#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ye0 s HIS 2 N 0.00 1.76 -0.13 2.03 5.04 -1.26 -4.87 115.29 117.86 1ye0 s HIS 2 Ca 0.00 0.91 -0.02 0.00 -1.54 0.00 0.00 55.06 54.40 1ye0 s HIS 2 Cb 0.00 -3.85 -0.03 0.00 0.04 0.00 0.00 32.58 28.74 1ye0 s HIS 2 CO 0.00 -1.19 -0.05 -0.51 -2.34 0.00 0.00 174.74 170.64 1ye0 s LEU 3 N 12.20 3.20 0.44 8.88 1.43 -1.26 -5.09 118.68 138.48 1ye0 s LEU 3 Ca 0.72 -0.11 -0.22 0.00 -1.03 0.00 0.00 54.13 53.50 1ye0 s LEU 3 Cb -0.03 -1.75 -0.09 0.00 0.03 0.00 0.00 46.19 44.35 1ye0 s LEU 3 CO 0.12 0.22 1.01 -0.89 0.23 0.00 0.00 176.35 177.04 1ye0 s THR 4 N 0.03 3.99 0.60 5.49 2.01 -1.26 -4.71 115.64 121.78 1ye0 s THR 4 Ca -0.00 1.31 0.29 0.00 0.31 0.00 0.00 61.69 63.60 1ye0 s THR 4 Cb -0.13 -3.57 0.36 0.00 0.01 0.00 0.00 72.50 69.17 1ye0 s THR 4 CO 0.03 -0.19 1.99 1.55 -0.69 0.00 0.00 174.62 177.30 1ye0 h PRO 5 N 1.95 0.00 0.13 4.92 0.13 -1.99 1.51 132.00 138.65 1ye0 h PRO 5 Ca -0.49 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.35 1ye0 h PRO 5 Cb 1.21 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.35 1ye0 h PRO 5 CO 0.61 0.00 -1.23 0.93 -0.23 0.00 0.00 178.00 178.07 1ye0 h GLU 6 N 0.00 0.47 0.41 0.86 3.07 -1.98 -2.38 114.58 115.03 1ye0 h GLU 6 Ca 0.14 -0.67 -0.02 0.00 -0.50 0.00 0.00 59.36 58.30 1ye0 h GLU 6 Cb 0.83 0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 1ye0 h GLU 6 CO -0.00 1.30 -0.20 0.93 -1.40 0.00 0.00 179.01 179.64 1ye0 h GLU 7 N 0.19 -0.53 -0.71 2.33 5.08 -0.13 -0.28 114.58 120.52 1ye0 h GLU 7 Ca -0.17 0.04 0.19 0.00 -1.00 0.00 0.00 59.36 58.42 1ye0 h GLU 7 Cb 1.92 0.12 -0.13 0.00 0.50 0.00 0.00 28.75 31.15 1ye0 h GLU 7 CO 0.22 -0.35 -0.02 1.63 -1.00 0.00 0.00 179.01 179.49 1ye0 n LYS 8 N -4.79 -0.06 0.05 2.33 5.02 0.46 0.16 118.16 121.34 1ye0 n LYS 8 Ca -0.07 1.08 -0.13 0.00 -2.02 0.00 0.00 58.31 57.17 1ye0 n LYS 8 Cb 0.22 -1.70 -0.09 0.00 -0.02 0.00 0.00 35.03 33.45 1ye0 n LYS 8 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1ye0 h SER 9 N 0.00 -0.10 -0.14 4.39 0.87 -1.29 -2.76 113.55 114.53 1ye0 h SER 9 Ca 0.42 -0.26 0.04 0.00 -1.23 0.00 0.00 61.79 60.76 1ye0 h SER 9 Cb 0.83 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.75 1ye0 h SER 9 CO -0.68 0.21 -0.46 0.00 -0.53 0.00 0.00 176.83 175.36 1ye0 h ALA 10 N 0.46 -0.68 -0.78 6.23 0.00 0.16 0.20 119.26 124.84 1ye0 h ALA 10 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ye0 h ALA 10 Cb 0.35 0.86 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1ye0 h ALA 10 CO 0.02 -0.98 0.00 0.28 0.00 0.00 0.00 179.25 178.57 1ye0 n VAL 11 N -5.44 0.00 -0.37 0.00 0.31 -0.86 -2.70 118.33 109.28 1ye0 n VAL 11 Ca -0.05 1.37 -0.01 0.00 -0.01 0.00 0.00 64.34 65.64 1ye0 n VAL 11 Cb 0.37 -1.93 0.04 0.00 -0.91 0.00 0.00 33.84 31.42 1ye0 n VAL 11 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1ye0 h THR 12 N 0.00 0.02 -0.89 2.52 2.02 -1.15 -0.19 112.91 115.24 1ye0 h THR 12 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1ye0 h THR 12 Cb 0.00 0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 66.38 1ye0 h THR 12 CO 0.00 0.00 0.59 0.00 0.37 0.00 0.00 175.52 176.48 1ye0 h ALA 13 N 1.39 1.40 0.00 6.16 0.00 -0.58 -2.80 119.26 124.83 1ye0 h ALA 13 Ca 0.35 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 55.01 1ye0 h ALA 13 Cb 0.60 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1ye0 h ALA 13 CO -0.97 0.53 -0.95 1.25 0.00 0.00 0.00 179.25 179.11 1ye0 h LEU 14 N 1.16 0.00 0.06 0.00 7.12 -0.87 -3.29 115.31 119.48 1ye0 h LEU 14 Ca 0.34 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.35 1ye0 h LEU 14 Cb -0.05 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.08 1ye0 h LEU 14 CO -0.09 0.87 -0.03 -0.25 -0.13 0.00 0.00 178.44 178.81 1ye0 h TRP 15 N 0.00 -0.07 -0.62 1.25 2.91 -0.96 -2.86 115.95 115.60 1ye0 h TRP 15 Ca -0.03 -0.00 0.16 0.00 1.13 0.00 0.00 58.89 60.15 1ye0 h TRP 15 Cb 1.69 0.02 -0.12 0.00 -0.51 0.00 0.00 29.16 30.25 1ye0 h TRP 15 CO 0.00 0.12 -0.01 0.41 -1.03 0.00 0.00 178.44 177.93 1ye0 n GLY 16 N -0.65 -0.87 0.10 2.65 0.00 -1.09 0.36 105.19 105.70 1ye0 n GLY 16 Ca -0.08 0.61 0.02 0.00 0.00 0.00 0.00 46.02 46.57 1ye0 n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ye0 n LYS 17 N -4.83 1.12 -3.00 1.61 5.02 -1.08 -4.89 118.16 112.12 1ye0 n LYS 17 Ca 0.14 -0.19 -0.40 0.00 -2.02 0.00 0.00 58.31 55.84 1ye0 n LYS 17 Cb 0.46 -1.08 -0.04 0.00 -0.02 0.00 0.00 35.03 34.35 1ye0 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ye0 s VAL 18 N -1.93 5.01 -0.68 -0.18 1.01 1.15 -5.00 120.40 119.77 1ye0 s VAL 18 Ca 0.07 1.51 -0.27 0.00 0.00 0.00 0.00 61.98 63.29 1ye0 s VAL 18 Cb 0.03 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.36 1ye0 s VAL 18 CO 0.05 0.21 1.39 0.21 0.00 0.00 0.00 175.10 176.95 1ye0 s ASN 19 N 0.89 6.03 0.33 3.32 3.84 -1.26 -4.89 114.94 123.20 1ye0 s ASN 19 Ca 0.38 -0.17 0.02 0.00 0.21 0.00 0.00 52.86 53.30 1ye0 s ASN 19 Cb -0.18 -2.55 0.59 0.00 -0.55 0.00 0.00 41.25 38.56 1ye0 s ASN 19 CO 0.18 -1.88 1.96 0.58 -2.79 0.00 0.00 177.10 175.14 1ye0 h VAL 20 N 6.23 1.18 0.46 -5.21 2.07 -1.95 -2.58 116.25 116.45 1ye0 h VAL 20 Ca -0.27 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 1ye0 h VAL 20 Cb 1.08 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1ye0 h VAL 20 CO 1.25 0.20 -0.22 0.44 0.02 0.00 0.00 177.57 179.26 1ye0 h ASP 21 N 0.81 -0.52 -0.03 0.57 5.19 -1.94 -1.99 116.42 118.50 1ye0 h ASP 21 Ca 0.21 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.63 1ye0 h ASP 21 Cb 0.03 0.13 -0.00 0.00 0.18 0.00 0.00 39.33 39.67 1ye0 h ASP 21 CO -0.03 -0.36 0.00 -0.33 -3.12 0.00 0.00 179.24 175.40 1ye0 h GLU 22 N -0.62 0.05 0.96 3.56 5.08 -1.94 -2.83 114.58 118.85 1ye0 h GLU 22 Ca -0.06 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1ye0 h GLU 22 Cb 0.48 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.73 1ye0 h GLU 22 CO 0.10 0.30 -0.46 0.28 -1.00 0.00 0.00 179.01 178.23 1ye0 h VAL 23 N -0.20 0.03 -0.84 3.13 2.07 -1.52 -1.83 116.25 117.09 1ye0 h VAL 23 Ca 0.01 -0.02 0.21 0.00 0.82 0.00 0.00 66.70 67.71 1ye0 h VAL 23 Cb 0.27 0.03 -0.14 0.00 -1.52 0.00 0.00 31.29 29.94 1ye0 h VAL 23 CO 0.00 0.00 0.08 1.23 0.02 0.00 0.00 177.57 178.90 1ye0 h GLY 24 N -1.32 1.07 1.04 2.17 0.00 -1.41 0.23 103.07 104.85 1ye0 h GLY 24 Ca -0.13 0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 1ye0 h GLY 24 CO 0.22 -0.35 0.10 -1.33 0.00 0.00 0.00 176.54 175.17 1ye0 h GLY 25 N 0.12 1.07 1.46 4.60 0.00 -1.40 -2.70 103.07 106.23 1ye0 h GLY 25 Ca 0.49 -0.71 -0.14 0.00 0.00 0.00 0.00 47.33 46.97 1ye0 h GLY 25 CO -0.71 0.66 -0.41 -2.09 0.00 0.00 0.00 176.54 174.00 1ye0 h GLU 26 N 0.90 0.59 0.35 4.80 4.81 0.22 0.36 114.58 126.60 1ye0 h GLU 26 Ca 0.18 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1ye0 h GLU 26 Cb 0.43 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 1ye0 h GLU 26 CO 0.01 0.89 -0.19 0.00 -0.73 0.00 0.00 179.01 179.00 1ye0 h ALA 27 N 1.07 -0.49 -0.83 2.92 0.00 -0.75 0.11 119.26 121.29 1ye0 h ALA 27 Ca 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1ye0 h ALA 27 Cb 0.92 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1ye0 h ALA 27 CO 0.08 -0.78 0.48 1.25 0.00 0.00 0.00 179.25 180.28 1ye0 h LEU 28 N -0.50 1.01 0.34 0.00 5.85 -1.43 0.49 115.31 121.07 1ye0 h LEU 28 Ca -0.04 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1ye0 h LEU 28 Cb 0.40 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1ye0 h LEU 28 CO 0.06 0.79 -0.17 1.23 -0.34 0.00 0.00 178.44 180.01 1ye0 h GLY 29 N 1.14 -0.48 1.09 3.75 0.00 -0.51 -2.33 103.07 105.73 1ye0 h GLY 29 Ca 0.29 0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.82 1ye0 h GLY 29 CO -0.05 -0.18 0.61 3.21 0.00 0.00 0.00 176.54 180.13 1ye0 h ARG 30 N -0.46 1.21 -0.58 4.80 3.08 -0.40 -2.03 114.38 120.00 1ye0 h ARG 30 Ca -0.04 -0.07 0.08 0.00 0.07 0.00 0.00 59.98 60.01 1ye0 h ARG 30 Cb 0.36 -0.27 -0.06 0.00 0.08 0.00 0.00 29.97 30.07 1ye0 h ARG 30 CO 0.07 0.80 0.24 1.25 -1.07 0.00 0.00 179.97 181.26 1ye0 h LEU 31 N 1.25 0.28 -0.43 3.04 5.85 -0.60 0.17 115.31 124.87 1ye0 h LEU 31 Ca 0.34 0.06 -0.17 0.00 0.84 0.00 0.00 57.88 58.95 1ye0 h LEU 31 Cb -0.14 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1ye0 h LEU 31 CO -0.07 0.18 -0.79 -0.07 -0.34 0.00 0.00 178.44 177.35 1ye0 h LEU 32 N 0.45 0.06 0.20 2.25 3.38 -0.99 -2.81 115.31 117.85 1ye0 h LEU 32 Ca 0.28 -0.05 -0.29 0.00 0.09 0.00 0.00 57.88 57.91 1ye0 h LEU 32 Cb 0.29 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 41.05 1ye0 h LEU 32 CO -0.25 0.82 -1.34 0.00 0.09 0.00 0.00 178.44 177.76 1ye0 h ALA 33 N 1.17 -0.05 -0.00 1.53 0.00 -0.82 -3.23 119.26 117.86 1ye0 h ALA 33 Ca -0.02 -0.89 -0.20 0.00 0.00 0.00 0.00 54.91 53.81 1ye0 h ALA 33 Cb 1.38 0.24 0.02 0.00 0.00 0.00 0.00 17.79 19.43 1ye0 h ALA 33 CO 0.11 0.67 -0.76 0.28 0.00 0.00 0.00 179.25 179.55 1ye0 h VAL 34 N -0.05 1.37 -2.93 0.00 2.07 -0.78 -3.34 116.25 112.58 1ye0 h VAL 34 Ca -0.25 -2.14 -0.64 0.00 0.82 0.00 0.00 66.70 64.49 1ye0 h VAL 34 Cb 1.97 2.52 -0.40 0.00 -1.52 0.00 0.00 31.29 33.86 1ye0 h VAL 34 CO 0.20 0.64 -0.44 -1.22 0.02 0.00 0.00 177.57 176.77 1ye0 n TYR 35 N -4.09 3.52 0.19 1.57 4.01 -1.06 -4.95 117.16 116.36 1ye0 n TYR 35 Ca -0.11 -4.19 0.02 0.00 -0.16 0.00 0.00 57.90 53.46 1ye0 n TYR 35 Cb 0.75 -0.74 0.11 0.00 -0.31 0.00 0.00 39.34 39.15 1ye0 n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1ye0 n PRO 36 N 1.75 0.05 0.25 -0.72 -0.04 -1.22 -2.05 135.00 133.03 1ye0 n PRO 36 Ca 0.23 0.27 0.16 0.00 -0.04 0.00 0.00 63.50 64.12 1ye0 n PRO 36 Cb 0.37 -1.50 0.65 0.00 -0.04 0.00 0.00 33.50 32.97 1ye0 n PRO 36 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 1ye0 h TRP 37 N 0.00 0.00 0.00 0.54 0.09 -1.91 -2.65 115.95 112.02 1ye0 h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1ye0 h TRP 37 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.28 1ye0 h TRP 37 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 1ye0 h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.73 -2.77 112.91 109.89 1ye0 h THR 38 Ca 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1ye0 h THR 38 Cb 0.50 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1ye0 h THR 38 CO 0.00 0.00 0.08 1.56 -0.25 0.00 0.00 175.52 176.91 1ye0 h GLN 39 N 0.00 0.00 -0.46 4.72 4.20 -1.71 -2.54 115.11 119.32 1ye0 h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ye0 h GLN 39 Cb 0.32 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1ye0 h GLN 39 CO 0.00 0.00 0.29 0.07 -0.67 0.00 0.00 178.83 178.52 1ye0 h ARG 40 N 0.00 0.61 0.00 1.46 0.11 -1.73 -1.87 114.38 112.96 1ye0 h ARG 40 Ca 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1ye0 h ARG 40 Cb 0.17 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 31.11 1ye0 h ARG 40 CO 0.00 0.42 0.00 1.19 0.10 0.00 0.00 179.97 181.68 1ye0 n PHE 41 N -4.45 0.82 -2.44 4.08 3.01 -0.96 -4.00 117.46 113.51 1ye0 n PHE 41 Ca 0.04 0.25 -0.24 0.00 1.01 0.00 0.00 57.45 58.51 1ye0 n PHE 41 Cb 0.07 -0.90 0.01 0.00 -0.01 0.00 0.00 39.48 38.64 1ye0 n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1ye0 n PHE 42 N -2.18 3.00 0.22 1.38 3.01 -0.71 -4.81 117.46 117.37 1ye0 n PHE 42 Ca 0.05 -2.93 0.07 0.00 1.01 0.00 0.00 57.45 55.66 1ye0 n PHE 42 Cb 0.40 -0.16 0.48 0.00 -0.01 0.00 0.00 39.48 40.20 1ye0 n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1ye0 h GLU 43 N 2.57 0.00 -0.37 -1.08 4.39 -1.69 -2.95 114.58 115.45 1ye0 h GLU 43 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1ye0 h GLU 43 Cb 1.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1ye0 h GLU 43 CO 0.78 0.27 0.00 -1.13 -1.16 0.00 0.00 179.01 177.77 1ye0 n SER 44 N -3.78 0.37 0.01 1.42 3.41 -1.26 -3.17 113.62 110.62 1ye0 n SER 44 Ca -0.01 -1.85 0.11 0.00 -0.26 0.00 0.00 58.87 56.85 1ye0 n SER 44 Cb 0.37 -0.19 -0.01 0.00 -0.26 0.00 0.00 64.21 64.13 1ye0 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ye0 n PHE 45 N -0.28 0.09 0.00 7.33 0.99 -1.11 -5.08 117.46 119.40 1ye0 n PHE 45 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.45 57.48 1ye0 n PHE 45 Cb 0.09 -0.24 0.00 0.00 -1.00 0.00 0.00 39.48 38.33 1ye0 n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ye0 n GLY 46 N 1.43 0.64 3.60 1.37 0.00 -1.19 -4.84 105.19 106.20 1ye0 n GLY 46 Ca 0.03 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 1ye0 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ye0 s ASP 47 N -4.00 5.53 -0.30 1.61 3.68 -1.26 -4.81 116.67 117.12 1ye0 s ASP 47 Ca 0.00 1.83 0.17 0.00 2.13 0.00 0.00 52.55 56.68 1ye0 s ASP 47 Cb 0.00 -2.51 0.48 0.00 -1.45 0.00 0.00 42.92 39.44 1ye0 s ASP 47 CO 0.00 -1.91 1.07 0.18 0.13 0.00 0.00 175.17 174.64 1ye0 n LEU 48 N 11.43 2.31 -0.03 -1.34 4.77 -1.26 -4.42 117.00 128.47 1ye0 n LEU 48 Ca 0.29 -3.70 -0.16 0.00 -0.03 0.00 0.00 56.01 52.41 1ye0 n LEU 48 Cb 0.45 0.26 -0.14 0.00 -2.33 0.00 0.00 43.42 41.66 1ye0 n LEU 48 CO 0.66 1.47 -0.81 -1.20 -1.33 0.00 0.00 177.39 176.18 1ye0 n SER 49 N -0.43 1.57 -4.37 -1.43 7.64 -1.26 -4.85 113.62 110.48 1ye0 n SER 49 Ca 0.16 0.22 -0.20 0.00 1.01 0.00 0.00 58.87 60.06 1ye0 n SER 49 Cb 0.82 -0.43 -0.10 0.00 -1.01 0.00 0.00 64.21 63.49 1ye0 n SER 49 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ye0 s THR 50 N -2.56 1.89 0.19 0.44 -4.23 -1.26 -5.00 115.64 105.11 1ye0 s THR 50 Ca -0.17 -2.21 -0.12 0.00 -1.18 0.00 0.00 61.69 58.00 1ye0 s THR 50 Cb 0.07 -2.07 0.12 0.00 1.34 0.00 0.00 72.50 71.97 1ye0 s THR 50 CO 0.77 -0.52 1.71 -0.65 -0.54 0.00 0.00 174.62 175.39 1ye0 h PRO 51 N 2.59 0.22 -0.11 3.99 0.11 -1.95 0.64 132.00 137.49 1ye0 h PRO 51 Ca -0.39 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 1ye0 h PRO 51 Cb 1.23 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1ye0 h PRO 51 CO 0.60 0.15 0.03 -0.44 -0.21 0.00 0.00 178.00 178.13 1ye0 h ASP 52 N 0.23 0.13 0.07 -2.05 3.32 -1.97 0.66 116.42 116.81 1ye0 h ASP 52 Ca 0.26 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 1ye0 h ASP 52 Cb 0.36 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1ye0 h ASP 52 CO -0.35 0.14 -0.03 0.00 -1.72 0.00 0.00 179.24 177.27 1ye0 h ALA 53 N 1.88 -0.10 -1.01 3.45 0.00 -1.33 -2.38 119.26 119.78 1ye0 h ALA 53 Ca 0.04 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.74 1ye0 h ALA 53 Cb 0.06 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 1ye0 h ALA 53 CO -0.00 -0.16 0.65 0.28 0.00 0.00 0.00 179.25 180.01 1ye0 h VAL 54 N -0.88 1.05 0.00 0.00 2.07 0.96 -0.02 116.25 119.43 1ye0 h VAL 54 Ca -0.01 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.05 1ye0 h VAL 54 Cb 0.60 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1ye0 h VAL 54 CO 0.02 0.21 -0.34 0.24 0.02 0.00 0.00 177.57 177.71 1ye0 h MET 55 N 1.14 0.00 0.00 1.57 2.07 0.20 -3.24 114.93 116.67 1ye0 h MET 55 Ca 0.45 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.08 1ye0 h MET 55 Cb 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.97 1ye0 h MET 55 CO -0.19 0.34 -0.86 0.41 1.07 0.00 0.00 176.91 177.68 1ye0 n GLY 56 N 0.72 -1.24 3.66 8.32 0.00 -0.33 -4.92 105.19 111.40 1ye0 n GLY 56 Ca 0.01 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 1ye0 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ye0 s ASN 57 N -3.74 6.61 0.41 1.61 3.84 -0.17 -4.92 114.94 118.59 1ye0 s ASN 57 Ca 0.06 2.37 0.27 0.00 0.21 0.00 0.00 52.86 55.77 1ye0 s ASN 57 Cb 0.15 -2.54 0.85 0.00 -0.55 0.00 0.00 41.25 39.16 1ye0 s ASN 57 CO 0.77 -0.95 1.78 1.55 -2.79 0.00 0.00 177.10 177.46 1ye0 h PRO 58 N 9.57 0.00 -0.00 0.43 0.13 -1.91 -1.77 132.00 138.44 1ye0 h PRO 58 Ca -0.42 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.53 1ye0 h PRO 58 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1ye0 h PRO 58 CO 0.95 0.00 -0.81 0.87 -0.23 0.00 0.00 178.00 178.78 1ye0 h LYS 59 N 0.00 0.11 -0.12 0.86 1.57 -1.91 -1.92 116.57 115.15 1ye0 h LYS 59 Ca 0.00 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.60 1ye0 h LYS 59 Cb 0.71 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 1ye0 h LYS 59 CO 0.00 0.86 -0.20 0.28 -0.57 0.00 0.00 179.45 179.82 1ye0 h VAL 60 N 0.06 1.37 -0.40 0.50 2.07 -1.86 -1.10 116.25 116.90 1ye0 h VAL 60 Ca -0.02 -1.45 0.02 0.00 0.82 0.00 0.00 66.70 66.07 1ye0 h VAL 60 Cb 1.42 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 33.19 1ye0 h VAL 60 CO 0.12 0.42 0.26 0.50 0.02 0.00 0.00 177.57 178.89 1ye0 h LYS 61 N -0.06 0.44 0.11 1.57 1.63 -1.31 -1.36 116.57 117.59 1ye0 h LYS 61 Ca 0.01 -0.03 -0.31 0.00 -0.85 0.00 0.00 60.65 59.47 1ye0 h LYS 61 Cb 0.77 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.29 1ye0 h LYS 61 CO 0.05 0.29 -1.57 0.00 -3.45 0.00 0.00 179.45 174.77 1ye0 h ALA 62 N 1.77 0.31 -0.21 5.00 0.00 -1.25 -3.25 119.26 121.62 1ye0 h ALA 62 Ca 0.16 -1.14 -0.14 0.00 0.00 0.00 0.00 54.91 53.79 1ye0 h ALA 62 Cb 0.07 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ye0 h ALA 62 CO -0.04 1.17 -0.44 1.25 0.00 0.00 0.00 179.25 181.20 1ye0 h HIS 63 N 0.06 0.63 -0.53 0.00 -0.00 -0.99 -3.11 115.15 111.21 1ye0 h HIS 63 Ca -0.26 -0.19 0.07 0.00 -0.00 0.00 0.00 60.37 59.99 1ye0 h HIS 63 Cb 2.02 -0.13 -0.06 0.00 -0.00 0.00 0.00 27.41 29.24 1ye0 h HIS 63 CO 0.06 0.87 0.20 0.78 -0.00 0.00 0.00 177.93 179.85 1ye0 h GLY 64 N 1.09 0.72 1.05 5.26 0.00 -1.34 0.09 103.07 109.94 1ye0 h GLY 64 Ca 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1ye0 h GLY 64 CO 0.08 0.02 0.56 1.70 0.00 0.00 0.00 176.54 178.90 1ye0 h LYS 65 N 0.39 1.26 -0.18 4.80 3.64 -1.57 -1.77 116.57 123.14 1ye0 h LYS 65 Ca 0.25 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1ye0 h LYS 65 Cb 0.26 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1ye0 h LYS 65 CO -0.24 0.88 0.01 -0.22 -2.27 0.00 0.00 179.45 177.60 1ye0 h LYS 66 N 1.28 0.31 0.01 1.90 3.64 -1.21 -0.61 116.57 121.89 1ye0 h LYS 66 Ca 0.33 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.65 1ye0 h LYS 66 Cb -0.05 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 1ye0 h LYS 66 CO -0.06 0.52 -0.29 0.28 -2.27 0.00 0.00 179.45 177.63 1ye0 h VAL 67 N 0.07 0.36 -0.39 2.00 2.07 -0.77 -1.52 116.25 118.08 1ye0 h VAL 67 Ca 0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 1ye0 h VAL 67 Cb 0.37 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1ye0 h VAL 67 CO 0.01 0.00 0.23 -0.07 0.02 0.00 0.00 177.57 177.76 1ye0 h LEU 68 N -0.44 0.46 -0.95 2.57 -0.00 -1.30 -1.22 115.31 114.44 1ye0 h LEU 68 Ca 0.06 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.91 1ye0 h LEU 68 Cb 0.52 -0.12 -0.05 0.00 -0.00 0.00 0.00 40.66 41.02 1ye0 h LEU 68 CO -0.24 0.36 0.56 1.23 -0.00 0.00 0.00 178.44 180.35 1ye0 h GLY 69 N 0.58 1.37 2.00 0.83 0.00 -0.49 0.36 103.07 107.73 1ye0 h GLY 69 Ca 0.14 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 1ye0 h GLY 69 CO -0.03 0.56 -0.16 0.00 0.00 0.00 0.00 176.54 176.91 1ye0 h ALA 70 N 1.31 0.97 -0.14 3.60 0.00 -0.52 -2.35 119.26 122.14 1ye0 h ALA 70 Ca 0.34 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1ye0 h ALA 70 Cb -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ye0 h ALA 70 CO -0.06 0.20 -0.30 0.35 0.00 0.00 0.00 179.25 179.44 1ye0 h PHE 71 N 0.00 0.57 -0.48 0.00 3.57 0.00 -3.08 116.94 117.51 1ye0 h PHE 71 Ca -0.00 -0.21 0.07 0.00 3.53 0.00 0.00 57.97 61.35 1ye0 h PHE 71 Cb 0.81 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.39 1ye0 h PHE 71 CO 0.00 0.92 0.17 0.77 -2.23 0.00 0.00 178.31 177.94 1ye0 h SER 72 N 0.05 0.17 -0.19 0.41 0.02 -0.19 -1.35 113.55 112.47 1ye0 h SER 72 Ca 0.00 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1ye0 h SER 72 Cb 0.90 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 1ye0 h SER 72 CO 0.07 0.12 0.13 0.44 -1.14 0.00 0.00 176.83 176.45 1ye0 h ASP 73 N 0.34 0.18 -0.49 3.07 5.19 -1.46 -2.61 116.42 120.64 1ye0 h ASP 73 Ca 0.23 -0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.51 1ye0 h ASP 73 Cb 0.25 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 1ye0 h ASP 73 CO -0.24 0.13 -0.20 1.23 -3.12 0.00 0.00 179.24 177.04 1ye0 h GLY 74 N 0.22 1.09 1.62 2.75 0.00 -1.17 -2.61 103.07 104.97 1ye0 h GLY 74 Ca 0.08 -0.95 -0.02 0.00 0.00 0.00 0.00 47.33 46.44 1ye0 h GLY 74 CO -0.02 0.87 0.15 1.41 0.00 0.00 0.00 176.54 178.96 1ye0 h LEU 75 N 0.87 0.44 0.00 3.11 3.38 -1.08 0.38 115.31 122.42 1ye0 h LEU 75 Ca 0.12 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ye0 h LEU 75 Cb 0.78 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1ye0 h LEU 75 CO 0.06 0.40 0.00 0.00 0.09 0.00 0.00 178.44 178.99 1ye0 n ALA 76 N -2.48 2.54 -2.07 1.53 0.00 -1.01 -3.33 120.51 115.69 1ye0 n ALA 76 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1ye0 n ALA 76 Cb 0.13 -1.48 0.11 0.00 0.00 0.00 0.00 19.45 18.20 1ye0 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ye0 n HIS 77 N -1.12 0.53 0.19 0.00 8.25 0.12 -4.92 115.22 118.28 1ye0 n HIS 77 Ca 0.19 -1.36 0.16 0.00 -0.26 0.00 0.00 57.72 56.45 1ye0 n HIS 77 Cb 0.16 -0.23 0.61 0.00 1.12 0.00 0.00 29.99 31.65 1ye0 n HIS 77 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1ye0 h LEU 78 N 1.34 0.00 -1.10 2.41 5.85 -1.28 0.40 115.31 122.93 1ye0 h LEU 78 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1ye0 h LEU 78 Cb 1.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1ye0 h LEU 78 CO 0.16 0.00 -0.30 0.47 -0.34 0.00 0.00 178.44 178.43 1ye0 n ASP 79 N -3.12 2.01 -3.06 1.25 9.92 -1.26 -4.36 116.55 117.92 1ye0 n ASP 79 Ca 0.04 -1.50 -0.18 0.00 -0.53 0.00 0.00 54.79 52.63 1ye0 n ASP 79 Cb 0.70 0.27 -0.03 0.00 -0.64 0.00 0.00 41.12 41.42 1ye0 n ASP 79 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1ye0 n ASN 80 N 0.17 -1.26 0.11 -2.24 2.85 0.12 -4.94 115.26 110.07 1ye0 n ASN 80 Ca 0.12 -2.82 -0.03 0.00 -0.11 0.00 0.00 54.58 51.74 1ye0 n ASN 80 Cb 0.46 0.35 0.18 0.00 1.24 0.00 0.00 39.78 42.02 1ye0 n ASN 80 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1ye0 h LEU 81 N 4.46 0.16 0.32 1.20 3.38 -1.74 -2.97 115.31 120.12 1ye0 h LEU 81 Ca 0.05 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1ye0 h LEU 81 Cb 0.96 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1ye0 h LEU 81 CO 0.35 0.67 -0.15 0.11 0.09 0.00 0.00 178.44 179.51 1ye0 h LYS 82 N 0.11 -0.42 -0.32 1.13 1.57 -1.90 0.09 116.57 116.84 1ye0 h LYS 82 Ca -0.00 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1ye0 h LYS 82 Cb 1.00 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 1ye0 h LYS 82 CO 0.08 -0.18 0.17 0.78 -0.57 0.00 0.00 179.45 179.73 1ye0 h GLY 83 N -0.59 0.43 0.96 3.86 0.00 -1.98 0.85 103.07 106.60 1ye0 h GLY 83 Ca -0.04 -0.12 0.13 0.00 0.00 0.00 0.00 47.33 47.30 1ye0 h GLY 83 CO 0.07 0.10 0.39 -0.84 0.00 0.00 0.00 176.54 176.27 1ye0 h THR 84 N 0.35 0.79 -0.01 4.70 2.02 -1.45 -3.00 112.91 116.31 1ye0 h THR 84 Ca 0.13 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.25 1ye0 h THR 84 Cb 0.03 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1ye0 h THR 84 CO -0.08 0.03 0.00 0.49 0.37 0.00 0.00 175.52 176.33 1ye0 n PHE 85 N -4.42 0.00 -0.22 3.16 0.99 0.01 -4.77 117.46 112.21 1ye0 n PHE 85 Ca 0.10 -0.00 -0.07 0.00 -0.00 0.00 0.00 57.45 57.48 1ye0 n PHE 85 Cb 0.52 -0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 38.94 1ye0 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1ye0 h ALA 86 N 1.57 -0.38 -0.67 4.37 0.00 0.85 0.29 119.26 125.29 1ye0 h ALA 86 Ca 0.00 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.05 1ye0 h ALA 86 Cb 0.33 1.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.26 1ye0 h ALA 86 CO 0.00 -0.62 0.44 1.15 0.00 0.00 0.00 179.25 180.23 1ye0 h THR 87 N -0.04 0.97 -0.39 0.00 2.02 -1.86 0.14 112.91 113.75 1ye0 h THR 87 Ca 0.09 -0.21 -0.15 0.00 0.77 0.00 0.00 66.41 66.91 1ye0 h THR 87 Cb 0.27 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 1ye0 h THR 87 CO -0.53 0.11 -0.33 -0.07 0.37 0.00 0.00 175.52 175.07 1ye0 h LEU 88 N 0.61 0.92 0.21 2.58 4.07 -1.55 -2.75 115.31 119.40 1ye0 h LEU 88 Ca 0.30 -0.40 0.01 0.00 0.08 0.00 0.00 57.88 57.87 1ye0 h LEU 88 Cb 0.37 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.83 1ye0 h LEU 88 CO -0.10 1.17 -0.32 -1.28 -1.08 0.00 0.00 178.44 176.83 1ye0 h SER 89 N 0.73 -0.91 -0.25 -0.43 0.87 0.13 -1.93 113.55 111.77 1ye0 h SER 89 Ca 0.07 0.09 0.06 0.00 -1.23 0.00 0.00 61.79 60.79 1ye0 h SER 89 Cb 0.90 0.33 -0.07 0.00 -0.44 0.00 0.00 62.40 63.13 1ye0 h SER 89 CO 0.08 -0.43 -0.19 -0.33 -0.53 0.00 0.00 176.83 175.43 1ye0 h GLU 90 N -0.60 -0.18 -0.21 2.24 5.08 -1.41 0.11 114.58 119.60 1ye0 h GLU 90 Ca 0.01 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1ye0 h GLU 90 Cb 0.59 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.83 1ye0 h GLU 90 CO -0.13 -0.12 -0.15 1.25 -1.00 0.00 0.00 179.01 178.85 1ye0 h LEU 91 N -0.19 -0.50 -1.19 1.33 5.85 -1.31 2.55 115.31 121.86 1ye0 h LEU 91 Ca 0.14 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.92 1ye0 h LEU 91 Cb 0.40 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1ye0 h LEU 91 CO -0.36 -0.20 0.10 0.45 -0.34 0.00 0.00 178.44 178.09 1ye0 h HIS 92 N -0.15 0.68 0.00 1.25 3.86 -1.10 0.10 115.15 119.78 1ye0 h HIS 92 Ca 0.12 -0.05 -0.08 0.00 -1.16 0.00 0.00 60.37 59.20 1ye0 h HIS 92 Cb 0.34 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 1ye0 h HIS 92 CO -0.31 0.59 -0.53 0.00 0.86 0.00 0.00 177.93 178.54 1ye0 h ASP 94 N -1.00 0.00 0.00 0.00 3.32 0.43 -3.07 116.42 116.10 1ye0 h ASP 94 Ca -0.12 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.71 1ye0 h ASP 94 Cb 0.81 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.32 1ye0 h ASP 94 CO -0.07 0.71 -1.80 1.17 -1.72 0.00 0.00 179.24 177.53 1ye0 n LYS 95 N -3.37 0.34 0.05 3.56 3.00 -0.44 -4.74 118.16 116.56 1ye0 n LYS 95 Ca 0.01 0.10 0.11 0.00 -0.00 0.00 0.00 58.31 58.53 1ye0 n LYS 95 Cb 0.78 -1.21 0.02 0.00 0.00 0.00 0.00 35.03 34.63 1ye0 n LYS 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ye0 n LEU 96 N -3.13 0.64 -3.29 3.14 4.77 0.22 -4.98 117.00 114.37 1ye0 n LEU 96 Ca -0.26 0.14 -0.24 0.00 -0.03 0.00 0.00 56.01 55.62 1ye0 n LEU 96 Cb 0.75 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.78 1ye0 n LEU 96 CO 0.10 -0.05 0.05 1.41 -1.33 0.00 0.00 177.39 177.57 1ye0 n HIS 97 N -2.25 -2.13 -2.90 -1.77 8.25 -0.65 -4.97 115.22 108.80 1ye0 n HIS 97 Ca 0.01 0.64 -0.41 0.00 -0.26 0.00 0.00 57.72 57.70 1ye0 n HIS 97 Cb 0.49 -4.22 -0.04 0.00 1.12 0.00 0.00 29.99 27.33 1ye0 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1ye0 s VAL 98 N -3.17 4.93 0.08 1.59 1.01 -0.81 -5.02 120.40 119.01 1ye0 s VAL 98 Ca 0.41 1.65 -0.31 0.00 0.00 0.00 0.00 61.98 63.74 1ye0 s VAL 98 Cb -0.19 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 31.96 1ye0 s VAL 98 CO 0.51 0.11 1.65 -0.62 0.00 0.00 0.00 175.10 176.76 1ye0 s ASP 99 N 1.03 6.60 0.60 3.32 3.68 -1.26 -4.79 116.67 125.84 1ye0 s ASP 99 Ca 0.40 2.51 0.35 0.00 2.13 0.00 0.00 52.55 57.94 1ye0 s ASP 99 Cb -0.18 -2.57 1.93 0.00 -1.45 0.00 0.00 42.92 40.65 1ye0 s ASP 99 CO 0.17 -0.88 2.08 -0.65 0.13 0.00 0.00 175.17 176.01 1ye0 h PRO 100 N 8.18 0.00 -0.03 4.34 0.11 -1.97 -1.59 132.00 141.05 1ye0 h PRO 100 Ca -0.43 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 1ye0 h PRO 100 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1ye0 h PRO 100 CO 0.93 0.00 -0.13 1.49 -0.21 0.00 0.00 178.00 180.08 1ye0 h GLU 101 N 0.00 0.04 -0.42 1.05 4.57 -1.99 -0.08 114.58 117.75 1ye0 h GLU 101 Ca 0.00 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.25 1ye0 h GLU 101 Cb 0.24 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1ye0 h GLU 101 CO 0.00 0.18 0.29 -0.91 -1.18 0.00 0.00 179.01 177.38 1ye0 h ASN 102 N 0.04 0.19 -0.39 1.04 4.21 -1.67 -2.37 115.58 116.64 1ye0 h ASN 102 Ca 0.01 0.00 0.01 0.00 1.21 0.00 0.00 56.30 57.53 1ye0 h ASN 102 Cb 0.26 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.40 1ye0 h ASN 102 CO 0.02 0.12 0.26 -0.26 -1.29 0.00 0.00 177.43 176.28 1ye0 h PHE 103 N 0.22 0.48 -0.12 1.19 0.04 -1.18 0.70 116.94 118.27 1ye0 h PHE 103 Ca 0.19 0.01 -0.22 0.00 2.80 0.00 0.00 57.97 60.75 1ye0 h PHE 103 Cb 0.47 -0.16 0.01 0.00 2.20 0.00 0.00 35.95 38.47 1ye0 h PHE 103 CO -0.00 0.30 -0.79 0.00 -0.60 0.00 0.00 178.31 177.22 1ye0 h ARG 104 N 0.51 0.69 -0.60 1.51 3.08 -1.51 -1.30 114.38 116.77 1ye0 h ARG 104 Ca 0.14 -0.58 -0.03 0.00 0.07 0.00 0.00 59.98 59.59 1ye0 h ARG 104 Cb -0.04 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1ye0 h ARG 104 CO -0.03 1.19 0.27 -0.07 -1.07 0.00 0.00 179.97 180.25 1ye0 h LEU 105 N 0.46 0.81 -0.37 3.04 3.38 -0.98 -0.91 115.31 120.74 1ye0 h LEU 105 Ca -0.05 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1ye0 h LEU 105 Cb 1.41 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1ye0 h LEU 105 CO 0.16 0.74 0.24 0.25 0.09 0.00 0.00 178.44 179.91 1ye0 h LEU 106 N 0.83 0.44 -0.83 1.67 5.85 -0.68 -0.69 115.31 121.89 1ye0 h LEU 106 Ca 0.20 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.93 1ye0 h LEU 106 Cb 0.16 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 1ye0 h LEU 106 CO -0.02 0.33 0.53 1.23 -0.34 0.00 0.00 178.44 180.17 1ye0 h GLY 107 N 0.50 1.20 1.04 3.75 0.00 -0.86 0.40 103.07 109.10 1ye0 h GLY 107 Ca 0.14 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 46.94 1ye0 h GLY 107 CO -0.03 0.35 -0.18 3.43 0.00 0.00 0.00 176.54 180.11 1ye0 h ASN 108 N 1.04 0.89 -0.07 0.19 2.35 -0.63 -0.65 115.58 118.69 1ye0 h ASN 108 Ca 0.33 -0.39 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1ye0 h ASN 108 Cb -0.00 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.12 1ye0 h ASN 108 CO -0.11 1.09 0.02 0.58 -1.65 0.00 0.00 177.43 177.35 1ye0 h VAL 109 N 0.69 1.20 -0.85 2.81 2.07 -0.77 -1.97 116.25 119.42 1ye0 h VAL 109 Ca 0.10 -0.60 0.20 0.00 0.82 0.00 0.00 66.70 67.22 1ye0 h VAL 109 Cb 0.74 1.46 -0.15 0.00 -1.52 0.00 0.00 31.29 31.81 1ye0 h VAL 109 CO 0.06 0.17 -0.03 0.25 0.02 0.00 0.00 177.57 178.04 1ye0 h LEU 110 N -0.10 -0.47 -0.95 2.57 5.85 0.00 0.14 115.31 122.35 1ye0 h LEU 110 Ca 0.02 0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 1ye0 h LEU 110 Cb 0.25 0.43 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1ye0 h LEU 110 CO 0.00 -0.25 0.06 0.58 -0.34 0.00 0.00 178.44 178.49 1ye0 h VAL 111 N 0.06 1.24 -0.25 1.05 2.07 -0.57 -2.72 116.25 117.12 1ye0 h VAL 111 Ca 0.47 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1ye0 h VAL 111 Cb 0.87 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1ye0 h VAL 111 CO -0.79 0.33 0.16 0.00 0.02 0.00 0.00 177.57 177.29 1ye0 h VAL 113 N 0.33 0.71 -0.76 0.00 2.07 -1.05 -1.48 116.25 116.06 1ye0 h VAL 113 Ca 0.09 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.77 1ye0 h VAL 113 Cb -0.03 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 1ye0 h VAL 113 CO -0.02 0.00 0.51 -0.07 0.02 0.00 0.00 177.57 178.01 1ye0 h LEU 114 N -0.11 0.34 -0.01 2.57 3.38 -1.36 0.17 115.31 120.30 1ye0 h LEU 114 Ca 0.08 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ye0 h LEU 114 Cb 0.23 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1ye0 h LEU 114 CO -0.19 0.17 0.00 0.00 0.09 0.00 0.00 178.44 178.51 1ye0 h ALA 115 N 1.65 1.00 0.18 1.53 0.00 -1.07 -1.49 119.26 121.05 1ye0 h ALA 115 Ca 0.37 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.96 1ye0 h ALA 115 Cb 0.94 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.74 1ye0 h ALA 115 CO -0.11 0.00 -1.57 1.25 0.00 0.00 0.00 179.25 178.82 1ye0 h HIS 116 N 0.00 0.69 -0.09 0.00 -0.00 -0.12 -2.71 115.15 112.92 1ye0 h HIS 116 Ca 0.00 -0.50 -0.17 0.00 -0.00 0.00 0.00 60.37 59.69 1ye0 h HIS 116 Cb 0.75 -0.03 0.01 0.00 -0.00 0.00 0.00 27.41 28.14 1ye0 h HIS 116 CO 0.00 1.52 -0.62 0.45 -0.00 0.00 0.00 177.93 179.28 1ye0 h HIS 117 N 0.10 0.80 -0.03 5.26 3.86 -0.83 -3.37 115.15 120.95 1ye0 h HIS 117 Ca -0.27 -0.37 0.00 0.00 -1.16 0.00 0.00 60.37 58.56 1ye0 h HIS 117 Cb 2.08 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 30.44 1ye0 h HIS 117 CO 0.09 1.17 -0.07 1.19 0.86 0.00 0.00 177.93 181.17 1ye0 n PHE 118 N -4.13 0.00 0.00 2.45 3.01 -0.58 -5.01 117.46 113.20 1ye0 n PHE 118 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 1ye0 n PHE 118 Cb 0.67 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.13 1ye0 n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ye0 n GLY 119 N 1.34 2.48 0.38 1.37 0.00 -1.02 -0.74 105.19 109.00 1ye0 n GLY 119 Ca 0.14 0.35 0.15 0.00 0.00 0.00 0.00 46.02 46.66 1ye0 n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ye0 h LYS 120 N 0.00 0.54 0.00 1.61 2.10 -1.95 -2.07 116.57 116.80 1ye0 h LYS 120 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1ye0 h LYS 120 Cb 0.00 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.21 1ye0 h LYS 120 CO 0.00 0.36 0.00 0.93 -2.00 0.00 0.00 179.45 178.74 1ye0 h GLU 121 N 0.56 0.00 -0.99 0.07 5.08 -1.34 -3.17 114.58 114.79 1ye0 h GLU 121 Ca 0.45 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 58.41 1ye0 h GLU 121 Cb 0.89 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.91 1ye0 h GLU 121 CO -0.19 0.00 0.50 0.34 -1.00 0.00 0.00 179.01 178.66 1ye0 n PHE 122 N -2.32 2.39 0.00 4.33 7.35 -0.78 -4.92 117.46 123.51 1ye0 n PHE 122 Ca 0.01 -1.52 0.00 0.00 -0.76 0.00 0.00 57.45 55.18 1ye0 n PHE 122 Cb 0.21 -0.78 0.00 0.00 0.35 0.00 0.00 39.48 39.25 1ye0 n PHE 122 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1ye0 n THR 123 N -0.74 0.00 -0.15 -2.13 -2.24 -1.20 -4.28 114.28 103.54 1ye0 n THR 123 Ca 0.46 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 62.21 1ye0 n THR 123 Cb 1.41 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 69.69 1ye0 n THR 123 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1ye0 h PRO 124 N 0.00 0.11 -0.99 -0.78 0.11 -1.94 0.22 132.00 128.72 1ye0 h PRO 124 Ca 0.00 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.14 1ye0 h PRO 124 Cb 0.00 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 31.03 1ye0 h PRO 124 CO 0.00 0.07 0.65 -1.35 -0.21 0.00 0.00 178.00 177.16 1ye0 h PRO 125 N 0.11 1.22 -0.52 1.05 0.11 -1.99 0.05 132.00 132.03 1ye0 h PRO 125 Ca 0.23 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.21 1ye0 h PRO 125 Cb 0.34 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 1ye0 h PRO 125 CO -0.39 0.81 0.09 0.28 -0.21 0.00 0.00 178.00 178.58 1ye0 h VAL 126 N 1.26 1.25 0.20 3.15 2.07 -1.00 -2.78 116.25 120.39 1ye0 h VAL 126 Ca 0.39 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1ye0 h VAL 126 Cb -0.01 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1ye0 h VAL 126 CO -0.12 0.33 -0.09 -0.61 0.02 0.00 0.00 177.57 177.10 1ye0 h GLN 127 N 0.73 -0.25 -0.75 1.57 4.15 -0.49 -2.05 115.11 118.01 1ye0 h GLN 127 Ca 0.16 0.02 0.17 0.00 0.77 0.00 0.00 58.65 59.76 1ye0 h GLN 127 Cb 0.39 0.06 -0.13 0.00 0.21 0.00 0.00 27.48 28.00 1ye0 h GLN 127 CO 0.01 -0.05 -0.04 0.00 -1.93 0.00 0.00 178.83 176.82 1ye0 h ALA 128 N 0.35 0.72 -0.34 3.38 0.00 -0.89 0.16 119.26 122.64 1ye0 h ALA 128 Ca -0.03 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1ye0 h ALA 128 Cb 0.32 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1ye0 h ALA 128 CO 0.04 -0.42 0.18 0.00 0.00 0.00 0.00 179.25 179.05 1ye0 h ALA 129 N 1.71 0.44 0.00 0.00 0.00 -1.20 -2.36 119.26 117.85 1ye0 h ALA 129 Ca 0.40 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1ye0 h ALA 129 Cb 0.69 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ye0 h ALA 129 CO -0.68 -0.02 -0.07 1.88 0.00 0.00 0.00 179.25 180.35 1ye0 h TYR 130 N 0.42 0.00 -0.19 0.00 0.05 -0.08 -1.55 116.97 115.62 1ye0 h TYR 130 Ca 0.12 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.77 1ye0 h TYR 130 Cb 0.08 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 1ye0 h TYR 130 CO -0.02 0.07 -0.45 1.96 -1.05 0.00 0.00 178.16 178.66 1ye0 h GLN 131 N 0.00 0.46 -0.44 4.88 1.08 -0.42 0.20 115.11 120.87 1ye0 h GLN 131 Ca -0.00 -0.25 -0.13 0.00 -1.45 0.00 0.00 58.65 56.83 1ye0 h GLN 131 Cb 0.12 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 1ye0 h GLN 131 CO 0.01 0.82 -0.21 0.87 -0.95 0.00 0.00 178.83 179.36 1ye0 h LYS 132 N 0.38 0.93 -0.05 1.46 1.57 -1.14 -2.65 116.57 117.07 1ye0 h LYS 132 Ca 0.03 -0.41 -0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1ye0 h LYS 132 Cb 0.93 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.22 1ye0 h LYS 132 CO 0.08 1.07 0.03 0.28 -0.57 0.00 0.00 179.45 180.33 1ye0 h VAL 133 N 0.77 1.06 -0.43 0.50 2.07 -0.51 0.11 116.25 119.81 1ye0 h VAL 133 Ca 0.10 -0.16 -0.14 0.00 0.82 0.00 0.00 66.70 67.32 1ye0 h VAL 133 Cb 0.79 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1ye0 h VAL 133 CO 0.07 0.05 -0.29 -0.37 0.02 0.00 0.00 177.57 177.04 1ye0 h VAL 134 N 0.01 1.27 -0.19 2.57 -1.51 -0.69 -2.23 116.25 115.48 1ye0 h VAL 134 Ca 0.02 -1.46 -0.00 0.00 -1.23 0.00 0.00 66.70 64.03 1ye0 h VAL 134 Cb 0.05 1.24 -0.01 0.00 -2.13 0.00 0.00 31.29 30.45 1ye0 h VAL 134 CO -0.00 0.49 0.10 0.00 -1.23 0.00 0.00 177.57 176.93 1ye0 h ALA 135 N 0.87 1.81 -0.22 5.19 0.00 -1.21 -0.26 119.26 125.43 1ye0 h ALA 135 Ca 0.09 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1ye0 h ALA 135 Cb 0.87 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1ye0 h ALA 135 CO 0.08 0.16 -0.24 0.78 0.00 0.00 0.00 179.25 180.03 1ye0 h GLY 136 N 0.33 0.45 1.09 0.00 0.00 -0.38 -2.56 103.07 102.01 1ye0 h GLY 136 Ca 0.07 -0.36 -0.22 0.00 0.00 0.00 0.00 47.33 46.83 1ye0 h GLY 136 CO -0.01 0.33 -0.79 -2.08 0.00 0.00 0.00 176.54 173.99 1ye0 h VAL 137 N 0.37 1.31 -0.41 4.60 2.07 -0.90 -0.87 116.25 122.42 1ye0 h VAL 137 Ca 0.06 -2.03 -0.10 0.00 0.82 0.00 0.00 66.70 65.44 1ye0 h VAL 137 Cb 0.63 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 1ye0 h VAL 137 CO 0.04 0.63 -0.15 0.00 0.02 0.00 0.00 177.57 178.11 1ye0 h ALA 138 N 0.47 0.57 -0.37 1.67 0.00 -1.06 0.22 119.26 120.76 1ye0 h ALA 138 Ca -0.07 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1ye0 h ALA 138 Cb 1.44 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1ye0 h ALA 138 CO 0.16 0.49 -0.01 -0.91 0.00 0.00 0.00 179.25 178.98 1ye0 h ASN 139 N 0.64 0.56 -0.27 0.00 2.35 -1.43 -0.73 115.58 116.69 1ye0 h ASN 139 Ca 0.10 -0.12 -0.15 0.00 -0.55 0.00 0.00 56.30 55.58 1ye0 h ASN 139 Cb 0.70 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.92 1ye0 h ASN 139 CO 0.05 0.64 -0.43 0.00 -1.65 0.00 0.00 177.43 176.04 1ye0 h ALA 140 N 1.43 0.42 0.00 -0.83 0.00 -0.87 -1.64 119.26 117.76 1ye0 h ALA 140 Ca 0.12 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ye0 h ALA 140 Cb 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ye0 h ALA 140 CO 0.01 0.55 0.00 1.28 0.00 0.00 0.00 179.25 181.09 1ye0 n LEU 141 N -4.14 0.36 -0.20 0.00 4.77 0.75 -1.82 117.00 116.72 1ye0 n LEU 141 Ca -0.05 0.64 0.02 0.00 -0.03 0.00 0.00 56.01 56.60 1ye0 n LEU 141 Cb 0.56 -0.65 0.06 0.00 -2.33 0.00 0.00 43.42 41.06 1ye0 n LEU 141 CO 0.48 -0.67 0.54 0.00 -1.33 0.00 0.00 177.39 176.41 1ye0 n ALA 142 N -1.67 2.09 0.22 -1.18 0.00 -0.41 -4.32 120.51 115.25 1ye0 n ALA 142 Ca 0.00 -1.19 0.08 0.00 0.00 0.00 0.00 53.44 52.32 1ye0 n ALA 142 Cb 0.08 -0.16 0.49 0.00 0.00 0.00 0.00 19.45 19.86 1ye0 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ye0 h HIS 143 N 0.58 0.00 -0.36 0.00 6.17 -0.52 -3.22 115.15 117.80 1ye0 h HIS 143 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 60.37 61.00 1ye0 h HIS 143 Cb 0.62 0.00 -0.05 0.00 2.52 0.00 0.00 27.41 30.51 1ye0 h HIS 143 CO 0.08 0.27 0.03 1.63 0.71 0.00 0.00 177.93 180.64 1ye0 n LYS 144 N -3.73 2.77 -1.38 5.26 4.76 -1.26 -5.00 118.16 119.57 1ye0 n LYS 144 Ca -0.01 -2.97 -0.32 0.00 -2.87 0.00 0.00 58.31 52.14 1ye0 n LYS 144 Cb 0.37 -1.90 0.08 0.00 -1.84 0.00 0.00 35.03 31.75 1ye0 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1ye0 s TYR 145 N -2.96 2.49 0.00 2.13 2.02 -1.22 -4.79 117.35 115.01 1ye0 s TYR 145 Ca 0.45 1.58 0.00 0.00 -0.37 0.00 0.00 57.07 58.72 1ye0 s TYR 145 Cb 0.37 -3.13 0.00 0.00 -0.40 0.00 0.00 41.96 38.80 1ye0 s TYR 145 CO 0.07 -1.88 0.00 -2.39 -1.57 0.00 0.00 175.55 169.78