#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aby s HIS 2 N 0.00 2.87 -0.11 2.03 5.65 -1.26 -4.73 115.29 119.74 1aby s HIS 2 Ca 0.00 -0.94 0.02 0.00 0.25 0.00 0.00 55.06 54.38 1aby s HIS 2 Cb 0.00 -4.29 -0.01 0.00 -1.18 0.00 0.00 32.58 27.09 1aby s HIS 2 CO 0.00 -1.58 -0.17 -0.51 -0.65 0.00 0.00 174.74 171.83 1aby s LEU 3 N 3.45 2.51 0.45 8.88 1.02 -1.26 -5.11 118.68 128.61 1aby s LEU 3 Ca 0.27 -0.39 -0.23 0.00 0.02 0.00 0.00 54.13 53.81 1aby s LEU 3 Cb -0.11 -1.54 -0.08 0.00 0.02 0.00 0.00 46.19 44.48 1aby s LEU 3 CO 0.01 0.18 1.10 0.42 0.02 0.00 0.00 176.35 178.08 1aby s THR 4 N 0.22 3.43 0.45 5.49 -4.23 -1.26 -4.75 115.64 115.00 1aby s THR 4 Ca -0.11 1.05 0.26 0.00 -1.18 0.00 0.00 61.69 61.71 1aby s THR 4 Cb -0.16 -3.51 0.46 0.00 1.34 0.00 0.00 72.50 70.63 1aby s THR 4 CO 0.06 -0.04 1.75 -0.65 -0.54 0.00 0.00 174.62 175.20 1aby h PRO 5 N 2.10 0.22 -0.13 3.99 0.11 -1.99 0.64 132.00 136.94 1aby h PRO 5 Ca -0.49 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1aby h PRO 5 Cb 1.23 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1aby h PRO 5 CO 0.61 0.15 -0.08 0.93 -0.21 0.00 0.00 178.00 179.39 1aby h GLU 6 N 0.23 0.28 -0.00 1.05 3.07 -1.98 -2.34 114.58 114.88 1aby h GLU 6 Ca 0.63 -0.13 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 1aby h GLU 6 Cb 1.94 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.84 1aby h GLU 6 CO -0.23 0.64 -0.12 -0.85 -1.40 0.00 0.00 179.01 177.04 1aby n GLU 7 N -4.65 0.64 -0.02 2.33 0.28 0.31 -1.20 120.64 118.33 1aby n GLU 7 Ca -0.06 -0.23 0.12 0.00 -0.16 0.00 0.00 57.16 56.83 1aby n GLU 7 Cb 0.31 -1.50 0.24 0.00 1.43 0.00 0.00 31.44 31.92 1aby n GLU 7 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1aby n LYS 8 N -0.98 2.15 -0.00 3.44 4.81 0.20 -2.98 118.16 124.79 1aby n LYS 8 Ca 0.14 -1.67 -0.00 0.00 -0.87 0.00 0.00 58.31 55.90 1aby n LYS 8 Cb 0.28 -1.47 -0.01 0.00 0.02 0.00 0.00 35.03 33.86 1aby n LYS 8 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1aby n SER 9 N 1.01 4.76 0.12 3.14 2.88 -0.89 -4.42 113.62 120.23 1aby n SER 9 Ca 0.16 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.47 1aby n SER 9 Cb 0.52 0.74 -0.14 0.00 -0.75 0.00 0.00 64.21 64.58 1aby n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1aby h ALA 10 N 0.07 -0.08 0.44 -1.46 0.00 -1.26 -1.89 119.26 115.08 1aby h ALA 10 Ca -0.02 -0.83 -0.02 0.00 0.00 0.00 0.00 54.91 54.05 1aby h ALA 10 Cb 0.64 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1aby h ALA 10 CO 0.00 0.72 -0.21 0.28 0.00 0.00 0.00 179.25 180.04 1aby h VAL 11 N 0.19 0.55 -0.24 0.00 2.07 -1.80 -2.50 116.25 114.52 1aby h VAL 11 Ca -0.22 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 1aby h VAL 11 Cb 2.06 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 1aby h VAL 11 CO 0.26 0.05 -0.08 0.71 0.02 0.00 0.00 177.57 178.53 1aby h THR 12 N -0.77 1.19 0.40 2.57 1.35 -1.77 -2.33 112.91 113.55 1aby h THR 12 Ca -0.06 -0.80 -0.02 0.00 -0.55 0.00 0.00 66.41 64.98 1aby h THR 12 Cb 0.54 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1aby h THR 12 CO 0.10 0.26 -0.19 0.00 -0.25 0.00 0.00 175.52 175.44 1aby h ALA 13 N 1.57 -0.54 0.00 6.62 0.00 -1.26 -2.56 119.26 123.09 1aby h ALA 13 Ca 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1aby h ALA 13 Cb 0.36 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1aby h ALA 13 CO 0.02 -0.79 -0.15 1.25 0.00 0.00 0.00 179.25 179.58 1aby h LEU 14 N -0.57 0.00 -0.78 0.00 5.85 -1.37 -2.78 115.31 115.66 1aby h LEU 14 Ca -0.06 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.57 1aby h LEU 14 Cb 0.43 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1aby h LEU 14 CO 0.09 0.15 -0.46 -0.25 -0.34 0.00 0.00 178.44 177.63 1aby h TRP 15 N 0.00 0.00 0.00 1.25 2.91 -1.24 -2.78 115.95 116.10 1aby h TRP 15 Ca -0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1aby h TRP 15 Cb 0.70 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.35 1aby h TRP 15 CO 0.00 0.46 0.00 0.41 -1.03 0.00 0.00 178.44 178.28 1aby n GLY 16 N 0.37 -0.35 0.00 2.65 0.00 -0.98 -0.66 105.19 106.22 1aby n GLY 16 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1aby n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1aby n LYS 17 N -0.91 3.96 -2.49 1.61 5.02 -1.05 -5.03 118.16 119.27 1aby n LYS 17 Ca 0.07 -0.18 -0.43 0.00 -2.02 0.00 0.00 58.31 55.75 1aby n LYS 17 Cb 0.03 -0.67 -0.02 0.00 -0.02 0.00 0.00 35.03 34.35 1aby n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1aby s VAL 18 N -0.62 4.30 -1.31 -0.18 1.01 0.17 -4.95 120.40 118.82 1aby s VAL 18 Ca 0.00 1.51 -0.18 0.00 0.00 0.00 0.00 61.98 63.31 1aby s VAL 18 Cb 0.00 -4.20 0.07 0.00 0.00 0.00 0.00 36.38 32.25 1aby s VAL 18 CO 0.00 -0.38 1.76 -3.20 0.00 0.00 0.00 175.10 173.27 1aby n ASN 19 N 7.13 4.90 -0.26 3.32 5.15 -1.26 -4.83 115.26 129.41 1aby n ASN 19 Ca 0.14 -2.92 0.25 0.00 -0.60 0.00 0.00 54.58 51.45 1aby n ASN 19 Cb 0.46 -1.75 0.47 0.00 -0.53 0.00 0.00 39.78 38.44 1aby n ASN 19 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1aby n VAL 20 N 6.34 -0.33 0.00 3.44 0.31 -1.26 -1.11 118.33 125.71 1aby n VAL 20 Ca 0.49 1.61 0.00 0.00 -0.01 0.00 0.00 64.34 66.43 1aby n VAL 20 Cb 0.46 -2.62 0.00 0.00 -0.91 0.00 0.00 33.84 30.77 1aby n VAL 20 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1aby n ASP 21 N -4.79 0.00 0.08 4.52 8.00 -1.26 -0.16 116.55 122.94 1aby n ASP 21 Ca 0.30 0.88 0.05 0.00 0.71 0.00 0.00 54.79 56.73 1aby n ASP 21 Cb 1.03 -0.46 0.47 0.00 -0.02 0.00 0.00 41.12 42.13 1aby n ASP 21 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1aby h GLU 22 N 0.00 0.36 0.00 -1.24 4.22 -1.86 -0.33 114.58 115.73 1aby h GLU 22 Ca 0.00 -0.03 -0.11 0.00 0.08 0.00 0.00 59.36 59.29 1aby h GLU 22 Cb 0.00 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1aby h GLU 22 CO 0.00 0.28 -0.54 0.28 -2.18 0.00 0.00 179.01 176.85 1aby h VAL 23 N 0.37 1.28 -0.74 0.32 2.07 -1.19 -2.05 116.25 116.31 1aby h VAL 23 Ca 0.10 -1.91 -0.02 0.00 0.82 0.00 0.00 66.70 65.68 1aby h VAL 23 Cb 0.04 2.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 1aby h VAL 23 CO -0.01 0.53 0.37 1.23 0.02 0.00 0.00 177.57 179.71 1aby h GLY 24 N 1.88 1.11 0.88 2.17 0.00 0.13 -2.04 103.07 107.20 1aby h GLY 24 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1aby h GLY 24 CO 0.07 0.49 -0.96 0.61 0.00 0.00 0.00 176.54 176.75 1aby n GLY 25 N -1.13 -1.36 0.22 4.60 0.00 -1.12 -2.97 105.19 103.43 1aby n GLY 25 Ca 0.07 -0.30 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 1aby n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1aby h GLU 26 N 0.00 0.78 0.02 1.61 4.57 -1.00 -2.43 114.58 118.13 1aby h GLU 26 Ca 0.00 -0.60 -0.00 0.00 -1.18 0.00 0.00 59.36 57.58 1aby h GLU 26 Cb 0.86 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.57 1aby h GLU 26 CO 0.00 1.22 -0.01 0.00 -1.18 0.00 0.00 179.01 179.03 1aby h ALA 27 N 0.56 -0.03 -0.87 2.92 0.00 -1.50 -2.91 119.26 117.43 1aby h ALA 27 Ca -0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1aby h ALA 27 Cb 1.32 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 1aby h ALA 27 CO 0.15 -0.20 0.49 1.25 0.00 0.00 0.00 179.25 180.93 1aby h LEU 28 N -0.67 1.08 -0.68 0.00 5.85 -1.64 -1.95 115.31 117.30 1aby h LEU 28 Ca -0.00 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.53 1aby h LEU 28 Cb 0.62 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1aby h LEU 28 CO 0.01 0.86 -0.02 1.23 -0.34 0.00 0.00 178.44 180.17 1aby h GLY 29 N 1.21 1.08 1.19 3.75 0.00 -1.53 -2.60 103.07 106.18 1aby h GLY 29 Ca 0.31 -0.80 -0.10 0.00 0.00 0.00 0.00 47.33 46.74 1aby h GLY 29 CO -0.05 0.73 -0.07 3.21 0.00 0.00 0.00 176.54 180.36 1aby h ARG 30 N 0.91 0.96 -0.49 4.80 3.08 -1.29 0.07 114.38 122.43 1aby h ARG 30 Ca 0.16 -0.32 0.08 0.00 0.07 0.00 0.00 59.98 59.97 1aby h ARG 30 Cb 0.56 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.47 1aby h ARG 30 CO 0.03 0.99 0.09 1.25 -1.07 0.00 0.00 179.97 181.26 1aby h LEU 31 N 0.86 -0.00 -1.27 3.04 5.85 -1.19 1.50 115.31 124.10 1aby h LEU 31 Ca 0.14 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 1aby h LEU 31 Cb 0.61 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 1aby h LEU 31 CO 0.04 0.03 -0.12 -0.07 -0.34 0.00 0.00 178.44 177.98 1aby h LEU 32 N 0.23 0.33 0.00 2.25 4.07 -1.09 -1.00 115.31 120.10 1aby h LEU 32 Ca 0.24 -0.08 -0.14 0.00 0.08 0.00 0.00 57.88 57.99 1aby h LEU 32 Cb 0.32 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 41.95 1aby h LEU 32 CO -0.32 0.49 -1.41 0.52 -1.08 0.00 0.00 178.44 176.64 1aby n VAL 33 N -4.24 1.03 -0.05 1.22 0.31 -0.02 -3.95 118.33 112.63 1aby n VAL 33 Ca -0.00 -0.66 -0.14 0.00 -0.01 0.00 0.00 64.34 63.52 1aby n VAL 33 Cb 0.29 -0.61 -0.14 0.00 -0.91 0.00 0.00 33.84 32.47 1aby n VAL 33 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1aby n VAL 34 N -2.81 1.60 -3.61 2.52 0.31 0.49 -4.54 118.33 112.30 1aby n VAL 34 Ca -0.08 -0.73 -0.27 0.00 -0.01 0.00 0.00 64.34 63.25 1aby n VAL 34 Cb 0.78 -1.21 -0.10 0.00 -0.91 0.00 0.00 33.84 32.41 1aby n VAL 34 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1aby n TYR 35 N -3.16 2.45 -0.32 3.52 4.01 -0.39 -5.01 117.16 118.26 1aby n TYR 35 Ca -0.30 -4.05 0.19 0.00 -0.16 0.00 0.00 57.90 53.58 1aby n TYR 35 Cb 1.06 -0.45 0.38 0.00 -0.31 0.00 0.00 39.34 40.01 1aby n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1aby h PRO 36 N 4.89 0.12 -0.47 -0.72 0.11 -1.74 -2.14 132.00 132.05 1aby h PRO 36 Ca 0.17 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 66.41 1aby h PRO 36 Cb 0.76 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.82 1aby h PRO 36 CO 0.68 0.08 0.35 0.11 -0.21 0.00 0.00 178.00 179.01 1aby h TRP 37 N 0.12 0.00 0.00 0.65 0.09 -1.93 0.28 115.95 115.17 1aby h TRP 37 Ca 0.65 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.63 1aby h TRP 37 Cb 1.45 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.69 1aby h TRP 37 CO -0.24 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.08 1aby h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.72 -1.95 112.91 110.71 1aby h THR 38 Ca 0.22 -0.10 -0.01 0.00 -0.55 0.00 0.00 66.41 65.97 1aby h THR 38 Cb 0.92 0.72 -0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1aby h THR 38 CO -0.00 0.00 -0.07 1.56 -0.25 0.00 0.00 175.52 176.76 1aby h GLN 39 N 0.00 0.00 0.00 4.72 4.20 -1.13 -2.71 115.11 120.19 1aby h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1aby h GLN 39 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1aby h GLN 39 CO 0.00 0.07 0.00 2.89 -0.67 0.00 0.00 178.83 181.12 1aby n ARG 40 N -3.39 0.11 -0.02 1.46 1.85 -0.73 -1.68 116.66 114.26 1aby n ARG 40 Ca -0.01 0.22 0.04 0.00 -1.00 0.00 0.00 57.85 57.09 1aby n ARG 40 Cb 0.22 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.00 1aby n ARG 40 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1aby n PHE 41 N -1.30 0.25 -1.15 2.89 3.72 -1.02 -4.58 117.46 116.27 1aby n PHE 41 Ca 0.04 0.08 0.02 0.00 -0.05 0.00 0.00 57.45 57.53 1aby n PHE 41 Cb 0.07 -0.77 0.25 0.00 -0.94 0.00 0.00 39.48 38.09 1aby n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1aby n PHE 42 N -2.53 1.28 0.26 1.38 3.72 -0.68 -4.61 117.46 116.28 1aby n PHE 42 Ca -0.12 -1.18 0.16 0.00 -0.05 0.00 0.00 57.45 56.26 1aby n PHE 42 Cb 0.76 -0.45 0.89 0.00 -0.94 0.00 0.00 39.48 39.75 1aby n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1aby h GLU 43 N 1.66 0.00 -0.36 -1.08 5.08 -1.80 -1.43 114.58 116.66 1aby h GLU 43 Ca 0.13 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.59 1aby h GLU 43 Cb 1.69 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.93 1aby h GLU 43 CO 0.38 0.00 0.69 0.77 -1.00 0.00 0.00 179.01 179.85 1aby h SER 44 N 0.00 0.00 0.08 1.42 0.02 -1.93 -2.18 113.55 110.96 1aby h SER 44 Ca 0.04 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1aby h SER 44 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1aby h SER 44 CO -0.00 0.00 -0.04 -0.26 -1.14 0.00 0.00 176.83 175.39 1aby h PHE 45 N 0.00 -0.10 0.00 3.45 0.04 -1.64 -3.51 116.94 115.17 1aby h PHE 45 Ca 0.17 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1aby h PHE 45 Cb 1.55 0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.74 1aby h PHE 45 CO 0.00 -0.06 0.00 0.41 -0.60 0.00 0.00 178.31 178.06 1aby n GLY 46 N 1.50 -0.22 3.60 -1.45 0.00 -0.82 -4.90 105.19 102.90 1aby n GLY 46 Ca -0.01 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1aby n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1aby s ASP 47 N -4.00 6.54 -0.19 1.61 2.15 -1.26 -4.92 116.67 116.61 1aby s ASP 47 Ca 0.00 0.49 0.15 0.00 0.43 0.00 0.00 52.55 53.62 1aby s ASP 47 Cb 0.00 -2.35 0.44 0.00 -0.30 0.00 0.00 42.92 40.71 1aby s ASP 47 CO 0.00 -0.52 1.19 0.18 -0.17 0.00 0.00 175.17 175.85 1aby n LEU 48 N 5.98 2.69 0.09 -1.34 4.77 -1.26 -4.41 117.00 123.52 1aby n LEU 48 Ca 0.00 -3.56 -0.04 0.00 -0.03 0.00 0.00 56.01 52.38 1aby n LEU 48 Cb 0.49 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1aby n LEU 48 CO 0.47 1.32 0.17 0.77 -1.33 0.00 0.00 177.39 178.79 1aby h SER 49 N 1.47 -0.25 -2.79 -1.43 4.64 -1.93 -3.46 113.55 109.81 1aby h SER 49 Ca 0.02 0.01 -0.57 0.00 -0.47 0.00 0.00 61.79 60.78 1aby h SER 49 Cb 1.36 0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 63.49 1aby h SER 49 CO 0.22 0.05 -0.42 0.42 -0.87 0.00 0.00 176.83 176.22 1aby s THR 50 N -2.52 5.30 0.48 2.95 -4.23 -1.26 -4.96 115.64 111.39 1aby s THR 50 Ca -0.04 -0.45 0.20 0.00 -1.18 0.00 0.00 61.69 60.22 1aby s THR 50 Cb 0.00 -3.70 0.37 0.00 1.34 0.00 0.00 72.50 70.52 1aby s THR 50 CO 0.13 -0.04 1.96 -0.65 -0.54 0.00 0.00 174.62 175.48 1aby h PRO 51 N 2.43 0.21 0.00 3.99 0.11 -1.98 0.58 132.00 137.33 1aby h PRO 51 Ca -0.47 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 1aby h PRO 51 Cb 1.18 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1aby h PRO 51 CO 0.71 0.14 -0.49 -0.44 -0.21 0.00 0.00 178.00 177.71 1aby h ASP 52 N 0.21 0.00 -0.19 -2.05 5.19 -1.98 -0.08 116.42 117.51 1aby h ASP 52 Ca 0.31 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.59 1aby h ASP 52 Cb 0.91 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.42 1aby h ASP 52 CO -0.06 0.49 -0.37 0.00 -3.12 0.00 0.00 179.24 176.18 1aby h ALA 53 N 1.51 0.31 0.60 3.45 0.00 -0.27 -2.87 119.26 121.99 1aby h ALA 53 Ca -0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1aby h ALA 53 Cb 0.92 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.66 1aby h ALA 53 CO 0.06 0.39 -0.29 0.28 0.00 0.00 0.00 179.25 179.69 1aby h VAL 54 N 0.27 0.19 0.00 0.00 2.07 -0.60 -0.03 116.25 118.14 1aby h VAL 54 Ca 0.01 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 1aby h VAL 54 Cb 0.97 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1aby h VAL 54 CO 0.08 0.03 -0.16 0.24 0.02 0.00 0.00 177.57 177.78 1aby h MET 55 N -1.11 0.00 0.00 1.57 2.86 -1.17 -2.83 114.93 114.24 1aby h MET 55 Ca -0.08 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.38 1aby h MET 55 Cb 0.66 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.30 1aby h MET 55 CO 0.14 0.16 -1.22 0.78 1.06 0.00 0.00 176.91 177.83 1aby h GLY 56 N 0.71 0.00 -5.49 8.32 0.00 -1.52 -3.46 103.07 101.63 1aby h GLY 56 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1aby h GLY 56 CO 0.02 0.00 1.15 -2.01 0.00 0.00 0.00 176.54 175.70 1aby n ASN 57 N -3.02 3.81 0.29 0.19 2.85 -0.03 -4.88 115.26 114.46 1aby n ASN 57 Ca -0.07 0.95 0.18 0.00 -0.11 0.00 0.00 54.58 55.53 1aby n ASN 57 Cb 0.85 -1.46 0.78 0.00 1.24 0.00 0.00 39.78 41.20 1aby n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1aby h PRO 58 N 9.62 0.00 -0.25 1.20 0.13 -1.89 -3.12 132.00 137.70 1aby h PRO 58 Ca -0.49 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 1aby h PRO 58 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1aby h PRO 58 CO 0.94 0.01 -0.26 0.87 -0.23 0.00 0.00 178.00 179.33 1aby h LYS 59 N 0.00 0.61 -0.66 0.86 1.79 -1.90 -0.78 116.57 116.49 1aby h LYS 59 Ca -0.00 -0.33 0.03 0.00 -2.18 0.00 0.00 60.65 58.18 1aby h LYS 59 Cb 0.42 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.04 1aby h LYS 59 CO 0.00 0.93 0.40 0.28 -1.08 0.00 0.00 179.45 179.98 1aby h VAL 60 N 0.33 1.06 0.43 0.50 2.07 -1.85 -0.21 116.25 118.58 1aby h VAL 60 Ca 0.04 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1aby h VAL 60 Cb 0.82 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1aby h VAL 60 CO 0.06 0.14 -0.21 0.11 0.02 0.00 0.00 177.57 177.70 1aby h LYS 61 N 0.78 -0.55 -0.93 1.57 1.79 -1.52 0.15 116.57 117.86 1aby h LYS 61 Ca 0.27 0.04 0.19 0.00 -2.18 0.00 0.00 60.65 58.97 1aby h LYS 61 Cb 0.05 0.13 -0.11 0.00 -1.58 0.00 0.00 32.23 30.72 1aby h LYS 61 CO -0.12 -0.25 0.50 0.00 -1.08 0.00 0.00 179.45 178.49 1aby h ALA 62 N -0.41 1.50 0.02 3.86 0.00 -0.96 -1.11 119.26 122.16 1aby h ALA 62 Ca -0.06 0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.73 1aby h ALA 62 Cb 0.55 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.38 1aby h ALA 62 CO 0.10 -0.17 -0.92 1.25 0.00 0.00 0.00 179.25 179.51 1aby h HIS 63 N 0.60 0.89 -0.80 0.00 -0.00 -0.95 -3.25 115.15 111.64 1aby h HIS 63 Ca 0.55 -0.50 0.23 0.00 -0.00 0.00 0.00 60.37 60.65 1aby h HIS 63 Cb 0.91 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 28.19 1aby h HIS 63 CO -0.07 1.33 0.58 0.78 -0.00 0.00 0.00 177.93 180.56 1aby h GLY 64 N 0.20 0.00 1.77 5.26 0.00 0.57 0.42 103.07 111.29 1aby h GLY 64 Ca -0.12 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 46.97 1aby h GLY 64 CO 0.18 0.00 -1.15 0.50 0.00 0.00 0.00 176.54 176.07 1aby h LYS 65 N 0.00 0.09 -0.02 4.80 1.57 -1.48 -2.40 116.57 119.13 1aby h LYS 65 Ca 0.38 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.92 1aby h LYS 65 Cb 1.53 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.89 1aby h LYS 65 CO -0.00 1.03 -0.39 -0.22 -0.57 0.00 0.00 179.45 179.30 1aby h LYS 66 N 0.02 0.04 0.09 3.15 3.64 -0.98 -2.14 116.57 120.39 1aby h LYS 66 Ca -0.08 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.12 1aby h LYS 66 Cb 1.86 -0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.69 1aby h LYS 66 CO 0.15 0.42 -0.69 0.28 -2.27 0.00 0.00 179.45 177.34 1aby h VAL 67 N 0.03 1.51 0.00 2.00 2.07 -1.42 -3.10 116.25 117.34 1aby h VAL 67 Ca 0.00 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.14 1aby h VAL 67 Cb 0.70 3.04 0.00 0.00 -1.52 0.00 0.00 31.29 33.51 1aby h VAL 67 CO 0.05 0.67 0.00 0.18 0.02 0.00 0.00 177.57 178.50 1aby n LEU 68 N -4.19 0.00 0.02 2.57 7.99 -0.91 -2.45 117.00 120.04 1aby n LEU 68 Ca -0.13 0.46 -0.21 0.00 -0.01 0.00 0.00 56.01 56.13 1aby n LEU 68 Cb 0.75 -0.46 -0.14 0.00 -0.11 0.00 0.00 43.42 43.46 1aby n LEU 68 CO 0.47 -0.14 -0.22 1.23 -1.51 0.00 0.00 177.39 177.22 1aby h GLY 69 N 3.48 0.30 1.62 -0.72 0.00 -1.43 -2.35 103.07 103.97 1aby h GLY 69 Ca 0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 47.33 46.52 1aby h GLY 69 CO 0.00 0.67 0.01 0.00 0.00 0.00 0.00 176.54 177.22 1aby h ALA 70 N -0.00 1.43 -0.13 3.60 0.00 -1.46 -0.15 119.26 122.55 1aby h ALA 70 Ca -0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1aby h ALA 70 Cb 1.70 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1aby h ALA 70 CO 0.09 0.40 0.04 0.35 0.00 0.00 0.00 179.25 180.14 1aby h PHE 71 N 0.46 0.20 -0.53 0.00 3.57 -1.55 0.54 116.94 119.63 1aby h PHE 71 Ca 0.10 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1aby h PHE 71 Cb 0.29 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 1aby h PHE 71 CO 0.01 0.32 0.30 0.77 -2.23 0.00 0.00 178.31 177.48 1aby h SER 72 N 0.03 0.64 -0.11 0.41 0.02 -0.80 -1.41 113.55 112.33 1aby h SER 72 Ca 0.04 -0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 1aby h SER 72 Cb 0.21 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1aby h SER 72 CO -0.00 0.51 -0.28 -0.78 -1.14 0.00 0.00 176.83 175.14 1aby h ASP 73 N 0.74 0.59 0.29 3.07 3.58 -0.49 -1.78 116.42 122.42 1aby h ASP 73 Ca 0.19 -0.22 -0.04 0.00 0.42 0.00 0.00 57.03 57.38 1aby h ASP 73 Cb 0.01 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 1aby h ASP 73 CO -0.03 0.85 -0.20 1.23 -2.88 0.00 0.00 179.24 178.20 1aby h GLY 74 N 1.02 0.00 2.00 -0.78 0.00 0.16 -2.34 103.07 103.13 1aby h GLY 74 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 1aby h GLY 74 CO 0.06 0.00 -0.02 1.41 0.00 0.00 0.00 176.54 177.99 1aby h LEU 75 N 0.00 0.00 0.00 3.11 3.38 -0.71 -2.73 115.31 118.36 1aby h LEU 75 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1aby h LEU 75 Cb 0.40 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1aby h LEU 75 CO 0.03 0.02 -0.70 0.00 0.09 0.00 0.00 178.44 177.87 1aby h ALA 76 N 1.98 0.56 -2.18 1.53 0.00 -1.30 -3.32 119.26 116.54 1aby h ALA 76 Ca -0.00 -0.63 -0.57 0.00 0.00 0.00 0.00 54.91 53.71 1aby h ALA 76 Cb 0.63 -0.10 -0.42 0.00 0.00 0.00 0.00 17.79 17.91 1aby h ALA 76 CO 0.00 0.85 -0.74 0.72 0.00 0.00 0.00 179.25 180.08 1aby n HIS 77 N -3.26 3.38 0.22 0.00 8.25 -1.05 -4.92 115.22 117.84 1aby n HIS 77 Ca 0.01 -3.90 0.15 0.00 -0.26 0.00 0.00 57.72 53.72 1aby n HIS 77 Cb 0.81 -0.45 0.79 0.00 1.12 0.00 0.00 29.99 32.26 1aby n HIS 77 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1aby h LEU 78 N 2.96 0.00 -3.92 2.41 5.85 -1.61 -2.81 115.31 118.19 1aby h LEU 78 Ca 0.13 0.00 -0.63 0.00 0.84 0.00 0.00 57.88 58.22 1aby h LEU 78 Cb 0.61 0.00 -0.33 0.00 0.37 0.00 0.00 40.66 41.31 1aby h LEU 78 CO 0.77 0.00 0.38 -0.90 -0.34 0.00 0.00 178.44 178.35 1aby n ASP 79 N -4.08 6.74 0.00 1.25 5.68 -1.26 -0.21 116.55 124.68 1aby n ASP 79 Ca 0.00 -3.77 0.00 0.00 -0.50 0.00 0.00 54.79 50.52 1aby n ASP 79 Cb 0.23 -0.79 0.00 0.00 -1.14 0.00 0.00 41.12 39.42 1aby n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1aby n ASN 80 N -0.87 0.00 0.18 -1.12 5.15 -1.06 -4.70 115.26 112.84 1aby n ASN 80 Ca 0.57 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.67 1aby n ASN 80 Cb 0.78 0.00 0.19 0.00 -0.53 0.00 0.00 39.78 40.22 1aby n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1aby h LEU 81 N 0.00 0.00 -0.89 1.20 3.38 -1.79 -3.23 115.31 113.98 1aby h LEU 81 Ca 0.00 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1aby h LEU 81 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1aby h LEU 81 CO 0.00 0.01 0.07 0.11 0.09 0.00 0.00 178.44 178.72 1aby h LYS 82 N 0.00 0.90 0.20 1.13 1.57 -1.91 -0.97 116.57 117.48 1aby h LYS 82 Ca 0.00 -0.22 -0.31 0.00 -1.87 0.00 0.00 60.65 58.25 1aby h LYS 82 Cb 0.94 -0.11 0.02 0.00 0.08 0.00 0.00 32.23 33.16 1aby h LYS 82 CO 0.00 0.85 -1.37 0.78 -0.57 0.00 0.00 179.45 179.14 1aby h GLY 83 N 1.00 0.48 1.73 3.86 0.00 -1.96 -2.92 103.07 105.26 1aby h GLY 83 Ca 0.17 -1.23 -0.13 0.00 0.00 0.00 0.00 47.33 46.14 1aby h GLY 83 CO 0.01 1.08 -0.52 -0.84 0.00 0.00 0.00 176.54 176.27 1aby h THR 84 N 0.12 1.35 -0.42 4.70 2.02 -1.56 -3.22 112.91 115.90 1aby h THR 84 Ca -0.20 -1.78 -0.04 0.00 0.77 0.00 0.00 66.41 65.16 1aby h THR 84 Cb 2.08 1.84 -0.02 0.00 -1.74 0.00 0.00 68.15 70.30 1aby h THR 84 CO 0.24 0.53 0.03 0.49 0.37 0.00 0.00 175.52 177.19 1aby n PHE 85 N -3.94 1.48 -0.05 3.16 3.72 -0.38 -4.63 117.46 116.82 1aby n PHE 85 Ca -0.02 -0.93 -0.14 0.00 -0.05 0.00 0.00 57.45 56.31 1aby n PHE 85 Cb 0.56 -0.43 -0.08 0.00 -0.94 0.00 0.00 39.48 38.59 1aby n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1aby h ALA 86 N 2.48 0.19 0.05 4.37 0.00 -1.52 -0.63 119.26 124.20 1aby h ALA 86 Ca 0.05 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1aby h ALA 86 Cb 1.74 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1aby h ALA 86 CO 0.38 0.17 -0.02 1.15 0.00 0.00 0.00 179.25 180.93 1aby h THR 87 N -0.04 1.07 -0.36 0.00 2.02 -1.82 -1.40 112.91 112.38 1aby h THR 87 Ca 0.00 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 1aby h THR 87 Cb 0.83 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 1aby h THR 87 CO 0.05 0.10 0.21 0.25 0.37 0.00 0.00 175.52 176.50 1aby h LEU 88 N -0.24 0.42 -1.16 2.58 5.85 -1.87 0.14 115.31 121.03 1aby h LEU 88 Ca -0.01 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 1aby h LEU 88 Cb 0.21 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1aby h LEU 88 CO 0.01 0.34 -0.41 -1.28 -0.34 0.00 0.00 178.44 176.75 1aby h SER 89 N 0.49 0.00 0.44 1.25 0.87 -0.64 -1.45 113.55 114.52 1aby h SER 89 Ca 0.13 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.44 1aby h SER 89 Cb -0.01 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.96 1aby h SER 89 CO -0.02 0.41 -1.08 -0.33 -0.53 0.00 0.00 176.83 175.28 1aby h GLU 90 N 0.00 0.37 0.09 2.24 5.08 0.29 -3.10 114.58 119.54 1aby h GLU 90 Ca -0.00 -0.48 -0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1aby h GLU 90 Cb 0.75 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1aby h GLU 90 CO 0.05 1.17 -0.04 1.25 -1.00 0.00 0.00 179.01 180.44 1aby h LEU 91 N 0.17 -0.10 -1.72 1.33 5.85 -0.65 -1.15 115.31 119.04 1aby h LEU 91 Ca -0.11 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 1aby h LEU 91 Cb 1.75 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.80 1aby h LEU 91 CO 0.18 0.07 -0.18 0.45 -0.34 0.00 0.00 178.44 178.63 1aby h HIS 92 N -0.28 0.00 0.00 1.25 3.86 -1.38 -1.05 115.15 117.54 1aby h HIS 92 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1aby h HIS 92 Cb 0.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.70 1aby h HIS 92 CO -0.02 0.18 -0.17 0.00 0.86 0.00 0.00 177.93 178.77 1aby h ASP 94 N -0.80 0.27 0.00 0.00 3.32 -1.30 -2.94 116.42 114.97 1aby h ASP 94 Ca 0.00 -0.46 -0.14 0.00 0.02 0.00 0.00 57.03 56.45 1aby h ASP 94 Cb 0.17 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1aby h ASP 94 CO 0.00 0.67 -0.79 0.11 -1.72 0.00 0.00 179.24 177.52 1aby h LYS 95 N -0.13 0.00 0.00 3.56 1.79 -1.38 -3.41 116.57 117.01 1aby h LYS 95 Ca 0.02 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.37 1aby h LYS 95 Cb 0.59 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 1aby h LYS 95 CO 0.02 0.91 -0.78 -0.07 -1.08 0.00 0.00 179.45 178.45 1aby h LEU 96 N -1.00 0.00 -1.94 2.94 3.38 -1.40 -3.49 115.31 113.80 1aby h LEU 96 Ca -0.21 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.44 1aby h LEU 96 Cb 1.12 0.00 0.16 0.00 0.09 0.00 0.00 40.66 42.03 1aby h LEU 96 CO -0.13 0.51 -0.81 1.41 0.09 0.00 0.00 178.44 179.52 1aby n HIS 97 N -3.11 -2.22 -3.74 1.13 8.25 -0.27 -4.98 115.22 110.28 1aby n HIS 97 Ca -0.01 0.89 -0.36 0.00 -0.26 0.00 0.00 57.72 57.97 1aby n HIS 97 Cb 0.76 -4.68 -0.10 0.00 1.12 0.00 0.00 29.99 27.08 1aby n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1aby s VAL 98 N -3.41 5.04 0.03 1.59 1.01 -0.64 -5.04 120.40 118.98 1aby s VAL 98 Ca 0.14 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 1aby s VAL 98 Cb -0.02 -3.35 -0.08 0.00 0.00 0.00 0.00 36.38 32.93 1aby s VAL 98 CO 0.75 0.35 1.83 -0.62 0.00 0.00 0.00 175.10 177.41 1aby s ASP 99 N 1.15 6.52 0.64 3.32 -1.08 -1.26 -4.81 116.67 121.15 1aby s ASP 99 Ca 0.06 2.55 0.27 0.00 -0.52 0.00 0.00 52.55 54.91 1aby s ASP 99 Cb -0.14 -2.54 1.42 0.00 -1.46 0.00 0.00 42.92 40.20 1aby s ASP 99 CO 0.05 -0.99 1.81 -0.65 0.52 0.00 0.00 175.17 175.91 1aby h PRO 100 N 9.81 0.00 0.00 4.34 0.11 -1.97 -1.31 132.00 142.99 1aby h PRO 100 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1aby h PRO 100 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1aby h PRO 100 CO 0.94 0.00 0.00 -1.91 -0.21 0.00 0.00 178.00 176.82 1aby n GLU 101 N -3.16 0.04 0.00 1.05 4.07 -1.26 -1.20 120.64 120.18 1aby n GLU 101 Ca 0.03 0.31 -0.08 0.00 -0.06 0.00 0.00 57.16 57.35 1aby n GLU 101 Cb 0.57 -1.50 -0.13 0.00 -0.06 0.00 0.00 31.44 30.32 1aby n GLU 101 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1aby h ASN 102 N 0.00 0.01 -0.95 4.31 2.35 -1.60 -3.33 115.58 116.37 1aby h ASN 102 Ca 0.00 -0.02 0.28 0.00 -0.55 0.00 0.00 56.30 56.01 1aby h ASN 102 Cb 0.05 -0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.38 1aby h ASN 102 CO 0.00 1.01 0.71 -0.26 -1.65 0.00 0.00 177.43 177.25 1aby h PHE 103 N 0.00 0.00 0.00 1.19 0.04 -1.35 0.11 116.94 116.93 1aby h PHE 103 Ca -0.21 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.45 1aby h PHE 103 Cb 1.94 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 40.08 1aby h PHE 103 CO 0.00 0.00 -0.54 0.00 -0.60 0.00 0.00 178.31 177.17 1aby h ARG 104 N 0.00 0.00 -0.27 1.51 -0.00 -1.70 -3.03 114.38 110.88 1aby h ARG 104 Ca 0.45 0.00 -0.12 0.00 -0.50 0.00 0.00 59.98 59.81 1aby h ARG 104 Cb 1.87 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.83 1aby h ARG 104 CO -0.00 0.54 -0.34 -0.07 0.00 0.00 0.00 179.97 180.10 1aby h LEU 105 N 0.00 0.61 -0.66 3.04 3.38 -0.99 -2.05 115.31 118.63 1aby h LEU 105 Ca -0.01 -0.24 -0.14 0.00 0.09 0.00 0.00 57.88 57.58 1aby h LEU 105 Cb 1.11 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1aby h LEU 105 CO 0.07 0.90 -0.66 0.25 0.09 0.00 0.00 178.44 179.09 1aby h LEU 106 N 0.49 0.08 -0.21 1.67 5.85 -1.57 -2.22 115.31 119.40 1aby h LEU 106 Ca 0.06 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1aby h LEU 106 Cb 0.82 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1aby h LEU 106 CO 0.07 0.71 0.07 1.23 -0.34 0.00 0.00 178.44 180.18 1aby h GLY 107 N 1.84 0.35 2.00 3.75 0.00 -1.30 0.10 103.07 109.81 1aby h GLY 107 Ca -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 1aby h GLY 107 CO 0.09 0.19 -0.18 0.07 0.00 0.00 0.00 176.54 176.71 1aby h LYS 108 N 0.17 0.00 0.07 4.80 2.10 -1.36 -2.73 116.57 119.62 1aby h LYS 108 Ca 0.07 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.47 1aby h LYS 108 Cb 0.22 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.58 1aby h LYS 108 CO -0.00 0.18 -1.01 0.28 -2.00 0.00 0.00 179.45 176.90 1aby h VAL 109 N 0.00 1.34 -0.33 0.07 2.07 -1.23 -2.96 116.25 115.21 1aby h VAL 109 Ca -0.00 -2.33 -0.01 0.00 0.82 0.00 0.00 66.70 65.17 1aby h VAL 109 Cb 0.95 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 33.37 1aby h VAL 109 CO 0.02 0.70 0.15 0.25 0.02 0.00 0.00 177.57 178.72 1aby h LEU 110 N 0.15 0.44 -0.61 2.57 5.85 -0.95 -2.34 115.31 120.41 1aby h LEU 110 Ca -0.15 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.51 1aby h LEU 110 Cb 1.71 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.56 1aby h LEU 110 CO 0.20 0.45 0.29 0.58 -0.34 0.00 0.00 178.44 179.61 1aby h VAL 111 N 0.39 0.88 -0.49 1.05 2.07 -1.56 -1.32 116.25 117.27 1aby h VAL 111 Ca 0.11 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.48 1aby h VAL 111 Cb 0.13 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 1aby h VAL 111 CO -0.01 0.10 0.32 0.00 0.02 0.00 0.00 177.57 178.00 1aby h VAL 113 N 0.57 1.30 -0.34 0.00 2.07 -0.75 -0.23 116.25 118.88 1aby h VAL 113 Ca 0.19 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.47 1aby h VAL 113 Cb 0.07 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1aby h VAL 113 CO -0.05 0.39 0.19 -0.07 0.02 0.00 0.00 177.57 178.05 1aby h LEU 114 N 0.27 0.39 -0.16 2.57 3.38 -0.18 0.90 115.31 122.48 1aby h LEU 114 Ca 0.05 -0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.79 1aby h LEU 114 Cb 0.66 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.32 1aby h LEU 114 CO 0.04 0.31 -0.76 0.00 0.09 0.00 0.00 178.44 178.12 1aby h ALA 115 N 1.76 0.31 -0.36 1.53 0.00 -0.85 -2.51 119.26 119.15 1aby h ALA 115 Ca 0.12 -0.59 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1aby h ALA 115 Cb -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1aby h ALA 115 CO -0.02 0.68 0.00 1.25 0.00 0.00 0.00 179.25 181.16 1aby h HIS 116 N 0.55 0.68 -0.14 0.00 -0.00 -0.18 0.38 115.15 116.45 1aby h HIS 116 Ca -0.05 -0.12 0.00 0.00 -0.00 0.00 0.00 60.37 60.20 1aby h HIS 116 Cb 1.39 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 28.62 1aby h HIS 116 CO 0.09 0.73 0.00 0.72 -0.00 0.00 0.00 177.93 179.46 1aby n HIS 117 N -4.50 0.18 0.00 5.26 -0.00 0.23 -4.19 115.22 112.19 1aby n HIS 117 Ca -0.02 -0.09 0.00 0.00 -0.00 0.00 0.00 57.72 57.62 1aby n HIS 117 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.26 1aby n HIS 117 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1aby n PHE 118 N -0.03 0.00 0.00 4.41 3.72 -0.95 -5.05 117.46 119.57 1aby n PHE 118 Ca 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 1aby n PHE 118 Cb 0.22 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 1aby n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aby n GLY 119 N 0.40 2.51 0.31 1.37 0.00 0.13 -1.58 105.19 108.33 1aby n GLY 119 Ca 0.00 0.25 0.07 0.00 0.00 0.00 0.00 46.02 46.34 1aby n GLY 119 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1aby n LYS 120 N 14.00 -0.08 -0.32 1.61 4.81 -1.26 -0.65 118.16 136.27 1aby n LYS 120 Ca 0.00 1.33 0.03 0.00 -0.87 0.00 0.00 58.31 58.80 1aby n LYS 120 Cb 0.00 -2.01 0.17 0.00 0.02 0.00 0.00 35.03 33.21 1aby n LYS 120 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1aby h GLU 121 N 0.00 0.91 -3.58 1.64 5.08 -1.70 -3.20 114.58 113.73 1aby h GLU 121 Ca 0.44 -0.05 -0.56 0.00 -1.00 0.00 0.00 59.36 58.18 1aby h GLU 121 Cb 0.72 -0.21 0.02 0.00 0.50 0.00 0.00 28.75 29.79 1aby h GLU 121 CO -0.87 0.60 2.99 0.34 -1.00 0.00 0.00 179.01 181.08 1aby n PHE 122 N -4.65 2.07 -0.68 4.33 7.35 0.18 -4.94 117.46 121.12 1aby n PHE 122 Ca 0.14 -2.41 -0.29 0.00 -0.76 0.00 0.00 57.45 54.14 1aby n PHE 122 Cb 0.25 -2.04 0.22 0.00 0.35 0.00 0.00 39.48 38.26 1aby n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1aby s THR 123 N 3.31 2.08 0.22 -2.13 -4.23 -1.21 -4.67 115.64 109.01 1aby s THR 123 Ca 0.52 0.03 -0.08 0.00 -1.18 0.00 0.00 61.69 60.98 1aby s THR 123 Cb 0.14 -2.15 0.17 0.00 1.34 0.00 0.00 72.50 71.99 1aby s THR 123 CO -0.02 -0.03 1.82 -0.65 -0.54 0.00 0.00 174.62 175.19 1aby h PRO 124 N -2.38 0.75 0.00 3.99 0.11 -1.92 -1.85 132.00 130.71 1aby h PRO 124 Ca -0.57 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.45 1aby h PRO 124 Cb 1.32 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1aby h PRO 124 CO 0.50 0.50 -0.17 -1.35 -0.21 0.00 0.00 178.00 177.26 1aby h PRO 125 N 0.77 0.00 -0.05 1.05 0.11 -1.98 -2.44 132.00 129.46 1aby h PRO 125 Ca 0.32 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.39 1aby h PRO 125 Cb 0.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.29 1aby h PRO 125 CO -0.18 0.17 -0.13 0.28 -0.21 0.00 0.00 178.00 177.94 1aby h VAL 126 N 0.00 1.45 -0.59 3.15 2.07 -1.74 -2.89 116.25 117.70 1aby h VAL 126 Ca -0.00 -1.51 0.12 0.00 0.82 0.00 0.00 66.70 66.13 1aby h VAL 126 Cb 0.44 2.33 -0.11 0.00 -1.52 0.00 0.00 31.29 32.44 1aby h VAL 126 CO 0.02 0.42 -0.08 -0.61 0.02 0.00 0.00 177.57 177.33 1aby h GLN 127 N -0.37 0.04 -0.25 1.57 4.15 -1.12 -1.09 115.11 118.05 1aby h GLN 127 Ca -0.00 -0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.47 1aby h GLN 127 Cb 0.74 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.36 1aby h GLN 127 CO 0.03 0.03 -0.14 0.00 -1.93 0.00 0.00 178.83 176.82 1aby h ALA 128 N 1.57 0.06 -0.11 3.38 0.00 -1.45 0.25 119.26 122.95 1aby h ALA 128 Ca 0.30 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 1aby h ALA 128 Cb 0.47 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1aby h ALA 128 CO -0.57 -0.55 0.05 0.00 0.00 0.00 0.00 179.25 178.18 1aby h ALA 129 N 1.07 1.87 -0.05 0.00 0.00 -1.04 -2.18 119.26 118.94 1aby h ALA 129 Ca 0.13 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.77 1aby h ALA 129 Cb 0.31 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.07 1aby h ALA 129 CO -0.32 0.11 -0.91 1.88 0.00 0.00 0.00 179.25 180.01 1aby h TYR 130 N 0.16 1.02 -0.84 0.00 0.05 0.13 -2.78 116.97 114.70 1aby h TYR 130 Ca 0.04 -0.52 0.10 0.00 0.05 0.00 0.00 58.73 58.41 1aby h TYR 130 Cb 0.03 -0.13 -0.08 0.00 1.01 0.00 0.00 36.73 37.56 1aby h TYR 130 CO 0.00 1.35 0.48 1.96 -1.05 0.00 0.00 178.16 180.90 1aby h GLN 131 N 0.40 0.76 -0.55 4.88 1.08 0.02 0.03 115.11 121.73 1aby h GLN 131 Ca -0.10 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.03 1aby h GLN 131 Cb 1.56 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 28.80 1aby h GLN 131 CO 0.18 0.50 0.25 0.87 -0.95 0.00 0.00 178.83 179.69 1aby h LYS 132 N 0.79 0.80 -0.29 1.46 1.57 -1.39 -2.53 116.57 116.97 1aby h LYS 132 Ca 0.41 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 59.05 1aby h LYS 132 Cb 0.41 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1aby h LYS 132 CO -0.26 0.67 0.10 0.28 -0.57 0.00 0.00 179.45 179.66 1aby h VAL 133 N 0.75 1.20 -0.30 0.50 2.07 -0.74 -1.80 116.25 117.92 1aby h VAL 133 Ca 0.19 -0.63 -0.10 0.00 0.82 0.00 0.00 66.70 66.98 1aby h VAL 133 Cb 0.14 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1aby h VAL 133 CO -0.02 0.21 -0.23 -0.37 0.02 0.00 0.00 177.57 177.18 1aby h VAL 134 N 0.32 1.27 -0.50 2.57 -1.51 -1.26 -2.00 116.25 115.13 1aby h VAL 134 Ca 0.10 -1.28 -0.08 0.00 -1.23 0.00 0.00 66.70 64.21 1aby h VAL 134 Cb 0.24 1.29 -0.02 0.00 -2.13 0.00 0.00 31.29 30.67 1aby h VAL 134 CO -0.00 0.41 -0.01 0.00 -1.23 0.00 0.00 177.57 176.74 1aby h ALA 135 N 1.24 1.05 -0.26 5.19 0.00 -1.36 0.66 119.26 125.78 1aby h ALA 135 Ca 0.07 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1aby h ALA 135 Cb 0.68 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1aby h ALA 135 CO 0.05 0.59 -0.30 0.78 0.00 0.00 0.00 179.25 180.37 1aby h GLY 136 N 0.98 0.58 1.66 0.00 0.00 -1.04 -1.91 103.07 103.35 1aby h GLY 136 Ca 0.15 -0.52 -0.20 0.00 0.00 0.00 0.00 47.33 46.77 1aby h GLY 136 CO 0.02 0.47 -0.83 -2.08 0.00 0.00 0.00 176.54 174.12 1aby h VAL 137 N 0.46 1.43 -0.43 4.60 2.07 -0.93 -2.84 116.25 120.62 1aby h VAL 137 Ca 0.06 -2.39 -0.10 0.00 0.82 0.00 0.00 66.70 65.09 1aby h VAL 137 Cb 0.76 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 1aby h VAL 137 CO 0.06 0.71 -0.11 0.00 0.02 0.00 0.00 177.57 178.25 1aby h ALA 138 N 0.92 0.59 0.00 1.67 0.00 -0.70 -1.39 119.26 120.34 1aby h ALA 138 Ca -0.05 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1aby h ALA 138 Cb 1.44 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1aby h ALA 138 CO 0.14 0.47 0.00 -0.91 0.00 0.00 0.00 179.25 178.95 1aby h ASN 139 N 0.65 0.00 0.32 0.00 2.35 -1.37 -1.67 115.58 115.86 1aby h ASN 139 Ca 0.11 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.53 1aby h ASN 139 Cb 0.64 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.02 1aby h ASN 139 CO 0.04 0.00 -1.58 0.00 -1.65 0.00 0.00 177.43 174.25 1aby h ALA 140 N 2.15 0.09 -0.13 -0.83 0.00 -1.18 -3.04 119.26 116.32 1aby h ALA 140 Ca 0.00 -1.03 -0.11 0.00 0.00 0.00 0.00 54.91 53.77 1aby h ALA 140 Cb 0.44 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1aby h ALA 140 CO 0.00 0.96 -0.41 -0.07 0.00 0.00 0.00 179.25 179.73 1aby h LEU 141 N 0.11 0.31 -1.01 0.00 -0.00 -0.87 -2.87 115.31 110.98 1aby h LEU 141 Ca -0.28 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.48 1aby h LEU 141 Cb 2.09 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 42.66 1aby h LEU 141 CO 0.21 0.69 0.00 0.00 -0.00 0.00 0.00 178.44 179.33 1aby n ALA 142 N -2.48 2.54 0.05 1.53 0.00 -0.66 -4.44 120.51 117.05 1aby n ALA 142 Ca -0.01 -0.48 -0.07 0.00 0.00 0.00 0.00 53.44 52.87 1aby n ALA 142 Cb 0.48 -1.12 0.10 0.00 0.00 0.00 0.00 19.45 18.91 1aby n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1aby h HIS 143 N 2.11 0.47 -0.01 0.00 6.17 -1.38 -3.28 115.15 119.23 1aby h HIS 143 Ca 0.00 -0.17 0.00 0.00 0.71 0.00 0.00 60.37 60.91 1aby h HIS 143 Cb 0.46 -0.09 0.00 0.00 2.52 0.00 0.00 27.41 30.30 1aby h HIS 143 CO 0.08 0.85 -0.16 1.63 0.71 0.00 0.00 177.93 181.04 1aby n LYS 144 N -3.92 1.06 -1.15 5.26 4.76 -1.26 -4.95 118.16 117.95 1aby n LYS 144 Ca -0.03 -0.59 -0.35 0.00 -2.87 0.00 0.00 58.31 54.47 1aby n LYS 144 Cb 0.60 -1.49 0.09 0.00 -1.84 0.00 0.00 35.03 32.39 1aby n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1aby n TYR 145 N -0.45 -0.63 -0.62 2.13 4.02 -1.24 -4.89 117.16 115.47 1aby n TYR 145 Ca 0.15 0.33 0.00 0.00 -0.01 0.00 0.00 57.90 58.37 1aby n TYR 145 Cb 0.34 -1.92 0.00 0.00 -0.02 0.00 0.00 39.34 37.74 1aby n TYR 145 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 176.86 173.46