#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o1n s HIS 2 N 0.00 3.21 0.25 1.12 5.04 -1.26 -4.26 115.29 119.38 1o1n s HIS 2 Ca 0.00 0.22 0.09 0.00 -1.54 0.00 0.00 55.06 53.83 1o1n s HIS 2 Cb 0.00 -2.76 -0.05 0.00 0.04 0.00 0.00 32.58 29.81 1o1n s HIS 2 CO 0.00 -0.42 -0.15 -0.51 -2.34 0.00 0.00 174.74 171.32 1o1n s LEU 3 N 2.21 2.57 0.61 8.88 1.43 -1.26 -5.10 118.68 128.02 1o1n s LEU 3 Ca 0.16 -1.05 -0.10 0.00 -1.03 0.00 0.00 54.13 52.11 1o1n s LEU 3 Cb -0.16 -0.84 -0.03 0.00 0.03 0.00 0.00 46.19 45.20 1o1n s LEU 3 CO 0.12 -0.12 0.99 0.42 0.23 0.00 0.00 176.35 177.99 1o1n s THR 4 N -2.79 4.47 0.32 5.49 -4.23 -1.26 -4.86 115.64 112.77 1o1n s THR 4 Ca 0.26 0.64 0.05 0.00 -1.18 0.00 0.00 61.69 61.46 1o1n s THR 4 Cb -0.02 -3.78 0.30 0.00 1.34 0.00 0.00 72.50 70.35 1o1n s THR 4 CO 0.11 -0.97 1.87 -0.65 -0.54 0.00 0.00 174.62 174.44 1o1n h PRO 5 N -0.28 0.83 -0.02 3.99 0.11 -2.01 -0.59 132.00 134.04 1o1n h PRO 5 Ca -0.45 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1o1n h PRO 5 Cb 1.21 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1o1n h PRO 5 CO 0.62 0.55 0.01 1.05 -0.21 0.00 0.00 178.00 180.03 1o1n h GLU 6 N 0.86 0.03 -0.69 1.05 9.09 -1.99 -1.17 114.58 121.75 1o1n h GLU 6 Ca 0.44 -0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.85 1o1n h GLU 6 Cb 0.51 -0.01 -0.03 0.00 -1.65 0.00 0.00 28.75 27.57 1o1n h GLU 6 CO -0.20 0.08 0.43 0.93 0.05 0.00 0.00 179.01 180.29 1o1n h GLU 7 N -0.03 0.94 -0.64 1.06 5.08 -1.73 -1.13 114.58 118.12 1o1n h GLU 7 Ca 0.01 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1o1n h GLU 7 Cb 0.06 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 1o1n h GLU 7 CO -0.00 0.66 0.24 0.87 -1.00 0.00 0.00 179.01 179.78 1o1n h LYS 8 N 0.94 0.97 -0.64 2.33 1.57 -0.95 -2.01 116.57 118.78 1o1n h LYS 8 Ca 0.25 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1o1n h LYS 8 Cb -0.05 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 1o1n h LYS 8 CO -0.05 0.83 0.23 1.03 -0.57 0.00 0.00 179.45 180.93 1o1n h SER 9 N 0.91 0.90 -0.43 0.86 0.87 -0.69 -1.39 113.55 114.59 1o1n h SER 9 Ca 0.21 -0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.55 1o1n h SER 9 Cb 0.23 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1o1n h SER 9 CO -0.01 0.84 0.14 0.00 -0.53 0.00 0.00 176.83 177.27 1o1n h ALA 10 N 1.09 1.34 0.11 6.23 0.00 -1.03 0.18 119.26 127.18 1o1n h ALA 10 Ca 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1o1n h ALA 10 Cb 0.24 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1o1n h ALA 10 CO -0.01 0.48 -0.05 0.28 0.00 0.00 0.00 179.25 179.94 1o1n h VAL 11 N 0.71 1.07 -0.45 0.00 2.07 -0.89 -2.96 116.25 115.79 1o1n h VAL 11 Ca 0.16 -0.73 -0.12 0.00 0.82 0.00 0.00 66.70 66.84 1o1n h VAL 11 Cb 0.22 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1o1n h VAL 11 CO -0.01 0.18 -0.18 0.71 0.02 0.00 0.00 177.57 178.29 1o1n h THR 12 N -0.49 1.27 -0.36 2.57 1.35 -1.09 -2.37 112.91 113.78 1o1n h THR 12 Ca -0.02 -1.31 0.03 0.00 -0.55 0.00 0.00 66.41 64.56 1o1n h THR 12 Cb 0.40 1.11 -0.03 0.00 -1.73 0.00 0.00 68.15 67.90 1o1n h THR 12 CO 0.02 0.45 0.18 0.00 -0.25 0.00 0.00 175.52 175.92 1o1n h ALA 13 N 1.01 0.44 -0.28 6.62 0.00 -0.66 -2.18 119.26 124.21 1o1n h ALA 13 Ca 0.11 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1o1n h ALA 13 Cb 0.72 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1o1n h ALA 13 CO 0.06 -0.19 -0.32 1.25 0.00 0.00 0.00 179.25 180.04 1o1n h LEU 14 N 0.37 0.61 -1.55 0.00 5.85 -1.49 -3.12 115.31 115.98 1o1n h LEU 14 Ca 0.15 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 1o1n h LEU 14 Cb 0.06 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1o1n h LEU 14 CO -0.11 0.89 -0.20 -0.25 -0.34 0.00 0.00 178.44 178.43 1o1n h TRP 15 N 0.51 0.00 0.00 1.25 2.91 -0.86 -0.10 115.95 119.65 1o1n h TRP 15 Ca 0.06 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.08 1o1n h TRP 15 Cb 0.80 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.45 1o1n h TRP 15 CO 0.03 0.20 0.00 0.78 -1.03 0.00 0.00 178.44 178.43 1o1n h GLY 16 N 1.27 0.00 -2.04 2.65 0.00 -1.35 -2.03 103.07 101.57 1o1n h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1o1n h GLY 16 CO 0.03 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.85 1o1n n LYS 17 N -3.03 2.36 -3.29 4.80 5.02 -0.05 -4.93 118.16 119.04 1o1n n LYS 17 Ca -0.02 -2.06 -0.38 0.00 -2.02 0.00 0.00 58.31 53.82 1o1n n LYS 17 Cb 0.12 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.58 1o1n n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1o1n s VAL 18 N -1.52 5.17 -0.65 -0.18 1.01 -0.76 -5.01 120.40 118.46 1o1n s VAL 18 Ca 0.38 0.97 -0.27 0.00 0.00 0.00 0.00 61.98 63.06 1o1n s VAL 18 Cb 0.22 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.80 1o1n s VAL 18 CO 0.30 0.30 1.18 0.21 0.00 0.00 0.00 175.10 177.09 1o1n s ASN 19 N 0.72 6.30 0.21 3.32 3.84 -1.26 -4.91 114.94 123.16 1o1n s ASN 19 Ca 0.26 -0.24 -0.10 0.00 0.21 0.00 0.00 52.86 53.00 1o1n s ASN 19 Cb -0.15 -2.53 0.15 0.00 -0.55 0.00 0.00 41.25 38.16 1o1n s ASN 19 CO 0.10 -1.59 1.83 0.58 -2.79 0.00 0.00 177.10 175.23 1o1n h VAL 20 N 6.08 1.23 -0.32 -5.21 2.07 -1.95 -0.44 116.25 117.71 1o1n h VAL 20 Ca -0.27 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 1o1n h VAL 20 Cb 1.06 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1o1n h VAL 20 CO 1.21 0.25 0.13 0.44 0.02 0.00 0.00 177.57 179.62 1o1n h ASP 21 N 1.04 0.44 -0.02 0.57 5.19 -1.91 0.53 116.42 122.28 1o1n h ASP 21 Ca 0.27 -0.17 -0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1o1n h ASP 21 Cb 0.02 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.42 1o1n h ASP 21 CO -0.04 0.49 0.01 -0.08 -3.12 0.00 0.00 179.24 176.50 1o1n h GLU 22 N 0.37 0.02 -0.13 3.56 4.22 -1.91 -1.64 114.58 119.07 1o1n h GLU 22 Ca 0.11 -0.00 -0.14 0.00 0.08 0.00 0.00 59.36 59.41 1o1n h GLU 22 Cb 0.19 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1o1n h GLU 22 CO -0.01 0.04 -0.52 0.28 -2.18 0.00 0.00 179.01 176.63 1o1n h VAL 23 N -0.01 1.34 -0.50 0.32 2.07 -0.93 -0.87 116.25 117.66 1o1n h VAL 23 Ca 0.01 -1.77 -0.04 0.00 0.82 0.00 0.00 66.70 65.72 1o1n h VAL 23 Cb 0.03 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1o1n h VAL 23 CO -0.00 0.54 0.16 1.23 0.02 0.00 0.00 177.57 179.52 1o1n h GLY 24 N 1.25 0.84 1.02 2.17 0.00 -0.83 0.77 103.07 108.28 1o1n h GLY 24 Ca 0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1o1n h GLY 24 CO 0.09 0.46 0.53 -1.33 0.00 0.00 0.00 176.54 176.29 1o1n h GLY 25 N 0.68 1.28 0.85 4.60 0.00 -0.95 -1.44 103.07 108.10 1o1n h GLY 25 Ca 0.16 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 1o1n h GLY 25 CO -0.01 0.52 0.05 -2.09 0.00 0.00 0.00 176.54 175.01 1o1n h GLU 26 N 1.21 0.28 -0.19 4.80 4.57 -0.86 -1.83 114.58 122.56 1o1n h GLU 26 Ca 0.31 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.36 1o1n h GLU 26 Cb -0.05 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.50 1o1n h GLU 26 CO -0.06 0.41 -0.17 0.00 -1.18 0.00 0.00 179.01 178.01 1o1n h ALA 27 N 0.86 0.28 -0.65 2.92 0.00 -0.70 -0.54 119.26 121.42 1o1n h ALA 27 Ca 0.06 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1o1n h ALA 27 Cb 0.25 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1o1n h ALA 27 CO -0.00 0.18 0.09 1.25 0.00 0.00 0.00 179.25 180.78 1o1n h LEU 28 N 0.12 1.05 -0.47 0.00 5.85 -1.33 -1.50 115.31 119.02 1o1n h LEU 28 Ca 0.03 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 1o1n h LEU 28 Cb 0.70 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1o1n h LEU 28 CO 0.04 1.05 0.18 1.23 -0.34 0.00 0.00 178.44 180.61 1o1n h GLY 29 N 1.00 0.76 1.57 3.75 0.00 -1.19 -2.21 103.07 106.75 1o1n h GLY 29 Ca 0.20 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 1o1n h GLY 29 CO 0.02 0.39 -0.07 3.21 0.00 0.00 0.00 176.54 180.09 1o1n h ARG 30 N 0.62 0.53 -0.40 4.80 3.08 -1.00 -1.30 114.38 120.71 1o1n h ARG 30 Ca 0.16 -0.13 0.03 0.00 0.07 0.00 0.00 59.98 60.11 1o1n h ARG 30 Cb 0.20 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1o1n h ARG 30 CO -0.01 0.60 0.20 1.25 -1.07 0.00 0.00 179.97 180.94 1o1n h LEU 31 N 0.49 0.28 -1.21 3.04 5.85 -0.97 0.43 115.31 123.24 1o1n h LEU 31 Ca 0.10 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 1o1n h LEU 31 Cb 0.42 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1o1n h LEU 31 CO 0.02 0.21 -0.33 -0.07 -0.34 0.00 0.00 178.44 177.93 1o1n h LEU 32 N 0.40 0.00 0.18 2.25 3.38 -0.91 -1.17 115.31 119.44 1o1n h LEU 32 Ca 0.17 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.85 1o1n h LEU 32 Cb 0.09 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.85 1o1n h LEU 32 CO -0.13 0.33 -1.35 0.58 0.09 0.00 0.00 178.44 177.96 1o1n h VAL 33 N 0.00 1.21 0.07 1.22 2.07 -0.82 -3.26 116.25 116.74 1o1n h VAL 33 Ca -0.00 -2.55 -0.25 0.00 0.82 0.00 0.00 66.70 64.71 1o1n h VAL 33 Cb 0.73 2.95 -0.02 0.00 -1.52 0.00 0.00 31.29 33.44 1o1n h VAL 33 CO 0.04 0.77 -1.23 0.58 0.02 0.00 0.00 177.57 177.76 1o1n h VAL 34 N -0.10 1.48 -2.49 2.57 2.07 -0.07 -3.38 116.25 116.34 1o1n h VAL 34 Ca -0.26 -3.14 -0.60 0.00 0.82 0.00 0.00 66.70 63.52 1o1n h VAL 34 Cb 1.93 2.84 -0.41 0.00 -1.52 0.00 0.00 31.29 34.13 1o1n h VAL 34 CO 0.17 0.89 -0.74 -1.22 0.02 0.00 0.00 177.57 176.69 1o1n n TYR 35 N -3.41 2.04 0.27 1.57 4.01 -0.45 -4.99 117.16 116.20 1o1n n TYR 35 Ca -0.07 -3.96 0.15 0.00 -0.16 0.00 0.00 57.90 53.86 1o1n n TYR 35 Cb 1.00 -0.40 0.75 0.00 -0.31 0.00 0.00 39.34 40.38 1o1n n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1o1n h PRO 36 N 4.81 0.00 0.00 -0.72 0.11 -1.74 -1.04 132.00 133.42 1o1n h PRO 36 Ca 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 1o1n h PRO 36 Cb 0.77 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 1o1n h PRO 36 CO 0.65 0.00 -0.01 0.11 -0.21 0.00 0.00 178.00 178.55 1o1n h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.91 0.01 115.95 114.79 1o1n h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1o1n h TRP 37 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.38 1o1n h TRP 37 CO 0.00 0.01 0.00 0.25 0.09 0.00 0.00 178.44 178.79 1o1n n THR 38 N -3.12 0.93 0.30 0.12 -2.24 -0.39 -2.26 114.28 107.62 1o1n n THR 38 Ca -0.01 0.23 0.16 0.00 -2.27 0.00 0.00 64.05 62.16 1o1n n THR 38 Cb 0.19 -1.00 0.78 0.00 -2.10 0.00 0.00 70.33 68.20 1o1n n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1o1n h GLN 39 N 0.00 0.00 -0.13 -0.78 4.20 -1.19 -3.19 115.11 114.01 1o1n h GLN 39 Ca 0.00 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1o1n h GLN 39 Cb 0.28 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1o1n h GLN 39 CO 0.00 0.00 0.36 0.07 -0.67 0.00 0.00 178.83 178.59 1o1n h ARG 40 N 0.00 0.00 0.00 1.46 0.11 -1.66 0.20 114.38 114.49 1o1n h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1o1n h ARG 40 Cb 0.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.30 1o1n h ARG 40 CO 0.00 0.00 -0.49 1.19 0.10 0.00 0.00 179.97 180.77 1o1n n PHE 41 N -3.18 0.35 -1.56 4.08 3.72 -1.21 -4.45 117.46 115.22 1o1n n PHE 41 Ca 0.01 0.10 0.07 0.00 -0.05 0.00 0.00 57.45 57.58 1o1n n PHE 41 Cb 0.45 -0.53 0.15 0.00 -0.94 0.00 0.00 39.48 38.61 1o1n n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1o1n n PHE 42 N -1.87 0.00 0.31 1.38 3.72 0.06 -4.72 117.46 116.33 1o1n n PHE 42 Ca 0.04 -1.08 0.20 0.00 -0.05 0.00 0.00 57.45 56.56 1o1n n PHE 42 Cb 0.40 -0.19 1.05 0.00 -0.94 0.00 0.00 39.48 39.80 1o1n n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1o1n h GLU 43 N 0.57 0.00 -0.12 -1.08 4.39 -1.78 -0.20 114.58 116.36 1o1n h GLU 43 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1o1n h GLU 43 Cb 1.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1o1n h GLU 43 CO 0.01 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.73 1o1n n SER 44 N -2.92 1.08 0.04 1.42 3.41 -1.26 -3.85 113.62 111.54 1o1n n SER 44 Ca -0.02 -1.66 0.12 0.00 -0.26 0.00 0.00 58.87 57.05 1o1n n SER 44 Cb 0.09 -0.08 0.22 0.00 -0.26 0.00 0.00 64.21 64.18 1o1n n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1o1n n PHE 45 N -0.05 0.40 0.00 7.33 3.01 -0.09 -5.05 117.46 123.01 1o1n n PHE 45 Ca 0.14 0.12 0.00 0.00 1.01 0.00 0.00 57.45 58.72 1o1n n PHE 45 Cb 0.23 -0.55 0.00 0.00 -0.01 0.00 0.00 39.48 39.14 1o1n n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1o1n n GLY 46 N 1.38 0.76 3.64 1.37 0.00 -1.25 -4.66 105.19 106.44 1o1n n GLY 46 Ca 0.04 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 1o1n n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1o1n s ASP 47 N -4.00 6.86 -0.11 1.61 2.15 -1.26 -4.88 116.67 117.04 1o1n s ASP 47 Ca 0.00 1.26 0.14 0.00 0.43 0.00 0.00 52.55 54.39 1o1n s ASP 47 Cb 0.00 -2.54 0.31 0.00 -0.30 0.00 0.00 42.92 40.39 1o1n s ASP 47 CO 0.00 -0.90 1.15 0.18 -0.17 0.00 0.00 175.17 175.43 1o1n n LEU 48 N 7.02 1.82 0.15 -1.34 4.77 -1.26 -4.21 117.00 123.94 1o1n n LEU 48 Ca 0.13 -2.80 0.01 0.00 -0.03 0.00 0.00 56.01 53.32 1o1n n LEU 48 Cb 0.46 -0.31 0.19 0.00 -2.33 0.00 0.00 43.42 41.44 1o1n n LEU 48 CO 0.59 0.82 0.53 0.77 -1.33 0.00 0.00 177.39 178.77 1o1n h SER 49 N 0.52 0.00 -4.47 -1.43 4.64 -1.92 -3.43 113.55 107.46 1o1n h SER 49 Ca -0.04 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.99 1o1n h SER 49 Cb 1.23 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.18 1o1n h SER 49 CO 0.02 0.56 -0.67 0.42 -0.87 0.00 0.00 176.83 176.29 1o1n s THR 50 N -3.50 0.71 0.26 2.95 -4.23 -1.26 -5.03 115.64 105.53 1o1n s THR 50 Ca -0.00 -1.98 -0.03 0.00 -1.18 0.00 0.00 61.69 58.50 1o1n s THR 50 Cb 0.12 -2.10 0.25 0.00 1.34 0.00 0.00 72.50 72.10 1o1n s THR 50 CO 0.74 -0.50 1.85 -0.65 -0.54 0.00 0.00 174.62 175.52 1o1n h PRO 51 N 2.70 0.96 -0.45 3.99 0.11 -1.98 -0.74 132.00 136.60 1o1n h PRO 51 Ca -0.37 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.59 1o1n h PRO 51 Cb 1.20 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 1o1n h PRO 51 CO 0.63 0.64 -0.12 -0.44 -0.21 0.00 0.00 178.00 178.49 1o1n h ASP 52 N 0.99 0.82 -0.45 -2.05 3.32 -1.98 0.20 116.42 117.28 1o1n h ASP 52 Ca 0.43 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 1o1n h ASP 52 Cb 0.29 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1o1n h ASP 52 CO -0.21 0.96 0.15 0.00 -1.72 0.00 0.00 179.24 178.42 1o1n h ALA 53 N 1.11 0.59 0.24 3.45 0.00 -1.73 0.32 119.26 123.24 1o1n h ALA 53 Ca 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1o1n h ALA 53 Cb 0.62 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1o1n h ALA 53 CO 0.04 0.23 -0.11 0.28 0.00 0.00 0.00 179.25 179.69 1o1n h VAL 54 N 0.59 0.77 0.00 0.00 2.07 -0.92 -1.64 116.25 117.13 1o1n h VAL 54 Ca 0.15 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 1o1n h VAL 54 Cb 0.25 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1o1n h VAL 54 CO -0.01 0.01 -0.07 0.24 0.02 0.00 0.00 177.57 177.76 1o1n h MET 55 N -0.34 0.00 -0.26 1.57 2.07 -0.39 -1.98 114.93 115.61 1o1n h MET 55 Ca -0.03 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 1o1n h MET 55 Cb 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.99 1o1n h MET 55 CO 0.05 0.07 0.00 0.41 1.07 0.00 0.00 176.91 178.52 1o1n n GLY 56 N -0.89 1.41 3.68 8.32 0.00 0.08 -4.90 105.19 112.89 1o1n n GLY 56 Ca -0.02 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 1o1n n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1o1n s ASN 57 N -1.67 7.05 0.45 1.61 3.84 -0.63 -4.92 114.94 120.67 1o1n s ASN 57 Ca 0.35 1.70 0.15 0.00 0.21 0.00 0.00 52.86 55.27 1o1n s ASN 57 Cb 0.22 -2.55 1.03 0.00 -0.55 0.00 0.00 41.25 39.40 1o1n s ASN 57 CO 0.31 -0.63 2.01 1.55 -2.79 0.00 0.00 177.10 177.55 1o1n h PRO 58 N 7.62 0.00 -0.01 0.43 0.13 -1.90 -1.29 132.00 136.98 1o1n h PRO 58 Ca -0.30 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.59 1o1n h PRO 58 Cb 1.13 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.27 1o1n h PRO 58 CO 0.91 0.17 -0.97 0.87 -0.23 0.00 0.00 178.00 178.75 1o1n h LYS 59 N 0.00 0.56 0.14 0.86 1.79 -1.91 -1.50 116.57 116.51 1o1n h LYS 59 Ca -0.00 -0.58 -0.01 0.00 -2.18 0.00 0.00 60.65 57.88 1o1n h LYS 59 Cb 0.30 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1o1n h LYS 59 CO 0.02 1.20 -0.07 0.28 -1.08 0.00 0.00 179.45 179.81 1o1n h VAL 60 N 0.32 0.87 -0.86 0.50 2.07 -1.75 0.01 116.25 117.41 1o1n h VAL 60 Ca -0.10 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.45 1o1n h VAL 60 Cb 1.60 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 32.20 1o1n h VAL 60 CO 0.18 0.00 0.55 0.11 0.02 0.00 0.00 177.57 178.43 1o1n h LYS 61 N -0.19 1.02 -0.60 1.57 1.57 -1.23 0.43 116.57 119.13 1o1n h LYS 61 Ca -0.02 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 1o1n h LYS 61 Cb 0.15 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1o1n h LYS 61 CO 0.03 0.67 0.14 0.00 -0.57 0.00 0.00 179.45 179.72 1o1n h ALA 62 N 1.37 0.80 -0.67 3.86 0.00 -0.94 -1.08 119.26 122.60 1o1n h ALA 62 Ca 0.35 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1o1n h ALA 62 Cb 0.06 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1o1n h ALA 62 CO -0.13 0.52 0.11 1.25 0.00 0.00 0.00 179.25 180.99 1o1n h HIS 63 N 0.88 1.18 -0.26 0.00 -0.00 -0.48 -2.35 115.15 114.12 1o1n h HIS 63 Ca 0.19 -0.17 -0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1o1n h HIS 63 Cb 0.37 -0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 27.44 1o1n h HIS 63 CO 0.03 0.99 0.15 0.78 -0.00 0.00 0.00 177.93 179.88 1o1n h GLY 64 N 1.03 0.37 0.98 5.26 0.00 -0.46 0.19 103.07 110.45 1o1n h GLY 64 Ca 0.20 -0.15 -0.11 0.00 0.00 0.00 0.00 47.33 47.27 1o1n h GLY 64 CO 0.01 0.14 -0.24 1.70 0.00 0.00 0.00 176.54 178.15 1o1n h LYS 65 N 0.36 0.73 -0.22 4.80 3.64 -0.90 -2.32 116.57 122.65 1o1n h LYS 65 Ca 0.09 -0.36 -0.01 0.00 -1.27 0.00 0.00 60.65 59.10 1o1n h LYS 65 Cb -0.01 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1o1n h LYS 65 CO -0.02 0.97 0.08 -0.22 -2.27 0.00 0.00 179.45 178.00 1o1n h LYS 66 N 0.49 0.34 -0.02 1.90 3.64 -0.72 -1.01 116.57 121.19 1o1n h LYS 66 Ca 0.06 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1o1n h LYS 66 Cb 0.80 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1o1n h LYS 66 CO 0.06 0.40 0.01 0.28 -2.27 0.00 0.00 179.45 177.93 1o1n h VAL 67 N 0.20 1.13 0.00 2.00 2.07 -1.05 -2.73 116.25 117.86 1o1n h VAL 67 Ca 0.07 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 1o1n h VAL 67 Cb 0.20 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1o1n h VAL 67 CO -0.00 0.10 -0.20 0.25 0.02 0.00 0.00 177.57 177.73 1o1n h LEU 68 N -0.13 0.00 -0.84 2.57 5.85 -1.42 -1.75 115.31 119.59 1o1n h LEU 68 Ca 0.01 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 1o1n h LEU 68 Cb 0.16 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1o1n h LEU 68 CO -0.00 0.20 0.04 1.23 -0.34 0.00 0.00 178.44 179.57 1o1n h GLY 69 N 2.93 0.97 1.56 3.75 0.00 -1.09 0.30 103.07 111.48 1o1n h GLY 69 Ca -0.00 -0.65 -0.15 0.00 0.00 0.00 0.00 47.33 46.53 1o1n h GLY 69 CO 0.03 0.60 -0.53 0.00 0.00 0.00 0.00 176.54 176.64 1o1n h ALA 70 N 1.19 0.78 -0.13 3.60 0.00 -1.15 -0.54 119.26 123.02 1o1n h ALA 70 Ca 0.17 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.58 1o1n h ALA 70 Cb 0.45 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1o1n h ALA 70 CO 0.02 0.68 0.07 0.35 0.00 0.00 0.00 179.25 180.37 1o1n h PHE 71 N 0.37 0.13 -0.19 0.00 3.57 -1.09 -1.25 116.94 118.47 1o1n h PHE 71 Ca 0.01 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.57 1o1n h PHE 71 Cb 1.04 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.68 1o1n h PHE 71 CO 0.04 0.08 -0.20 1.03 -2.23 0.00 0.00 178.31 177.03 1o1n h SER 72 N 0.15 -0.62 -0.91 0.41 0.87 -0.13 0.12 113.55 113.43 1o1n h SER 72 Ca 0.05 0.12 0.11 0.00 -1.23 0.00 0.00 61.79 60.83 1o1n h SER 72 Cb -0.00 0.30 -0.07 0.00 -0.44 0.00 0.00 62.40 62.19 1o1n h SER 72 CO -0.03 -0.24 0.59 0.44 -0.53 0.00 0.00 176.83 177.06 1o1n h ASP 73 N -0.22 0.81 0.11 6.23 3.32 -0.96 -1.31 116.42 124.40 1o1n h ASP 73 Ca 0.12 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1o1n h ASP 73 Cb 0.40 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 1o1n h ASP 73 CO -0.32 0.46 -0.09 1.23 -1.72 0.00 0.00 179.24 178.80 1o1n h GLY 74 N 0.89 0.00 2.00 2.75 0.00 0.25 -2.40 103.07 106.56 1o1n h GLY 74 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1o1n h GLY 74 CO -0.19 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.76 1o1n h LEU 75 N 0.00 0.00 -0.35 3.11 3.38 -0.71 -0.50 115.31 120.25 1o1n h LEU 75 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1o1n h LEU 75 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1o1n h LEU 75 CO 0.01 0.00 -0.23 0.00 0.09 0.00 0.00 178.44 178.31 1o1n n ALA 76 N -1.81 3.01 -2.48 1.53 0.00 -0.90 -4.10 120.51 115.75 1o1n n ALA 76 Ca 0.01 -0.35 -0.17 0.00 0.00 0.00 0.00 53.44 52.93 1o1n n ALA 76 Cb 0.18 -1.20 0.02 0.00 0.00 0.00 0.00 19.45 18.44 1o1n n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1o1n n HIS 77 N -0.86 2.28 0.27 0.00 8.25 -0.20 -4.89 115.22 120.07 1o1n n HIS 77 Ca 0.12 -2.64 0.10 0.00 -0.26 0.00 0.00 57.72 55.04 1o1n n HIS 77 Cb 0.33 -0.25 0.71 0.00 1.12 0.00 0.00 29.99 31.90 1o1n n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1o1n h LEU 78 N 2.60 0.00 0.00 2.41 3.38 -1.71 0.80 115.31 122.79 1o1n h LEU 78 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1o1n h LEU 78 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1o1n h LEU 78 CO 0.62 0.05 0.00 0.47 0.09 0.00 0.00 178.44 179.66 1o1n n ASP 79 N -4.18 0.00 -2.82 -0.43 8.00 -1.26 -1.43 116.55 114.43 1o1n n ASP 79 Ca -0.03 -0.06 -0.11 0.00 0.71 0.00 0.00 54.79 55.30 1o1n n ASP 79 Cb 0.13 -0.29 0.05 0.00 -0.02 0.00 0.00 41.12 40.99 1o1n n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1o1n n ASN 80 N -1.29 -0.37 -0.14 -2.24 5.15 0.26 -3.66 115.26 112.97 1o1n n ASN 80 Ca 0.12 -2.94 -0.06 0.00 -0.60 0.00 0.00 54.58 51.10 1o1n n ASN 80 Cb 0.22 0.37 0.11 0.00 -0.53 0.00 0.00 39.78 39.95 1o1n n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1o1n h LEU 81 N 2.75 0.85 -0.15 1.20 3.38 -1.67 -2.39 115.31 119.29 1o1n h LEU 81 Ca -0.09 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 1o1n h LEU 81 Cb 1.14 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1o1n h LEU 81 CO 0.28 0.94 0.08 0.11 0.09 0.00 0.00 178.44 179.94 1o1n h LYS 82 N 0.81 0.21 -0.23 1.13 1.57 -1.90 -2.19 116.57 115.96 1o1n h LYS 82 Ca 0.15 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1o1n h LYS 82 Cb 0.53 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1o1n h LYS 82 CO 0.03 0.21 0.06 0.78 -0.57 0.00 0.00 179.45 179.96 1o1n h GLY 83 N 0.15 0.39 0.55 3.86 0.00 -1.94 -1.58 103.07 104.50 1o1n h GLY 83 Ca 0.05 -0.24 0.15 0.00 0.00 0.00 0.00 47.33 47.30 1o1n h GLY 83 CO -0.01 0.22 0.55 -0.84 0.00 0.00 0.00 176.54 176.47 1o1n h THR 84 N 0.20 0.80 -0.09 4.70 2.02 -1.31 -3.02 112.91 116.22 1o1n h THR 84 Ca 0.07 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1o1n h THR 84 Cb 0.26 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1o1n h THR 84 CO -0.00 0.10 0.00 0.49 0.37 0.00 0.00 175.52 176.48 1o1n n PHE 85 N -4.53 0.11 -0.13 3.16 3.72 -0.83 -4.67 117.46 114.28 1o1n n PHE 85 Ca 0.17 -0.12 -0.05 0.00 -0.05 0.00 0.00 57.45 57.40 1o1n n PHE 85 Cb 0.52 -0.01 0.02 0.00 -0.94 0.00 0.00 39.48 39.07 1o1n n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1o1n h ALA 86 N 2.11 0.15 -0.40 4.37 0.00 -1.15 0.24 119.26 124.58 1o1n h ALA 86 Ca 0.00 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1o1n h ALA 86 Cb 0.52 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1o1n h ALA 86 CO 0.00 -0.54 -0.22 1.15 0.00 0.00 0.00 179.25 179.64 1o1n h THR 87 N -0.10 1.27 -0.34 0.00 2.02 -1.83 -1.81 112.91 112.13 1o1n h THR 87 Ca 0.21 -1.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.03 1o1n h THR 87 Cb 0.42 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 1o1n h THR 87 CO -0.50 0.45 0.13 -0.07 0.37 0.00 0.00 175.52 175.90 1o1n h LEU 88 N 0.70 0.43 -0.06 2.58 3.38 -1.71 -1.94 115.31 118.68 1o1n h LEU 88 Ca 0.10 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1o1n h LEU 88 Cb 0.74 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1o1n h LEU 88 CO 0.06 0.40 0.01 -1.28 0.09 0.00 0.00 178.44 177.72 1o1n h SER 89 N 0.48 0.09 -0.71 -0.43 0.87 0.25 -1.02 113.55 113.08 1o1n h SER 89 Ca 0.12 -0.26 0.02 0.00 -1.23 0.00 0.00 61.79 60.44 1o1n h SER 89 Cb 0.11 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.00 1o1n h SER 89 CO -0.01 0.33 0.46 -0.33 -0.53 0.00 0.00 176.83 176.75 1o1n h GLU 90 N -0.15 0.88 -0.80 2.24 5.08 -1.18 -1.92 114.58 118.73 1o1n h GLU 90 Ca 0.02 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1o1n h GLU 90 Cb 0.28 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 1o1n h GLU 90 CO 0.00 0.58 0.43 1.25 -1.00 0.00 0.00 179.01 180.27 1o1n h LEU 91 N 0.90 1.01 -1.10 1.33 5.85 -1.27 0.84 115.31 122.88 1o1n h LEU 91 Ca 0.28 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 1o1n h LEU 91 Cb -0.02 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 1o1n h LEU 91 CO -0.09 0.83 -0.28 0.45 -0.34 0.00 0.00 178.44 179.01 1o1n h HIS 92 N 1.12 0.00 0.00 1.25 3.86 -0.52 -1.68 115.15 119.18 1o1n h HIS 92 Ca 0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 1o1n h HIS 92 Cb 0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1o1n h HIS 92 CO 0.00 0.28 -0.11 0.00 0.86 0.00 0.00 177.93 178.96 1o1n h ASP 94 N -0.98 0.45 0.00 0.00 5.19 -0.93 -3.13 116.42 117.01 1o1n h ASP 94 Ca 0.00 -0.25 -0.24 0.00 -0.62 0.00 0.00 57.03 55.92 1o1n h ASP 94 Cb 0.11 -0.13 -0.04 0.00 0.18 0.00 0.00 39.33 39.46 1o1n h ASP 94 CO 0.00 0.94 -1.83 0.29 -3.12 0.00 0.00 179.24 175.51 1o1n n LYS 95 N -3.91 0.34 0.04 3.56 4.76 -0.97 -4.74 118.16 117.24 1o1n n LYS 95 Ca -0.03 0.11 0.11 0.00 -2.87 0.00 0.00 58.31 55.64 1o1n n LYS 95 Cb 0.62 -1.16 0.03 0.00 -1.84 0.00 0.00 35.03 32.68 1o1n n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1o1n n LEU 96 N -3.31 0.63 -3.74 -0.35 4.77 -0.67 -4.97 117.00 109.35 1o1n n LEU 96 Ca -0.28 0.08 -0.24 0.00 -0.03 0.00 0.00 56.01 55.54 1o1n n LEU 96 Cb 0.74 -0.10 0.04 0.00 -2.33 0.00 0.00 43.42 41.77 1o1n n LEU 96 CO 0.08 -0.01 0.02 1.41 -1.33 0.00 0.00 177.39 177.56 1o1n n HIS 97 N -2.12 -2.13 -3.44 -1.77 8.25 0.03 -4.94 115.22 109.11 1o1n n HIS 97 Ca 0.01 0.88 -0.40 0.00 -0.26 0.00 0.00 57.72 57.96 1o1n n HIS 97 Cb 0.46 -4.36 -0.10 0.00 1.12 0.00 0.00 29.99 27.12 1o1n n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1o1n s VAL 98 N -3.51 5.20 0.05 1.59 1.01 -0.43 -5.03 120.40 119.29 1o1n s VAL 98 Ca 0.25 0.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.16 1o1n s VAL 98 Cb -0.12 -3.72 -0.09 0.00 0.00 0.00 0.00 36.38 32.44 1o1n s VAL 98 CO 0.81 0.06 1.95 -0.67 0.00 0.00 0.00 175.10 177.25 1o1n n ASP 99 N 5.29 4.16 0.18 3.32 -0.08 -1.26 -4.78 116.55 123.38 1o1n n ASP 99 Ca -0.10 0.92 0.12 0.00 -1.51 0.00 0.00 54.79 54.22 1o1n n ASP 99 Cb 0.50 -1.53 0.65 0.00 2.34 0.00 0.00 41.12 43.08 1o1n n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1o1n h PRO 100 N 10.26 0.00 -0.54 -0.67 0.11 -1.96 0.29 132.00 139.49 1o1n h PRO 100 Ca -0.49 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.72 1o1n h PRO 100 Cb 1.24 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1o1n h PRO 100 CO 0.94 0.00 0.37 1.49 -0.21 0.00 0.00 178.00 180.59 1o1n h GLU 101 N 0.00 0.25 -0.35 1.05 4.57 -1.99 -1.55 114.58 116.56 1o1n h GLU 101 Ca 0.00 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.19 1o1n h GLU 101 Cb 0.01 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 1o1n h GLU 101 CO 0.00 0.17 0.23 -0.91 -1.18 0.00 0.00 179.01 177.32 1o1n h ASN 102 N 0.26 0.34 -0.22 1.04 2.35 -1.30 -1.30 115.58 116.75 1o1n h ASN 102 Ca 0.25 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.92 1o1n h ASN 102 Cb 0.64 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 1o1n h ASN 102 CO -0.05 0.24 -0.10 -0.26 -1.65 0.00 0.00 177.43 175.60 1o1n h PHE 103 N 0.40 0.65 -0.18 1.19 0.04 -1.47 -0.76 116.94 116.81 1o1n h PHE 103 Ca 0.14 -0.10 -0.17 0.00 2.80 0.00 0.00 57.97 60.63 1o1n h PHE 103 Cb 0.07 -0.17 0.01 0.00 2.20 0.00 0.00 35.95 38.05 1o1n h PHE 103 CO -0.00 0.68 -0.57 0.00 -0.60 0.00 0.00 178.31 177.83 1o1n h ARG 104 N 0.55 0.70 -0.54 1.51 3.08 -1.26 -1.32 114.38 117.10 1o1n h ARG 104 Ca 0.10 -0.52 0.00 0.00 0.07 0.00 0.00 59.98 59.64 1o1n h ARG 104 Cb 0.51 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 1o1n h ARG 104 CO 0.03 1.14 0.35 -0.07 -1.07 0.00 0.00 179.97 180.34 1o1n h LEU 105 N 0.40 0.64 -0.49 3.04 3.38 -1.23 -1.74 115.31 119.31 1o1n h LEU 105 Ca -0.02 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1o1n h LEU 105 Cb 1.19 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1o1n h LEU 105 CO 0.12 0.48 0.14 0.25 0.09 0.00 0.00 178.44 179.53 1o1n h LEU 106 N 0.74 0.73 -0.74 1.67 5.85 -1.09 -0.32 115.31 122.14 1o1n h LEU 106 Ca 0.20 -0.22 0.14 0.00 0.84 0.00 0.00 57.88 58.84 1o1n h LEU 106 Cb -0.05 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 40.69 1o1n h LEU 106 CO -0.04 0.75 0.29 1.23 -0.34 0.00 0.00 178.44 180.33 1o1n h GLY 107 N 0.66 1.12 1.38 3.75 0.00 -0.96 0.17 103.07 109.19 1o1n h GLY 107 Ca 0.16 -0.14 -0.19 0.00 0.00 0.00 0.00 47.33 47.16 1o1n h GLY 107 CO -0.00 -0.10 -0.69 3.43 0.00 0.00 0.00 176.54 179.18 1o1n h ASN 108 N 0.43 0.72 -0.23 0.19 2.35 -0.89 -1.97 115.58 116.17 1o1n h ASN 108 Ca 0.41 -0.44 -0.08 0.00 -0.55 0.00 0.00 56.30 55.63 1o1n h ASN 108 Cb 0.62 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 1o1n h ASN 108 CO -0.41 1.20 -0.11 0.58 -1.65 0.00 0.00 177.43 177.04 1o1n h VAL 109 N 0.44 1.24 -0.65 2.81 2.07 -0.64 -2.30 116.25 119.23 1o1n h VAL 109 Ca -0.02 -1.09 -0.08 0.00 0.82 0.00 0.00 66.70 66.33 1o1n h VAL 109 Cb 1.28 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 1o1n h VAL 109 CO 0.13 0.36 0.10 0.25 0.02 0.00 0.00 177.57 178.44 1o1n h LEU 110 N 0.57 1.04 -0.92 2.57 5.85 -0.47 -1.07 115.31 122.88 1o1n h LEU 110 Ca 0.10 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 1o1n h LEU 110 Cb 0.53 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1o1n h LEU 110 CO 0.03 1.04 0.49 0.58 -0.34 0.00 0.00 178.44 180.23 1o1n h VAL 111 N 0.99 1.26 -0.64 1.05 2.07 -1.14 -0.54 116.25 119.30 1o1n h VAL 111 Ca 0.20 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1o1n h VAL 111 Cb 0.44 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1o1n h VAL 111 CO 0.01 0.29 0.30 0.00 0.02 0.00 0.00 177.57 178.19 1o1n h VAL 113 N 0.89 1.25 -0.58 0.00 2.07 -0.44 -0.20 116.25 119.23 1o1n h VAL 113 Ca 0.22 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1o1n h VAL 113 Cb 0.14 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1o1n h VAL 113 CO -0.03 0.33 0.28 -0.07 0.02 0.00 0.00 177.57 178.10 1o1n h LEU 114 N 0.99 0.74 -0.53 2.57 3.38 -0.92 0.97 115.31 122.50 1o1n h LEU 114 Ca 0.22 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 1o1n h LEU 114 Cb 0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1o1n h LEU 114 CO -0.01 0.63 -0.20 0.00 0.09 0.00 0.00 178.44 178.95 1o1n h ALA 115 N 1.49 0.72 -0.52 1.53 0.00 -0.76 -0.79 119.26 120.93 1o1n h ALA 115 Ca 0.20 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1o1n h ALA 115 Cb 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1o1n h ALA 115 CO -0.03 0.67 -0.09 1.25 0.00 0.00 0.00 179.25 181.06 1o1n h HIS 116 N 0.86 1.06 -0.17 0.00 -0.00 -0.35 0.22 115.15 116.77 1o1n h HIS 116 Ca 0.12 -0.21 -0.17 0.00 -0.00 0.00 0.00 60.37 60.11 1o1n h HIS 116 Cb 0.77 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.91 1o1n h HIS 116 CO 0.05 0.99 -0.59 1.25 -0.00 0.00 0.00 177.93 179.63 1o1n h HIS 117 N 0.86 0.69 -0.00 5.26 6.17 -0.66 -3.35 115.15 124.12 1o1n h HIS 117 Ca 0.14 -0.26 0.00 0.00 0.71 0.00 0.00 60.37 60.96 1o1n h HIS 117 Cb 0.63 -0.13 0.00 0.00 2.52 0.00 0.00 27.41 30.43 1o1n h HIS 117 CO 0.04 1.00 -0.38 1.19 0.71 0.00 0.00 177.93 180.49 1o1n n PHE 118 N -3.94 0.00 0.00 5.26 3.72 -0.32 -5.07 117.46 117.12 1o1n n PHE 118 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1o1n n PHE 118 Cb 0.63 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 1o1n n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1o1n n GLY 119 N 1.18 2.93 0.33 1.37 0.00 0.06 -1.69 105.19 109.38 1o1n n GLY 119 Ca 0.02 0.06 0.21 0.00 0.00 0.00 0.00 46.02 46.31 1o1n n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1o1n h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.98 0.12 116.57 118.42 1o1n h LYS 120 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1o1n h LYS 120 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1o1n h LYS 120 CO 0.00 0.00 0.00 1.49 -2.00 0.00 0.00 179.45 178.94 1o1n h GLU 121 N 0.00 0.00 -4.23 0.07 4.81 -1.72 -3.33 114.58 110.18 1o1n h GLU 121 Ca -0.00 0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.49 1o1n h GLU 121 Cb 0.02 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.26 1o1n h GLU 121 CO 0.00 0.00 2.01 0.34 -0.73 0.00 0.00 179.01 180.63 1o1n n PHE 122 N -2.83 3.84 -1.54 0.92 7.35 0.40 -4.95 117.46 120.66 1o1n n PHE 122 Ca 0.02 -3.00 -0.30 0.00 -0.76 0.00 0.00 57.45 53.41 1o1n n PHE 122 Cb 0.31 -2.19 0.09 0.00 0.35 0.00 0.00 39.48 38.04 1o1n n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1o1n s THR 123 N 1.60 3.14 0.22 -2.13 -4.23 -1.25 -4.70 115.64 108.30 1o1n s THR 123 Ca 0.43 0.37 -0.08 0.00 -1.18 0.00 0.00 61.69 61.24 1o1n s THR 123 Cb 0.06 -3.10 0.19 0.00 1.34 0.00 0.00 72.50 70.99 1o1n s THR 123 CO -0.00 -0.49 1.70 -0.65 -0.54 0.00 0.00 174.62 174.64 1o1n h PRO 124 N -1.07 0.26 -0.04 3.99 0.11 -1.94 0.12 132.00 133.43 1o1n h PRO 124 Ca -0.47 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 1o1n h PRO 124 Cb 1.26 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1o1n h PRO 124 CO 0.59 0.17 -0.36 -1.35 -0.21 0.00 0.00 178.00 176.83 1o1n h PRO 125 N 0.27 0.08 -0.31 1.05 0.11 -1.99 -1.01 132.00 130.19 1o1n h PRO 125 Ca 0.36 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.28 1o1n h PRO 125 Cb 0.56 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.67 1o1n h PRO 125 CO -0.45 0.44 -0.43 0.28 -0.21 0.00 0.00 178.00 177.62 1o1n h VAL 126 N 0.07 1.28 -0.58 3.15 2.07 -1.66 -2.28 116.25 118.31 1o1n h VAL 126 Ca 0.01 -1.62 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 1o1n h VAL 126 Cb 0.68 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 1o1n h VAL 126 CO 0.05 0.53 0.34 -0.61 0.02 0.00 0.00 177.57 177.90 1o1n h GLN 127 N 0.61 0.80 -0.84 1.57 4.15 -0.53 -1.56 115.11 119.32 1o1n h GLN 127 Ca 0.03 -0.08 0.06 0.00 0.77 0.00 0.00 58.65 59.43 1o1n h GLN 127 Cb 1.03 -0.16 -0.06 0.00 0.21 0.00 0.00 27.48 28.50 1o1n h GLN 127 CO 0.10 0.59 0.52 0.00 -1.93 0.00 0.00 178.83 178.11 1o1n h ALA 128 N 1.16 1.14 -0.39 3.38 0.00 -1.04 0.17 119.26 123.68 1o1n h ALA 128 Ca 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1o1n h ALA 128 Cb 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1o1n h ALA 128 CO -0.04 0.27 0.20 0.00 0.00 0.00 0.00 179.25 179.69 1o1n h ALA 129 N 1.39 0.50 -0.12 0.00 0.00 -1.14 -2.20 119.26 117.69 1o1n h ALA 129 Ca 0.36 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 1o1n h ALA 129 Cb 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1o1n h ALA 129 CO -0.16 0.04 -0.24 1.88 0.00 0.00 0.00 179.25 180.77 1o1n h TYR 130 N 0.49 0.22 -0.45 0.00 0.05 -0.28 -2.50 116.97 114.49 1o1n h TYR 130 Ca 0.14 -0.04 -0.10 0.00 0.05 0.00 0.00 58.73 58.78 1o1n h TYR 130 Cb 0.08 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.74 1o1n h TYR 130 CO -0.02 0.43 -0.10 1.96 -1.05 0.00 0.00 178.16 179.38 1o1n h GLN 131 N 0.18 0.81 -0.67 4.88 1.08 -0.29 -0.81 115.11 120.31 1o1n h GLN 131 Ca 0.03 -0.27 -0.07 0.00 -1.45 0.00 0.00 58.65 56.88 1o1n h GLN 131 Cb 0.53 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.86 1o1n h GLN 131 CO 0.04 0.88 0.12 0.87 -0.95 0.00 0.00 178.83 179.79 1o1n h LYS 132 N 0.74 1.09 -0.28 1.46 1.57 -1.07 -2.18 116.57 117.90 1o1n h LYS 132 Ca 0.12 -0.28 -0.11 0.00 -1.87 0.00 0.00 60.65 58.52 1o1n h LYS 132 Cb 0.59 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 1o1n h LYS 132 CO 0.04 0.98 -0.25 0.28 -0.57 0.00 0.00 179.45 179.93 1o1n h VAL 133 N 1.02 1.30 -0.07 0.50 2.07 -1.03 -1.07 116.25 118.98 1o1n h VAL 133 Ca 0.20 -1.41 -0.12 0.00 0.82 0.00 0.00 66.70 66.19 1o1n h VAL 133 Cb 0.42 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1o1n h VAL 133 CO 0.01 0.45 -0.50 -0.37 0.02 0.00 0.00 177.57 177.17 1o1n h VAL 134 N 0.40 1.35 -0.65 2.57 -1.51 -1.13 0.16 116.25 117.44 1o1n h VAL 134 Ca 0.05 -1.74 -0.08 0.00 -1.23 0.00 0.00 66.70 63.69 1o1n h VAL 134 Cb 0.81 1.86 -0.03 0.00 -2.13 0.00 0.00 31.29 31.80 1o1n h VAL 134 CO 0.06 0.51 0.10 0.00 -1.23 0.00 0.00 177.57 177.02 1o1n h ALA 135 N 1.33 0.94 -0.40 5.19 0.00 -1.32 -1.02 119.26 123.99 1o1n h ALA 135 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1o1n h ALA 135 Cb 0.94 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1o1n h ALA 135 CO 0.08 0.66 0.21 0.78 0.00 0.00 0.00 179.25 180.98 1o1n h GLY 136 N 1.04 0.60 0.83 0.00 0.00 -0.75 0.19 103.07 104.98 1o1n h GLY 136 Ca 0.20 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1o1n h GLY 136 CO 0.01 0.27 0.01 -2.08 0.00 0.00 0.00 176.54 174.75 1o1n h VAL 137 N 0.51 1.15 -0.59 4.60 2.07 -0.87 -1.30 116.25 121.82 1o1n h VAL 137 Ca 0.14 -0.43 0.08 0.00 0.82 0.00 0.00 66.70 67.31 1o1n h VAL 137 Cb 0.07 1.41 -0.07 0.00 -1.52 0.00 0.00 31.29 31.18 1o1n h VAL 137 CO -0.02 0.12 0.24 0.00 0.02 0.00 0.00 177.57 177.92 1o1n h ALA 138 N 0.83 0.76 -0.60 1.67 0.00 -1.03 -0.67 119.26 120.21 1o1n h ALA 138 Ca 0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1o1n h ALA 138 Cb 0.18 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1o1n h ALA 138 CO -0.00 -0.16 0.33 -0.91 0.00 0.00 0.00 179.25 178.51 1o1n h ASN 139 N 0.43 0.75 -0.57 0.00 2.35 -0.85 -2.00 115.58 115.71 1o1n h ASN 139 Ca 0.29 -0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.86 1o1n h ASN 139 Cb 0.32 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1o1n h ASN 139 CO -0.27 0.63 0.02 0.00 -1.65 0.00 0.00 177.43 176.15 1o1n h ALA 140 N 1.16 0.91 0.00 -0.83 0.00 -0.71 -2.08 119.26 117.70 1o1n h ALA 140 Ca 0.21 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1o1n h ALA 140 Cb 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1o1n h ALA 140 CO -0.03 0.65 0.00 -0.07 0.00 0.00 0.00 179.25 179.80 1o1n h LEU 141 N 0.94 0.00 -0.46 0.00 3.38 -0.96 -2.94 115.31 115.27 1o1n h LEU 141 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1o1n h LEU 141 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1o1n h LEU 141 CO 0.03 0.00 -0.61 0.00 0.09 0.00 0.00 178.44 177.94 1o1n n ALA 142 N -2.09 3.87 0.04 1.53 0.00 -0.77 -4.47 120.51 118.62 1o1n n ALA 142 Ca 0.00 -0.55 0.02 0.00 0.00 0.00 0.00 53.44 52.91 1o1n n ALA 142 Cb 0.28 -0.89 0.36 0.00 0.00 0.00 0.00 19.45 19.21 1o1n n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1o1n h HIS 143 N 1.13 0.44 -0.67 0.00 6.17 -1.20 -2.62 115.15 118.40 1o1n h HIS 143 Ca 0.00 -0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.05 1o1n h HIS 143 Cb 0.60 -0.13 0.00 0.00 2.52 0.00 0.00 27.41 30.40 1o1n h HIS 143 CO 0.00 0.42 0.00 1.63 0.71 0.00 0.00 177.93 180.69 1o1n n LYS 144 N -4.34 2.56 -2.22 5.26 4.76 -1.26 -4.94 118.16 117.97 1o1n n LYS 144 Ca 0.01 -2.42 -0.40 0.00 -2.87 0.00 0.00 58.31 52.63 1o1n n LYS 144 Cb 0.20 -1.52 -0.02 0.00 -1.84 0.00 0.00 35.03 31.84 1o1n n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1o1n s TYR 145 N -1.11 3.13 0.00 2.13 1.51 -0.99 -4.75 117.35 117.27 1o1n s TYR 145 Ca 0.45 1.51 0.00 0.00 -1.01 0.00 0.00 57.07 58.02 1o1n s TYR 145 Cb 0.23 -3.53 0.00 0.00 -0.11 0.00 0.00 41.96 38.55 1o1n s TYR 145 CO 0.31 -1.49 0.00 -2.39 -1.11 0.00 0.00 175.55 170.87