#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aby n HIS 2 N 0.00 -0.50 -4.00 1.12 -0.00 -1.26 -5.01 115.22 105.58 1aby n HIS 2 Ca 0.00 0.22 -0.31 0.00 -0.00 0.00 0.00 57.72 57.63 1aby n HIS 2 Cb 0.00 -1.37 -0.05 0.00 -0.00 0.00 0.00 29.99 28.57 1aby n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1aby s LEU 3 N -1.03 4.04 0.92 0.27 1.02 -1.26 -5.10 118.68 117.54 1aby s LEU 3 Ca -0.00 0.12 -0.12 0.00 0.02 0.00 0.00 54.13 54.14 1aby s LEU 3 Cb 0.00 -2.67 0.14 0.00 0.02 0.00 0.00 46.19 43.69 1aby s LEU 3 CO 0.10 0.18 1.12 0.42 0.02 0.00 0.00 176.35 178.18 1aby s THR 4 N -1.43 2.17 0.13 5.49 -4.23 -1.26 -4.80 115.64 111.72 1aby s THR 4 Ca 0.31 0.06 -0.14 0.00 -1.18 0.00 0.00 61.69 60.74 1aby s THR 4 Cb -0.13 -2.72 -0.02 0.00 1.34 0.00 0.00 72.50 70.97 1aby s THR 4 CO 0.24 -0.07 1.55 -0.65 -0.54 0.00 0.00 174.62 175.15 1aby h PRO 5 N -1.56 0.74 0.00 3.99 0.11 -1.99 -0.32 132.00 132.98 1aby h PRO 5 Ca -0.51 -0.26 -0.03 0.00 0.11 0.00 0.00 66.00 65.31 1aby h PRO 5 Cb 1.32 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1aby h PRO 5 CO 0.60 0.85 -0.15 1.05 -0.21 0.00 0.00 178.00 180.15 1aby h GLU 6 N 0.56 0.00 -0.04 1.05 9.09 -1.98 0.33 114.58 123.59 1aby h GLU 6 Ca 0.11 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.36 1aby h GLU 6 Cb 0.55 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.66 1aby h GLU 6 CO 0.03 0.15 -0.60 0.93 0.05 0.00 0.00 179.01 179.57 1aby h GLU 7 N 0.00 0.48 -0.69 1.06 5.08 -1.86 -1.32 114.58 117.33 1aby h GLU 7 Ca -0.00 -0.46 0.06 0.00 -1.00 0.00 0.00 59.36 57.96 1aby h GLU 7 Cb 0.41 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 1aby h GLU 7 CO 0.02 1.10 0.40 0.87 -1.00 0.00 0.00 179.01 180.39 1aby h LYS 8 N 0.03 0.71 -0.52 2.33 1.57 -0.09 -0.84 116.57 119.75 1aby h LYS 8 Ca -0.06 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 1aby h LYS 8 Cb 1.27 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 1aby h LYS 8 CO 0.12 0.47 0.06 1.03 -0.57 0.00 0.00 179.45 180.56 1aby h SER 9 N 0.73 0.80 -0.12 0.86 0.87 -0.31 -2.65 113.55 113.73 1aby h SER 9 Ca 0.31 -0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.64 1aby h SER 9 Cb 0.17 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1aby h SER 9 CO -0.17 0.83 -0.11 0.00 -0.53 0.00 0.00 176.83 176.84 1aby h ALA 10 N 1.26 0.17 -0.03 6.23 0.00 -0.39 -1.59 119.26 124.92 1aby h ALA 10 Ca 0.16 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1aby h ALA 10 Cb 0.40 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1aby h ALA 10 CO 0.01 0.03 -0.18 0.28 0.00 0.00 0.00 179.25 179.39 1aby h VAL 11 N -0.10 0.57 -0.60 0.00 2.07 -1.15 -1.96 116.25 115.07 1aby h VAL 11 Ca 0.02 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.46 1aby h VAL 11 Cb 0.63 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1aby h VAL 11 CO 0.03 0.00 0.07 0.71 0.02 0.00 0.00 177.57 178.40 1aby h THR 12 N -0.28 1.26 -0.36 2.57 1.35 -1.52 -0.43 112.91 115.51 1aby h THR 12 Ca 0.06 -1.04 0.05 0.00 -0.55 0.00 0.00 66.41 64.93 1aby h THR 12 Cb 0.36 0.76 -0.05 0.00 -1.73 0.00 0.00 68.15 67.50 1aby h THR 12 CO -0.19 0.38 0.07 0.00 -0.25 0.00 0.00 175.52 175.54 1aby h ALA 13 N 1.01 0.38 -0.29 6.62 0.00 -1.07 -2.41 119.26 123.50 1aby h ALA 13 Ca 0.18 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.99 1aby h ALA 13 Cb 0.46 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1aby h ALA 13 CO 0.02 -0.33 -0.48 1.25 0.00 0.00 0.00 179.25 179.70 1aby h LEU 14 N 0.19 0.86 -2.17 0.00 5.85 -1.25 -2.93 115.31 115.86 1aby h LEU 14 Ca 0.17 -0.43 0.04 0.00 0.84 0.00 0.00 57.88 58.49 1aby h LEU 14 Cb 0.19 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1aby h LEU 14 CO -0.22 1.20 0.11 -0.25 -0.34 0.00 0.00 178.44 178.94 1aby h TRP 15 N 0.62 0.00 0.00 1.25 2.91 -0.63 -1.66 115.95 118.44 1aby h TRP 15 Ca 0.03 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.00 1aby h TRP 15 Cb 1.06 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.71 1aby h TRP 15 CO 0.06 0.00 -0.22 0.78 -1.03 0.00 0.00 178.44 178.03 1aby h GLY 16 N 0.00 0.00 -0.29 2.65 0.00 -1.24 -1.58 103.07 102.60 1aby h GLY 16 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1aby h GLY 16 CO -0.00 0.00 -0.01 0.28 0.00 0.00 0.00 176.54 176.81 1aby n LYS 17 N -3.70 1.57 -3.07 4.80 5.02 -0.63 -4.89 118.16 117.26 1aby n LYS 17 Ca -0.01 -0.85 -0.39 0.00 -2.02 0.00 0.00 58.31 55.03 1aby n LYS 17 Cb 0.34 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.81 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 -2.01 4.66 -0.79 -0.18 1.01 -0.60 -5.02 120.40 117.47 1aby s VAL 18 Ca 0.39 1.51 -0.10 0.00 0.00 0.00 0.00 61.98 63.78 1aby s VAL 18 Cb 0.21 -4.05 0.21 0.00 0.00 0.00 0.00 36.38 32.74 1aby s VAL 18 CO 0.34 0.45 0.69 0.21 0.00 0.00 0.00 175.10 176.79 1aby s ASN 19 N -0.57 6.31 0.30 3.32 3.84 -1.26 -4.97 114.94 121.90 1aby s ASN 19 Ca 0.35 -2.83 0.03 0.00 0.21 0.00 0.00 52.86 50.62 1aby s ASN 19 Cb -0.21 -2.09 0.77 0.00 -0.55 0.00 0.00 41.25 39.16 1aby s ASN 19 CO 0.22 -0.48 1.63 0.58 -2.79 0.00 0.00 177.10 176.26 1aby h VAL 20 N 4.84 0.25 -0.94 -5.21 2.07 -1.95 0.40 116.25 115.70 1aby h VAL 20 Ca 0.08 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.55 1aby h VAL 20 Cb 1.00 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 1aby h VAL 20 CO 0.75 0.03 0.62 0.44 0.02 0.00 0.00 177.57 179.43 1aby h ASP 21 N 0.16 1.09 -0.02 0.57 3.32 -1.93 -1.07 116.42 118.53 1aby h ASP 21 Ca 0.58 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.55 1aby h ASP 21 Cb 1.22 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.50 1aby h ASP 21 CO -0.70 0.79 -0.18 -0.08 -1.72 0.00 0.00 179.24 177.35 1aby h GLU 22 N 1.28 0.16 -0.17 3.56 4.81 -1.38 -3.21 114.58 119.63 1aby h GLU 22 Ca 0.35 -0.14 -0.21 0.00 -0.13 0.00 0.00 59.36 59.23 1aby h GLU 22 Cb -0.14 0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.28 1aby h GLU 22 CO -0.07 0.83 -0.71 0.28 -0.73 0.00 0.00 179.01 178.60 1aby h VAL 23 N -0.46 1.29 -0.77 0.32 2.07 -1.29 -3.11 116.25 114.30 1aby h VAL 23 Ca -0.02 -1.94 -0.02 0.00 0.82 0.00 0.00 66.70 65.55 1aby h VAL 23 Cb 0.87 1.91 -0.04 0.00 -1.52 0.00 0.00 31.29 32.52 1aby h VAL 23 CO 0.04 0.61 0.41 1.23 0.02 0.00 0.00 177.57 179.88 1aby h GLY 24 N 0.71 1.16 1.11 2.17 0.00 -1.34 0.12 103.07 107.01 1aby h GLY 24 Ca -0.03 -0.53 -0.12 0.00 0.00 0.00 0.00 47.33 46.65 1aby h GLY 24 CO 0.15 0.50 -0.13 -1.33 0.00 0.00 0.00 176.54 175.73 1aby h GLY 25 N 1.12 1.12 1.45 4.60 0.00 -1.59 -2.45 103.07 107.32 1aby h GLY 25 Ca 0.27 -0.92 -0.23 0.00 0.00 0.00 0.00 47.33 46.45 1aby h GLY 25 CO -0.04 0.84 -0.91 -2.09 0.00 0.00 0.00 176.54 174.34 1aby h GLU 26 N 0.91 0.51 -0.62 4.80 4.81 -1.41 -1.30 114.58 122.27 1aby h GLU 26 Ca 0.14 -0.51 -0.03 0.00 -0.13 0.00 0.00 59.36 58.82 1aby h GLU 26 Cb 0.71 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 1aby h GLU 26 CO 0.05 1.15 0.26 0.00 -0.73 0.00 0.00 179.01 179.74 1aby h ALA 27 N 0.68 0.81 0.00 2.92 0.00 -0.73 -0.96 119.26 121.98 1aby h ALA 27 Ca -0.08 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 1aby h ALA 27 Cb 1.54 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1aby h ALA 27 CO 0.17 0.41 -0.56 -0.07 0.00 0.00 0.00 179.25 179.20 1aby h LEU 28 N 0.87 0.00 -0.37 0.00 4.07 -1.42 -2.43 115.31 116.03 1aby h LEU 28 Ca 0.21 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 58.00 1aby h LEU 28 Cb 0.18 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.92 1aby h LEU 28 CO -0.02 0.56 -0.48 1.23 -1.08 0.00 0.00 178.44 178.64 1aby h GLY 29 N 2.67 0.94 1.52 0.83 0.00 -0.89 -3.14 103.07 104.99 1aby h GLY 29 Ca -0.01 -1.04 -0.08 0.00 0.00 0.00 0.00 47.33 46.20 1aby h GLY 29 CO 0.07 0.94 -0.12 3.21 0.00 0.00 0.00 176.54 180.64 1aby h ARG 30 N 0.68 0.58 -0.41 4.80 3.08 -1.03 -1.91 114.38 120.17 1aby h ARG 30 Ca 0.03 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1aby h ARG 30 Cb 1.08 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.05 1aby h ARG 30 CO 0.11 0.69 0.25 1.25 -1.07 0.00 0.00 179.97 181.21 1aby h LEU 31 N 0.53 0.48 -1.01 3.04 5.85 -1.39 0.46 115.31 123.28 1aby h LEU 31 Ca 0.10 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1aby h LEU 31 Cb 0.53 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 1aby h LEU 31 CO 0.03 0.37 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.35 1aby h LEU 32 N 0.54 0.00 0.07 2.25 4.07 -1.47 0.38 115.31 121.15 1aby h LEU 32 Ca 0.15 0.00 -0.37 0.00 0.08 0.00 0.00 57.88 57.73 1aby h LEU 32 Cb -0.03 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.68 1aby h LEU 32 CO -0.03 0.09 -2.18 0.52 -1.08 0.00 0.00 178.44 175.76 1aby n VAL 33 N -3.18 1.66 0.04 1.22 0.31 -0.74 -3.53 118.33 114.11 1aby n VAL 33 Ca 0.01 -0.64 -0.11 0.00 -0.01 0.00 0.00 64.34 63.59 1aby n VAL 33 Cb 0.41 -1.55 -0.13 0.00 -0.91 0.00 0.00 33.84 31.65 1aby n VAL 33 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1aby h VAL 34 N 0.04 1.29 -2.15 2.52 2.07 -0.12 -3.36 116.25 116.54 1aby h VAL 34 Ca -0.48 -3.00 -0.57 0.00 0.82 0.00 0.00 66.70 63.47 1aby h VAL 34 Cb 1.99 2.72 -0.41 0.00 -1.52 0.00 0.00 31.29 34.07 1aby h VAL 34 CO 0.02 0.80 -0.81 -1.22 0.02 0.00 0.00 177.57 176.38 1aby n TYR 35 N -3.33 2.37 0.07 1.57 4.01 0.12 -4.95 117.16 117.03 1aby n TYR 35 Ca -0.11 -3.94 0.20 0.00 -0.16 0.00 0.00 57.90 53.90 1aby n TYR 35 Cb 1.01 -0.48 0.66 0.00 -0.31 0.00 0.00 39.34 40.22 1aby n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1aby h PRO 36 N 3.66 0.00 0.00 -0.72 0.13 -1.69 -0.31 132.00 133.07 1aby h PRO 36 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1aby h PRO 36 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1aby h PRO 36 CO 0.70 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.58 1aby h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.90 -2.78 115.95 112.92 1aby h TRP 37 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.20 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 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1aby n THR 38 N -2.75 0.43 1.15 0.12 -2.24 -0.13 -2.85 114.28 108.02 1aby n THR 38 Ca 0.02 -0.05 0.11 0.00 -2.27 0.00 0.00 64.05 61.86 1aby n THR 38 Cb 0.32 -0.67 0.59 0.00 -2.10 0.00 0.00 70.33 68.48 1aby n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aby n GLN 39 N -1.86 0.42 0.28 -0.78 10.64 -1.05 -2.07 117.38 122.97 1aby n GLN 39 Ca 0.05 0.06 0.15 0.00 -1.83 0.00 0.00 57.00 55.43 1aby n GLN 39 Cb 0.34 -1.50 0.82 0.00 -0.86 0.00 0.00 30.24 29.04 1aby n GLN 39 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 1aby h ARG 40 N 0.00 0.00 -0.00 2.61 2.43 -1.73 -0.49 114.38 117.19 1aby h ARG 40 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1aby h ARG 40 Cb 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1aby h ARG 40 CO 0.00 0.07 -0.33 1.19 -1.51 0.00 0.00 179.97 179.39 1aby n PHE 41 N -3.55 0.00 -1.94 2.20 3.72 -0.88 -4.18 117.46 112.83 1aby n PHE 41 Ca -0.02 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.32 1aby n PHE 41 Cb 0.20 -0.22 0.11 0.00 -0.94 0.00 0.00 39.48 38.62 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 -1.16 1.11 -0.10 1.38 3.01 -0.20 -4.82 117.46 116.68 1aby n PHE 42 Ca 0.09 -1.72 0.24 0.00 1.01 0.00 0.00 57.45 57.07 1aby n PHE 42 Cb 0.33 -0.27 0.69 0.00 -0.01 0.00 0.00 39.48 40.22 1aby n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1aby h GLU 43 N 1.56 0.03 0.00 -1.08 5.08 -1.71 -0.19 114.58 118.28 1aby h GLU 43 Ca 0.10 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1aby h GLU 43 Cb 1.31 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1aby h GLU 43 CO 0.30 0.02 0.00 -1.13 -1.00 0.00 0.00 179.01 177.21 1aby n SER 44 N -4.33 0.36 0.16 1.42 3.41 -1.26 -3.35 113.62 110.02 1aby n SER 44 Ca 0.15 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.45 1aby n SER 44 Cb 0.78 -0.65 0.54 0.00 -0.26 0.00 0.00 64.21 64.63 1aby n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1aby h PHE 45 N 0.00 0.00 0.00 7.33 -1.00 -1.42 -3.49 116.94 118.36 1aby h PHE 45 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1aby h PHE 45 Cb 0.46 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.02 1aby h PHE 45 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1aby n GLY 46 N -0.08 0.52 3.59 -1.45 0.00 -1.21 -4.68 105.19 101.89 1aby n GLY 46 Ca 0.02 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 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 6.45 -0.31 1.61 2.15 -1.26 -4.92 116.67 116.40 1aby s ASP 47 Ca 0.00 0.33 0.16 0.00 0.43 0.00 0.00 52.55 53.47 1aby s ASP 47 Cb 0.00 -2.32 0.47 0.00 -0.30 0.00 0.00 42.92 40.78 1aby s ASP 47 CO 0.00 -0.48 1.09 0.18 -0.17 0.00 0.00 175.17 175.79 1aby n LEU 48 N 5.86 2.74 0.02 -1.34 4.77 -1.26 -4.36 117.00 123.43 1aby n LEU 48 Ca -0.02 -3.88 -0.15 0.00 -0.03 0.00 0.00 56.01 51.94 1aby n LEU 48 Cb 0.49 0.15 -0.14 0.00 -2.33 0.00 0.00 43.42 41.59 1aby n LEU 48 CO 0.46 1.57 -0.51 0.77 -1.33 0.00 0.00 177.39 178.35 1aby h SER 49 N 2.60 0.25 -4.04 -1.43 4.64 -1.95 -3.47 113.55 110.14 1aby h SER 49 Ca 0.05 -0.45 -0.63 0.00 -0.47 0.00 0.00 61.79 60.29 1aby h SER 49 Cb 1.26 -0.08 -0.22 0.00 -0.31 0.00 0.00 62.40 63.05 1aby h SER 49 CO 0.48 1.39 -0.85 0.42 -0.87 0.00 0.00 176.83 177.39 1aby s THR 50 N -2.60 2.02 0.51 2.95 -4.23 -1.26 -5.03 115.64 108.00 1aby s THR 50 Ca -0.11 -1.65 0.19 0.00 -1.18 0.00 0.00 61.69 58.95 1aby s THR 50 Cb 0.07 -1.80 0.33 0.00 1.34 0.00 0.00 72.50 72.44 1aby s THR 50 CO 0.82 0.04 2.05 -0.65 -0.54 0.00 0.00 174.62 176.35 1aby h PRO 51 N 4.02 0.09 -0.22 3.99 0.11 -1.99 -0.21 132.00 137.78 1aby h PRO 51 Ca -0.49 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 1aby h PRO 51 Cb 1.17 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1aby h PRO 51 CO 0.39 0.06 -0.21 -0.44 -0.21 0.00 0.00 178.00 177.59 1aby h ASP 52 N 0.09 0.39 0.13 -2.05 5.19 -1.99 -2.32 116.42 115.86 1aby h ASP 52 Ca 0.16 -0.11 -0.29 0.00 -0.62 0.00 0.00 57.03 56.16 1aby h ASP 52 Cb 0.51 -0.10 0.03 0.00 0.18 0.00 0.00 39.33 39.94 1aby h ASP 52 CO -0.01 0.61 -1.21 0.00 -3.12 0.00 0.00 179.24 175.51 1aby h ALA 53 N 1.43 -0.03 0.18 3.45 0.00 -1.40 -2.70 119.26 120.19 1aby h ALA 53 Ca 0.06 -0.77 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 1aby h ALA 53 Cb 0.57 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1aby h ALA 53 CO 0.04 0.65 -0.09 0.28 0.00 0.00 0.00 179.25 180.13 1aby h VAL 54 N 0.20 0.88 -0.26 0.00 2.07 -1.29 0.66 116.25 118.52 1aby h VAL 54 Ca -0.19 -0.29 -0.09 0.00 0.82 0.00 0.00 66.70 66.95 1aby h VAL 54 Cb 1.90 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1aby h VAL 54 CO 0.23 0.07 -0.23 0.24 0.02 0.00 0.00 177.57 177.90 1aby h MET 55 N -0.38 0.48 0.00 1.57 2.07 -1.56 -2.61 114.93 114.49 1aby h MET 55 Ca -0.02 -0.17 0.00 0.00 -2.07 0.00 0.00 59.70 57.44 1aby h MET 55 Cb 0.30 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 29.99 1aby h MET 55 CO 0.04 0.68 -0.38 0.78 1.07 0.00 0.00 176.91 179.10 1aby h GLY 56 N 1.00 0.00 -5.28 8.32 0.00 -1.39 -3.47 103.07 102.25 1aby h GLY 56 Ca 0.07 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.86 1aby h GLY 56 CO 0.04 0.00 1.18 0.21 0.00 0.00 0.00 176.54 177.98 1aby s ASN 57 N -5.26 6.50 0.24 0.19 3.84 0.23 -4.92 114.94 115.76 1aby s ASN 57 Ca 0.06 2.59 -0.05 0.00 0.21 0.00 0.00 52.86 55.66 1aby s ASN 57 Cb 0.09 -2.54 0.36 0.00 -0.55 0.00 0.00 41.25 38.62 1aby s ASN 57 CO 0.70 -1.02 1.81 -0.65 -2.79 0.00 0.00 177.10 175.15 1aby h PRO 58 N 10.09 0.75 -0.52 0.43 0.11 -1.88 -2.42 132.00 138.56 1aby h PRO 58 Ca -0.47 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 1aby h PRO 58 Cb 1.22 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1aby h PRO 58 CO 0.94 0.50 0.02 0.87 -0.21 0.00 0.00 178.00 180.12 1aby h LYS 59 N 0.77 0.90 -0.32 1.05 6.56 -1.91 -2.31 116.57 121.31 1aby h LYS 59 Ca 0.38 -0.28 0.06 0.00 -1.06 0.00 0.00 60.65 59.75 1aby h LYS 59 Cb 0.32 -0.09 -0.05 0.00 -0.57 0.00 0.00 32.23 31.84 1aby h LYS 59 CO -0.23 0.92 0.01 0.28 -2.06 0.00 0.00 179.45 178.36 1aby h VAL 60 N 0.78 0.77 -0.32 0.50 2.07 -1.75 -0.88 116.25 117.42 1aby h VAL 60 Ca 0.15 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.65 1aby h VAL 60 Cb 0.49 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1aby h VAL 60 CO 0.02 0.02 0.17 0.11 0.02 0.00 0.00 177.57 177.91 1aby h LYS 61 N 0.10 0.35 0.02 1.57 1.57 -1.34 -1.82 116.57 117.02 1aby h LYS 61 Ca 0.16 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1aby h LYS 61 Cb 0.21 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1aby h LYS 61 CO -0.26 0.23 -0.01 0.00 -0.57 0.00 0.00 179.45 178.84 1aby h ALA 62 N 1.15 -0.02 -0.45 3.86 0.00 -1.20 -2.94 119.26 119.66 1aby h ALA 62 Ca 0.13 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1aby h ALA 62 Cb 0.03 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1aby h ALA 62 CO -0.08 -0.49 0.30 1.25 0.00 0.00 0.00 179.25 180.23 1aby h HIS 63 N -0.06 0.53 -0.69 0.00 -0.00 -0.97 -2.81 115.15 111.15 1aby h HIS 63 Ca -0.00 0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.31 1aby h HIS 63 Cb 0.05 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.26 1aby h HIS 63 CO -0.07 0.32 0.14 0.78 -0.00 0.00 0.00 177.93 179.11 1aby h GLY 64 N 0.56 1.21 0.83 5.26 0.00 -1.16 -1.76 103.07 108.01 1aby h GLY 64 Ca 0.17 -0.78 0.04 0.00 0.00 0.00 0.00 47.33 46.77 1aby h GLY 64 CO -0.04 0.72 0.63 0.50 0.00 0.00 0.00 176.54 178.35 1aby h LYS 65 N 1.05 1.15 0.07 4.80 1.57 -1.37 -0.63 116.57 123.21 1aby h LYS 65 Ca 0.21 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1aby h LYS 65 Cb 0.40 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1aby h LYS 65 CO 0.01 0.76 -0.03 0.87 -0.57 0.00 0.00 179.45 180.49 1aby h LYS 66 N 1.19 -0.09 0.18 3.15 1.57 -1.48 0.42 116.57 121.50 1aby h LYS 66 Ca 0.39 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.19 1aby h LYS 66 Cb 0.05 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 1aby h LYS 66 CO -0.14 0.06 -0.37 0.28 -0.57 0.00 0.00 179.45 178.71 1aby h VAL 67 N -0.22 0.24 0.00 0.50 2.07 -0.95 -1.17 116.25 116.71 1aby h VAL 67 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1aby h VAL 67 Cb 0.19 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1aby h VAL 67 CO 0.02 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 177.54 1aby h LEU 68 N -0.63 0.00 -0.19 2.57 3.38 -1.12 -1.61 115.31 117.71 1aby h LEU 68 Ca 0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.76 1aby h LEU 68 Cb 0.64 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.40 1aby h LEU 68 CO -0.18 0.00 -0.78 1.23 0.09 0.00 0.00 178.44 178.80 1aby h GLY 69 N 1.92 0.83 1.43 0.83 0.00 0.22 -2.33 103.07 105.97 1aby h GLY 69 Ca 0.00 -1.17 -0.05 0.00 0.00 0.00 0.00 47.33 46.11 1aby h GLY 69 CO 0.00 1.04 0.08 0.00 0.00 0.00 0.00 176.54 177.66 1aby h ALA 70 N 0.60 1.27 -0.29 3.60 0.00 -0.27 -2.97 119.26 121.20 1aby h ALA 70 Ca -0.05 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1aby h ALA 70 Cb 1.40 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1aby h ALA 70 CO 0.16 0.50 0.03 0.35 0.00 0.00 0.00 179.25 180.29 1aby h PHE 71 N 0.69 0.52 0.00 0.00 3.04 -1.30 -1.57 116.94 118.33 1aby h PHE 71 Ca 0.15 -0.08 -0.01 0.00 3.98 0.00 0.00 57.97 62.01 1aby h PHE 71 Cb 0.31 -0.14 -0.00 0.00 2.56 0.00 0.00 35.95 38.68 1aby h PHE 71 CO 0.02 0.60 -0.06 0.77 -2.02 0.00 0.00 178.31 177.62 1aby h SER 72 N 0.29 0.00 0.05 0.41 0.02 -1.27 -0.36 113.55 112.69 1aby h SER 72 Ca 0.08 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1aby h SER 72 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1aby h SER 72 CO 0.01 0.06 -0.03 -0.78 -1.14 0.00 0.00 176.83 174.95 1aby h ASP 73 N 0.00 -0.06 -0.99 3.07 3.58 -1.28 -0.25 116.42 120.48 1aby h ASP 73 Ca -0.00 -0.55 0.21 0.00 0.42 0.00 0.00 57.03 57.11 1aby h ASP 73 Cb 0.15 0.02 -0.09 0.00 1.72 0.00 0.00 39.33 41.13 1aby h ASP 73 CO 0.01 0.57 0.62 1.23 -2.88 0.00 0.00 179.24 178.78 1aby h GLY 74 N -0.74 1.41 1.94 -0.78 0.00 -0.22 0.68 103.07 105.36 1aby h GLY 74 Ca -0.01 -0.28 -0.16 0.00 0.00 0.00 0.00 47.33 46.89 1aby h GLY 74 CO 0.01 -0.07 -0.72 1.41 0.00 0.00 0.00 176.54 177.17 1aby h LEU 75 N 0.58 0.07 -0.46 3.11 3.38 -1.02 -2.61 115.31 118.36 1aby h LEU 75 Ca 0.56 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.48 1aby h LEU 75 Cb 1.12 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1aby h LEU 75 CO -0.31 0.77 0.00 0.00 0.09 0.00 0.00 178.44 178.99 1aby h ALA 76 N 1.23 1.00 -1.62 1.53 0.00 0.21 -3.25 119.26 118.36 1aby h ALA 76 Ca -0.01 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.42 1aby h ALA 76 Cb 1.28 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.66 1aby h ALA 76 CO 0.10 0.00 -1.02 0.72 0.00 0.00 0.00 179.25 179.05 1aby n HIS 77 N -2.50 1.73 0.32 0.00 8.25 0.02 -4.96 115.22 118.08 1aby n HIS 77 Ca 0.03 -3.38 0.20 0.00 -0.26 0.00 0.00 57.72 54.32 1aby n HIS 77 Cb 0.36 -0.36 1.10 0.00 1.12 0.00 0.00 29.99 32.21 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 2.92 0.00 -2.00 2.41 5.85 -1.51 -2.42 115.31 120.56 1aby h LEU 78 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1aby h LEU 78 Cb 0.95 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.98 1aby h LEU 78 CO 0.62 0.00 0.00 0.47 -0.34 0.00 0.00 178.44 179.19 1aby n ASP 79 N -3.38 2.98 -2.72 1.25 8.00 -1.26 -4.49 116.55 116.92 1aby n ASP 79 Ca -0.03 -2.22 -0.06 0.00 0.71 0.00 0.00 54.79 53.19 1aby n ASP 79 Cb 0.08 -0.42 0.05 0.00 -0.02 0.00 0.00 41.12 40.81 1aby n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1aby n ASN 80 N 0.64 -2.48 0.14 -2.24 5.15 -0.91 -5.01 115.26 110.55 1aby n ASN 80 Ca 0.16 -2.60 0.02 0.00 -0.60 0.00 0.00 54.58 51.55 1aby n ASN 80 Cb 0.55 1.43 0.13 0.00 -0.53 0.00 0.00 39.78 41.37 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 4.03 0.00 -0.44 1.20 3.38 -1.79 -3.28 115.31 118.42 1aby h LEU 81 Ca -0.11 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.71 1aby h LEU 81 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1aby h LEU 81 CO 0.09 0.56 -0.37 0.11 0.09 0.00 0.00 178.44 178.92 1aby h LYS 82 N 0.00 0.90 0.00 1.13 1.57 -1.93 -2.23 116.57 116.01 1aby h LYS 82 Ca -0.01 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1aby h LYS 82 Cb 1.24 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1aby h LYS 82 CO 0.07 1.11 0.00 0.41 -0.57 0.00 0.00 179.45 180.47 1aby n GLY 83 N 0.09 -1.41 0.10 3.86 0.00 -1.24 -2.38 105.19 104.21 1aby n GLY 83 Ca -0.02 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1aby n GLY 83 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1aby n THR 84 N -2.09 1.57 -0.94 2.61 -1.04 -1.12 -4.36 114.28 108.90 1aby n THR 84 Ca 0.04 -0.77 0.08 0.00 -2.04 0.00 0.00 64.05 61.36 1aby n THR 84 Cb 0.30 -1.04 0.34 0.00 -1.82 0.00 0.00 70.33 68.11 1aby n THR 84 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1aby n PHE 85 N -3.06 1.57 -0.04 -1.42 3.72 -0.85 -4.60 117.46 112.79 1aby n PHE 85 Ca -0.27 -0.79 -0.13 0.00 -0.05 0.00 0.00 57.45 56.21 1aby n PHE 85 Cb 1.07 -0.42 -0.08 0.00 -0.94 0.00 0.00 39.48 39.11 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 3.03 0.13 -0.07 4.37 0.00 -1.67 0.58 119.26 125.63 1aby h ALA 86 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1aby h ALA 86 Cb 1.74 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 1aby h ALA 86 CO 0.37 -0.06 0.05 1.15 0.00 0.00 0.00 179.25 180.76 1aby h THR 87 N -0.19 1.04 -0.48 0.00 2.02 -1.89 -0.89 112.91 112.52 1aby h THR 87 Ca 0.02 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 1aby h THR 87 Cb 0.58 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 1aby h THR 87 CO 0.02 0.04 0.20 -0.07 0.37 0.00 0.00 175.52 176.08 1aby h LEU 88 N 0.07 0.61 0.20 2.58 3.38 -1.83 0.25 115.31 120.57 1aby h LEU 88 Ca 0.03 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1aby h LEU 88 Cb 0.02 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1aby h LEU 88 CO -0.01 0.54 -0.10 -1.28 0.09 0.00 0.00 178.44 177.69 1aby h SER 89 N 0.67 -0.23 -0.95 -0.43 0.87 0.61 -2.02 113.55 112.07 1aby h SER 89 Ca 0.17 -0.23 0.13 0.00 -1.23 0.00 0.00 61.79 60.62 1aby h SER 89 Cb 0.12 0.06 -0.09 0.00 -0.44 0.00 0.00 62.40 62.05 1aby h SER 89 CO -0.02 0.13 0.58 -0.33 -0.53 0.00 0.00 176.83 176.66 1aby h GLU 90 N -0.62 0.86 -0.11 2.24 5.08 -0.92 -1.87 114.58 119.24 1aby h GLU 90 Ca -0.03 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1aby h GLU 90 Cb 0.45 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1aby h GLU 90 CO 0.05 0.57 0.03 1.25 -1.00 0.00 0.00 179.01 179.91 1aby h LEU 91 N 0.89 0.16 -1.38 1.33 5.85 -0.82 0.10 115.31 121.44 1aby h LEU 91 Ca 0.48 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.94 1aby h LEU 91 Cb 0.53 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1aby h LEU 91 CO -0.29 0.32 -0.20 0.45 -0.34 0.00 0.00 178.44 178.39 1aby h HIS 92 N -0.02 0.18 0.01 1.25 3.86 -0.97 -0.02 115.15 119.45 1aby h HIS 92 Ca 0.03 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1aby h HIS 92 Cb 0.23 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.65 1aby h HIS 92 CO -0.00 0.36 -0.01 0.00 0.86 0.00 0.00 177.93 179.14 1aby h ASP 94 N -0.44 0.15 0.06 0.00 3.32 -1.06 -2.72 116.42 115.73 1aby h ASP 94 Ca -0.00 -0.42 -0.17 0.00 0.02 0.00 0.00 57.03 56.46 1aby h ASP 94 Cb 0.02 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1aby h ASP 94 CO 0.00 0.54 -0.85 0.50 -1.72 0.00 0.00 179.24 177.71 1aby h LYS 95 N -0.24 0.12 0.00 3.56 3.11 -1.18 -3.41 116.57 118.53 1aby h LYS 95 Ca 0.02 -0.21 -0.27 0.00 -2.81 0.00 0.00 60.65 57.38 1aby h LYS 95 Cb 0.48 0.08 -0.04 0.00 -1.00 0.00 0.00 32.23 31.75 1aby h LYS 95 CO 0.01 1.10 -1.55 -0.07 -2.81 0.00 0.00 179.45 176.13 1aby h LEU 96 N -0.69 0.00 -1.27 5.20 3.38 -1.31 -3.50 115.31 117.12 1aby h LEU 96 Ca -0.20 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.55 1aby h LEU 96 Cb 1.41 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.25 1aby h LEU 96 CO -0.01 0.96 -0.44 1.41 0.09 0.00 0.00 178.44 180.46 1aby n HIS 97 N -3.09 -1.59 -3.30 1.13 8.25 -0.38 -5.00 115.22 111.24 1aby n HIS 97 Ca -0.13 0.60 -0.39 0.00 -0.26 0.00 0.00 57.72 57.54 1aby n HIS 97 Cb 1.01 -3.65 -0.07 0.00 1.12 0.00 0.00 29.99 28.40 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 -3.21 5.15 0.09 1.59 1.01 -0.84 -5.03 120.40 119.16 1aby s VAL 98 Ca 0.21 0.86 -0.31 0.00 0.00 0.00 0.00 61.98 62.74 1aby s VAL 98 Cb -0.09 -3.80 -0.08 0.00 0.00 0.00 0.00 36.38 32.41 1aby s VAL 98 CO 0.45 0.21 1.49 -0.62 0.00 0.00 0.00 175.10 176.63 1aby s ASP 99 N 1.08 6.72 0.00 3.32 -1.08 -1.26 -4.79 116.67 120.67 1aby s ASP 99 Ca 0.22 2.39 0.01 0.00 -0.52 0.00 0.00 52.55 54.65 1aby s ASP 99 Cb -0.15 -2.58 0.06 0.00 -1.46 0.00 0.00 42.92 38.79 1aby s ASP 99 CO 0.09 -0.76 0.99 -2.65 0.52 0.00 0.00 175.17 173.37 1aby n PRO 100 N 4.61 0.00 0.19 4.34 -0.02 -1.26 -1.95 135.00 140.91 1aby n PRO 100 Ca 0.13 0.43 0.14 0.00 -2.02 0.00 0.00 63.50 62.18 1aby n PRO 100 Cb 0.41 -1.50 0.48 0.00 -0.02 0.00 0.00 33.50 32.88 1aby n PRO 100 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1aby h GLU 101 N 0.00 0.00 0.00 -0.52 4.39 -1.99 -2.57 114.58 113.89 1aby h GLU 101 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1aby h GLU 101 Cb 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1aby h GLU 101 CO 0.00 0.00 -0.27 0.09 -1.16 0.00 0.00 179.01 177.67 1aby n ASN 102 N -2.65 0.74 -0.21 1.42 3.02 -0.82 -3.73 115.26 113.02 1aby n ASN 102 Ca 0.03 0.37 -0.08 0.00 -0.03 0.00 0.00 54.58 54.86 1aby n ASN 102 Cb 0.34 -0.37 0.03 0.00 -0.61 0.00 0.00 39.78 39.17 1aby n ASN 102 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1aby h PHE 103 N 0.00 1.04 0.00 3.10 0.04 -1.63 -2.70 116.94 116.79 1aby h PHE 103 Ca 0.00 -0.13 -0.01 0.00 2.80 0.00 0.00 57.97 60.62 1aby h PHE 103 Cb 0.73 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 38.59 1aby h PHE 103 CO 0.00 0.89 -0.07 0.07 -0.60 0.00 0.00 178.31 178.60 1aby h ARG 104 N 0.89 0.00 -0.72 1.51 0.11 -1.73 -2.00 114.38 112.45 1aby h ARG 104 Ca 0.19 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.20 1aby h ARG 104 Cb 0.39 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.44 1aby h ARG 104 CO 0.01 0.07 0.17 -0.07 0.10 0.00 0.00 179.97 180.25 1aby h LEU 105 N 0.00 1.09 -0.43 0.08 3.38 -1.66 -1.82 115.31 115.95 1aby h LEU 105 Ca -0.00 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 1aby h LEU 105 Cb 0.16 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1aby h LEU 105 CO 0.01 1.04 -0.13 0.25 0.09 0.00 0.00 178.44 179.70 1aby h LEU 106 N 1.09 0.86 -0.91 1.67 5.85 -1.40 -2.80 115.31 119.67 1aby h LEU 106 Ca 0.22 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1aby h LEU 106 Cb 0.38 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1aby h LEU 106 CO 0.00 1.04 0.59 1.23 -0.34 0.00 0.00 178.44 180.96 1aby h GLY 107 N 0.67 1.29 0.87 3.75 0.00 -1.36 -1.93 103.07 106.37 1aby h GLY 107 Ca 0.10 -0.49 0.03 0.00 0.00 0.00 0.00 47.33 46.97 1aby h GLY 107 CO 0.05 0.48 0.43 0.50 0.00 0.00 0.00 176.54 178.00 1aby h LYS 108 N 1.24 0.82 0.00 4.80 1.57 -1.22 -1.92 116.57 121.86 1aby h LYS 108 Ca 0.33 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.97 1aby h LYS 108 Cb -0.12 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 31.99 1aby h LYS 108 CO -0.07 0.55 -0.45 0.28 -0.57 0.00 0.00 179.45 179.18 1aby h VAL 109 N 0.85 1.18 -0.21 0.50 2.07 -1.17 -2.70 116.25 116.77 1aby h VAL 109 Ca 0.28 -1.63 -0.10 0.00 0.82 0.00 0.00 66.70 66.07 1aby h VAL 109 Cb 0.02 1.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1aby h VAL 109 CO -0.11 0.44 -0.25 0.25 0.02 0.00 0.00 177.57 177.92 1aby h LEU 110 N 0.00 0.59 -0.76 2.57 5.85 -0.74 -1.55 115.31 121.28 1aby h LEU 110 Ca -0.00 -0.50 -0.03 0.00 0.84 0.00 0.00 57.88 58.19 1aby h LEU 110 Cb 0.88 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1aby h LEU 110 CO 0.06 0.97 0.34 0.58 -0.34 0.00 0.00 178.44 180.05 1aby h VAL 111 N 0.22 1.25 -0.50 1.05 2.07 -1.26 -0.67 116.25 118.41 1aby h VAL 111 Ca 0.03 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 1aby h VAL 111 Cb 0.82 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1aby h VAL 111 CO 0.06 0.30 0.02 0.00 0.02 0.00 0.00 177.57 177.97 1aby h VAL 113 N 0.78 1.29 -0.65 0.00 2.07 -0.79 -0.96 116.25 118.00 1aby h VAL 113 Ca 0.15 -1.27 -0.05 0.00 0.82 0.00 0.00 66.70 66.35 1aby h VAL 113 Cb 0.44 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1aby h VAL 113 CO 0.02 0.41 0.20 -0.07 0.02 0.00 0.00 177.57 178.14 1aby h LEU 114 N 0.41 0.92 -0.50 2.57 3.38 -1.00 -0.62 115.31 120.47 1aby h LEU 114 Ca 0.07 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 1aby h LEU 114 Cb 0.69 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1aby h LEU 114 CO 0.05 0.87 -0.15 0.00 0.09 0.00 0.00 178.44 179.29 1aby h ALA 115 N 1.25 0.70 -0.29 1.53 0.00 -1.19 0.19 119.26 121.46 1aby h ALA 115 Ca 0.21 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1aby h ALA 115 Cb 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1aby h ALA 115 CO -0.01 0.64 0.10 1.25 0.00 0.00 0.00 179.25 181.23 1aby h HIS 116 N 0.85 0.46 -0.16 0.00 -0.00 -0.75 0.55 115.15 116.10 1aby h HIS 116 Ca 0.12 -0.04 -0.10 0.00 -0.00 0.00 0.00 60.37 60.36 1aby h HIS 116 Cb 0.73 -0.13 -0.00 0.00 -0.00 0.00 0.00 27.41 28.00 1aby h HIS 116 CO 0.05 0.47 -0.27 1.25 -0.00 0.00 0.00 177.93 179.43 1aby h HIS 117 N 0.31 0.58 0.00 5.26 6.17 -0.98 -3.32 115.15 123.17 1aby h HIS 117 Ca 0.10 -0.20 -0.07 0.00 0.71 0.00 0.00 60.37 60.90 1aby h HIS 117 Cb 0.22 -0.11 -0.01 0.00 2.52 0.00 0.00 27.41 30.03 1aby h HIS 117 CO 0.00 0.90 -0.59 0.74 0.71 0.00 0.00 177.93 179.70 1aby h PHE 118 N 0.09 0.00 0.00 5.26 0.04 -0.65 -3.49 116.94 118.20 1aby h PHE 118 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1aby h PHE 118 Cb 0.85 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.00 1aby h PHE 118 CO 0.09 0.32 0.00 0.41 -0.60 0.00 0.00 178.31 178.53 1aby n GLY 119 N 1.21 3.49 0.33 -1.45 0.00 0.19 -1.90 105.19 107.07 1aby n GLY 119 Ca 0.00 0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.28 1aby n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1aby h LYS 120 N 0.00 0.72 -0.08 1.61 2.10 -1.94 -1.70 116.57 117.29 1aby h LYS 120 Ca 0.00 -0.04 0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1aby h LYS 120 Cb 0.00 -0.16 -0.00 0.00 -0.90 0.00 0.00 32.23 31.16 1aby h LYS 120 CO 0.00 0.48 0.09 0.93 -2.00 0.00 0.00 179.45 178.95 1aby h GLU 121 N 0.75 0.00 -3.55 0.07 5.08 -1.77 -3.27 114.58 111.88 1aby h GLU 121 Ca 0.51 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 58.15 1aby h GLU 121 Cb 0.69 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.88 1aby h GLU 121 CO -0.35 0.00 2.92 0.34 -1.00 0.00 0.00 179.01 180.92 1aby n PHE 122 N -3.83 3.08 -0.96 4.33 7.35 -0.64 -4.94 117.46 121.85 1aby n PHE 122 Ca -0.01 -2.94 -0.30 0.00 -0.76 0.00 0.00 57.45 53.45 1aby n PHE 122 Cb 0.19 -2.32 0.17 0.00 0.35 0.00 0.00 39.48 37.87 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 1.86 2.39 0.17 -2.13 -4.23 -1.24 -4.69 115.64 107.78 1aby s THR 123 Ca 0.50 0.13 -0.15 0.00 -1.18 0.00 0.00 61.69 60.98 1aby s THR 123 Cb 0.14 -2.43 0.08 0.00 1.34 0.00 0.00 72.50 71.62 1aby s THR 123 CO -0.06 -0.17 1.71 -0.65 -0.54 0.00 0.00 174.62 174.91 1aby h PRO 124 N -1.87 0.14 -0.91 3.99 0.11 -1.93 0.24 132.00 131.77 1aby h PRO 124 Ca -0.51 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1aby h PRO 124 Cb 1.29 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 1aby h PRO 124 CO 0.51 0.09 0.54 -1.35 -0.21 0.00 0.00 178.00 177.59 1aby h PRO 125 N 0.14 1.24 0.00 1.05 0.11 -1.99 0.34 132.00 132.89 1aby h PRO 125 Ca 0.21 -0.11 -0.08 0.00 0.11 0.00 0.00 66.00 66.12 1aby h PRO 125 Cb 0.28 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 1aby h PRO 125 CO -0.32 0.87 -0.40 0.28 -0.21 0.00 0.00 178.00 178.22 1aby h VAL 126 N 1.26 1.24 -0.21 3.15 2.07 -1.68 -2.02 116.25 120.06 1aby h VAL 126 Ca 0.33 -1.41 -0.21 0.00 0.82 0.00 0.00 66.70 66.23 1aby h VAL 126 Cb -0.05 1.77 0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1aby h VAL 126 CO -0.06 0.40 -0.68 -0.61 0.02 0.00 0.00 177.57 176.64 1aby h GLN 127 N 0.00 0.81 -0.84 1.57 4.15 0.78 -2.94 115.11 118.64 1aby h GLN 127 Ca -0.00 -0.59 -0.03 0.00 0.77 0.00 0.00 58.65 58.79 1aby h GLN 127 Cb 0.74 0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.49 1aby h GLN 127 CO 0.05 1.21 0.41 0.00 -1.93 0.00 0.00 178.83 178.57 1aby h ALA 128 N 0.64 1.08 0.28 3.38 0.00 -0.66 0.17 119.26 124.15 1aby h ALA 128 Ca -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1aby h ALA 128 Cb 1.29 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1aby h ALA 128 CO 0.14 0.64 -0.17 0.00 0.00 0.00 0.00 179.25 179.87 1aby h ALA 129 N 1.22 -0.42 -0.33 0.00 0.00 -1.40 -2.43 119.26 115.90 1aby h ALA 129 Ca 0.29 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1aby h ALA 129 Cb 0.11 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1aby h ALA 129 CO -0.04 -0.74 0.22 1.88 0.00 0.00 0.00 179.25 180.57 1aby h TYR 130 N -0.43 0.36 -0.20 0.00 0.05 -1.29 -0.20 116.97 115.27 1aby h TYR 130 Ca -0.03 0.01 -0.07 0.00 0.05 0.00 0.00 58.73 58.69 1aby h TYR 130 Cb 0.35 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 1aby h TYR 130 CO -0.08 0.22 -0.17 1.96 -1.05 0.00 0.00 178.16 179.03 1aby h GLN 131 N 0.38 0.35 -0.28 4.88 1.08 -0.29 -2.00 115.11 119.23 1aby h GLN 131 Ca 0.13 -0.10 -0.07 0.00 -1.45 0.00 0.00 58.65 57.15 1aby h GLN 131 Cb 0.05 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 1aby h GLN 131 CO -0.03 0.52 -0.12 0.87 -0.95 0.00 0.00 178.83 179.12 1aby h LYS 132 N 0.32 0.57 0.47 1.46 1.57 -0.58 -2.62 116.57 117.76 1aby h LYS 132 Ca 0.06 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 1aby h LYS 132 Cb 0.50 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1aby h LYS 132 CO 0.03 0.80 -0.38 0.28 -0.57 0.00 0.00 179.45 179.62 1aby h VAL 133 N 0.32 0.00 -0.02 0.50 2.07 -0.96 -1.67 116.25 116.47 1aby h VAL 133 Ca 0.06 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.59 1aby h VAL 133 Cb 0.62 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1aby h VAL 133 CO 0.04 0.00 0.03 -0.37 0.02 0.00 0.00 177.57 177.29 1aby h VAL 134 N -0.82 0.47 0.00 2.57 -1.51 -1.46 0.05 116.25 115.55 1aby h VAL 134 Ca -0.06 0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 65.30 1aby h VAL 134 Cb 0.69 0.97 -0.02 0.00 -2.13 0.00 0.00 31.29 30.80 1aby h VAL 134 CO 0.01 0.00 -0.51 0.00 -1.23 0.00 0.00 177.57 175.84 1aby h ALA 135 N 1.96 0.71 0.05 5.19 0.00 -1.24 -2.43 119.26 123.51 1aby h ALA 135 Ca 0.01 -0.47 -0.14 0.00 0.00 0.00 0.00 54.91 54.31 1aby h ALA 135 Cb 0.07 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1aby h ALA 135 CO -0.00 0.64 -0.59 0.78 0.00 0.00 0.00 179.25 180.08 1aby h GLY 136 N 3.19 0.35 1.00 0.00 0.00 -0.08 -2.90 103.07 104.63 1aby h GLY 136 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 47.33 46.62 1aby h GLY 136 CO 0.07 0.62 0.31 -2.08 0.00 0.00 0.00 176.54 175.46 1aby h VAL 137 N -0.31 1.12 0.00 4.60 2.07 -1.24 -0.70 116.25 121.79 1aby h VAL 137 Ca -0.09 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 1aby h VAL 137 Cb 1.37 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1aby h VAL 137 CO 0.11 0.12 -0.30 0.00 0.02 0.00 0.00 177.57 177.52 1aby h ALA 138 N 1.17 1.30 0.06 1.67 0.00 -1.55 -1.66 119.26 120.26 1aby h ALA 138 Ca 0.17 -0.27 -0.25 0.00 0.00 0.00 0.00 54.91 54.56 1aby h ALA 138 Cb -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1aby h ALA 138 CO -0.04 0.38 -1.08 -0.91 0.00 0.00 0.00 179.25 177.60 1aby h ASN 139 N 0.00 0.50 -0.12 0.00 2.35 -1.15 -2.78 115.58 114.38 1aby h ASN 139 Ca -0.00 -0.46 -0.23 0.00 -0.55 0.00 0.00 56.30 55.06 1aby h ASN 139 Cb 0.61 -0.16 0.01 0.00 0.05 0.00 0.00 38.32 38.83 1aby h ASN 139 CO 0.04 1.29 -0.81 0.00 -1.65 0.00 0.00 177.43 176.30 1aby h ALA 140 N 0.66 0.26 0.00 -0.83 0.00 -1.02 -3.12 119.26 115.21 1aby h ALA 140 Ca -0.11 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1aby h ALA 140 Cb 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1aby h ALA 140 CO 0.18 0.66 0.00 1.25 0.00 0.00 0.00 179.25 181.35 1aby h LEU 141 N 0.49 0.00 -3.46 0.00 5.85 -1.37 -2.58 115.31 114.25 1aby h LEU 141 Ca -0.07 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1aby h LEU 141 Cb 1.45 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.48 1aby h LEU 141 CO 0.17 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.27 1aby n ALA 142 N -1.91 3.56 -0.02 1.25 0.00 -1.05 -4.30 120.51 118.03 1aby n ALA 142 Ca 0.01 -2.08 -0.07 0.00 0.00 0.00 0.00 53.44 51.30 1aby n ALA 142 Cb 0.24 -0.97 -0.13 0.00 0.00 0.00 0.00 19.45 18.59 1aby n ALA 142 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1aby n HIS 143 N 0.19 0.83 -0.07 0.00 -0.00 -0.97 -4.15 115.22 111.05 1aby n HIS 143 Ca 0.25 0.30 0.06 0.00 -0.00 0.00 0.00 57.72 58.33 1aby n HIS 143 Cb 1.09 -1.13 0.26 0.00 -0.00 0.00 0.00 29.99 30.21 1aby n HIS 143 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1aby n LYS 144 N -2.96 3.13 -2.73 1.57 4.01 -1.26 -4.90 118.16 115.02 1aby n LYS 144 Ca -0.18 -2.09 -0.41 0.00 -0.51 0.00 0.00 58.31 55.12 1aby n LYS 144 Cb 1.03 -1.79 -0.05 0.00 -0.51 0.00 0.00 35.03 33.71 1aby n LYS 144 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1aby s TYR 145 N -1.86 3.88 0.00 2.13 1.51 -1.26 -4.65 117.35 117.10 1aby s TYR 145 Ca 0.37 1.85 0.00 0.00 -1.01 0.00 0.00 57.07 58.28 1aby s TYR 145 Cb 0.25 -3.03 0.00 0.00 -0.11 0.00 0.00 41.96 39.07 1aby s TYR 145 CO 0.16 0.28 0.00 -2.39 -1.11 0.00 0.00 175.55 172.50