0.12 -0.00 0.00 -0.31 0.00 0.00 39.34 39.10 1a00 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1a00 n PHE 43 N -0.65 1.79 0.26 -0.72 3.01 -0.74 -4.85 117.46 115.57 1a00 n PHE 43 Ca 0.12 -3.27 0.14 0.00 1.01 0.00 0.00 57.45 55.45 1a00 n PHE 43 Cb 0.36 -0.34 0.69 0.00 -0.01 0.00 0.00 39.48 40.18 1a00 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1a00 h PRO 44 N 2.91 0.00 -0.38 -1.08 0.13 -1.75 -2.74 132.00 129.08 1a00 h PRO 44 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1a00 h PRO 44 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1a00 h PRO 44 CO 0.62 0.10 0.00 -2.39 -0.23 0.00 0.00 178.00 176.10 1a00 n HIS 45 N -3.35 0.51 -4.24 1.56 1.44 -1.26 -4.90 115.22 104.98 1a00 n HIS 45 Ca -0.01 -0.25 -0.31 0.00 -2.01 0.00 0.00 57.72 55.14 1a00 n HIS 45 Cb 0.29 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.32 1a00 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1a00 s PHE 46 N -1.49 2.94 -0.48 -1.40 0.40 -1.03 -5.06 117.98 111.86 1a00 s PHE 46 Ca 0.27 -0.03 -0.27 0.00 -0.60 0.00 0.00 56.93 56.30 1a00 s PHE 46 Cb 0.14 -1.56 0.03 0.00 0.51 0.00 0.00 43.02 42.14 1a00 s PHE 46 CO 0.19 0.44 1.03 0.34 0.70 0.00 0.00 175.22 177.92 1a00 s ASP 47 N -1.96 6.54 -0.08 1.36 2.15 -1.26 -4.87 116.67 118.55 1a00 s ASP 47 Ca 0.22 0.23 0.16 0.00 0.43 0.00 0.00 52.55 53.58 1a00 s ASP 47 Cb -0.11 -2.49 0.59 0.00 -0.30 0.00 0.00 42.92 40.60 1a00 s ASP 47 CO 0.14 -1.17 1.47 0.18 -0.17 0.00 0.00 175.17 175.62 1a00 n LEU 48 N 7.53 3.87 -4.81 -1.34 4.77 -1.26 -4.53 117.00 121.23 1a00 n LEU 48 Ca 0.08 -1.95 -0.31 0.00 -0.03 0.00 0.00 56.01 53.80 1a00 n LEU 48 Cb 0.49 -0.50 0.04 0.00 -2.33 0.00 0.00 43.42 41.12 1a00 n LEU 48 CO 0.68 0.71 0.71 -0.94 -1.33 0.00 0.00 177.39 177.21 1a00 s SER 49 N -0.85 5.38 0.06 -1.43 1.04 -1.26 -4.91 113.70 111.74 1a00 s SER 49 Ca 0.42 1.70 -0.34 0.00 0.48 0.00 0.00 55.95 58.20 1a00 s SER 49 Cb 0.26 -2.51 -0.13 0.00 0.10 0.00 0.00 66.02 63.74 1a00 s SER 49 CO 0.22 -1.44 1.66 1.57 0.98 0.00 0.00 173.24 176.22 1a00 n HIS 50 N -2.88 2.23 -1.03 5.02 -0.00 -1.26 -0.56 115.22 116.74 1a00 n HIS 50 Ca 0.08 0.22 -0.01 0.00 0.46 0.00 0.00 57.72 58.47 1a00 n HIS 50 Cb 0.53 -2.56 -0.00 0.00 -0.12 0.00 0.00 29.99 27.84 1a00 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1a00 n GLY 51 N 3.67 0.43 3.55 1.57 0.00 -1.26 -4.98 105.19 108.17 1a00 n GLY 51 Ca 0.19 -0.12 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 1a00 n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a00 n SER 52 N -0.13 0.73 0.06 1.61 3.41 0.28 -4.79 113.62 114.79 1a00 n SER 52 Ca -0.01 1.12 -0.04 0.00 -0.26 0.00 0.00 58.87 59.69 1a00 n SER 52 Cb 0.17 -1.23 0.19 0.00 -0.26 0.00 0.00 64.21 63.08 1a00 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a00 h ALA 53 N 1.67 1.03 -0.87 7.33 0.00 -1.89 -1.85 119.26 124.69 1a00 h ALA 53 Ca -0.39 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.14 1a00 h ALA 53 Cb 1.36 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 1a00 h ALA 53 CO 0.59 0.61 0.56 1.96 0.00 0.00 0.00 179.25 182.96 1a00 h GLN 54 N 0.29 1.06 -0.16 0.00 4.20 -1.86 0.66 115.11 119.30 1a00 h GLN 54 Ca 0.03 -0.06 -0.20 0.00 0.06 0.00 0.00 58.65 58.47 1a00 h GLN 54 Cb 0.83 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1a00 h GLN 54 CO 0.07 0.70 -0.71 0.28 -0.67 0.00 0.00 178.83 178.51 1a00 h VAL 55 N 1.10 1.31 -0.56 -0.54 2.07 -1.75 0.14 116.25 118.02 1a00 h VAL 55 Ca 0.35 -1.96 -0.06 0.00 0.82 0.00 0.00 66.70 65.84 1a00 h VAL 55 Cb 0.00 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1a00 h VAL 55 CO -0.12 0.61 0.10 0.11 0.02 0.00 0.00 177.57 178.30 1a00 h LYS 56 N 0.48 0.91 -0.14 1.57 1.57 -0.60 0.52 116.57 120.88 1a00 h LYS 56 Ca -0.03 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.48 1a00 h LYS 56 Cb 1.31 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 1a00 h LYS 56 CO 0.14 0.88 -0.04 0.78 -0.57 0.00 0.00 179.45 180.63 1a00 h GLY 57 N 0.81 0.30 0.93 3.86 0.00 0.39 -2.36 103.07 107.00 1a00 h GLY 57 Ca 0.17 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.26 1a00 h GLY 57 CO 0.01 0.24 0.22 0.84 0.00 0.00 0.00 176.54 177.85 1a00 h HIS 58 N -0.03 0.42 -0.09 5.60 -0.00 -0.61 -1.63 115.15 118.81 1a00 h HIS 58 Ca 0.04 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.44 1a00 h HIS 58 Cb 0.48 -0.14 -0.00 0.00 -0.00 0.00 0.00 27.41 27.75 1a00 h HIS 58 CO 0.06 0.25 0.07 0.78 -0.00 0.00 0.00 177.93 179.09 1a00 h GLY 59 N 0.46 0.00 1.03 5.26 0.00 -0.80 -1.77 103.07 107.24 1a00 h GLY 59 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.29 1a00 h GLY 59 CO -0.06 0.00 -0.66 1.70 0.00 0.00 0.00 176.54 177.52 1a00 h LYS 60 N 0.00 0.66 -0.36 4.80 3.64 -0.75 -1.53 116.57 123.02 1a00 h LYS 60 Ca 0.04 -0.55 0.02 0.00 -1.27 0.00 0.00 60.65 58.89 1a00 h LYS 60 Cb 0.19 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 1a00 h LYS 60 CO -0.00 1.16 0.21 0.87 -2.27 0.00 0.00 179.45 179.42 1a00 h LYS 61 N 0.32 0.41 -0.40 1.90 1.57 -1.07 -0.29 116.57 119.02 1a00 h LYS 61 Ca -0.05 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1a00 h LYS 61 Cb 1.30 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 1a00 h LYS 61 CO 0.14 0.27 0.22 0.28 -0.57 0.00 0.00 179.45 179.79 1a00 h VAL 62 N 0.42 1.15 -0.56 0.50 2.07 -1.36 -1.68 116.25 116.79 1a00 h VAL 62 Ca 0.15 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 1a00 h VAL 62 Cb 0.02 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1a00 h VAL 62 CO -0.08 0.15 0.14 0.00 0.02 0.00 0.00 177.57 177.81 1a00 h ALA 63 N 1.08 1.20 -0.68 1.67 0.00 -0.70 -2.53 119.26 119.29 1a00 h ALA 63 Ca 0.14 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1a00 h ALA 63 Cb 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1a00 h ALA 63 CO -0.02 0.55 0.30 -0.44 0.00 0.00 0.00 179.25 179.64 1a00 h ASP 64 N 0.82 0.92 -0.66 0.00 3.32 -0.86 0.22 116.42 120.18 1a00 h ASP 64 Ca 0.18 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 1a00 h ASP 64 Cb 0.29 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 1a00 h ASP 64 CO -0.00 0.81 0.22 0.00 -1.72 0.00 0.00 179.24 178.55 1a00 h ALA 65 N 1.14 0.86 -0.17 3.45 0.00 -0.99 -0.49 119.26 123.06 1a00 h ALA 65 Ca 0.23 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1a00 h ALA 65 Cb 0.16 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1a00 h ALA 65 CO -0.02 0.53 0.10 -0.07 0.00 0.00 0.00 179.25 179.78 1a00 h LEU 66 N 0.95 0.21 -0.42 0.00 3.38 -1.16 0.32 115.31 118.60 1a00 h LEU 66 Ca 0.21 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.17 1a00 h LEU 66 Cb 0.28 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 1a00 h LEU 66 CO -0.01 0.22 0.13 0.74 0.09 0.00 0.00 178.44 179.62 1a00 h THR 67 N 0.18 0.85 -0.86 0.22 2.02 -0.23 0.82 112.91 115.92 1a00 h THR 67 Ca 0.06 -0.10 0.08 0.00 0.77 0.00 0.00 66.41 67.22 1a00 h THR 67 Cb 0.06 0.54 -0.07 0.00 -1.74 0.00 0.00 68.15 66.94 1a00 h THR 67 CO -0.01 0.05 0.51 -1.13 0.37 0.00 0.00 175.52 175.31 1a00 h ASN 68 N 0.29 0.77 0.06 4.18 -1.24 -0.71 -1.43 115.58 117.49 1a00 h ASN 68 Ca 0.20 0.03 -0.07 0.00 0.71 0.00 0.00 56.30 57.17 1a00 h ASN 68 Cb 0.20 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.12 1a00 h ASN 68 CO -0.22 0.46 -0.22 0.00 -1.29 0.00 0.00 177.43 176.16 1a00 h ALA 69 N 1.44 1.31 -0.18 1.57 0.00 0.18 -2.28 119.26 121.30 1a00 h ALA 69 Ca 0.40 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1a00 h ALA 69 Cb 0.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1a00 h ALA 69 CO -0.22 0.47 -0.55 0.28 0.00 0.00 0.00 179.25 179.23 1a00 h VAL 70 N 0.27 1.31 -0.98 0.00 2.07 -0.29 -2.30 116.25 116.34 1a00 h VAL 70 Ca 0.05 -1.78 0.05 0.00 0.82 0.00 0.00 66.70 65.83 1a00 h VAL 70 Cb 0.55 1.93 -0.06 0.00 -1.52 0.00 0.00 31.29 32.19 1a00 h VAL 70 CO 0.04 0.56 0.63 0.00 0.02 0.00 0.00 177.57 178.82 1a00 h ALA 71 N 0.57 1.32 -0.83 1.67 0.00 -1.11 -2.87 119.26 118.01 1a00 h ALA 71 Ca -0.02 -0.04 -0.57 0.00 0.00 0.00 0.00 54.91 54.29 1a00 h ALA 71 Cb 1.17 -0.33 -0.32 0.00 0.00 0.00 0.00 17.79 18.31 1a00 h ALA 71 CO 0.12 0.49 0.14 0.72 0.00 0.00 0.00 179.25 180.71 1a00 n HIS 72 N -4.48 2.80 -0.05 0.00 8.25 -0.87 -4.79 115.22 116.07 1a00 n HIS 72 Ca 0.14 -2.51 0.25 0.00 -0.26 0.00 0.00 57.72 55.33 1a00 n HIS 72 Cb 0.12 -0.91 0.70 0.00 1.12 0.00 0.00 29.99 31.02 1a00 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1a00 h VAL 73 N 1.42 0.34 -0.00 1.59 3.04 -1.17 0.64 116.25 122.11 1a00 h VAL 73 Ca 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.17 1a00 h VAL 73 Cb 1.29 0.50 0.00 0.00 -2.01 0.00 0.00 31.29 31.08 1a00 h VAL 73 CO 1.13 0.00 -0.29 0.47 -1.01 0.00 0.00 177.57 177.87 1a00 n ASP 74 N -3.77 0.59 -2.86 3.17 8.00 -1.26 -4.22 116.55 116.20 1a00 n ASP 74 Ca 0.14 -0.43 -0.11 0.00 0.71 0.00 0.00 54.79 55.09 1a00 n ASP 74 Cb 0.89 0.06 0.05 0.00 -0.02 0.00 0.00 41.12 42.10 1a00 n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1a00 n ASP 75 N -1.13 -0.49 -0.15 -2.24 2.03 0.22 -4.97 116.55 109.83 1a00 n ASP 75 Ca 0.10 -3.05 -0.06 0.00 0.52 0.00 0.00 54.79 52.30 1a00 n ASP 75 Cb 0.33 0.45 0.03 0.00 -0.72 0.00 0.00 41.12 41.21 1a00 n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1a00 h MET 76 N 2.81 0.47 -0.62 -0.67 2.86 -1.62 -0.33 114.93 117.83 1a00 h MET 76 Ca -0.07 -0.03 0.11 0.00 -2.06 0.00 0.00 59.70 57.65 1a00 h MET 76 Cb 1.11 -0.11 -0.12 0.00 0.06 0.00 0.00 31.60 32.55 1a00 h MET 76 CO 0.29 0.31 -0.32 -1.35 1.06 0.00 0.00 176.91 176.89 1a00 h PRO 77 N 0.48 -0.13 -0.05 -0.22 0.11 -1.93 0.63 132.00 130.89 1a00 h PRO 77 Ca 0.19 0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.15 1a00 h PRO 77 Cb 0.08 0.03 0.01 0.00 0.11 0.00 0.00 31.00 31.23 1a00 h PRO 77 CO -0.12 -0.09 -0.61 -0.91 -0.21 0.00 0.00 178.00 176.06 1a00 h ASN 78 N -0.14 0.63 -0.07 -2.05 2.35 -1.93 -1.61 115.58 112.75 1a00 h ASN 78 Ca 0.25 -0.70 -0.01 0.00 -0.55 0.00 0.00 56.30 55.29 1a00 h ASN 78 Cb 0.55 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1a00 h ASN 78 CO -0.70 1.23 0.03 0.00 -1.65 0.00 0.00 177.43 176.35 1a00 h ALA 79 N 0.41 1.87 -0.24 -0.83 0.00 -0.04 -2.78 119.26 117.65 1a00 h ALA 79 Ca -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1a00 h ALA 79 Cb 1.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1a00 h ALA 79 CO 0.12 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.76 1a00 n LEU 80 N -4.48 2.99 -0.28 0.00 4.77 0.21 -4.79 117.00 115.42 1a00 n LEU 80 Ca -0.01 -1.37 0.02 0.00 -0.03 0.00 0.00 56.01 54.61 1a00 n LEU 80 Cb 0.11 -0.15 0.09 0.00 -2.33 0.00 0.00 43.42 41.14 1a00 n LEU 80 CO 0.35 0.62 0.69 -1.28 -1.33 0.00 0.00 177.39 176.44 1a00 h SER 81 N 3.71 -0.79 0.04 -1.43 0.87 -0.99 0.16 113.55 115.13 1a00 h SER 81 Ca 0.00 0.24 -0.06 0.00 -1.23 0.00 0.00 61.79 60.74 1a00 h SER 81 Cb 0.85 0.51 -0.01 0.00 -0.44 0.00 0.00 62.40 63.30 1a00 h SER 81 CO 0.00 -0.27 -0.18 0.00 -0.53 0.00 0.00 176.83 175.86 1a00 h ALA 82 N 1.73 1.41 -0.13 6.23 0.00 -1.87 -1.33 119.26 125.30 1a00 h ALA 82 Ca 0.37 -0.25 -0.22 0.00 0.00 0.00 0.00 54.91 54.82 1a00 h ALA 82 Cb 0.58 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1a00 h ALA 82 CO -0.82 0.41 -0.78 -0.07 0.00 0.00 0.00 179.25 177.99 1a00 h LEU 83 N 0.24 0.85 -1.35 0.00 3.38 -1.15 -1.33 115.31 115.96 1a00 h LEU 83 Ca 0.05 -0.56 -0.07 0.00 0.09 0.00 0.00 57.88 57.38 1a00 h LEU 83 Cb 0.46 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1a00 h LEU 83 CO 0.03 1.35 -0.31 0.77 0.09 0.00 0.00 178.44 180.37 1a00 h SER 84 N 0.49 0.02 0.08 -0.43 4.64 -0.50 -1.85 113.55 115.99 1a00 h SER 84 Ca -0.05 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1a00 h SER 84 Cb 1.40 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1a00 h SER 84 CO 0.16 0.33 -0.04 0.44 -0.87 0.00 0.00 176.83 176.85 1a00 h ASP 85 N 0.02 -0.09 -0.85 4.97 3.32 -1.14 -1.49 116.42 121.16 1a00 h ASP 85 Ca 0.00 -0.23 0.03 0.00 0.02 0.00 0.00 57.03 56.84 1a00 h ASP 85 Cb 0.56 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.09 1a00 h ASP 85 CO 0.04 0.18 0.55 0.25 -1.72 0.00 0.00 179.24 178.54 1a00 h LEU 86 N -0.38 0.93 -0.11 1.55 5.85 -0.99 0.21 115.31 122.37 1a00 h LEU 86 Ca -0.01 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 1a00 h LEU 86 Cb 0.32 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 1a00 h LEU 86 CO 0.02 0.65 -0.08 0.45 -0.34 0.00 0.00 178.44 179.13 1a00 h HIS 87 N 1.09 0.29 -0.50 1.25 3.86 -1.34 0.11 115.15 119.92 1a00 h HIS 87 Ca 0.33 -0.08 -0.10 0.00 -1.16 0.00 0.00 60.37 59.36 1a00 h HIS 87 Cb -0.03 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 1a00 h HIS 87 CO -0.02 0.64 -0.07 0.00 0.86 0.00 0.00 177.93 179.34 1a00 h ALA 88 N 0.61 0.68 0.00 2.45 0.00 -1.12 0.35 119.26 122.23 1a00 h ALA 88 Ca 0.02 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1a00 h ALA 88 Cb 0.58 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1a00 h ALA 88 CO 0.02 0.55 -1.88 0.72 0.00 0.00 0.00 179.25 178.66 1a00 n HIS 89 N -4.25 0.00 0.00 0.00 8.25 0.71 -4.62 115.22 115.31 1a00 n HIS 89 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1a00 n HIS 89 Cb 0.37 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 30.99 1a00 n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1a00 n LYS 90 N -2.22 0.00 -0.09 -0.41 0.00 -0.12 -4.86 118.16 110.46 1a00 n LYS 90 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 58.31 58.14 1a00 n LYS 90 Cb 0.58 -0.20 -0.01 0.00 0.00 0.00 0.00 35.03 35.41 1a00 n LYS 90 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1a00 h LEU 91 N 0.00 0.32 -1.82 3.14 3.38 -0.93 -3.47 115.31 115.93 1a00 h LEU 91 Ca 0.00 -0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.53 1a00 h LEU 91 Cb 0.00 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 40.70 1a00 h LEU 91 CO 0.00 0.23 -0.85 0.54 0.09 0.00 0.00 178.44 178.46 1a00 n ARG 92 N -4.89 -4.44 -2.29 1.13 1.74 0.12 -4.95 116.66 103.07 1a00 n ARG 92 Ca -0.01 0.56 -0.42 0.00 -0.77 0.00 0.00 57.85 57.21 1a00 n ARG 92 Cb 0.04 -4.99 -0.03 0.00 -1.02 0.00 0.00 32.46 26.46 1a00 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1a00 s VAL 93 N -3.76 3.80 0.24 1.55 1.01 -1.26 -4.98 120.40 117.01 1a00 s VAL 93 Ca 0.00 1.22 -0.31 0.00 0.00 0.00 0.00 61.98 62.89 1a00 s VAL 93 Cb -0.00 -3.78 -0.13 0.00 0.00 0.00 0.00 36.38 32.47 1a00 s VAL 93 CO 0.83 0.03 1.55 -0.67 0.00 0.00 0.00 175.10 176.84 1a00 n ASP 94 N 4.87 3.38 -0.26 3.32 -0.08 -1.26 -4.86 116.55 121.67 1a00 n ASP 94 Ca 0.12 1.12 0.33 0.00 -1.51 0.00 0.00 54.79 54.85 1a00 n ASP 94 Cb 0.44 -1.51 0.74 0.00 2.34 0.00 0.00 41.12 43.13 1a00 n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1a00 h PRO 95 N 5.04 0.00 -0.41 -0.67 0.11 -2.00 -1.61 132.00 132.45 1a00 h PRO 95 Ca -0.45 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.69 1a00 h PRO 95 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1a00 h PRO 95 CO 0.82 0.00 0.28 -0.39 -0.21 0.00 0.00 178.00 178.49 1a00 h VAL 96 N 0.00 1.02 -0.48 3.15 -1.51 -2.03 -2.81 116.25 113.59 1a00 h VAL 96 Ca 0.51 -0.15 0.08 0.00 -1.23 0.00 0.00 66.70 65.90 1a00 h VAL 96 Cb 2.07 0.56 -0.03 0.00 -2.13 0.00 0.00 31.29 31.76 1a00 h VAL 96 CO -0.01 0.08 0.33 0.78 -1.23 0.00 0.00 177.57 177.52 1a00 h ASN 97 N 0.43 0.30 -0.89 4.19 2.35 -1.65 -1.87 115.58 118.43 1a00 h ASN 97 Ca 0.17 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.97 1a00 h ASN 97 Cb 0.14 -0.06 -0.05 0.00 0.05 0.00 0.00 38.32 38.40 1a00 h ASN 97 CO -0.04 0.19 0.58 -0.26 -1.65 0.00 0.00 177.43 176.25 1a00 h PHE 98 N 0.33 1.06 -0.12 1.19 -1.00 -1.69 -1.02 116.94 115.69 1a00 h PHE 98 Ca 0.22 0.03 -0.10 0.00 2.81 0.00 0.00 57.97 60.92 1a00 h PHE 98 Cb 0.42 -0.35 -0.01 0.00 3.61 0.00 0.00 35.95 39.62 1a00 h PHE 98 CO -0.00 0.59 -0.38 1.57 -1.61 0.00 0.00 178.31 178.48 1a00 h LYS 99 N 1.07 0.25 -0.36 1.51 2.10 -1.48 -0.48 116.57 119.18 1a00 h LYS 99 Ca 0.37 -0.11 -0.08 0.00 -2.00 0.00 0.00 60.65 58.83 1a00 h LYS 99 Cb 0.09 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.40 1a00 h LYS 99 CO -0.12 0.60 -0.07 -0.07 -2.00 0.00 0.00 179.45 177.78 1a00 h LEU 100 N 0.21 0.69 -0.28 7.07 3.38 -1.17 -2.23 115.31 122.98 1a00 h LEU 100 Ca 0.02 -0.35 -0.16 0.00 0.09 0.00 0.00 57.88 57.48 1a00 h LEU 100 Cb 0.77 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1a00 h LEU 100 CO 0.06 0.88 -0.43 0.25 0.09 0.00 0.00 178.44 179.29 1a00 h LEU 101 N 0.49 0.87 -0.73 1.67 5.85 -1.21 -2.63 115.31 119.61 1a00 h LEU 101 Ca 0.09 -0.52 0.04 0.00 0.84 0.00 0.00 57.88 58.34 1a00 h LEU 101 Cb 0.57 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1a00 h LEU 101 CO 0.03 1.21 0.45 0.28 -0.34 0.00 0.00 178.44 180.07 1a00 h SER 102 N 0.54 0.71 -0.15 1.25 0.02 -1.05 -0.74 113.55 114.13 1a00 h SER 102 Ca 0.03 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1a00 h SER 102 Cb 1.03 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 1a00 h SER 102 CO 0.10 0.48 0.09 -0.74 -1.14 0.00 0.00 176.83 175.62 1a00 h HIS 103 N 0.85 0.20 0.00 3.45 -0.00 -1.29 -1.74 115.15 116.62 1a00 h HIS 103 Ca 0.30 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.64 1a00 h HIS 103 Cb 0.08 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.42 1a00 h HIS 103 CO -0.05 0.16 -0.18 0.00 -0.00 0.00 0.00 177.93 177.86 1a00 h LEU 105 N 0.00 0.79 -1.01 0.00 3.38 -0.76 -2.09 115.31 115.61 1a00 h LEU 105 Ca -0.00 -0.61 -0.02 0.00 0.09 0.00 0.00 57.88 57.33 1a00 h LEU 105 Cb 0.43 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1a00 h LEU 105 CO 0.02 1.27 0.39 -0.07 0.09 0.00 0.00 178.44 180.15 1a00 h LEU 106 N 0.36 0.98 -0.37 1.67 3.38 -0.83 -1.62 115.31 118.89 1a00 h LEU 106 Ca -0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1a00 h LEU 106 Cb 1.23 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1a00 h LEU 106 CO 0.13 0.81 0.21 0.58 0.09 0.00 0.00 178.44 180.25 1a00 h VAL 107 N 1.09 1.14 -0.29 1.22 2.07 -1.10 0.59 116.25 120.96 1a00 h VAL 107 Ca 0.27 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.47 1a00 h VAL 107 Cb 0.07 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1a00 h VAL 107 CO -0.04 0.14 0.11 0.74 0.02 0.00 0.00 177.57 178.54 1a00 h THR 108 N 0.47 0.93 -0.20 2.57 2.02 -1.06 -1.64 112.91 116.00 1a00 h THR 108 Ca 0.13 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 1a00 h THR 108 Cb 0.05 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1a00 h THR 108 CO -0.02 0.04 0.08 -0.07 0.37 0.00 0.00 175.52 175.93 1a00 h LEU 109 N 0.24 0.27 -0.39 2.58 4.07 -1.15 -2.44 115.31 118.49 1a00 h LEU 109 Ca 0.13 -0.15 0.04 0.00 0.08 0.00 0.00 57.88 57.98 1a00 h LEU 109 Cb 0.09 -0.07 -0.04 0.00 1.08 0.00 0.00 40.66 41.73 1a00 h LEU 109 CO -0.13 0.34 0.17 0.00 -1.08 0.00 0.00 178.44 177.75 1a00 h ALA 110 N 0.93 0.48 0.00 1.53 0.00 -0.64 0.12 119.26 121.68 1a00 h ALA 110 Ca 0.07 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1a00 h ALA 110 Cb 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1a00 h ALA 110 CO -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.04 1a00 n ALA 111 N -2.31 1.69 0.10 0.00 0.00 -0.64 -3.34 120.51 116.01 1a00 n ALA 111 Ca 0.02 0.04 0.01 0.00 0.00 0.00 0.00 53.44 53.51 1a00 n ALA 111 Cb 0.11 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.20 1a00 n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1a00 n HIS 112 N -2.03 0.00 -3.17 0.00 -0.00 -0.94 -4.85 115.22 104.22 1a00 n HIS 112 Ca 0.03 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.53 1a00 n HIS 112 Cb 0.22 -0.02 -0.04 0.00 -0.00 0.00 0.00 29.99 30.15 1a00 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1a00 n LEU 113 N -1.19 1.32 -0.08 2.41 4.77 0.01 -4.98 117.00 119.25 1a00 n LEU 113 Ca 0.00 -5.04 -0.06 0.00 -0.03 0.00 0.00 56.01 50.88 1a00 n LEU 113 Cb 0.05 0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1a00 n LEU 113 CO 0.06 2.23 0.86 1.55 -1.33 0.00 0.00 177.39 180.75 1a00 h PRO 114 N 3.33 0.09 -0.61 3.23 0.13 -1.82 0.11 132.00 136.46 1a00 h PRO 114 Ca 0.10 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 65.14 1a00 h PRO 114 Cb 0.87 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.95 1a00 h PRO 114 CO 0.55 0.06 0.04 0.00 -0.23 0.00 0.00 178.00 178.43 1a00 h ALA 115 N 1.27 0.92 0.00 -0.56 0.00 -1.93 -3.26 119.26 115.70 1a00 h ALA 115 Ca 0.15 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 1a00 h ALA 115 Cb 0.20 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1a00 h ALA 115 CO -0.25 0.65 -0.91 0.93 0.00 0.00 0.00 179.25 179.68 1a00 h GLU 116 N 0.96 0.00 -3.50 0.00 3.07 -1.89 -3.41 114.58 109.81 1a00 h GLU 116 Ca 0.18 0.00 -0.70 0.00 -0.50 0.00 0.00 59.36 58.34 1a00 h GLU 116 Cb 0.49 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.37 1a00 h GLU 116 CO 0.02 0.77 3.28 0.34 -1.40 0.00 0.00 179.01 182.02 1a00 n PHE 117 N -3.27 3.01 -2.04 4.33 7.35 0.34 -4.80 117.46 122.38 1a00 n PHE 117 Ca -0.01 -3.00 -0.28 0.00 -0.76 0.00 0.00 57.45 53.41 1a00 n PHE 117 Cb 0.88 -2.44 0.07 0.00 0.35 0.00 0.00 39.48 38.34 1a00 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1a00 s THR 118 N 2.31 2.32 0.17 -2.13 -4.23 -1.26 -4.82 115.64 108.00 1a00 s THR 118 Ca 0.55 -0.07 -0.14 0.00 -1.18 0.00 0.00 61.69 60.86 1a00 s THR 118 Cb 0.15 -3.06 0.07 0.00 1.34 0.00 0.00 72.50 71.00 1a00 s THR 118 CO -0.07 -0.08 1.75 -0.65 -0.54 0.00 0.00 174.62 175.03 1a00 h PRO 119 N -0.80 0.31 -0.47 3.99 0.11 -1.99 0.91 132.00 134.06 1a00 h PRO 119 Ca -0.45 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 1a00 h PRO 119 Cb 1.31 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1a00 h PRO 119 CO 0.63 0.21 0.14 0.00 -0.21 0.00 0.00 178.00 178.77 1a00 h ALA 120 N 1.30 1.36 0.09 -0.75 0.00 -1.97 -0.42 119.26 118.87 1a00 h ALA 120 Ca 0.21 -0.16 -0.28 0.00 0.00 0.00 0.00 54.91 54.67 1a00 h ALA 120 Cb 0.21 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 17.83 1a00 h ALA 120 CO -0.22 0.47 -1.18 0.28 0.00 0.00 0.00 179.25 178.60 1a00 h VAL 121 N 0.69 1.32 -0.10 0.00 2.07 -1.71 -2.18 116.25 116.34 1a00 h VAL 121 Ca 0.16 -2.49 0.04 0.00 0.82 0.00 0.00 66.70 65.22 1a00 h VAL 121 Cb 0.22 2.64 -0.04 0.00 -1.52 0.00 0.00 31.29 32.59 1a00 h VAL 121 CO -0.01 0.75 -0.14 -0.74 0.02 0.00 0.00 177.57 177.46 1a00 h HIS 122 N 0.26 -0.35 -0.93 1.57 6.17 -0.52 0.91 115.15 122.27 1a00 h HIS 122 Ca -0.16 0.02 0.05 0.00 0.71 0.00 0.00 60.37 60.99 1a00 h HIS 122 Cb 1.85 0.17 -0.06 0.00 2.52 0.00 0.00 27.41 31.89 1a00 h HIS 122 CO 0.10 -0.20 0.60 0.00 0.71 0.00 0.00 177.93 179.13 1a00 h ALA 123 N 0.85 1.26 -0.23 5.26 0.00 -1.05 0.40 119.26 125.75 1a00 h ALA 123 Ca 0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1a00 h ALA 123 Cb 0.30 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1a00 h ALA 123 CO -0.21 0.41 -0.02 0.77 0.00 0.00 0.00 179.25 180.20 1a00 h SER 124 N 1.11 0.41 -0.47 0.00 0.02 -0.84 -2.49 113.55 111.30 1a00 h SER 124 Ca 0.39 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1a00 h SER 124 Cb 0.10 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1a00 h SER 124 CO -0.15 0.64 0.19 -0.07 -1.14 0.00 0.00 176.83 176.30 1a00 h LEU 125 N 0.17 0.64 -0.31 5.07 3.38 -0.47 0.23 115.31 124.01 1a00 h LEU 125 Ca 0.06 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.92 1a00 h LEU 125 Cb 0.45 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 1a00 h LEU 125 CO 0.02 0.63 0.03 -0.78 0.09 0.00 0.00 178.44 178.42 1a00 h ASP 126 N 0.62 -0.07 -0.28 -0.43 3.58 -0.82 -1.85 116.42 117.16 1a00 h ASP 126 Ca 0.16 0.06 -0.07 0.00 0.42 0.00 0.00 57.03 57.60 1a00 h ASP 126 Cb 0.18 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 1a00 h ASP 126 CO -0.01 0.00 -0.03 0.11 -2.88 0.00 0.00 179.24 176.42 1a00 h LYS 127 N 0.12 0.64 -0.17 0.28 1.57 -1.15 -2.22 116.57 115.65 1a00 h LYS 127 Ca 0.15 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1a00 h LYS 127 Cb 0.19 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1a00 h LYS 127 CO -0.23 0.68 -0.01 0.35 -0.57 0.00 0.00 179.45 179.68 1a00 h PHE 128 N 0.60 0.33 -0.56 -1.35 3.57 -0.45 -1.54 116.94 117.53 1a00 h PHE 128 Ca 0.12 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 1a00 h PHE 128 Cb 0.43 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1a00 h PHE 128 CO 0.02 0.52 0.08 -0.07 -2.23 0.00 0.00 178.31 176.63 1a00 h LEU 129 N 0.04 0.86 -1.15 0.59 3.38 -1.34 0.95 115.31 118.64 1a00 h LEU 129 Ca 0.05 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1a00 h LEU 129 Cb 0.39 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1a00 h LEU 129 CO 0.01 0.88 0.10 0.00 0.09 0.00 0.00 178.44 179.52 1a00 h ALA 130 N 1.23 1.32 -0.07 1.53 0.00 -1.30 0.11 119.26 122.08 1a00 h ALA 130 Ca 0.18 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 1a00 h ALA 130 Cb 0.39 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1a00 h ALA 130 CO 0.01 0.48 -0.73 0.77 0.00 0.00 0.00 179.25 179.78 1a00 h SER 131 N 0.68 0.76 -1.01 0.00 0.02 -0.43 -0.10 113.55 113.46 1a00 h SER 131 Ca 0.15 -0.69 0.02 0.00 -0.84 0.00 0.00 61.79 60.43 1a00 h SER 131 Cb 0.27 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.53 1a00 h SER 131 CO -0.00 1.34 0.67 0.58 -1.14 0.00 0.00 176.83 178.27 1a00 h VAL 132 N 0.24 1.23 -0.59 2.27 2.07 -0.58 -0.62 116.25 120.29 1a00 h VAL 132 Ca -0.07 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1a00 h VAL 132 Cb 1.39 -0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1a00 h VAL 132 CO 0.15 0.24 0.32 0.28 0.02 0.00 0.00 177.57 178.58 1a00 h SER 133 N 1.34 0.73 -0.89 0.57 0.02 -0.51 -0.91 113.55 113.90 1a00 h SER 133 Ca 0.38 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1a00 h SER 133 Cb -0.11 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.20 1a00 h SER 133 CO -0.09 0.62 0.52 0.74 -1.14 0.00 0.00 176.83 177.47 1a00 h THR 134 N 0.79 1.25 -0.22 -2.27 2.02 -0.49 -2.18 112.91 111.80 1a00 h THR 134 Ca 0.21 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 1a00 h THR 134 Cb 0.04 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.45 1a00 h THR 134 CO -0.03 0.27 0.06 0.58 0.37 0.00 0.00 175.52 176.77 1a00 h VAL 135 N 1.23 1.20 0.00 3.16 2.07 -0.49 -1.64 116.25 121.78 1a00 h VAL 135 Ca 0.32 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1a00 h VAL 135 Cb -0.03 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1a00 h VAL 135 CO -0.06 0.20 -0.07 -0.07 0.02 0.00 0.00 177.57 177.59 1a00 h LEU 136 N 0.18 0.00 -2.95 2.57 3.38 -0.88 -2.46 115.31 115.15 1a00 h LEU 136 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1a00 h LEU 136 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1a00 h LEU 136 CO -0.00 0.07 0.00 0.35 0.09 0.00 0.00 178.44 178.95 1a00 n THR 137 N -3.89 1.20 0.27 0.22 -2.24 -0.85 -4.43 114.28 104.55 1a00 n THR 137 Ca -0.02 -1.15 0.12 0.00 -2.27 0.00 0.00 64.05 60.73 1a00 n THR 137 Cb 0.17 0.38 0.75 0.00 -2.10 0.00 0.00 70.33 69.53 1a00 n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1a00 h SER 138 N 1.66 0.00 -0.41 3.42 4.64 -0.80 -2.98 113.55 119.09 1a00 h SER 138 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a00 h SER 138 Cb 0.80 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1a00 h SER 138 CO 0.03 0.09 0.00 0.29 -0.87 0.00 0.00 176.83 176.37 1a00 n LYS 139 N -3.81 3.84 -0.31 4.77 5.02 -1.26 -4.66 118.16 121.75 1a00 n LYS 139 Ca -0.02 -3.00 -0.03 0.00 -2.02 0.00 0.00 58.31 53.24 1a00 n LYS 139 Cb 0.19 -2.05 0.12 0.00 -0.02 0.00 0.00 35.03 33.28 1a00 n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1a00 h TYR 140 N 2.81 1.17 0.00 2.13 -1.99 -1.84 -3.45 116.97 115.81 1a00 h TYR 140 Ca 0.00 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1a00 h TYR 140 Cb 1.70 -0.38 0.00 0.00 2.00 0.00 0.00 36.73 40.05 1a00 h TYR 140 CO 0.78 0.80 0.00 2.89 -0.00 0.00 0.00 178.16 182.63