#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hco n HIS 2 N 0.00 -1.44 -2.67 6.34 -0.00 -1.26 -5.11 115.22 111.08 2hco n HIS 2 Ca 0.00 0.27 -0.03 0.00 -0.00 0.00 0.00 57.72 57.96 2hco n HIS 2 Cb 0.00 0.66 -0.02 0.00 -0.00 0.00 0.00 29.99 30.63 2hco n HIS 2 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2hco n LEU 3 N -2.99 -7.12 -4.76 0.27 7.99 -1.26 -4.95 117.00 104.18 2hco n LEU 3 Ca 0.00 1.88 -0.38 0.00 -0.01 0.00 0.00 56.01 57.50 2hco n LEU 3 Cb 0.00 -3.33 0.01 0.00 -0.11 0.00 0.00 43.42 40.00 2hco n LEU 3 CO 0.00 -3.66 0.92 0.42 -1.51 0.00 0.00 177.39 173.56 2hco s THR 4 N -1.16 2.57 0.45 -5.08 -4.23 -1.26 -4.58 115.64 102.34 2hco s THR 4 Ca -0.14 0.44 0.31 0.00 -1.18 0.00 0.00 61.69 61.12 2hco s THR 4 Cb 0.01 -3.23 0.50 0.00 1.34 0.00 0.00 72.50 71.13 2hco s THR 4 CO 0.79 0.00 1.62 1.55 -0.54 0.00 0.00 174.62 178.04 2hco h PRO 5 N 1.83 0.07 -0.00 3.99 0.13 -1.99 0.53 132.00 136.55 2hco h PRO 5 Ca -0.50 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2hco h PRO 5 Cb 1.27 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2hco h PRO 5 CO 0.59 0.05 -0.26 -0.85 -0.23 0.00 0.00 178.00 177.30 2hco n GLU 6 N -4.65 0.57 -0.06 0.86 0.28 -1.26 -2.91 120.64 113.47 2hco n GLU 6 Ca 0.38 -0.30 -0.22 0.00 -0.16 0.00 0.00 57.16 56.86 2hco n GLU 6 Cb 1.47 -1.49 -0.13 0.00 1.43 0.00 0.00 31.44 32.72 2hco n GLU 6 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2hco n GLU 7 N -0.96 0.67 -0.30 3.44 1.02 0.17 -4.08 120.64 120.60 2hco n GLU 7 Ca 0.11 0.37 0.20 0.00 -0.02 0.00 0.00 57.16 57.82 2hco n GLU 7 Cb 0.33 -1.69 0.49 0.00 -0.02 0.00 0.00 31.44 30.55 2hco n GLU 7 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2hco h LYS 8 N -0.41 0.43 0.08 3.49 3.11 -1.06 -1.37 116.57 120.84 2hco h LYS 8 Ca -0.44 -0.03 -0.25 0.00 -2.81 0.00 0.00 60.65 57.13 2hco h LYS 8 Cb 1.72 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.85 2hco h LYS 8 CO -0.08 0.29 -1.14 0.66 -2.81 0.00 0.00 179.45 176.36 2hco h SER 9 N 0.45 0.27 0.52 4.20 4.64 -1.70 -1.68 113.55 120.25 2hco h SER 9 Ca 0.54 -0.29 -0.15 0.00 -0.47 0.00 0.00 61.79 61.42 2hco h SER 9 Cb 1.30 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 2hco h SER 9 CO -0.25 1.22 -0.66 0.00 -0.87 0.00 0.00 176.83 176.26 2hco h ALA 10 N 0.74 0.84 -0.11 5.18 0.00 -1.42 -0.84 119.26 123.65 2hco h ALA 10 Ca -0.09 -0.59 -0.09 0.00 0.00 0.00 0.00 54.91 54.15 2hco h ALA 10 Cb 1.88 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.58 2hco h ALA 10 CO 0.18 0.79 -0.28 0.28 0.00 0.00 0.00 179.25 180.22 2hco h VAL 11 N 0.09 1.39 -0.05 0.00 2.07 -1.44 -2.84 116.25 115.46 2hco h VAL 11 Ca -0.01 -1.58 -0.11 0.00 0.82 0.00 0.00 66.70 65.81 2hco h VAL 11 Cb 1.18 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 2hco h VAL 11 CO 0.10 0.46 -0.49 0.74 0.02 0.00 0.00 177.57 178.40 2hco h THR 12 N -0.05 1.35 -0.27 2.57 2.02 -1.22 -2.63 112.91 114.68 2hco h THR 12 Ca -0.00 -1.71 0.00 0.00 0.77 0.00 0.00 66.41 65.47 2hco h THR 12 Cb 0.88 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 2hco h THR 12 CO 0.06 0.50 0.00 0.00 0.37 0.00 0.00 175.52 176.45 2hco n ALA 13 N -2.46 2.48 -0.12 6.16 0.00 -0.33 -3.56 120.51 122.68 2hco n ALA 13 Ca -0.02 -0.60 -0.26 0.00 0.00 0.00 0.00 53.44 52.56 2hco n ALA 13 Cb 0.53 -1.02 -0.11 0.00 0.00 0.00 0.00 19.45 18.84 2hco n ALA 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2hco n LEU 14 N 0.48 2.04 0.17 0.00 4.77 -1.00 -4.54 117.00 118.91 2hco n LEU 14 Ca 0.14 0.32 0.15 0.00 -0.03 0.00 0.00 56.01 56.60 2hco n LEU 14 Cb 0.33 -0.88 0.74 0.00 -2.33 0.00 0.00 43.42 41.27 2hco n LEU 14 CO 0.11 0.53 1.13 -0.25 -1.33 0.00 0.00 177.39 177.58 2hco h TRP 15 N -0.88 0.00 0.00 -1.77 2.91 -1.58 -0.87 115.95 113.76 2hco h TRP 15 Ca -0.58 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.44 2hco h TRP 15 Cb 1.57 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.22 2hco h TRP 15 CO -0.02 0.00 0.00 0.41 -1.03 0.00 0.00 178.44 177.80 2hco n GLY 16 N -1.51 -1.44 0.72 2.65 0.00 -1.24 -1.29 105.19 103.08 2hco n GLY 16 Ca 0.02 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.08 2hco n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hco n LYS 17 N -1.59 1.86 -2.80 1.61 5.02 -0.33 -4.93 118.16 117.00 2hco n LYS 17 Ca 0.06 -1.46 -0.42 0.00 -2.02 0.00 0.00 58.31 54.48 2hco n LYS 17 Cb 0.32 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.83 2hco n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2hco s VAL 18 N -2.14 4.82 -1.27 -0.18 1.01 -0.41 -4.96 120.40 117.26 2hco s VAL 18 Ca 0.27 1.80 -0.16 0.00 0.00 0.00 0.00 61.98 63.90 2hco s VAL 18 Cb 0.20 -4.21 0.11 0.00 0.00 0.00 0.00 36.38 32.48 2hco s VAL 18 CO 0.38 -0.02 1.64 -3.20 0.00 0.00 0.00 175.10 173.90 2hco n ASN 19 N 5.43 5.02 -0.34 3.32 2.85 -1.26 -4.85 115.26 125.43 2hco n ASN 19 Ca 0.07 -2.95 0.23 0.00 -0.11 0.00 0.00 54.58 51.82 2hco n ASN 19 Cb 0.48 -1.67 0.46 0.00 1.24 0.00 0.00 39.78 40.30 2hco n ASN 19 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 2hco h VAL 20 N 5.07 0.36 0.00 3.44 -1.51 -1.93 -0.74 116.25 120.95 2hco h VAL 20 Ca 0.40 -0.13 -0.04 0.00 -1.23 0.00 0.00 66.70 65.69 2hco h VAL 20 Cb 0.85 -0.05 -0.01 0.00 -2.13 0.00 0.00 31.29 29.95 2hco h VAL 20 CO 1.40 0.07 -0.21 -0.78 -1.23 0.00 0.00 177.57 176.82 2hco h ASP 21 N 0.38 0.00 0.00 4.19 3.58 -1.94 -1.96 116.42 120.67 2hco h ASP 21 Ca 0.71 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.16 2hco h ASP 21 Cb 1.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.64 2hco h ASP 21 CO -0.55 0.21 0.00 -0.62 -2.88 0.00 0.00 179.24 175.40 2hco n GLU 22 N -4.01 1.75 -0.07 0.28 1.02 -0.40 -4.58 120.64 114.63 2hco n GLU 22 Ca -0.02 -1.16 -0.09 0.00 -0.02 0.00 0.00 57.16 55.88 2hco n GLU 22 Cb 0.29 -0.96 -0.09 0.00 -0.02 0.00 0.00 31.44 30.65 2hco n GLU 22 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2hco n VAL 23 N -0.33 0.92 0.08 2.62 0.31 -0.50 -4.01 118.33 117.42 2hco n VAL 23 Ca 0.00 -0.48 0.06 0.00 -0.01 0.00 0.00 64.34 63.92 2hco n VAL 23 Cb 0.20 -0.84 0.51 0.00 -0.91 0.00 0.00 33.84 32.80 2hco n VAL 23 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2hco h GLY 24 N 2.03 0.37 0.31 2.92 0.00 -1.57 -1.80 103.07 105.34 2hco h GLY 24 Ca -0.36 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2hco h GLY 24 CO -0.01 0.13 -0.98 0.61 0.00 0.00 0.00 176.54 176.28 2hco n GLY 25 N -1.50 -1.09 0.11 4.60 0.00 -1.26 -2.45 105.19 103.60 2hco n GLY 25 Ca 0.02 -0.51 -0.03 0.00 0.00 0.00 0.00 46.02 45.50 2hco n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2hco h GLU 26 N 0.00 0.00 0.04 1.61 4.22 -1.48 -2.26 114.58 116.71 2hco h GLU 26 Ca 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.38 2hco h GLU 26 Cb 0.58 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.84 2hco h GLU 26 CO 0.00 0.73 -0.25 0.00 -2.18 0.00 0.00 179.01 177.31 2hco h ALA 27 N 1.27 -0.02 0.00 2.92 0.00 -1.48 -2.11 119.26 119.84 2hco h ALA 27 Ca -0.01 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 2hco h ALA 27 Cb 1.36 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2hco h ALA 27 CO 0.10 0.11 -0.34 1.25 0.00 0.00 0.00 179.25 180.37 2hco h LEU 28 N -0.76 0.00 -0.04 0.00 7.12 -1.56 -1.24 115.31 118.82 2hco h LEU 28 Ca -0.04 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.95 2hco h LEU 28 Cb 1.17 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.30 2hco h LEU 28 CO 0.05 0.34 -0.05 1.23 -0.13 0.00 0.00 178.44 179.88 2hco h GLY 29 N 1.93 0.12 2.00 3.75 0.00 -1.48 -2.71 103.07 106.67 2hco h GLY 29 Ca -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 2hco h GLY 29 CO 0.04 0.11 -0.03 3.21 0.00 0.00 0.00 176.54 179.87 2hco h ARG 30 N -0.35 0.00 -0.26 4.80 -0.00 -1.08 -2.16 114.38 115.32 2hco h ARG 30 Ca 0.01 0.00 -0.19 0.00 -0.50 0.00 0.00 59.98 59.29 2hco h ARG 30 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.53 2hco h ARG 30 CO 0.01 0.03 -0.59 1.25 0.00 0.00 0.00 179.97 180.67 2hco h LEU 31 N 0.00 0.97 -0.05 3.04 5.85 -0.91 -1.10 115.31 123.10 2hco h LEU 31 Ca -0.00 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.17 2hco h LEU 31 Cb 0.09 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.84 2hco h LEU 31 CO 0.00 1.35 0.00 -0.07 -0.34 0.00 0.00 178.44 179.38 2hco h LEU 32 N 0.64 0.00 0.07 2.25 3.38 -1.25 -1.60 115.31 118.80 2hco h LEU 32 Ca -0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 2hco h LEU 32 Cb 1.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 2hco h LEU 32 CO 0.13 0.00 -1.73 0.52 0.09 0.00 0.00 178.44 177.45 2hco n VAL 33 N -2.61 1.68 0.04 1.22 0.31 -1.05 -3.86 118.33 114.06 2hco n VAL 33 Ca 0.05 -0.40 -0.12 0.00 -0.01 0.00 0.00 64.34 63.86 2hco n VAL 33 Cb 0.46 -1.86 -0.13 0.00 -0.91 0.00 0.00 33.84 31.40 2hco n VAL 33 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2hco h VAL 34 N -0.37 1.25 -2.39 2.52 2.07 -1.27 -3.40 116.25 114.67 2hco h VAL 34 Ca -0.40 -2.97 -0.60 0.00 0.82 0.00 0.00 66.70 63.55 2hco h VAL 34 Cb 1.74 2.70 -0.41 0.00 -1.52 0.00 0.00 31.29 33.80 2hco h VAL 34 CO -0.04 0.79 -0.67 -1.22 0.02 0.00 0.00 177.57 176.44 2hco n TYR 35 N -3.32 2.79 0.42 1.57 4.01 -0.60 -4.99 117.16 117.04 2hco n TYR 35 Ca -0.11 -4.07 0.04 0.00 -0.16 0.00 0.00 57.90 53.60 2hco n TYR 35 Cb 1.01 -0.50 0.23 0.00 -0.31 0.00 0.00 39.34 39.77 2hco n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2hco n PRO 36 N 1.30 0.12 0.26 -0.72 -0.04 -1.25 -2.34 135.00 132.33 2hco n PRO 36 Ca 0.26 0.21 0.16 0.00 -0.04 0.00 0.00 63.50 64.09 2hco n PRO 36 Cb 0.41 -1.50 0.58 0.00 -0.04 0.00 0.00 33.50 32.96 2hco n PRO 36 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 2hco h TRP 37 N 0.00 0.00 0.00 0.54 0.09 -1.90 -1.45 115.95 113.23 2hco h TRP 37 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.89 58.98 2hco h TRP 37 Cb 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.33 2hco h TRP 37 CO 0.00 0.00 -0.02 1.79 0.09 0.00 0.00 178.44 180.30 2hco h THR 38 N 0.00 0.08 0.00 0.12 1.35 -1.79 -2.28 112.91 110.39 2hco h THR 38 Ca 0.00 -0.38 -0.01 0.00 -0.55 0.00 0.00 66.41 65.48 2hco h THR 38 Cb 0.59 1.34 -0.00 0.00 -1.73 0.00 0.00 68.15 68.35 2hco h THR 38 CO 0.00 0.02 -0.04 1.56 -0.25 0.00 0.00 175.52 176.81 2hco h GLN 39 N 0.00 0.00 -0.37 4.72 4.20 -1.49 -2.56 115.11 119.61 2hco h GLN 39 Ca -0.00 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.80 2hco h GLN 39 Cb 0.34 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 2hco h GLN 39 CO 0.00 0.04 0.26 -0.09 -0.67 0.00 0.00 178.83 178.37 2hco h ARG 40 N 0.00 0.06 0.00 1.46 2.43 -1.60 -1.32 114.38 115.42 2hco h ARG 40 Ca -0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2hco h ARG 40 Cb 0.23 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2hco h ARG 40 CO 0.01 0.04 -0.64 1.19 -1.51 0.00 0.00 179.97 179.05 2hco n PHE 41 N -4.45 0.27 -2.37 2.20 3.01 -0.96 -4.16 117.46 111.01 2hco n PHE 41 Ca 0.05 0.08 -0.27 0.00 1.01 0.00 0.00 57.45 58.32 2hco n PHE 41 Cb 0.40 -0.45 0.01 0.00 -0.01 0.00 0.00 39.48 39.43 2hco n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2hco n PHE 42 N -1.83 3.28 1.32 1.38 3.01 -0.50 -4.64 117.46 119.49 2hco n PHE 42 Ca 0.04 -2.93 0.13 0.00 1.01 0.00 0.00 57.45 55.70 2hco n PHE 42 Cb 0.39 -0.18 0.43 0.00 -0.01 0.00 0.00 39.48 40.11 2hco n PHE 42 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2hco n GLU 43 N -0.53 1.80 -0.01 -1.08 1.02 -1.23 -2.92 120.64 117.69 2hco n GLU 43 Ca 0.41 -1.17 0.11 0.00 -0.02 0.00 0.00 57.16 56.49 2hco n GLU 43 Cb 0.70 -1.46 0.61 0.00 -0.02 0.00 0.00 31.44 31.26 2hco n GLU 43 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2hco n SER 44 N 0.41 0.44 -0.11 1.62 3.41 -1.26 -4.28 113.62 113.84 2hco n SER 44 Ca 0.18 -1.38 -0.14 0.00 -0.26 0.00 0.00 58.87 57.26 2hco n SER 44 Cb 0.39 -0.02 -0.13 0.00 -0.26 0.00 0.00 64.21 64.19 2hco n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2hco n PHE 45 N -0.55 0.00 0.00 7.33 0.99 -1.15 -5.13 117.46 118.95 2hco n PHE 45 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.62 2hco n PHE 45 Cb 0.15 -0.95 0.00 0.00 -1.00 0.00 0.00 39.48 37.68 2hco n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2hco n GLY 46 N 2.12 0.59 3.66 1.37 0.00 -1.26 -4.90 105.19 106.76 2hco n GLY 46 Ca -0.39 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.08 2hco n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hco s ASP 47 N -4.00 6.96 -0.08 1.61 3.68 -1.26 -4.87 116.67 118.72 2hco s ASP 47 Ca 0.00 1.60 0.11 0.00 2.13 0.00 0.00 52.55 56.39 2hco s ASP 47 Cb 0.00 -2.54 0.17 0.00 -1.45 0.00 0.00 42.92 39.11 2hco s ASP 47 CO 0.00 -0.76 1.09 0.18 0.13 0.00 0.00 175.17 175.81 2hco n LEU 48 N 6.60 1.35 0.03 -1.34 4.77 -1.26 -4.42 117.00 122.73 2hco n LEU 48 Ca 0.14 -2.22 -0.04 0.00 -0.03 0.00 0.00 56.01 53.86 2hco n LEU 48 Cb 0.45 -0.25 -0.10 0.00 -2.33 0.00 0.00 43.42 41.20 2hco n LEU 48 CO 0.55 0.53 -0.23 -1.28 -1.33 0.00 0.00 177.39 175.63 2hco h SER 49 N 0.04 0.00 -4.23 -1.43 0.87 -1.91 -3.46 113.55 103.43 2hco h SER 49 Ca -0.00 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.04 2hco h SER 49 Cb 1.18 0.00 -0.29 0.00 -0.44 0.00 0.00 62.40 62.85 2hco h SER 49 CO 0.00 0.79 -0.82 0.42 -0.53 0.00 0.00 176.83 176.69 2hco s THR 50 N -2.77 1.23 0.56 2.23 -4.23 -1.26 -5.04 115.64 106.35 2hco s THR 50 Ca -0.02 -0.66 0.27 0.00 -1.18 0.00 0.00 61.69 60.10 2hco s THR 50 Cb 0.08 -1.02 0.39 0.00 1.34 0.00 0.00 72.50 73.29 2hco s THR 50 CO 0.81 0.35 1.99 1.55 -0.54 0.00 0.00 174.62 178.78 2hco h PRO 51 N 5.79 0.00 -0.32 3.99 0.13 -1.99 0.79 132.00 140.39 2hco h PRO 51 Ca -0.35 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.65 2hco h PRO 51 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2hco h PRO 51 CO 0.49 0.00 -0.30 -0.44 -0.23 0.00 0.00 178.00 177.51 2hco h ASP 52 N 0.00 0.70 0.15 1.44 3.32 -1.99 -2.72 116.42 117.33 2hco h ASP 52 Ca 0.21 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2hco h ASP 52 Cb 0.95 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.31 2hco h ASP 52 CO -0.00 0.96 0.00 0.00 -1.72 0.00 0.00 179.24 178.48 2hco n ALA 53 N -2.50 2.38 -0.11 3.45 0.00 0.27 -2.42 120.51 121.57 2hco n ALA 53 Ca -0.01 -0.14 -0.17 0.00 0.00 0.00 0.00 53.44 53.12 2hco n ALA 53 Cb 0.47 -1.41 -0.10 0.00 0.00 0.00 0.00 19.45 18.41 2hco n ALA 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2hco n VAL 54 N -1.09 1.26 0.84 0.00 0.31 -1.05 -3.85 118.33 114.75 2hco n VAL 54 Ca 0.17 -0.45 0.10 0.00 -0.01 0.00 0.00 64.34 64.15 2hco n VAL 54 Cb 0.12 -1.37 0.49 0.00 -0.91 0.00 0.00 33.84 32.18 2hco n VAL 54 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 2hco n MET 55 N -3.29 0.11 -0.54 5.55 2.00 -1.07 -1.81 117.12 118.06 2hco n MET 55 Ca -0.40 0.11 0.07 0.00 0.00 0.00 0.00 57.70 57.48 2hco n MET 55 Cb 0.90 -1.50 0.17 0.00 0.00 0.00 0.00 33.22 32.78 2hco n MET 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2hco n GLY 56 N 0.67 4.52 3.55 3.03 0.00 -1.02 -4.96 105.19 110.98 2hco n GLY 56 Ca 0.07 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 2hco n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2hco s ASN 57 N -2.94 6.20 0.56 1.61 3.84 -0.75 -4.92 114.94 118.53 2hco s ASN 57 Ca 0.35 -0.14 0.26 0.00 0.21 0.00 0.00 52.86 53.53 2hco s ASN 57 Cb 0.33 -2.21 1.61 0.00 -0.55 0.00 0.00 41.25 40.44 2hco s ASN 57 CO -0.05 -0.34 2.19 -0.65 -2.79 0.00 0.00 177.10 175.47 2hco h PRO 58 N 8.43 0.00 -0.07 0.43 0.11 -1.93 0.41 132.00 139.38 2hco h PRO 58 Ca -0.30 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.74 2hco h PRO 58 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2hco h PRO 58 CO 0.70 0.03 -0.25 0.87 -0.21 0.00 0.00 178.00 179.13 2hco h LYS 59 N 0.00 0.29 0.00 1.05 1.79 -1.91 -1.56 116.57 116.23 2hco h LYS 59 Ca -0.00 -0.22 -0.06 0.00 -2.18 0.00 0.00 60.65 58.19 2hco h LYS 59 Cb 0.07 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 2hco h LYS 59 CO 0.00 0.85 -0.28 0.28 -1.08 0.00 0.00 179.45 179.23 2hco h VAL 60 N -0.21 1.01 0.00 0.50 2.07 -1.37 -0.00 116.25 118.24 2hco h VAL 60 Ca -0.01 -1.04 -0.05 0.00 0.82 0.00 0.00 66.70 66.42 2hco h VAL 60 Cb 0.89 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 2hco h VAL 60 CO 0.05 0.28 -0.39 0.07 0.02 0.00 0.00 177.57 177.60 2hco h LYS 61 N 0.00 0.00 0.05 1.57 2.10 -0.97 -2.94 116.57 116.37 2hco h LYS 61 Ca -0.00 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.48 2hco h LYS 61 Cb 0.57 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.91 2hco h LYS 61 CO 0.04 0.22 -0.68 0.00 -2.00 0.00 0.00 179.45 177.02 2hco h ALA 62 N 1.76 0.02 -0.08 0.07 0.00 -0.11 -3.20 119.26 117.72 2hco h ALA 62 Ca -0.01 -0.61 -0.16 0.00 0.00 0.00 0.00 54.91 54.12 2hco h ALA 62 Cb 1.19 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2hco h ALA 62 CO 0.03 0.36 -0.65 1.25 0.00 0.00 0.00 179.25 180.24 2hco h HIS 63 N -0.19 0.40 0.00 0.00 -0.00 -1.14 -2.65 115.15 111.57 2hco h HIS 63 Ca -0.10 -0.16 -0.02 0.00 -0.00 0.00 0.00 60.37 60.08 2hco h HIS 63 Cb 1.43 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 28.77 2hco h HIS 63 CO 0.16 0.87 -0.11 0.78 -0.00 0.00 0.00 177.93 179.63 2hco h GLY 64 N 1.42 0.00 2.00 5.26 0.00 -1.60 -1.42 103.07 108.73 2hco h GLY 64 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.20 2hco h GLY 64 CO 0.11 0.00 -0.55 1.70 0.00 0.00 0.00 176.54 177.79 2hco h LYS 65 N 0.00 0.00 0.00 4.80 3.64 -1.46 -1.05 116.57 122.50 2hco h LYS 65 Ca -0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 2hco h LYS 65 Cb 0.29 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2hco h LYS 65 CO 0.01 0.55 -0.32 0.87 -2.27 0.00 0.00 179.45 178.30 2hco h LYS 66 N 0.00 0.00 0.13 1.90 6.56 -1.32 -2.34 116.57 121.51 2hco h LYS 66 Ca -0.01 0.00 -0.32 0.00 -1.06 0.00 0.00 60.65 59.26 2hco h LYS 66 Cb 1.10 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.76 2hco h LYS 66 CO 0.07 0.32 -1.63 0.28 -2.06 0.00 0.00 179.45 176.42 2hco h VAL 67 N 0.00 1.04 0.00 0.50 2.07 -1.03 -2.52 116.25 116.30 2hco h VAL 67 Ca -0.00 -2.68 0.00 0.00 0.82 0.00 0.00 66.70 64.84 2hco h VAL 67 Cb 0.75 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 33.25 2hco h VAL 67 CO 0.04 0.82 0.00 -0.07 0.02 0.00 0.00 177.57 178.38 2hco h LEU 68 N 0.08 0.00 -0.03 2.57 3.38 -1.23 -2.12 115.31 117.95 2hco h LEU 68 Ca -0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 2hco h LEU 68 Cb 2.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.79 2hco h LEU 68 CO 0.16 0.00 0.02 1.23 0.09 0.00 0.00 178.44 179.94 2hco h GLY 69 N 2.07 0.05 1.92 0.83 0.00 -1.25 -0.72 103.07 105.96 2hco h GLY 69 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2hco h GLY 69 CO 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 176.54 176.51 2hco n ALA 70 N -2.14 2.41 0.10 3.60 0.00 -0.85 -1.41 120.51 122.23 2hco n ALA 70 Ca -0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 53.44 53.25 2hco n ALA 70 Cb 0.06 -1.44 -0.01 0.00 0.00 0.00 0.00 19.45 18.06 2hco n ALA 70 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2hco h PHE 71 N 0.00 0.00 -0.12 0.00 -1.00 -1.05 -2.50 116.94 112.27 2hco h PHE 71 Ca 0.00 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.59 2hco h PHE 71 Cb 0.56 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.12 2hco h PHE 71 CO 0.00 0.75 -0.72 0.77 -1.61 0.00 0.00 178.31 177.50 2hco h SER 72 N 0.00 0.65 0.75 2.17 0.02 -0.15 0.27 113.55 117.25 2hco h SER 72 Ca -0.01 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 2hco h SER 72 Cb 1.52 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.87 2hco h SER 72 CO 0.10 1.17 0.00 0.44 -1.14 0.00 0.00 176.83 177.40 2hco h ASP 73 N 0.38 0.00 0.05 3.07 3.32 -1.17 -3.05 116.42 119.02 2hco h ASP 73 Ca -0.03 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.64 2hco h ASP 73 Cb 1.31 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.81 2hco h ASP 73 CO 0.13 0.00 -2.25 0.61 -1.72 0.00 0.00 179.24 176.01 2hco n GLY 74 N -0.20 -0.46 0.23 2.75 0.00 -0.81 -3.87 105.19 102.83 2hco n GLY 74 Ca 0.00 -0.21 0.16 0.00 0.00 0.00 0.00 46.02 45.98 2hco n GLY 74 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2hco h LEU 75 N -0.05 0.00 -5.57 0.99 5.85 -0.39 -2.86 115.31 113.29 2hco h LEU 75 Ca -0.52 0.00 -0.39 0.00 0.84 0.00 0.00 57.88 57.82 2hco h LEU 75 Cb 1.92 0.00 -0.32 0.00 0.37 0.00 0.00 40.66 42.64 2hco h LEU 75 CO -0.04 0.00 -0.95 0.00 -0.34 0.00 0.00 178.44 177.12 2hco n ALA 76 N -1.92 1.31 -2.33 1.25 0.00 -1.21 -4.74 120.51 112.87 2hco n ALA 76 Ca -0.01 -2.73 -0.02 0.00 0.00 0.00 0.00 53.44 50.68 2hco n ALA 76 Cb 0.10 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.59 2hco n ALA 76 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2hco n HIS 77 N 0.23 -0.73 1.02 0.00 -0.00 -1.08 -4.96 115.22 109.69 2hco n HIS 77 Ca 0.17 -0.68 0.05 0.00 0.46 0.00 0.00 57.72 57.71 2hco n HIS 77 Cb 0.70 0.86 0.29 0.00 -0.12 0.00 0.00 29.99 31.71 2hco n HIS 77 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2hco n LEU 78 N -0.55 0.00 0.05 0.27 4.77 -1.19 -3.92 117.00 116.43 2hco n LEU 78 Ca -0.11 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.70 2hco n LEU 78 Cb 0.63 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.58 2hco n LEU 78 CO -0.08 0.00 -0.42 -0.78 -1.33 0.00 0.00 177.39 174.78 2hco h ASP 79 N 0.00 0.37 -3.70 -1.43 -0.00 -1.95 -3.40 116.42 106.32 2hco h ASP 79 Ca 0.00 -0.57 -0.65 0.00 -0.00 0.00 0.00 57.03 55.82 2hco h ASP 79 Cb 0.00 -0.12 -0.39 0.00 -0.00 0.00 0.00 39.33 38.82 2hco h ASP 79 CO 0.00 1.48 -0.76 0.21 -0.00 0.00 0.00 179.24 180.17 2hco s ASN 80 N -6.92 4.44 0.02 2.28 2.47 -1.25 -4.90 114.94 111.07 2hco s ASN 80 Ca -0.11 -1.70 0.20 0.00 0.42 0.00 0.00 52.86 51.68 2hco s ASN 80 Cb 0.07 -1.46 -0.20 0.00 -1.45 0.00 0.00 41.25 38.21 2hco s ASN 80 CO 0.84 -0.30 0.63 -0.11 -3.72 0.00 0.00 177.10 174.44 2hco n LEU 81 N 4.43 0.41 -0.31 3.21 7.94 -1.26 -3.94 117.00 127.48 2hco n LEU 81 Ca -0.05 0.17 -0.05 0.00 -1.11 0.00 0.00 56.01 54.97 2hco n LEU 81 Cb 0.42 0.08 0.07 0.00 0.53 0.00 0.00 43.42 44.53 2hco n LEU 81 CO 0.20 0.07 1.11 0.11 -1.11 0.00 0.00 177.39 177.77 2hco h LYS 82 N 0.00 1.20 0.00 1.96 6.56 -1.90 -3.26 116.57 121.13 2hco h LYS 82 Ca -0.13 -0.18 -0.01 0.00 -1.06 0.00 0.00 60.65 59.28 2hco h LYS 82 Cb 1.34 -0.22 -0.00 0.00 -0.57 0.00 0.00 32.23 32.78 2hco h LYS 82 CO 0.02 0.92 -1.40 0.41 -2.06 0.00 0.00 179.45 177.34 2hco n GLY 83 N -1.01 -1.28 0.23 3.86 0.00 -1.25 -3.67 105.19 102.07 2hco n GLY 83 Ca 0.08 -0.33 0.15 0.00 0.00 0.00 0.00 46.02 45.92 2hco n GLY 83 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2hco h THR 84 N 0.00 0.00 -0.12 2.61 2.02 -1.71 -3.26 112.91 112.45 2hco h THR 84 Ca -0.02 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.52 2hco h THR 84 Cb 1.05 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 69.07 2hco h THR 84 CO 0.00 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.38 2hco n PHE 85 N -2.94 0.15 -0.21 3.16 0.99 -1.25 -4.76 117.46 112.61 2hco n PHE 85 Ca 0.02 -0.16 0.01 0.00 -0.00 0.00 0.00 57.45 57.32 2hco n PHE 85 Cb 0.38 -0.01 0.10 0.00 -1.00 0.00 0.00 39.48 38.96 2hco n PHE 85 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2hco h ALA 86 N 2.18 0.61 -0.23 4.37 0.00 -1.63 0.33 119.26 124.89 2hco h ALA 86 Ca 0.00 0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 2hco h ALA 86 Cb 0.56 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2hco h ALA 86 CO 0.00 -0.40 -0.46 1.79 0.00 0.00 0.00 179.25 180.19 2hco h THR 87 N 0.11 1.31 0.00 0.00 1.35 -1.88 -0.95 112.91 112.85 2hco h THR 87 Ca 0.33 -1.66 -0.14 0.00 -0.55 0.00 0.00 66.41 64.39 2hco h THR 87 Cb 0.53 1.62 -0.02 0.00 -1.73 0.00 0.00 68.15 68.55 2hco h THR 87 CO -0.54 0.52 -0.68 -0.07 -0.25 0.00 0.00 175.52 174.51 2hco h LEU 88 N 0.47 0.00 -0.51 3.87 3.38 -1.64 0.14 115.31 121.02 2hco h LEU 88 Ca 0.03 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 2hco h LEU 88 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2hco h LEU 88 CO 0.09 0.68 -0.62 -1.28 0.09 0.00 0.00 178.44 177.39 2hco h SER 89 N 0.00 0.51 0.64 -0.43 0.87 -0.14 0.23 113.55 115.24 2hco h SER 89 Ca -0.01 -0.29 -0.09 0.00 -1.23 0.00 0.00 61.79 60.17 2hco h SER 89 Cb 1.20 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.00 2hco h SER 89 CO 0.09 1.00 -0.44 -0.08 -0.53 0.00 0.00 176.83 176.87 2hco h GLU 90 N 0.33 0.00 0.10 2.24 4.81 -0.77 -0.01 114.58 121.28 2hco h GLU 90 Ca -0.01 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.94 2hco h GLU 90 Cb 1.17 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.57 2hco h GLU 90 CO 0.11 0.44 -1.20 1.25 -0.73 0.00 0.00 179.01 178.88 2hco h LEU 91 N 0.00 0.72 0.00 1.64 7.12 -0.19 -3.12 115.31 121.48 2hco h LEU 91 Ca -0.00 -0.67 -0.24 0.00 0.13 0.00 0.00 57.88 57.09 2hco h LEU 91 Cb 0.87 -0.23 -0.04 0.00 -0.53 0.00 0.00 40.66 40.74 2hco h LEU 91 CO 0.06 1.49 -1.50 0.45 -0.13 0.00 0.00 178.44 178.81 2hco h HIS 92 N 0.22 0.00 0.00 1.25 3.86 -0.25 -2.93 115.15 117.31 2hco h HIS 92 Ca -0.16 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 2hco h HIS 92 Cb 1.87 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.34 2hco h HIS 92 CO 0.09 0.88 -0.12 0.00 0.86 0.00 0.00 177.93 179.65 2hco n ASP 94 N -2.99 4.50 0.00 0.00 5.68 -1.18 -2.45 116.55 120.10 2hco n ASP 94 Ca -0.02 -3.68 0.00 0.00 -0.50 0.00 0.00 54.79 50.59 2hco n ASP 94 Cb 0.06 -0.83 0.00 0.00 -1.14 0.00 0.00 41.12 39.21 2hco n ASP 94 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2hco n LYS 95 N -1.08 0.00 -0.00 0.11 4.76 -1.22 -4.88 118.16 115.85 2hco n LYS 95 Ca 0.57 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 56.06 2hco n LYS 95 Cb 1.34 -0.40 -0.07 0.00 -1.84 0.00 0.00 35.03 34.06 2hco n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2hco n LEU 96 N -2.47 0.30 -3.65 -0.35 4.77 -1.11 -5.01 117.00 109.48 2hco n LEU 96 Ca 0.00 -0.29 -0.23 0.00 -0.03 0.00 0.00 56.01 55.46 2hco n LEU 96 Cb 0.23 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.39 2hco n LEU 96 CO 0.00 0.07 0.14 1.41 -1.33 0.00 0.00 177.39 177.69 2hco n HIS 97 N -1.53 -2.46 -2.55 -1.77 8.25 -0.90 -4.95 115.22 109.30 2hco n HIS 97 Ca 0.00 0.95 -0.43 0.00 -0.26 0.00 0.00 57.72 57.99 2hco n HIS 97 Cb 0.23 -4.72 -0.02 0.00 1.12 0.00 0.00 29.99 26.60 2hco n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2hco s VAL 98 N -3.38 4.49 0.31 1.59 1.01 -0.46 -4.99 120.40 118.98 2hco s VAL 98 Ca 0.39 1.79 -0.29 0.00 0.00 0.00 0.00 61.98 63.87 2hco s VAL 98 Cb -0.18 -4.16 -0.11 0.00 0.00 0.00 0.00 36.38 31.93 2hco s VAL 98 CO 0.76 -0.13 1.50 -0.62 0.00 0.00 0.00 175.10 176.62 2hco s ASP 99 N 1.53 6.47 0.45 3.32 2.15 -1.26 -4.74 116.67 124.59 2hco s ASP 99 Ca 0.50 2.88 0.26 0.00 0.43 0.00 0.00 52.55 56.62 2hco s ASP 99 Cb -0.19 -2.64 1.41 0.00 -0.30 0.00 0.00 42.92 41.20 2hco s ASP 99 CO 0.12 -0.82 1.77 -0.65 -0.17 0.00 0.00 175.17 175.42 2hco h PRO 100 N 4.27 0.00 0.00 4.34 0.11 -1.98 -1.58 132.00 137.16 2hco h PRO 100 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2hco h PRO 100 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2hco h PRO 100 CO 0.74 0.00 -0.46 -1.91 -0.21 0.00 0.00 178.00 176.16 2hco n GLU 101 N -2.48 0.12 0.19 1.05 4.07 -1.26 -2.62 120.64 119.72 2hco n GLU 101 Ca -0.02 0.04 0.06 0.00 -0.06 0.00 0.00 57.16 57.18 2hco n GLU 101 Cb 0.16 -1.58 0.36 0.00 -0.06 0.00 0.00 31.44 30.31 2hco n GLU 101 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 2hco h ASN 102 N 0.00 0.00 0.48 4.31 4.21 -1.65 -1.23 115.58 121.70 2hco h ASN 102 Ca 0.00 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.44 2hco h ASN 102 Cb 0.60 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.79 2hco h ASN 102 CO 0.00 0.36 -0.33 -0.26 -1.29 0.00 0.00 177.43 175.91 2hco h PHE 103 N 0.00 0.00 0.05 1.19 0.04 -1.64 -1.11 116.94 115.47 2hco h PHE 103 Ca -0.00 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.52 2hco h PHE 103 Cb 0.85 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.99 2hco h PHE 103 CO 0.00 0.33 -1.19 0.00 -0.60 0.00 0.00 178.31 176.86 2hco h ARG 104 N 0.00 0.11 -0.31 1.51 3.08 -1.32 -3.02 114.38 114.43 2hco h ARG 104 Ca -0.00 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 2hco h ARG 104 Cb 0.67 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 2hco h ARG 104 CO 0.04 1.04 0.07 -0.07 -1.07 0.00 0.00 179.97 179.99 2hco h LEU 105 N 0.03 0.48 -0.82 3.04 3.38 -0.70 -1.03 115.31 119.68 2hco h LEU 105 Ca -0.10 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 2hco h LEU 105 Cb 1.88 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 42.46 2hco h LEU 105 CO 0.15 0.59 0.43 0.25 0.09 0.00 0.00 178.44 179.95 2hco h LEU 106 N 0.35 1.05 -0.83 1.67 5.85 -1.29 0.95 115.31 123.06 2hco h LEU 106 Ca 0.10 -0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.59 2hco h LEU 106 Cb 0.30 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2hco h LEU 106 CO 0.00 0.87 -0.56 1.23 -0.34 0.00 0.00 178.44 179.64 2hco h GLY 107 N 1.16 0.00 0.92 3.75 0.00 -1.42 -1.40 103.07 106.07 2hco h GLY 107 Ca 0.29 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.50 2hco h GLY 107 CO -0.04 0.00 -0.29 3.43 0.00 0.00 0.00 176.54 179.64 2hco h ASN 108 N 0.00 0.67 0.82 0.19 -0.26 0.05 -2.18 115.58 114.86 2hco h ASN 108 Ca -0.01 -0.49 -0.07 0.00 -0.56 0.00 0.00 56.30 55.17 2hco h ASN 108 Cb 1.03 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 38.09 2hco h ASN 108 CO 0.07 1.03 -0.35 -0.37 -1.06 0.00 0.00 177.43 176.75 2hco h VAL 109 N 0.32 0.84 -0.79 2.81 -1.51 -0.67 -1.89 116.25 115.36 2hco h VAL 109 Ca 0.03 -1.42 -0.03 0.00 -1.23 0.00 0.00 66.70 64.04 2hco h VAL 109 Cb 0.86 1.88 -0.04 0.00 -2.13 0.00 0.00 31.29 31.86 2hco h VAL 109 CO 0.07 0.34 0.36 0.25 -1.23 0.00 0.00 177.57 177.36 2hco h LEU 110 N 0.00 1.05 -0.80 4.19 6.46 -1.05 0.27 115.31 125.43 2hco h LEU 110 Ca -0.00 -0.13 -0.12 0.00 -0.12 0.00 0.00 57.88 57.50 2hco h LEU 110 Cb 0.85 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 2hco h LEU 110 CO 0.05 0.89 -0.47 0.58 -0.62 0.00 0.00 178.44 178.87 2hco h VAL 111 N 1.13 1.33 0.00 1.05 2.07 -0.72 0.31 116.25 121.43 2hco h VAL 111 Ca 0.27 -1.66 -0.07 0.00 0.82 0.00 0.00 66.70 66.06 2hco h VAL 111 Cb 0.14 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2hco h VAL 111 CO -0.03 0.50 -0.34 0.00 0.02 0.00 0.00 177.57 177.72 2hco h VAL 113 N 0.00 1.42 -0.25 0.00 2.07 -0.08 -0.66 116.25 118.74 2hco h VAL 113 Ca -0.00 -3.16 -0.14 0.00 0.82 0.00 0.00 66.70 64.21 2hco h VAL 113 Cb 0.68 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 33.14 2hco h VAL 113 CO 0.04 0.81 -0.43 -0.07 0.02 0.00 0.00 177.57 177.95 2hco h LEU 114 N 0.00 0.66 -0.32 2.57 3.38 0.17 -2.10 115.31 119.66 2hco h LEU 114 Ca -0.10 -0.30 -0.17 0.00 0.09 0.00 0.00 57.88 57.40 2hco h LEU 114 Cb 1.83 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.40 2hco h LEU 114 CO 0.11 1.00 -0.47 0.00 0.09 0.00 0.00 178.44 179.16 2hco h ALA 115 N 1.03 0.50 -0.29 1.53 0.00 -0.84 -2.31 119.26 118.88 2hco h ALA 115 Ca 0.04 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 2hco h ALA 115 Cb 0.95 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2hco h ALA 115 CO 0.09 0.66 -0.02 1.25 0.00 0.00 0.00 179.25 181.23 2hco h HIS 116 N 0.69 0.45 0.02 0.00 -0.00 -0.85 -1.39 115.15 114.08 2hco h HIS 116 Ca 0.03 -0.04 -0.28 0.00 -0.00 0.00 0.00 60.37 60.08 2hco h HIS 116 Cb 1.08 -0.13 -0.04 0.00 -0.00 0.00 0.00 27.41 28.32 2hco h HIS 116 CO 0.07 0.47 -1.53 0.45 -0.00 0.00 0.00 177.93 177.39 2hco h HIS 117 N 0.42 0.09 -0.01 5.26 -0.00 -1.28 -3.38 115.15 116.26 2hco h HIS 117 Ca 0.09 -0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 2hco h HIS 117 Cb 0.32 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.72 2hco h HIS 117 CO 0.01 1.10 -0.34 1.19 -0.00 0.00 0.00 177.93 179.89 2hco n PHE 118 N -3.20 0.00 0.00 2.45 3.01 -0.88 -5.04 117.46 113.81 2hco n PHE 118 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.32 2hco n PHE 118 Cb 1.02 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.49 2hco n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2hco n GLY 119 N 1.12 3.38 0.27 1.37 0.00 -0.53 -2.39 105.19 108.40 2hco n GLY 119 Ca 0.06 0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.34 2hco n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hco h LYS 120 N 0.00 0.00 0.00 1.61 1.57 -1.96 -1.33 116.57 116.46 2hco h LYS 120 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2hco h LYS 120 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2hco h LYS 120 CO 0.00 0.10 0.00 0.39 -0.57 0.00 0.00 179.45 179.37 2hco n GLU 121 N -3.65 0.73 -2.36 3.15 -0.58 -1.01 -3.47 120.64 113.46 2hco n GLU 121 Ca -0.02 0.01 -0.42 0.00 -0.42 0.00 0.00 57.16 56.31 2hco n GLU 121 Cb 0.21 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 2hco n GLU 121 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2hco n PHE 122 N -1.11 2.73 -2.24 -0.32 7.35 -0.50 -4.95 117.46 118.41 2hco n PHE 122 Ca 0.19 -2.75 -0.34 0.00 -0.76 0.00 0.00 57.45 53.78 2hco n PHE 122 Cb 0.15 -1.79 0.00 0.00 0.35 0.00 0.00 39.48 38.20 2hco n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2hco s THR 123 N -0.66 3.32 0.30 -2.13 -4.23 -1.23 -4.77 115.64 106.24 2hco s THR 123 Ca 0.42 0.78 0.02 0.00 -1.18 0.00 0.00 61.69 61.73 2hco s THR 123 Cb 0.12 -3.30 0.37 0.00 1.34 0.00 0.00 72.50 71.03 2hco s THR 123 CO -0.01 -0.21 1.59 1.55 -0.54 0.00 0.00 174.62 177.00 2hco h PRO 124 N 1.08 0.06 0.00 3.99 0.13 -1.93 0.13 132.00 135.46 2hco h PRO 124 Ca -0.49 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2hco h PRO 124 Cb 1.25 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2hco h PRO 124 CO 0.57 0.04 0.00 -1.00 -0.23 0.00 0.00 178.00 177.38 2hco h PRO 125 N 0.06 0.00 0.00 1.56 0.13 -1.99 0.97 132.00 132.73 2hco h PRO 125 Ca 0.59 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.72 2hco h PRO 125 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2hco h PRO 125 CO -0.83 0.00 -0.60 0.28 -0.23 0.00 0.00 178.00 176.62 2hco h VAL 126 N 0.00 0.00 0.18 1.56 2.07 -1.17 -3.09 116.25 115.80 2hco h VAL 126 Ca 0.00 -0.52 -0.31 0.00 0.82 0.00 0.00 66.70 66.69 2hco h VAL 126 Cb 0.60 1.13 0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2hco h VAL 126 CO 0.00 0.00 -1.46 -0.61 0.02 0.00 0.00 177.57 175.52 2hco h GLN 127 N 0.00 0.39 -0.03 1.57 4.15 -0.06 -3.29 115.11 117.84 2hco h GLN 127 Ca 0.00 -0.66 0.01 0.00 0.77 0.00 0.00 58.65 58.76 2hco h GLN 127 Cb 0.76 0.25 -0.00 0.00 0.21 0.00 0.00 27.48 28.70 2hco h GLN 127 CO 0.00 1.32 0.02 0.00 -1.93 0.00 0.00 178.83 178.24 2hco h ALA 128 N 0.08 1.73 0.04 3.38 0.00 -0.82 0.91 119.26 124.58 2hco h ALA 128 Ca -0.28 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.39 2hco h ALA 128 Cb 1.97 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.75 2hco h ALA 128 CO 0.17 -0.04 -1.10 0.00 0.00 0.00 0.00 179.25 178.29 2hco h ALA 129 N 1.98 0.28 0.00 0.00 0.00 -1.65 -3.18 119.26 116.69 2hco h ALA 129 Ca 0.01 -0.92 -0.13 0.00 0.00 0.00 0.00 54.91 53.87 2hco h ALA 129 Cb 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2hco h ALA 129 CO -0.00 1.17 -0.60 1.88 0.00 0.00 0.00 179.25 181.70 2hco h TYR 130 N 0.02 0.00 0.00 0.00 0.05 -0.96 -2.13 116.97 113.95 2hco h TYR 130 Ca -0.06 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 2hco h TYR 130 Cb 1.84 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.58 2hco h TYR 130 CO 0.02 0.60 -0.04 1.96 -1.05 0.00 0.00 178.16 179.65 2hco h GLN 131 N 0.00 0.00 0.20 4.88 1.08 -1.18 -0.42 115.11 119.68 2hco h GLN 131 Ca -0.01 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.88 2hco h GLN 131 Cb 1.30 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 28.76 2hco h GLN 131 CO 0.08 0.04 -1.38 0.87 -0.95 0.00 0.00 178.83 177.49 2hco h LYS 132 N 0.00 0.48 -0.18 1.46 1.57 -1.41 -2.16 116.57 116.33 2hco h LYS 132 Ca -0.00 -0.79 -0.07 0.00 -1.87 0.00 0.00 60.65 57.93 2hco h LYS 132 Cb 0.56 0.29 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 2hco h LYS 132 CO 0.01 1.37 -0.15 0.28 -0.57 0.00 0.00 179.45 180.39 2hco h VAL 133 N 0.14 1.33 -0.59 0.50 2.07 -0.97 -2.19 116.25 116.54 2hco h VAL 133 Ca -0.21 -1.27 -0.06 0.00 0.82 0.00 0.00 66.70 65.97 2hco h VAL 133 Cb 2.08 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 33.59 2hco h VAL 133 CO 0.25 0.38 0.13 0.58 0.02 0.00 0.00 177.57 178.94 2hco h VAL 134 N 0.09 1.25 -0.06 2.57 2.07 -1.19 0.12 116.25 121.10 2hco h VAL 134 Ca 0.03 -0.92 -0.08 0.00 0.82 0.00 0.00 66.70 66.55 2hco h VAL 134 Cb 0.67 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2hco h VAL 134 CO 0.04 0.34 -0.32 0.00 0.02 0.00 0.00 177.57 177.65 2hco h ALA 135 N 1.03 1.36 -0.16 1.67 0.00 -1.37 -0.32 119.26 121.47 2hco h ALA 135 Ca 0.18 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2hco h ALA 135 Cb 0.37 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2hco h ALA 135 CO 0.00 0.46 -0.26 0.78 0.00 0.00 0.00 179.25 180.23 2hco h GLY 136 N 1.04 0.50 1.74 0.00 0.00 -0.69 0.29 103.07 105.94 2hco h GLY 136 Ca 0.01 -0.57 -0.04 0.00 0.00 0.00 0.00 47.33 46.73 2hco h GLY 136 CO 0.05 0.51 -0.04 -2.08 0.00 0.00 0.00 176.54 174.97 2hco h VAL 137 N 0.08 1.16 0.00 4.60 2.07 -0.38 -1.32 116.25 122.47 2hco h VAL 137 Ca 0.01 -0.67 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 2hco h VAL 137 Cb 0.84 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 2hco h VAL 137 CO 0.06 0.22 -0.33 0.00 0.02 0.00 0.00 177.57 177.53 2hco h ALA 138 N 1.64 0.80 0.00 1.67 0.00 -0.82 -1.98 119.26 120.58 2hco h ALA 138 Ca 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2hco h ALA 138 Cb 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2hco h ALA 138 CO 0.01 0.42 0.00 -0.91 0.00 0.00 0.00 179.25 178.77 2hco h ASN 139 N 0.00 0.00 0.16 0.00 2.35 0.01 -3.26 115.58 114.84 2hco h ASN 139 Ca -0.00 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.43 2hco h ASN 139 Cb 1.22 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.60 2hco h ASN 139 CO 0.04 0.00 -1.56 0.00 -1.65 0.00 0.00 177.43 174.27 2hco h ALA 140 N 2.05 0.14 0.00 -0.83 0.00 -0.63 -3.27 119.26 116.72 2hco h ALA 140 Ca 0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 54.91 53.79 2hco h ALA 140 Cb 0.95 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 2hco h ALA 140 CO 0.00 0.90 -0.16 -0.07 0.00 0.00 0.00 179.25 179.91 2hco h LEU 141 N -0.09 0.00 -1.31 0.00 3.38 -1.49 -2.91 115.31 112.90 2hco h LEU 141 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2hco h LEU 141 Cb 1.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.69 2hco h LEU 141 CO 0.13 0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.82 2hco n ALA 142 N -2.31 2.53 0.01 1.53 0.00 -1.23 -4.41 120.51 116.63 2hco n ALA 142 Ca -0.02 -0.55 0.01 0.00 0.00 0.00 0.00 53.44 52.88 2hco n ALA 142 Cb 0.28 -1.05 0.03 0.00 0.00 0.00 0.00 19.45 18.71 2hco n ALA 142 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2hco n HIS 143 N 0.57 0.04 -0.98 0.00 -0.00 -1.10 -2.16 115.22 111.59 2hco n HIS 143 Ca 0.17 0.02 0.06 0.00 -0.00 0.00 0.00 57.72 57.98 2hco n HIS 143 Cb 0.43 -0.53 0.33 0.00 -0.00 0.00 0.00 29.99 30.21 2hco n HIS 143 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 2hco n LYS 144 N -1.54 3.86 -0.52 1.57 3.00 -1.26 -3.81 118.16 119.46 2hco n LYS 144 Ca -0.00 -3.03 0.07 0.00 -0.00 0.00 0.00 58.31 55.36 2hco n LYS 144 Cb 0.00 -2.07 0.29 0.00 0.00 0.00 0.00 35.03 33.25 2hco n LYS 144 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2hco n TYR 145 N 0.00 1.25 0.10 5.64 4.01 -0.92 -4.90 117.16 122.34 2hco n TYR 145 Ca 0.27 -0.49 0.01 0.00 -0.16 0.00 0.00 57.90 57.53 2hco n TYR 145 Cb 1.09 -0.22 0.01 0.00 -0.31 0.00 0.00 39.34 39.90 2hco n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12