#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 3.38 0.22 1.12 2.46 -1.26 -4.28 115.29 116.93 1o1n s HIS 2 Ca 0.00 0.41 0.09 0.00 0.47 0.00 0.00 55.06 56.03 1o1n s HIS 2 Cb 0.00 -2.30 -0.05 0.00 -0.13 0.00 0.00 32.58 30.10 1o1n s HIS 2 CO 0.00 0.15 -0.16 -0.51 -2.47 0.00 0.00 174.74 171.75 1o1n s LEU 3 N 0.78 2.55 0.69 8.88 1.43 -1.26 -5.11 118.68 126.64 1o1n s LEU 3 Ca 0.12 -1.01 -0.11 0.00 -1.03 0.00 0.00 54.13 52.10 1o1n s LEU 3 Cb -0.13 -0.77 0.00 0.00 0.03 0.00 0.00 46.19 45.32 1o1n s LEU 3 CO 0.03 -0.11 1.06 0.42 0.23 0.00 0.00 176.35 177.98 1o1n s THR 4 N -2.80 3.99 0.31 5.49 -4.23 -1.26 -4.82 115.64 112.33 1o1n s THR 4 Ca 0.23 0.67 0.04 0.00 -1.18 0.00 0.00 61.69 61.46 1o1n s THR 4 Cb -0.02 -3.39 0.30 0.00 1.34 0.00 0.00 72.50 70.73 1o1n s THR 4 CO 0.08 -0.82 1.86 -0.65 -0.54 0.00 0.00 174.62 174.55 1o1n h PRO 5 N -0.62 0.86 -0.34 3.99 0.11 -2.01 0.27 132.00 134.26 1o1n h PRO 5 Ca -0.44 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1o1n h PRO 5 Cb 1.21 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1o1n h PRO 5 CO 0.57 0.57 0.23 0.93 -0.21 0.00 0.00 178.00 180.08 1o1n h GLU 6 N 0.89 0.45 -0.05 1.05 3.07 -2.00 -0.91 114.58 117.09 1o1n h GLU 6 Ca 0.47 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.30 1o1n h GLU 6 Cb 0.54 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.34 1o1n h GLU 6 CO -0.23 0.30 0.03 0.93 -1.40 0.00 0.00 179.01 178.63 1o1n h GLU 7 N 0.46 0.07 -0.62 2.33 5.08 -1.63 -2.45 114.58 117.82 1o1n h GLU 7 Ca 0.13 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 1o1n h GLU 7 Cb -0.05 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1o1n h GLU 7 CO -0.03 0.13 0.05 0.87 -1.00 0.00 0.00 179.01 179.03 1o1n h LYS 8 N -0.01 1.05 -0.70 2.33 1.57 -0.86 -1.96 116.57 117.99 1o1n h LYS 8 Ca 0.02 -0.31 0.05 0.00 -1.87 0.00 0.00 60.65 58.53 1o1n h LYS 8 Cb 0.08 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.23 1o1n h LYS 8 CO -0.00 1.01 0.42 1.03 -0.57 0.00 0.00 179.45 181.33 1o1n h SER 9 N 0.96 0.65 -0.73 0.86 0.87 -1.09 -1.52 113.55 113.56 1o1n h SER 9 Ca 0.18 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1o1n h SER 9 Cb 0.50 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 1o1n h SER 9 CO 0.02 0.44 0.37 0.00 -0.53 0.00 0.00 176.83 177.12 1o1n h ALA 10 N 1.33 0.94 0.10 6.23 0.00 -1.05 -0.64 119.26 126.17 1o1n h ALA 10 Ca 0.30 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1o1n h ALA 10 Cb 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1o1n h ALA 10 CO -0.15 0.49 -0.05 0.28 0.00 0.00 0.00 179.25 179.82 1o1n h VAL 11 N 1.01 1.13 -0.94 0.00 2.07 -0.89 -2.58 116.25 116.07 1o1n h VAL 11 Ca 0.25 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1o1n h VAL 11 Cb 0.09 1.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 1o1n h VAL 11 CO -0.03 0.27 0.55 0.71 0.02 0.00 0.00 177.57 179.09 1o1n h THR 12 N -0.70 1.26 -0.19 2.57 1.35 -1.32 -1.58 112.91 114.30 1o1n h THR 12 Ca -0.01 -0.58 -0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1o1n h THR 12 Cb 0.54 -0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 66.91 1o1n h THR 12 CO 0.02 0.28 0.10 0.00 -0.25 0.00 0.00 175.52 175.67 1o1n h ALA 13 N 1.31 0.24 -0.21 6.62 0.00 -1.13 -2.78 119.26 123.32 1o1n h ALA 13 Ca 0.33 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 1o1n h ALA 13 Cb -0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1o1n h ALA 13 CO -0.06 -0.22 -0.40 1.25 0.00 0.00 0.00 179.25 179.82 1o1n h LEU 14 N 0.20 0.51 -1.51 0.00 5.85 -1.33 -3.10 115.31 115.93 1o1n h LEU 14 Ca 0.07 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 1o1n h LEU 14 Cb 0.08 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1o1n h LEU 14 CO -0.01 0.86 -0.25 -0.25 -0.34 0.00 0.00 178.44 178.44 1o1n h TRP 15 N 0.40 0.00 -0.02 1.25 2.91 -1.11 -1.89 115.95 117.48 1o1n h TRP 15 Ca 0.04 0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.06 1o1n h TRP 15 Cb 0.88 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.52 1o1n h TRP 15 CO 0.03 0.25 0.11 0.78 -1.03 0.00 0.00 178.44 178.58 1o1n h GLY 16 N 0.90 0.00 -1.56 2.65 0.00 -1.41 -0.11 103.07 103.53 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 -0.14 0.28 0.00 0.00 0.00 176.54 176.71 1o1n n LYS 17 N -3.17 1.89 -2.78 4.80 5.02 -0.72 -4.93 118.16 118.28 1o1n n LYS 17 Ca -0.02 -1.58 -0.42 0.00 -2.02 0.00 0.00 58.31 54.27 1o1n n LYS 17 Cb 0.18 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.72 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 -2.06 4.86 -0.62 -0.18 1.01 -0.06 -4.97 120.40 118.39 1o1n s VAL 18 Ca 0.24 1.90 -0.25 0.00 0.00 0.00 0.00 61.98 63.86 1o1n s VAL 18 Cb 0.18 -4.25 0.04 0.00 0.00 0.00 0.00 36.38 32.36 1o1n s VAL 18 CO 0.37 0.09 1.07 0.21 0.00 0.00 0.00 175.10 176.84 1o1n s ASN 19 N 1.04 6.30 0.53 3.32 3.84 -1.26 -4.88 114.94 123.82 1o1n s ASN 19 Ca 0.46 -0.39 0.18 0.00 0.21 0.00 0.00 52.86 53.33 1o1n s ASN 19 Cb -0.19 -2.49 1.36 0.00 -0.55 0.00 0.00 41.25 39.39 1o1n s ASN 19 CO 0.20 -1.45 2.17 0.58 -2.79 0.00 0.00 177.10 175.80 1o1n h VAL 20 N 6.05 0.93 0.96 -5.21 2.07 -1.94 -0.90 116.25 118.20 1o1n h VAL 20 Ca -0.27 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 1o1n h VAL 20 Cb 1.06 1.00 0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1o1n h VAL 20 CO 1.17 0.00 -0.49 0.44 0.02 0.00 0.00 177.57 178.71 1o1n h ASP 21 N 0.00 -1.17 -0.55 0.57 3.32 -1.90 0.53 116.42 117.23 1o1n h ASP 21 Ca 0.00 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 1o1n h ASP 21 Cb 0.00 0.31 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1o1n h ASP 21 CO -0.00 -0.81 0.07 -0.08 -1.72 0.00 0.00 179.24 176.71 1o1n h GLU 22 N -1.32 0.92 -0.22 3.56 4.22 -1.83 -2.36 114.58 117.54 1o1n h GLU 22 Ca -0.13 -0.26 -0.14 0.00 0.08 0.00 0.00 59.36 58.91 1o1n h GLU 22 Cb 1.02 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1o1n h GLU 22 CO 0.20 0.90 -0.44 0.28 -2.18 0.00 0.00 179.01 177.76 1o1n h VAL 23 N 0.81 1.31 -0.41 0.32 2.07 -1.21 -2.66 116.25 116.47 1o1n h VAL 23 Ca 0.16 -1.63 -0.06 0.00 0.82 0.00 0.00 66.70 65.99 1o1n h VAL 23 Cb 0.43 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1o1n h VAL 23 CO 0.01 0.51 0.02 1.23 0.02 0.00 0.00 177.57 179.37 1o1n h GLY 24 N 1.07 0.77 1.41 2.17 0.00 -0.64 -0.58 103.07 107.27 1o1n h GLY 24 Ca 0.03 -0.55 -0.09 0.00 0.00 0.00 0.00 47.33 46.73 1o1n h GLY 24 CO 0.08 0.50 -0.13 -1.33 0.00 0.00 0.00 176.54 175.67 1o1n h GLY 25 N 0.55 0.75 0.85 4.60 0.00 -1.46 -1.64 103.07 106.73 1o1n h GLY 25 Ca 0.12 -0.57 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 1o1n h GLY 25 CO 0.02 0.52 0.03 -2.09 0.00 0.00 0.00 176.54 175.02 1o1n h GLU 26 N 0.63 0.39 -0.00 4.80 4.57 -1.27 -1.57 114.58 122.13 1o1n h GLU 26 Ca 0.11 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1o1n h GLU 26 Cb 0.58 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1o1n h GLU 26 CO 0.04 0.54 0.00 0.00 -1.18 0.00 0.00 179.01 178.41 1o1n h ALA 27 N 0.84 0.00 -0.57 2.92 0.00 -0.99 -0.90 119.26 120.55 1o1n h ALA 27 Ca 0.07 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1o1n h ALA 27 Cb 0.34 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1o1n h ALA 27 CO 0.01 -0.42 0.13 1.25 0.00 0.00 0.00 179.25 180.21 1o1n h LEU 28 N -0.14 0.88 -0.40 0.00 5.85 -1.35 -2.07 115.31 118.08 1o1n h LEU 28 Ca 0.00 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 1o1n h LEU 28 Cb 0.15 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1o1n h LEU 28 CO -0.00 0.89 0.24 1.23 -0.34 0.00 0.00 178.44 180.46 1o1n h GLY 29 N 0.83 0.59 1.56 3.75 0.00 -1.16 -2.11 103.07 106.52 1o1n h GLY 29 Ca 0.18 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 1o1n h GLY 29 CO 0.00 0.24 0.02 3.21 0.00 0.00 0.00 176.54 180.01 1o1n h ARG 30 N 0.53 0.55 -0.37 4.80 3.08 -1.09 -1.01 114.38 120.86 1o1n h ARG 30 Ca 0.14 -0.11 0.05 0.00 0.07 0.00 0.00 59.98 60.14 1o1n h ARG 30 Cb 0.01 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 29.93 1o1n h ARG 30 CO -0.03 0.56 0.08 1.25 -1.07 0.00 0.00 179.97 180.76 1o1n h LEU 31 N 0.53 0.02 -1.11 3.04 5.85 -0.98 0.22 115.31 122.88 1o1n h LEU 31 Ca 0.12 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 1o1n h LEU 31 Cb 0.31 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1o1n h LEU 31 CO 0.01 0.05 -0.41 -0.07 -0.34 0.00 0.00 178.44 177.67 1o1n h LEU 32 N 0.21 0.00 0.16 2.25 3.38 -0.81 -1.86 115.31 118.63 1o1n h LEU 32 Ca 0.18 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.90 1o1n h LEU 32 Cb 0.20 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.97 1o1n h LEU 32 CO -0.23 0.41 -1.14 0.58 0.09 0.00 0.00 178.44 178.15 1o1n h VAL 33 N 0.00 1.31 0.06 1.22 2.07 -0.83 -3.30 116.25 116.78 1o1n h VAL 33 Ca -0.00 -2.53 -0.24 0.00 0.82 0.00 0.00 66.70 64.75 1o1n h VAL 33 Cb 0.80 3.02 -0.01 0.00 -1.52 0.00 0.00 31.29 33.58 1o1n h VAL 33 CO 0.05 0.74 -1.10 0.58 0.02 0.00 0.00 177.57 177.86 1o1n h VAL 34 N -0.24 1.59 -2.64 2.57 2.07 -0.56 -3.37 116.25 115.66 1o1n h VAL 34 Ca -0.22 -3.16 -0.60 0.00 0.82 0.00 0.00 66.70 63.54 1o1n h VAL 34 Cb 1.79 2.85 -0.41 0.00 -1.52 0.00 0.00 31.29 34.00 1o1n h VAL 34 CO 0.15 0.91 -0.73 -1.22 0.02 0.00 0.00 177.57 176.71 1o1n n TYR 35 N -3.47 1.95 0.29 1.57 4.01 -0.70 -4.98 117.16 115.83 1o1n n TYR 35 Ca -0.04 -3.97 0.15 0.00 -0.16 0.00 0.00 57.90 53.88 1o1n n TYR 35 Cb 0.96 -0.37 0.71 0.00 -0.31 0.00 0.00 39.34 40.33 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 5.09 0.00 0.00 -0.72 0.11 -1.74 -1.36 132.00 133.38 1o1n h PRO 36 Ca 0.18 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.29 1o1n h PRO 36 Cb 0.79 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 1o1n h PRO 36 CO 0.63 0.00 -0.01 0.11 -0.21 0.00 0.00 178.00 178.52 1o1n h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.91 -1.60 115.95 113.18 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 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.46 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 -3.11 0.91 0.25 0.12 -2.24 -0.51 -2.23 114.28 107.46 1o1n n THR 38 Ca -0.01 0.30 0.10 0.00 -2.27 0.00 0.00 64.05 62.17 1o1n n THR 38 Cb 0.22 -1.22 0.48 0.00 -2.10 0.00 0.00 70.33 67.71 1o1n n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o1n n GLN 39 N -2.13 0.14 0.26 -0.78 6.02 -0.60 -2.84 117.38 117.45 1o1n n GLN 39 Ca 0.02 0.52 0.18 0.00 -0.01 0.00 0.00 57.00 57.71 1o1n n GLN 39 Cb 0.19 -1.86 0.94 0.00 1.02 0.00 0.00 30.24 30.53 1o1n n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1o1n h ARG 40 N 0.00 0.00 -0.01 -1.09 0.11 -1.66 -1.60 114.38 110.13 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 0.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.23 1o1n h ARG 40 CO 0.00 0.00 -0.42 1.19 0.10 0.00 0.00 179.97 180.84 1o1n n PHE 41 N -2.71 0.00 -2.12 4.08 3.72 -1.13 -4.51 117.46 114.80 1o1n n PHE 41 Ca -0.02 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.34 1o1n n PHE 41 Cb 0.05 -0.07 0.09 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 -0.52 0.99 0.22 1.38 3.72 -0.60 -4.82 117.46 117.83 1o1n n PHE 42 Ca 0.10 -1.61 0.14 0.00 -0.05 0.00 0.00 57.45 56.03 1o1n n PHE 42 Cb 0.39 -0.25 0.77 0.00 -0.94 0.00 0.00 39.48 39.46 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 1.61 0.00 -0.10 -1.08 4.39 -1.79 -1.11 114.58 116.50 1o1n h GLU 43 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1o1n h GLU 43 Cb 1.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 1o1n h GLU 43 CO 0.27 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.99 1o1n n SER 44 N -4.13 0.99 0.01 1.42 3.41 -1.26 -3.91 113.62 110.15 1o1n n SER 44 Ca -0.00 -1.59 0.12 0.00 -0.26 0.00 0.00 58.87 57.15 1o1n n SER 44 Cb 0.22 -0.06 0.32 0.00 -0.26 0.00 0.00 64.21 64.43 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 -0.13 0.05 0.00 7.33 3.01 -0.42 -5.03 117.46 122.27 1o1n n PHE 45 Ca 0.15 0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.63 1o1n n PHE 45 Cb 0.22 -0.34 0.00 0.00 -0.01 0.00 0.00 39.48 39.35 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 1.48 0.78 3.59 1.37 0.00 -1.25 -4.73 105.19 106.43 1o1n n GLY 46 Ca 0.06 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 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 6.47 -0.07 1.61 2.15 -1.26 -4.88 116.67 116.69 1o1n s ASP 47 Ca 0.00 0.36 0.10 0.00 0.43 0.00 0.00 52.55 53.44 1o1n s ASP 47 Cb 0.00 -2.55 0.16 0.00 -0.30 0.00 0.00 42.92 40.23 1o1n s ASP 47 CO 0.00 -1.42 1.05 0.18 -0.17 0.00 0.00 175.17 174.81 1o1n n LEU 48 N 8.40 1.59 0.12 -1.34 4.77 -1.26 -4.19 117.00 125.09 1o1n n LEU 48 Ca 0.11 -2.23 -0.02 0.00 -0.03 0.00 0.00 56.01 53.85 1o1n n LEU 48 Cb 0.49 -0.23 0.11 0.00 -2.33 0.00 0.00 43.42 41.46 1o1n n LEU 48 CO 0.72 0.52 0.43 0.77 -1.33 0.00 0.00 177.39 178.49 1o1n h SER 49 N 0.00 0.00 -4.44 -1.43 4.64 -1.94 -3.43 113.55 106.95 1o1n h SER 49 Ca 0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 1o1n h SER 49 Cb 1.01 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.94 1o1n h SER 49 CO 0.00 0.69 -0.71 0.42 -0.87 0.00 0.00 176.83 176.35 1o1n s THR 50 N -3.42 0.84 0.25 2.95 -4.23 -1.26 -5.02 115.64 105.75 1o1n s THR 50 Ca -0.01 -1.78 -0.03 0.00 -1.18 0.00 0.00 61.69 58.69 1o1n s THR 50 Cb 0.12 -1.50 0.22 0.00 1.34 0.00 0.00 72.50 72.68 1o1n s THR 50 CO 0.77 -0.70 1.80 -0.65 -0.54 0.00 0.00 174.62 175.30 1o1n h PRO 51 N 3.28 0.74 -0.85 3.99 0.11 -1.97 1.00 132.00 138.30 1o1n h PRO 51 Ca -0.36 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.68 1o1n h PRO 51 Cb 1.18 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 1o1n h PRO 51 CO 0.58 0.49 0.42 -0.44 -0.21 0.00 0.00 178.00 178.85 1o1n h ASP 52 N 0.76 1.09 -0.02 -2.05 5.19 -1.98 0.17 116.42 119.59 1o1n h ASP 52 Ca 0.41 -0.12 -0.00 0.00 -0.62 0.00 0.00 57.03 56.70 1o1n h ASP 52 Cb 0.42 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.65 1o1n h ASP 52 CO -0.27 0.90 0.01 0.00 -3.12 0.00 0.00 179.24 176.76 1o1n h ALA 53 N 1.26 0.02 -0.19 3.45 0.00 -1.34 -2.61 119.26 119.85 1o1n h ALA 53 Ca 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1o1n h ALA 53 Cb 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1o1n h ALA 53 CO -0.04 -0.41 0.13 0.28 0.00 0.00 0.00 179.25 179.21 1o1n h VAL 54 N -0.11 1.05 0.00 0.00 2.07 -0.39 -1.68 116.25 117.19 1o1n h VAL 54 Ca 0.01 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 1o1n h VAL 54 Cb 0.14 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1o1n h VAL 54 CO -0.00 0.05 -0.28 0.24 0.02 0.00 0.00 177.57 177.60 1o1n h MET 55 N 0.26 0.00 -0.34 1.57 2.07 -0.68 -2.56 114.93 115.25 1o1n h MET 55 Ca 0.07 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.70 1o1n h MET 55 Cb -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.70 1o1n h MET 55 CO -0.02 0.28 0.00 0.41 1.07 0.00 0.00 176.91 178.66 1o1n n GLY 56 N -0.68 1.55 3.67 8.32 0.00 -0.99 -4.88 105.19 112.19 1o1n n GLY 56 Ca -0.02 -0.71 -0.42 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 -1.54 6.78 0.39 1.61 3.84 -0.65 -4.91 114.94 120.44 1o1n s ASN 57 Ca 0.37 2.11 0.09 0.00 0.21 0.00 0.00 52.86 55.65 1o1n s ASN 57 Cb 0.22 -2.55 0.78 0.00 -0.55 0.00 0.00 41.25 39.16 1o1n s ASN 57 CO 0.31 -0.82 1.92 1.55 -2.79 0.00 0.00 177.10 177.27 1o1n h PRO 58 N 8.60 0.25 -0.12 0.43 0.13 -1.91 -2.11 132.00 137.28 1o1n h PRO 58 Ca -0.37 -0.06 -0.13 0.00 -0.87 0.00 0.00 66.00 64.58 1o1n h PRO 58 Cb 1.17 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1o1n h PRO 58 CO 0.94 0.38 -0.49 0.87 -0.23 0.00 0.00 178.00 179.46 1o1n h LYS 59 N 0.24 0.33 -0.16 0.86 6.56 -1.91 -1.68 116.57 120.80 1o1n h LYS 59 Ca 0.05 -0.18 -0.04 0.00 -1.06 0.00 0.00 60.65 59.41 1o1n h LYS 59 Cb 0.36 0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.03 1o1n h LYS 59 CO 0.02 0.75 -0.06 0.28 -2.06 0.00 0.00 179.45 178.38 1o1n h VAL 60 N 0.26 1.30 -0.54 0.50 2.07 -1.81 -0.84 116.25 117.19 1o1n h VAL 60 Ca 0.01 -1.08 0.02 0.00 0.82 0.00 0.00 66.70 66.48 1o1n h VAL 60 Cb 0.96 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 1o1n h VAL 60 CO 0.08 0.32 0.32 0.11 0.02 0.00 0.00 177.57 178.42 1o1n h LYS 61 N 0.01 0.63 -0.46 1.57 1.57 -1.31 0.36 116.57 118.93 1o1n h LYS 61 Ca 0.04 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1o1n h LYS 61 Cb 0.52 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1o1n h LYS 61 CO 0.02 0.41 0.21 0.00 -0.57 0.00 0.00 179.45 179.53 1o1n h ALA 62 N 1.24 0.60 -0.40 3.86 0.00 -1.23 -1.94 119.26 121.39 1o1n h ALA 62 Ca 0.21 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1o1n h ALA 62 Cb 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1o1n h ALA 62 CO -0.09 0.18 -0.30 1.25 0.00 0.00 0.00 179.25 180.28 1o1n h HIS 63 N 0.61 1.02 -0.85 0.00 -0.00 -0.91 -2.66 115.15 112.36 1o1n h HIS 63 Ca 0.16 -0.27 0.06 0.00 -0.00 0.00 0.00 60.37 60.32 1o1n h HIS 63 Cb 0.14 -0.23 -0.06 0.00 -0.00 0.00 0.00 27.41 27.27 1o1n h HIS 63 CO -0.00 1.06 0.52 0.78 -0.00 0.00 0.00 177.93 180.29 1o1n h GLY 64 N 0.89 1.27 1.01 5.26 0.00 -0.69 -0.45 103.07 110.35 1o1n h GLY 64 Ca 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1o1n h GLY 64 CO 0.08 0.27 0.48 1.70 0.00 0.00 0.00 176.54 179.07 1o1n h LYS 65 N 0.96 1.02 -0.25 4.80 3.64 -1.08 -0.45 116.57 125.21 1o1n h LYS 65 Ca 0.37 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1o1n h LYS 65 Cb 0.15 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1o1n h LYS 65 CO -0.17 0.70 0.04 -0.22 -2.27 0.00 0.00 179.45 177.53 1o1n h LYS 66 N 1.04 0.42 -0.22 1.90 3.64 -1.04 -0.10 116.57 122.21 1o1n h LYS 66 Ca 0.28 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1o1n h LYS 66 Cb -0.08 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1o1n h LYS 66 CO -0.06 0.55 0.11 0.28 -2.27 0.00 0.00 179.45 178.06 1o1n h VAL 67 N 0.23 1.13 0.00 2.00 2.07 -0.86 -2.06 116.25 118.75 1o1n h VAL 67 Ca 0.08 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 1o1n h VAL 67 Cb 0.33 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1o1n h VAL 67 CO 0.01 0.12 -0.22 0.25 0.02 0.00 0.00 177.57 177.75 1o1n h LEU 68 N 0.23 0.00 -0.78 2.57 5.85 -1.06 -1.81 115.31 120.32 1o1n h LEU 68 Ca 0.08 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1o1n h LEU 68 Cb 0.10 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1o1n h LEU 68 CO -0.01 0.22 0.36 1.23 -0.34 0.00 0.00 178.44 179.90 1o1n h GLY 69 N 3.38 1.21 1.53 3.75 0.00 -0.82 0.21 103.07 112.34 1o1n h GLY 69 Ca -0.00 -0.61 -0.15 0.00 0.00 0.00 0.00 47.33 46.57 1o1n h GLY 69 CO 0.03 0.58 -0.50 0.00 0.00 0.00 0.00 176.54 176.65 1o1n h ALA 70 N 1.19 0.79 -0.74 3.60 0.00 -1.11 -2.08 119.26 120.91 1o1n h ALA 70 Ca 0.27 -0.48 0.03 0.00 0.00 0.00 0.00 54.91 54.72 1o1n h ALA 70 Cb 0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1o1n h ALA 70 CO -0.03 0.67 0.48 0.35 0.00 0.00 0.00 179.25 180.71 1o1n h PHE 71 N 0.39 0.89 -0.49 0.00 3.57 -1.02 -2.24 116.94 118.05 1o1n h PHE 71 Ca 0.02 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.59 1o1n h PHE 71 Cb 1.01 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 1o1n h PHE 71 CO 0.04 0.52 0.24 1.03 -2.23 0.00 0.00 178.31 177.91 1o1n h SER 72 N 0.94 0.33 -0.85 0.41 0.87 -0.18 -2.20 113.55 112.87 1o1n h SER 72 Ca 0.29 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.87 1o1n h SER 72 Cb -0.01 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 61.88 1o1n h SER 72 CO -0.10 0.23 0.48 0.44 -0.53 0.00 0.00 176.83 177.36 1o1n h ASP 73 N 0.47 1.04 -0.58 6.23 3.32 -0.94 -1.11 116.42 124.85 1o1n h ASP 73 Ca 0.22 -0.09 0.12 0.00 0.02 0.00 0.00 57.03 57.30 1o1n h ASP 73 Cb 0.14 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 1o1n h ASP 73 CO -0.16 0.83 0.40 1.23 -1.72 0.00 0.00 179.24 179.81 1o1n h GLY 74 N 1.17 0.39 2.00 2.75 0.00 -0.84 -0.74 103.07 107.81 1o1n h GLY 74 Ca 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1o1n h GLY 74 CO -0.05 0.06 0.00 1.41 0.00 0.00 0.00 176.54 177.95 1o1n h LEU 75 N 0.26 0.00 -0.15 3.11 3.38 -0.73 -1.04 115.31 120.13 1o1n h LEU 75 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1o1n h LEU 75 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1o1n h LEU 75 CO -0.06 0.00 -0.35 0.00 0.09 0.00 0.00 178.44 178.12 1o1n n ALA 76 N -1.90 3.24 -2.58 1.53 0.00 -0.29 -4.21 120.51 116.31 1o1n n ALA 76 Ca 0.00 -0.33 -0.14 0.00 0.00 0.00 0.00 53.44 52.97 1o1n n ALA 76 Cb 0.19 -1.18 0.02 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.22 1.96 0.09 0.00 8.25 -0.40 -4.90 115.22 119.00 1o1n n HIS 77 Ca 0.08 -2.72 0.14 0.00 -0.26 0.00 0.00 57.72 54.97 1o1n n HIS 77 Cb 0.33 -0.27 0.65 0.00 1.12 0.00 0.00 29.99 31.82 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 2.74 0.04 -0.24 2.41 3.38 -1.71 0.25 115.31 122.17 1o1n h LEU 78 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1o1n h LEU 78 Cb 1.16 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1o1n h LEU 78 CO 0.57 0.03 0.00 0.47 0.09 0.00 0.00 178.44 179.60 1o1n n ASP 79 N -4.45 0.26 -2.94 -0.43 9.92 -1.26 -1.77 116.55 115.88 1o1n n ASP 79 Ca 0.05 0.56 -0.14 0.00 -0.53 0.00 0.00 54.79 54.73 1o1n n ASP 79 Cb 0.38 -0.62 0.02 0.00 -0.64 0.00 0.00 41.12 40.25 1o1n n ASP 79 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1o1n n ASN 80 N -1.79 -1.27 -0.13 -2.24 2.85 0.07 -3.49 115.26 109.27 1o1n n ASN 80 Ca 0.03 -3.20 -0.12 0.00 -0.11 0.00 0.00 54.58 51.18 1o1n n ASN 80 Cb 0.21 0.77 -0.02 0.00 1.24 0.00 0.00 39.78 41.98 1o1n n ASN 80 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1o1n h LEU 81 N 3.54 0.91 -0.41 1.20 3.38 -1.69 -1.11 115.31 121.13 1o1n h LEU 81 Ca -0.03 -0.43 0.03 0.00 0.09 0.00 0.00 57.88 57.53 1o1n h LEU 81 Cb 1.00 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1o1n h LEU 81 CO 0.34 1.15 0.21 0.11 0.09 0.00 0.00 178.44 180.34 1o1n h LYS 82 N 0.68 0.41 -0.63 1.13 1.57 -1.91 -0.88 116.57 116.93 1o1n h LYS 82 Ca 0.08 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1o1n h LYS 82 Cb 0.84 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 1o1n h LYS 82 CO 0.07 0.27 0.12 0.78 -0.57 0.00 0.00 179.45 180.12 1o1n h GLY 83 N 0.42 1.12 1.36 3.86 0.00 -1.94 -2.57 103.07 105.31 1o1n h GLY 83 Ca 0.17 -0.73 -0.06 0.00 0.00 0.00 0.00 47.33 46.72 1o1n h GLY 83 CO -0.12 0.68 0.08 -0.84 0.00 0.00 0.00 176.54 176.34 1o1n h THR 84 N 0.95 1.23 -0.35 4.70 2.02 -0.63 -3.26 112.91 117.57 1o1n h THR 84 Ca 0.19 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1o1n h THR 84 Cb 0.41 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1o1n h THR 84 CO 0.01 0.32 0.00 0.49 0.37 0.00 0.00 175.52 176.71 1o1n n PHE 85 N -4.26 0.45 -0.14 3.16 3.72 -0.39 -4.67 117.46 115.35 1o1n n PHE 85 Ca 0.03 -0.31 -0.06 0.00 -0.05 0.00 0.00 57.45 57.07 1o1n n PHE 85 Cb 0.25 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.81 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 3.33 0.54 -0.26 4.37 0.00 -1.51 0.25 119.26 125.99 1o1n h ALA 86 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1o1n h ALA 86 Cb 0.82 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1o1n h ALA 86 CO 0.00 -0.15 0.11 1.15 0.00 0.00 0.00 179.25 180.36 1o1n h THR 87 N 0.42 1.17 -0.32 0.00 2.02 -1.85 -1.52 112.91 112.83 1o1n h THR 87 Ca 0.19 -0.50 -0.05 0.00 0.77 0.00 0.00 66.41 66.82 1o1n h THR 87 Cb 0.10 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1o1n h THR 87 CO -0.14 0.17 -0.01 -0.07 0.37 0.00 0.00 175.52 175.84 1o1n h LEU 88 N 0.27 0.46 0.13 2.58 3.38 -1.81 -1.16 115.31 119.16 1o1n h LEU 88 Ca 0.09 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1o1n h LEU 88 Cb 0.17 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1o1n h LEU 88 CO -0.01 0.53 -0.06 -1.28 0.09 0.00 0.00 178.44 177.71 1o1n h SER 89 N 0.47 -0.15 -0.88 -0.43 0.87 -0.04 0.12 113.55 113.50 1o1n h SER 89 Ca 0.10 -0.07 0.07 0.00 -1.23 0.00 0.00 61.79 60.66 1o1n h SER 89 Cb 0.32 0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 62.25 1o1n h SER 89 CO 0.01 -0.02 0.54 -0.33 -0.53 0.00 0.00 176.83 176.51 1o1n h GLU 90 N -0.27 0.94 -0.48 2.24 5.08 -1.11 -1.87 114.58 119.11 1o1n h GLU 90 Ca -0.02 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1o1n h GLU 90 Cb 0.21 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1o1n h GLU 90 CO 0.03 0.62 0.29 1.25 -1.00 0.00 0.00 179.01 180.20 1o1n h LEU 91 N 0.96 0.58 -1.31 1.33 5.85 -0.92 -0.29 115.31 121.51 1o1n h LEU 91 Ca 0.40 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 59.00 1o1n h LEU 91 Cb 0.24 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1o1n h LEU 91 CO -0.20 0.46 -0.28 0.45 -0.34 0.00 0.00 178.44 178.54 1o1n h HIS 92 N 0.64 0.00 0.01 1.25 3.86 -0.28 -1.45 115.15 119.19 1o1n h HIS 92 Ca 0.17 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1o1n h HIS 92 Cb -0.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.46 1o1n h HIS 92 CO -0.03 0.28 -0.00 0.00 0.86 0.00 0.00 177.93 179.04 1o1n h ASP 94 N -1.00 0.40 0.00 0.00 3.32 -1.07 -3.14 116.42 114.93 1o1n h ASP 94 Ca -0.00 -0.48 -0.43 0.00 0.02 0.00 0.00 57.03 56.14 1o1n h ASP 94 Cb 0.33 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 39.68 1o1n h ASP 94 CO 0.00 1.39 -2.50 0.29 -1.72 0.00 0.00 179.24 176.70 1o1n n LYS 95 N -3.49 0.60 0.09 3.56 4.76 -0.63 -4.70 118.16 118.34 1o1n n LYS 95 Ca -0.12 0.22 0.11 0.00 -2.87 0.00 0.00 58.31 55.65 1o1n n LYS 95 Cb 1.03 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 32.71 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 -3.87 0.72 -3.56 -0.35 4.77 -0.69 -4.97 117.00 109.04 1o1n n LEU 96 Ca -0.51 0.28 -0.21 0.00 -0.03 0.00 0.00 56.01 55.53 1o1n n LEU 96 Cb 0.92 -0.05 0.08 0.00 -2.33 0.00 0.00 43.42 42.04 1o1n n LEU 96 CO 0.11 -0.15 0.16 1.41 -1.33 0.00 0.00 177.39 177.59 1o1n n HIS 97 N -2.61 -2.50 -3.29 -1.77 8.25 -0.44 -4.97 115.22 107.88 1o1n n HIS 97 Ca -0.01 0.97 -0.39 0.00 -0.26 0.00 0.00 57.72 58.02 1o1n n HIS 97 Cb 0.56 -4.94 -0.08 0.00 1.12 0.00 0.00 29.99 26.65 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 -3.36 5.11 0.06 1.59 1.01 -0.54 -5.02 120.40 119.25 1o1n s VAL 98 Ca 0.32 0.78 -0.31 0.00 0.00 0.00 0.00 61.98 62.77 1o1n s VAL 98 Cb -0.14 -3.78 -0.10 0.00 0.00 0.00 0.00 36.38 32.35 1o1n s VAL 98 CO 0.74 0.13 1.88 -0.67 0.00 0.00 0.00 175.10 177.19 1o1n n ASP 99 N 5.32 3.95 0.22 3.32 -0.08 -1.26 -4.79 116.55 123.22 1o1n n ASP 99 Ca -0.06 0.96 0.15 0.00 -1.51 0.00 0.00 54.79 54.33 1o1n n ASP 99 Cb 0.50 -1.51 0.78 0.00 2.34 0.00 0.00 41.12 43.24 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 9.28 0.00 -0.17 -0.67 0.11 -1.97 -0.30 132.00 138.28 1o1n h PRO 100 Ca -0.48 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.68 1o1n h PRO 100 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1o1n h PRO 100 CO 0.94 0.00 0.14 1.49 -0.21 0.00 0.00 178.00 180.36 1o1n h GLU 101 N 0.00 0.00 0.00 1.05 4.57 -1.99 -1.16 114.58 117.05 1o1n h GLU 101 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1o1n h GLU 101 Cb 0.02 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1o1n h GLU 101 CO 0.00 0.00 -0.14 -0.91 -1.18 0.00 0.00 179.01 176.78 1o1n h ASN 102 N 0.00 0.00 -0.33 1.04 2.35 -1.41 -2.13 115.58 115.09 1o1n h ASN 102 Ca 0.08 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 1o1n h ASN 102 Cb 0.35 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 1o1n h ASN 102 CO -0.00 0.14 -0.08 -0.26 -1.65 0.00 0.00 177.43 175.58 1o1n h PHE 103 N 0.00 0.81 -0.44 1.19 0.04 -1.39 -1.53 116.94 115.62 1o1n h PHE 103 Ca -0.00 -0.14 -0.07 0.00 2.80 0.00 0.00 57.97 60.56 1o1n h PHE 103 Cb 0.26 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 1o1n h PHE 103 CO 0.00 0.80 -0.01 0.00 -0.60 0.00 0.00 178.31 178.50 1o1n h ARG 104 N 0.68 0.78 -0.31 1.51 3.08 -1.43 -1.42 114.38 117.28 1o1n h ARG 104 Ca 0.12 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 1o1n h ARG 104 Cb 0.54 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1o1n h ARG 104 CO 0.03 0.85 0.15 -0.07 -1.07 0.00 0.00 179.97 179.86 1o1n h LEU 105 N 0.62 0.41 -0.78 3.04 3.38 -1.19 -2.24 115.31 118.54 1o1n h LEU 105 Ca 0.12 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1o1n h LEU 105 Cb 0.51 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1o1n h LEU 105 CO 0.02 0.42 0.46 0.25 0.09 0.00 0.00 178.44 179.69 1o1n h LEU 106 N 0.37 0.95 -0.62 1.67 5.85 -1.22 -0.63 115.31 121.67 1o1n h LEU 106 Ca 0.11 -0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.88 1o1n h LEU 106 Cb 0.12 -0.24 -0.12 0.00 0.37 0.00 0.00 40.66 40.79 1o1n h LEU 106 CO -0.01 0.74 -0.20 1.23 -0.34 0.00 0.00 178.44 179.87 1o1n h GLY 107 N 1.08 0.34 1.33 3.75 0.00 -0.98 0.15 103.07 108.73 1o1n h GLY 107 Ca 0.28 0.26 -0.20 0.00 0.00 0.00 0.00 47.33 47.66 1o1n h GLY 107 CO -0.05 -0.24 -0.73 3.43 0.00 0.00 0.00 176.54 178.95 1o1n h ASN 108 N -0.04 0.78 -0.80 0.19 2.35 -0.79 -2.23 115.58 115.05 1o1n h ASN 108 Ca 0.29 -0.50 0.02 0.00 -0.55 0.00 0.00 56.30 55.56 1o1n h ASN 108 Cb 0.49 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 1o1n h ASN 108 CO -0.66 1.27 0.52 0.58 -1.65 0.00 0.00 177.43 177.49 1o1n h VAL 109 N 0.46 1.17 -0.74 2.81 2.07 -0.74 -1.76 116.25 119.51 1o1n h VAL 109 Ca -0.04 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1o1n h VAL 109 Cb 1.33 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 1o1n h VAL 109 CO 0.14 0.19 0.44 0.25 0.02 0.00 0.00 177.57 178.61 1o1n h LEU 110 N 1.04 0.90 -0.76 2.57 5.85 -0.49 -0.34 115.31 124.07 1o1n h LEU 110 Ca 0.30 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.97 1o1n h LEU 110 Cb -0.06 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.70 1o1n h LEU 110 CO -0.09 0.71 0.50 0.58 -0.34 0.00 0.00 178.44 179.80 1o1n h VAL 111 N 1.02 1.17 -0.97 1.05 2.07 -1.09 -0.40 116.25 119.11 1o1n h VAL 111 Ca 0.27 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1o1n h VAL 111 Cb -0.02 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 29.77 1o1n h VAL 111 CO -0.05 0.18 0.64 0.00 0.02 0.00 0.00 177.57 178.36 1o1n h VAL 113 N 1.26 1.27 -0.78 0.00 2.07 -0.29 -0.33 116.25 119.44 1o1n h VAL 113 Ca 0.37 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.43 1o1n h VAL 113 Cb -0.07 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1o1n h VAL 113 CO -0.10 0.49 0.36 -0.07 0.02 0.00 0.00 177.57 178.27 1o1n h LEU 114 N 0.84 1.03 -0.79 2.57 3.38 -0.86 0.11 115.31 121.59 1o1n h LEU 114 Ca 0.10 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1o1n h LEU 114 Cb 0.85 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1o1n h LEU 114 CO 0.08 0.88 0.24 0.00 0.09 0.00 0.00 178.44 179.73 1o1n h ALA 115 N 1.19 1.02 -0.54 1.53 0.00 -1.00 -1.15 119.26 120.31 1o1n h ALA 115 Ca 0.27 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1o1n h ALA 115 Cb 0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1o1n h ALA 115 CO -0.03 0.66 -0.12 1.25 0.00 0.00 0.00 179.25 181.01 1o1n h HIS 116 N 1.10 1.15 -0.04 0.00 -0.00 -0.56 -0.74 115.15 116.05 1o1n h HIS 116 Ca 0.24 -0.24 -0.21 0.00 -0.00 0.00 0.00 60.37 60.16 1o1n h HIS 116 Cb 0.29 -0.28 0.01 0.00 -0.00 0.00 0.00 27.41 27.44 1o1n h HIS 116 CO 0.02 1.07 -0.79 1.25 -0.00 0.00 0.00 177.93 179.48 1o1n h HIS 117 N 0.91 0.87 0.00 5.26 6.17 -0.78 -3.36 115.15 124.21 1o1n h HIS 117 Ca 0.14 -0.45 0.00 0.00 0.71 0.00 0.00 60.37 60.77 1o1n h HIS 117 Cb 0.69 -0.11 0.00 0.00 2.52 0.00 0.00 27.41 30.51 1o1n h HIS 117 CO 0.05 1.27 -1.03 1.19 0.71 0.00 0.00 177.93 180.11 1o1n n PHE 118 N -4.04 0.01 -0.02 5.26 3.72 -0.45 -5.04 117.46 116.90 1o1n n PHE 118 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1o1n n PHE 118 Cb 0.76 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 39.21 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 1.47 3.31 0.32 1.37 0.00 -0.29 -2.53 105.19 108.85 1o1n n GLY 119 Ca 0.03 -0.07 0.21 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.97 -0.53 116.57 117.78 1o1n h LYS 120 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 1o1n h LYS 120 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1o1n h LYS 120 CO 0.00 0.00 -0.20 1.49 -2.00 0.00 0.00 179.45 178.74 1o1n h GLU 121 N 0.00 0.00 -4.64 0.07 4.81 -1.89 -3.32 114.58 109.61 1o1n h GLU 121 Ca 0.00 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.51 1o1n h GLU 121 Cb 0.10 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.37 1o1n h GLU 121 CO 0.00 0.20 2.13 0.34 -0.73 0.00 0.00 179.01 180.95 1o1n n PHE 122 N -3.53 4.13 -1.73 0.92 7.35 -0.21 -4.95 117.46 119.44 1o1n n PHE 122 Ca -0.01 -3.00 -0.29 0.00 -0.76 0.00 0.00 57.45 53.38 1o1n n PHE 122 Cb 0.35 -2.35 0.09 0.00 0.35 0.00 0.00 39.48 37.93 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 2.43 2.62 0.22 -2.13 -4.23 -1.25 -4.71 115.64 108.58 1o1n s THR 123 Ca 0.46 0.20 -0.08 0.00 -1.18 0.00 0.00 61.69 61.09 1o1n s THR 123 Cb 0.05 -3.08 0.18 0.00 1.34 0.00 0.00 72.50 70.99 1o1n s THR 123 CO 0.01 -0.26 1.71 -0.65 -0.54 0.00 0.00 174.62 174.88 1o1n h PRO 124 N -1.06 0.30 -0.29 3.99 0.11 -1.94 0.89 132.00 134.00 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 1.30 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1o1n h PRO 124 CO 0.63 0.20 -0.18 -1.35 -0.21 0.00 0.00 178.00 177.09 1o1n h PRO 125 N 0.30 0.52 -0.46 1.05 0.11 -1.99 -1.19 132.00 130.34 1o1n h PRO 125 Ca 0.34 -0.17 -0.06 0.00 0.11 0.00 0.00 66.00 66.22 1o1n h PRO 125 Cb 0.50 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 1o1n h PRO 125 CO -0.40 0.68 0.05 0.28 -0.21 0.00 0.00 178.00 178.40 1o1n h VAL 126 N 0.47 1.25 -0.74 3.15 2.07 -1.75 -2.25 116.25 118.45 1o1n h VAL 126 Ca 0.08 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 1o1n h VAL 126 Cb 0.58 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1o1n h VAL 126 CO 0.04 0.33 0.40 -0.61 0.02 0.00 0.00 177.57 177.75 1o1n h GLN 127 N 0.63 1.04 -0.89 1.57 4.15 -0.45 -1.85 115.11 119.31 1o1n h GLN 127 Ca 0.14 -0.12 0.03 0.00 0.77 0.00 0.00 58.65 59.46 1o1n h GLN 127 Cb 0.42 -0.20 -0.05 0.00 0.21 0.00 0.00 27.48 27.86 1o1n h GLN 127 CO 0.01 0.77 0.58 0.00 -1.93 0.00 0.00 178.83 178.27 1o1n h ALA 128 N 1.20 1.42 -0.36 3.38 0.00 -1.04 0.22 119.26 124.08 1o1n h ALA 128 Ca 0.26 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1o1n h ALA 128 Cb 0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1o1n h ALA 128 CO -0.04 0.50 0.05 0.00 0.00 0.00 0.00 179.25 179.76 1o1n h ALA 129 N 1.47 0.48 -0.12 0.00 0.00 -0.98 -2.40 119.26 117.71 1o1n h ALA 129 Ca 0.35 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1o1n h ALA 129 Cb -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1o1n h ALA 129 CO -0.10 0.19 -0.30 1.88 0.00 0.00 0.00 179.25 180.92 1o1n h TYR 130 N 0.44 0.25 -0.54 0.00 0.05 -0.51 -2.13 116.97 114.53 1o1n h TYR 130 Ca 0.11 -0.05 -0.07 0.00 0.05 0.00 0.00 58.73 58.77 1o1n h TYR 130 Cb 0.37 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.02 1o1n h TYR 130 CO 0.03 0.51 0.07 1.96 -1.05 0.00 0.00 178.16 179.67 1o1n h GLN 131 N 0.20 0.88 -0.58 4.88 1.08 -0.40 -0.16 115.11 121.01 1o1n h GLN 131 Ca 0.03 -0.22 -0.06 0.00 -1.45 0.00 0.00 58.65 56.95 1o1n h GLN 131 Cb 0.64 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.94 1o1n h GLN 131 CO 0.05 0.83 0.12 0.87 -0.95 0.00 0.00 178.83 179.75 1o1n h LYS 132 N 0.83 0.93 -0.17 1.46 1.57 -1.10 -2.24 116.57 117.86 1o1n h LYS 132 Ca 0.17 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1o1n h LYS 132 Cb 0.40 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1o1n h LYS 132 CO 0.01 0.88 0.04 0.28 -0.57 0.00 0.00 179.45 180.08 1o1n h VAL 133 N 0.84 1.21 -0.01 0.50 2.07 -0.93 -1.32 116.25 118.60 1o1n h VAL 133 Ca 0.18 -0.67 -0.08 0.00 0.82 0.00 0.00 66.70 66.95 1o1n h VAL 133 Cb 0.38 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1o1n h VAL 133 CO 0.01 0.20 -0.36 -0.37 0.02 0.00 0.00 177.57 177.07 1o1n h VAL 134 N 0.08 1.26 -0.55 2.57 -1.51 -1.03 -0.70 116.25 116.37 1o1n h VAL 134 Ca 0.05 -1.25 -0.12 0.00 -1.23 0.00 0.00 66.70 64.16 1o1n h VAL 134 Cb 0.28 1.65 -0.02 0.00 -2.13 0.00 0.00 31.29 31.08 1o1n h VAL 134 CO 0.00 0.36 -0.11 0.00 -1.23 0.00 0.00 177.57 176.59 1o1n h ALA 135 N 1.62 0.75 -0.38 5.19 0.00 -1.23 -1.54 119.26 123.66 1o1n h ALA 135 Ca 0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1o1n h ALA 135 Cb 0.64 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1o1n h ALA 135 CO 0.05 0.67 0.22 0.78 0.00 0.00 0.00 179.25 180.97 1o1n h GLY 136 N 0.92 0.56 0.86 0.00 0.00 -0.58 -0.58 103.07 104.25 1o1n h GLY 136 Ca 0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 1o1n h GLY 136 CO 0.05 0.23 0.05 -2.08 0.00 0.00 0.00 176.54 174.80 1o1n h VAL 137 N 0.49 1.20 -0.60 4.60 2.07 -1.10 -0.76 116.25 122.15 1o1n h VAL 137 Ca 0.14 -0.63 0.04 0.00 0.82 0.00 0.00 66.70 67.07 1o1n h VAL 137 Cb 0.02 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 1o1n h VAL 137 CO -0.02 0.20 0.34 0.00 0.02 0.00 0.00 177.57 178.10 1o1n h ALA 138 N 0.87 0.78 -0.77 1.67 0.00 -1.15 0.03 119.26 120.70 1o1n h ALA 138 Ca 0.06 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1o1n h ALA 138 Cb 0.25 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1o1n h ALA 138 CO -0.00 0.02 0.34 -0.91 0.00 0.00 0.00 179.25 178.70 1o1n h ASN 139 N 0.64 1.03 -0.82 0.00 2.35 -0.98 -1.80 115.58 115.99 1o1n h ASN 139 Ca 0.26 -0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 1o1n h ASN 139 Cb 0.12 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.19 1o1n h ASN 139 CO -0.15 0.89 0.36 0.00 -1.65 0.00 0.00 177.43 176.88 1o1n h ALA 140 N 1.26 1.08 0.00 -0.83 0.00 -0.47 -2.32 119.26 117.99 1o1n h ALA 140 Ca 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1o1n h ALA 140 Cb 0.16 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1o1n h ALA 140 CO -0.03 0.67 -0.16 -0.07 0.00 0.00 0.00 179.25 179.66 1o1n h LEU 141 N 1.18 0.00 -0.46 0.00 3.38 -0.64 -3.00 115.31 115.77 1o1n h LEU 141 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1o1n h LEU 141 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1o1n h LEU 141 CO -0.03 0.16 -0.38 0.00 0.09 0.00 0.00 178.44 178.29 1o1n n ALA 142 N -2.19 3.33 -0.16 1.53 0.00 -0.71 -4.45 120.51 117.87 1o1n n ALA 142 Ca 0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 53.44 52.96 1o1n n ALA 142 Cb 0.41 -1.06 0.14 0.00 0.00 0.00 0.00 19.45 18.94 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 1.11 0.95 -0.55 0.00 6.17 -1.28 -2.77 115.15 118.78 1o1n h HIS 143 Ca 0.00 -0.11 0.00 0.00 0.71 0.00 0.00 60.37 60.97 1o1n h HIS 143 Cb 0.54 -0.27 0.00 0.00 2.52 0.00 0.00 27.41 30.20 1o1n h HIS 143 CO 0.00 0.81 0.00 1.63 0.71 0.00 0.00 177.93 181.08 1o1n n LYS 144 N -4.24 2.39 -2.10 5.26 4.76 -1.26 -4.93 118.16 118.04 1o1n n LYS 144 Ca 0.04 -2.02 -0.40 0.00 -2.87 0.00 0.00 58.31 53.05 1o1n n LYS 144 Cb 0.26 -1.47 -0.01 0.00 -1.84 0.00 0.00 35.03 31.97 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 -1.32 2.96 0.00 2.13 1.51 -1.05 -4.76 117.35 116.82 1o1n s TYR 145 Ca 0.37 1.42 0.00 0.00 -1.01 0.00 0.00 57.07 57.85 1o1n s TYR 145 Cb 0.20 -3.66 0.00 0.00 -0.11 0.00 0.00 41.96 38.39 1o1n s TYR 145 CO 0.24 -1.92 0.00 -2.39 -1.11 0.00 0.00 175.55 170.37