#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i12 s LEU 3 N 0.00 3.26 0.66 1.04 1.43 -1.26 -5.00 118.68 118.81 1i12 s LEU 3 Ca 0.00 1.71 -0.17 0.00 -1.03 0.00 0.00 54.13 54.63 1i12 s LEU 3 Cb 0.00 -4.51 -0.00 0.00 0.03 0.00 0.00 46.19 41.71 1i12 s LEU 3 CO 0.00 -1.38 1.23 -2.84 0.23 0.00 0.00 176.35 173.59 1i12 s PRO 4 N -4.67 2.56 0.25 1.29 0.02 -1.26 -4.89 135.00 128.30 1i12 s PRO 4 Ca 0.60 1.87 -0.31 0.00 0.02 0.00 0.00 61.00 63.18 1i12 s PRO 4 Cb -0.15 -1.87 -0.13 0.00 0.02 0.00 0.00 34.50 32.37 1i12 s PRO 4 CO 0.48 -1.54 1.35 -0.25 -0.33 0.00 0.00 177.00 176.72 1i12 n ASP 5 N -2.08 2.58 0.00 2.53 8.00 -1.26 -1.55 116.55 124.77 1i12 n ASP 5 Ca 0.14 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.79 1i12 n ASP 5 Cb 0.49 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 1i12 n ASP 5 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i12 n GLY 6 N 1.91 1.45 3.39 0.44 0.00 -1.26 -5.06 105.19 106.05 1i12 n GLY 6 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1i12 n GLY 6 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i12 s PHE 7 N -2.41 2.50 0.11 1.61 0.40 -0.60 -1.36 117.98 118.24 1i12 s PHE 7 Ca 0.00 -0.31 0.00 0.00 -0.60 0.00 0.00 56.93 56.02 1i12 s PHE 7 Cb 0.00 -1.55 -0.04 0.00 0.51 0.00 0.00 43.02 41.93 1i12 s PHE 7 CO 0.00 0.07 -0.02 1.52 0.70 0.00 0.00 175.22 177.50 1i12 s TYR 8 N -0.68 0.84 0.02 0.36 1.13 -0.77 -4.67 117.35 113.58 1i12 s TYR 8 Ca 0.11 -1.05 0.07 0.00 -1.41 0.00 0.00 57.07 54.79 1i12 s TYR 8 Cb -0.10 -0.50 -0.03 0.00 -1.10 0.00 0.00 41.96 40.22 1i12 s TYR 8 CO -0.00 -0.31 -0.20 -1.50 -2.51 0.00 0.00 175.55 171.03 1i12 s ILE 9 N -3.81 2.60 0.19 -3.49 2.07 -1.26 -0.74 121.20 116.76 1i12 s ILE 9 Ca 0.15 -1.16 -0.17 0.00 -1.41 0.00 0.00 60.65 58.06 1i12 s ILE 9 Cb 0.07 -2.05 0.03 0.00 0.13 0.00 0.00 42.46 40.64 1i12 s ILE 9 CO -0.03 0.41 0.52 0.00 -1.91 0.00 0.00 174.94 173.92 1i12 s ARG 10 N -1.21 1.38 0.45 3.50 1.70 -0.74 -5.00 118.95 119.03 1i12 s ARG 10 Ca 0.13 -0.86 -0.25 0.00 -0.47 0.00 0.00 55.73 54.28 1i12 s ARG 10 Cb -0.10 0.52 -0.08 0.00 -0.57 0.00 0.00 34.95 34.72 1i12 s ARG 10 CO 0.03 -0.58 1.39 1.03 -1.08 0.00 0.00 175.30 176.09 1i12 s ARG 11 N -3.87 3.71 0.51 3.89 0.52 -1.26 -1.21 118.95 121.24 1i12 s ARG 11 Ca 0.09 2.33 -0.22 0.00 -0.52 0.00 0.00 55.73 57.41 1i12 s ARG 11 Cb -0.01 -2.64 -0.06 0.00 0.52 0.00 0.00 34.95 32.76 1i12 s ARG 11 CO -0.03 -0.77 1.30 1.41 0.02 0.00 0.00 175.30 177.23 1i12 s MET 12 N -2.44 3.38 0.28 3.54 -2.45 -0.16 -4.75 119.30 116.69 1i12 s MET 12 Ca 0.61 2.09 0.08 0.00 -1.25 0.00 0.00 55.69 57.22 1i12 s MET 12 Cb -0.42 -2.33 -0.06 0.00 1.25 0.00 0.00 34.83 33.27 1i12 s MET 12 CO 0.54 -0.96 -0.09 -1.21 1.05 0.00 0.00 175.02 174.35 1i12 s GLU 13 N -2.81 1.57 0.34 4.11 2.02 -1.26 -5.01 118.70 117.66 1i12 s GLU 13 Ca 0.68 -1.78 0.04 0.00 0.02 0.00 0.00 54.97 53.94 1i12 s GLU 13 Cb -0.37 -1.30 0.67 0.00 0.10 0.00 0.00 34.13 33.23 1i12 s GLU 13 CO 0.44 0.11 1.93 0.93 0.02 0.00 0.00 175.26 178.69 1i12 h GLU 14 N 2.28 0.83 0.00 1.61 3.07 -1.96 -0.71 114.58 119.69 1i12 h GLU 14 Ca -0.40 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 1i12 h GLU 14 Cb 1.24 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 1i12 h GLU 14 CO 0.66 0.55 0.00 0.41 -1.40 0.00 0.00 179.01 179.23 1i12 n GLY 15 N -1.43 -1.05 0.07 -3.84 0.00 -1.26 -2.82 105.19 94.87 1i12 n GLY 15 Ca 0.13 0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.32 1i12 n GLY 15 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1i12 n ASP 16 N -1.96 0.21 -0.08 1.61 8.00 -0.27 -4.50 116.55 119.56 1i12 n ASP 16 Ca 0.02 -1.33 -0.08 0.00 0.71 0.00 0.00 54.79 54.10 1i12 n ASP 16 Cb 0.16 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.22 1i12 n ASP 16 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1i12 h LEU 17 N 0.30 -1.04 -0.18 0.64 5.85 -1.70 0.17 115.31 119.35 1i12 h LEU 17 Ca 0.00 0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1i12 h LEU 17 Cb 0.06 0.47 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1i12 h LEU 17 CO 0.00 -0.33 0.10 -0.08 -0.34 0.00 0.00 178.44 177.79 1i12 h GLU 18 N -0.29 0.25 -0.45 1.25 4.22 -1.90 -0.52 114.58 117.14 1i12 h GLU 18 Ca 0.15 -0.03 -0.12 0.00 0.08 0.00 0.00 59.36 59.44 1i12 h GLU 18 Cb 0.53 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1i12 h GLU 18 CO -0.48 0.24 -0.21 1.96 -2.18 0.00 0.00 179.01 178.34 1i12 h GLN 19 N 0.19 0.90 -0.39 1.92 4.20 -1.82 -2.31 115.11 117.80 1i12 h GLN 19 Ca 0.06 -0.37 -0.12 0.00 0.06 0.00 0.00 58.65 58.28 1i12 h GLN 19 Cb 0.06 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1i12 h GLN 19 CO -0.01 1.02 -0.25 0.28 -0.67 0.00 0.00 178.83 179.20 1i12 h VAL 20 N 0.78 1.27 -0.37 -0.54 2.07 -0.87 -1.31 116.25 117.28 1i12 h VAL 20 Ca 0.11 -1.38 0.01 0.00 0.82 0.00 0.00 66.70 66.26 1i12 h VAL 20 Cb 0.76 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1i12 h VAL 20 CO 0.06 0.46 0.24 0.74 0.02 0.00 0.00 177.57 179.09 1i12 h THR 21 N 0.69 1.07 -0.36 2.57 2.02 -0.96 -0.37 112.91 117.57 1i12 h THR 21 Ca 0.09 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 67.02 1i12 h THR 21 Cb 0.77 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1i12 h THR 21 CO 0.06 0.09 -0.14 -0.33 0.37 0.00 0.00 175.52 175.57 1i12 h GLU 22 N 0.48 0.64 -0.33 6.66 4.39 -1.16 -2.99 114.58 122.26 1i12 h GLU 22 Ca 0.14 -0.21 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 1i12 h GLU 22 Cb -0.03 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1i12 h GLU 22 CO -0.04 0.75 -0.06 1.15 -1.16 0.00 0.00 179.01 179.65 1i12 h THR 23 N 0.58 1.27 0.00 1.13 2.02 -0.81 -2.90 112.91 114.20 1i12 h THR 23 Ca 0.10 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.18 1i12 h THR 23 Cb 0.57 1.31 -0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1i12 h THR 23 CO 0.04 0.36 -0.03 -0.07 0.37 0.00 0.00 175.52 176.19 1i12 h LEU 24 N 0.42 0.00 -1.44 2.58 3.38 -0.98 -2.39 115.31 116.87 1i12 h LEU 24 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1i12 h LEU 24 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1i12 h LEU 24 CO 0.03 0.03 0.00 0.11 0.09 0.00 0.00 178.44 178.70 1i12 h LYS 25 N 0.00 0.00 0.00 1.13 1.57 -1.37 0.71 116.57 118.61 1i12 h LYS 25 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1i12 h LYS 25 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1i12 h LYS 25 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 179.45 178.64 1i12 h VAL 26 N 0.00 0.00 0.00 0.50 3.04 -1.59 -3.31 116.25 114.89 1i12 h VAL 26 Ca 0.00 -0.39 -0.37 0.00 -1.01 0.00 0.00 66.70 64.93 1i12 h VAL 26 Cb 0.17 1.25 -0.06 0.00 -2.01 0.00 0.00 31.29 30.65 1i12 h VAL 26 CO 0.00 0.00 -2.22 -0.11 -1.01 0.00 0.00 177.57 174.23 1i12 n LEU 27 N -2.36 1.91 0.00 3.16 7.94 0.16 -5.05 117.00 122.75 1i12 n LEU 27 Ca 0.03 0.33 -0.03 0.00 -1.11 0.00 0.00 56.01 55.23 1i12 n LEU 27 Cb 0.33 -0.78 0.01 0.00 0.53 0.00 0.00 43.42 43.51 1i12 n LEU 27 CO 0.25 0.40 0.35 1.07 -1.11 0.00 0.00 177.39 178.35 1i12 n THR 28 N -4.26 0.00 -2.38 1.96 5.66 -0.69 -5.14 114.28 109.43 1i12 n THR 28 Ca -0.46 -0.41 -0.42 0.00 -3.05 0.00 0.00 64.05 59.72 1i12 n THR 28 Cb 0.81 0.46 -0.03 0.00 -1.55 0.00 0.00 70.33 70.02 1i12 n THR 28 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1i12 s THR 29 N -2.43 3.77 -0.24 1.09 2.01 -1.26 -4.06 115.64 114.52 1i12 s THR 29 Ca 0.10 1.35 -0.07 0.00 0.31 0.00 0.00 61.69 63.37 1i12 s THR 29 Cb -0.02 -3.86 -0.12 0.00 0.01 0.00 0.00 72.50 68.50 1i12 s THR 29 CO 0.05 0.15 -0.28 0.52 -0.69 0.00 0.00 174.62 174.37 1i12 n VAL 30 N 3.35 1.34 -2.77 3.82 0.31 -1.26 -5.04 118.33 118.07 1i12 n VAL 30 Ca 0.07 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1i12 n VAL 30 Cb 0.45 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 1i12 n VAL 30 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1i12 n GLY 31 N 1.78 -1.71 3.64 2.92 0.00 -1.26 -4.83 105.19 105.73 1i12 n GLY 31 Ca -0.46 -1.55 -0.40 0.00 0.00 0.00 0.00 46.02 43.62 1i12 n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i12 s THR 32 N 0.00 5.09 -0.09 2.61 2.01 -1.26 -5.06 115.64 118.95 1i12 s THR 32 Ca 0.00 0.89 0.00 0.00 0.31 0.00 0.00 61.69 62.89 1i12 s THR 32 Cb 0.00 -3.83 0.02 0.00 0.01 0.00 0.00 72.50 68.71 1i12 s THR 32 CO 0.00 0.13 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.36 1i12 s ILE 33 N 2.02 0.86 0.44 1.82 1.01 -1.26 -5.14 121.20 120.95 1i12 s ILE 33 Ca 0.22 -0.23 -0.14 0.00 0.00 0.00 0.00 60.65 60.50 1i12 s ILE 33 Cb -0.15 -0.88 -0.08 0.00 0.01 0.00 0.00 42.46 41.35 1i12 s ILE 33 CO 0.09 0.33 0.86 0.42 0.00 0.00 0.00 174.94 176.64 1i12 s THR 34 N 1.45 4.65 0.33 2.92 -4.23 -1.26 -4.94 115.64 114.56 1i12 s THR 34 Ca -0.01 0.95 0.04 0.00 -1.18 0.00 0.00 61.69 61.48 1i12 s THR 34 Cb -0.13 -3.70 0.29 0.00 1.34 0.00 0.00 72.50 70.29 1i12 s THR 34 CO -0.04 -0.53 1.93 -0.65 -0.54 0.00 0.00 174.62 174.79 1i12 h PRO 35 N 1.29 0.85 -0.16 3.99 0.11 -2.00 -1.52 132.00 134.56 1i12 h PRO 35 Ca -0.47 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 1i12 h PRO 35 Cb 1.18 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1i12 h PRO 35 CO 0.63 0.56 0.09 1.49 -0.21 0.00 0.00 178.00 180.56 1i12 h GLU 36 N 0.87 0.23 -0.80 1.05 4.81 -2.00 -1.08 114.58 117.66 1i12 h GLU 36 Ca 0.35 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.52 1i12 h GLU 36 Cb 0.25 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 1i12 h GLU 36 CO -0.13 0.22 0.37 0.77 -0.73 0.00 0.00 179.01 179.51 1i12 h SER 37 N 0.17 1.07 -0.32 1.04 0.02 -1.82 -2.58 113.55 111.12 1i12 h SER 37 Ca 0.06 -0.15 -0.12 0.00 -0.84 0.00 0.00 61.79 60.74 1i12 h SER 37 Cb 0.06 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1i12 h SER 37 CO -0.01 0.91 -0.23 0.15 -1.14 0.00 0.00 176.83 176.51 1i12 h PHE 38 N 1.15 0.92 -0.91 3.45 3.57 -1.11 -1.30 116.94 122.72 1i12 h PHE 38 Ca 0.27 -0.22 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1i12 h PHE 38 Cb 0.14 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 38.62 1i12 h PHE 38 CO 0.01 0.96 0.60 0.00 -2.23 0.00 0.00 178.31 177.66 1i12 h LYS 40 N 1.23 0.99 -0.60 0.00 1.57 -1.07 -1.99 116.57 116.71 1i12 h LYS 40 Ca 0.33 -0.45 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1i12 h LYS 40 Cb -0.14 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1i12 h LYS 40 CO -0.07 1.12 0.31 1.25 -0.57 0.00 0.00 179.45 181.49 1i12 h LEU 41 N 0.84 0.76 -0.92 2.94 5.85 -0.87 -1.69 115.31 122.22 1i12 h LEU 41 Ca 0.10 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 1i12 h LEU 41 Cb 0.85 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1i12 h LEU 41 CO 0.08 0.66 -0.22 0.40 -0.34 0.00 0.00 178.44 179.01 1i12 h ILE 42 N 0.81 1.26 -0.62 4.05 1.08 -1.06 -0.21 117.51 122.82 1i12 h ILE 42 Ca 0.21 -1.23 -0.07 0.00 -0.39 0.00 0.00 64.86 63.37 1i12 h ILE 42 Cb 0.08 1.28 -0.02 0.00 -3.07 0.00 0.00 36.82 35.09 1i12 h ILE 42 CO -0.03 0.40 0.11 0.50 -0.69 0.00 0.00 178.15 178.43 1i12 h LYS 43 N 0.48 1.03 -0.11 2.37 3.64 -1.10 0.21 116.57 123.08 1i12 h LYS 43 Ca 0.07 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 1i12 h LYS 43 Cb 0.65 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1i12 h LYS 43 CO 0.05 0.96 0.03 -0.92 -2.27 0.00 0.00 179.45 177.29 1i12 h TYR 44 N 0.94 0.18 0.00 1.91 3.20 -0.92 -2.42 116.97 119.87 1i12 h TYR 44 Ca 0.19 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1i12 h TYR 44 Cb 0.42 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 1i12 h TYR 44 CO 0.03 0.34 -0.04 -1.49 -1.64 0.00 0.00 178.16 175.37 1i12 h TRP 45 N -0.03 0.00 -0.02 -3.82 6.55 -0.86 -1.98 115.95 115.79 1i12 h TRP 45 Ca 0.03 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.87 1i12 h TRP 45 Cb 0.25 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.55 1i12 h TRP 45 CO 0.01 0.04 -0.06 0.09 -1.05 0.00 0.00 178.44 177.47 1i12 n ASN 46 N -4.08 1.62 -0.01 -3.49 3.02 0.04 -4.30 115.26 108.07 1i12 n ASN 46 Ca -0.03 -1.46 -0.01 0.00 -0.03 0.00 0.00 54.58 53.05 1i12 n ASN 46 Cb 0.12 0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.31 1i12 n ASN 46 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1i12 n GLU 47 N 0.18 2.88 -1.98 3.52 1.02 -0.90 -5.01 120.64 120.36 1i12 n GLU 47 Ca 0.17 -0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.88 1i12 n GLU 47 Cb 0.39 -1.06 -0.03 0.00 -0.02 0.00 0.00 31.44 30.72 1i12 n GLU 47 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i12 s ALA 48 N -2.08 3.62 0.16 0.62 0.00 -0.80 -4.99 121.76 118.29 1i12 s ALA 48 Ca -0.01 0.99 0.10 0.00 0.00 0.00 0.00 51.96 53.03 1i12 s ALA 48 Cb 0.01 -3.75 -0.04 0.00 0.00 0.00 0.00 23.12 19.34 1i12 s ALA 48 CO 0.10 -1.38 -0.22 0.95 0.00 0.00 0.00 175.76 175.20 1i12 s THR 49 N 3.95 2.07 -0.20 0.00 -4.23 -1.26 -1.76 115.64 114.21 1i12 s THR 49 Ca 0.75 -1.87 -0.12 0.00 -1.18 0.00 0.00 61.69 59.26 1i12 s THR 49 Cb -0.34 -1.92 -0.05 0.00 1.34 0.00 0.00 72.50 71.53 1i12 s THR 49 CO 0.31 -0.14 0.24 -0.69 -0.54 0.00 0.00 174.62 173.80 1i12 s VAL 50 N -1.61 5.32 0.18 2.29 1.01 -0.26 -4.78 120.40 122.55 1i12 s VAL 50 Ca 0.16 0.39 -0.33 0.00 0.00 0.00 0.00 61.98 62.20 1i12 s VAL 50 Cb -0.08 -3.58 -0.15 0.00 0.00 0.00 0.00 36.38 32.57 1i12 s VAL 50 CO 0.07 0.36 1.28 1.87 0.00 0.00 0.00 175.10 178.69 1i12 n TRP 51 N 3.97 1.64 0.00 5.22 -0.00 -1.26 -4.44 117.44 122.57 1i12 n TRP 51 Ca -0.13 0.57 0.00 0.00 -0.00 0.00 0.00 57.50 57.95 1i12 n TRP 51 Cb 0.52 -2.36 0.00 0.00 -0.00 0.00 0.00 31.31 29.47 1i12 n TRP 51 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 1i12 n ASN 52 N 2.22 0.00 0.00 5.87 0.23 -1.26 -5.06 115.26 117.27 1i12 n ASN 52 Ca 0.15 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.20 1i12 n ASN 52 Cb 0.26 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.96 1i12 n ASN 52 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1i12 n LYS 57 N 0.00 0.00 -2.81 -3.83 0.00 -1.26 -5.17 118.16 105.09 1i12 n LYS 57 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.90 1i12 n LYS 57 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.00 1i12 n LYS 57 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1i12 s LYS 58 N 0.00 4.45 -0.29 -1.58 2.20 -1.26 -5.04 119.74 118.22 1i12 s LYS 58 Ca 0.00 1.22 -0.07 0.00 -0.36 0.00 0.00 55.97 56.76 1i12 s LYS 58 Cb 0.00 -3.50 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 1i12 s LYS 58 CO 0.00 -0.14 0.08 0.42 -0.36 0.00 0.00 175.35 175.35 1i12 s ILE 59 N 1.41 4.03 0.05 5.43 1.01 -1.26 -5.06 121.20 126.81 1i12 s ILE 59 Ca 0.45 -0.62 -0.28 0.00 0.00 0.00 0.00 60.65 60.21 1i12 s ILE 59 Cb -0.19 -3.05 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 1i12 s ILE 59 CO 0.20 0.11 0.87 -0.04 0.00 0.00 0.00 174.94 176.09 1i12 s MET 60 N 1.52 4.58 0.18 2.79 -1.94 -1.26 -1.10 119.30 124.06 1i12 s MET 60 Ca 0.03 1.26 -0.12 0.00 -1.71 0.00 0.00 55.69 55.15 1i12 s MET 60 Cb -0.17 -3.40 0.08 0.00 2.01 0.00 0.00 34.83 33.36 1i12 s MET 60 CO 0.03 0.17 1.75 0.37 -0.01 0.00 0.00 175.02 177.33 1i12 h GLN 61 N 5.97 0.90 -6.03 2.03 4.15 -1.65 -3.42 115.11 117.07 1i12 h GLN 61 Ca -0.43 -0.15 -0.68 0.00 0.77 0.00 0.00 58.65 58.17 1i12 h GLN 61 Cb 1.21 -0.15 -0.15 0.00 0.21 0.00 0.00 27.48 28.59 1i12 h GLN 61 CO 0.72 0.74 -0.64 0.71 -1.93 0.00 0.00 178.83 178.44 1i12 s TYR 62 N -5.64 3.11 -0.39 3.99 1.51 -1.26 -0.57 117.35 118.10 1i12 s TYR 62 Ca -0.13 0.15 0.08 0.00 -1.01 0.00 0.00 57.07 56.16 1i12 s TYR 62 Cb 0.13 -1.76 0.25 0.00 -0.11 0.00 0.00 41.96 40.47 1i12 s TYR 62 CO 0.79 0.45 0.53 0.09 -1.11 0.00 0.00 175.55 176.30 1i12 n ASN 63 N 2.06 0.12 -4.69 2.29 3.02 -0.94 -4.91 115.26 112.20 1i12 n ASN 63 Ca -0.18 -2.71 -0.42 0.00 -0.03 0.00 0.00 54.58 51.24 1i12 n ASN 63 Cb 0.53 -0.59 -0.03 0.00 -0.61 0.00 0.00 39.78 39.08 1i12 n ASN 63 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1i12 s PRO 64 N -1.17 4.39 0.13 3.52 0.04 -1.26 -3.25 135.00 137.40 1i12 s PRO 64 Ca 0.35 1.62 0.10 0.00 0.04 0.00 0.00 61.00 63.11 1i12 s PRO 64 Cb 0.17 -3.51 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 1i12 s PRO 64 CO -0.11 -0.36 -0.25 -1.64 0.04 0.00 0.00 177.00 174.68 1i12 s MET 65 N 1.88 1.34 0.00 4.56 -1.94 0.55 -0.99 119.30 124.71 1i12 s MET 65 Ca 0.55 -1.33 0.05 0.00 -1.71 0.00 0.00 55.69 53.25 1i12 s MET 65 Cb -0.24 -1.73 -0.02 0.00 2.01 0.00 0.00 34.83 34.85 1i12 s MET 65 CO 0.23 0.40 -0.16 0.14 -0.01 0.00 0.00 175.02 175.62 1i12 s VAL 66 N -1.22 1.27 -0.20 -6.03 -7.23 -0.35 -1.95 120.40 104.69 1i12 s VAL 66 Ca 0.13 -0.80 -0.10 0.00 -1.81 0.00 0.00 61.98 59.40 1i12 s VAL 66 Cb -0.09 -1.08 -0.05 0.00 0.56 0.00 0.00 36.38 35.72 1i12 s VAL 66 CO 0.06 0.27 0.12 -0.63 -0.31 0.00 0.00 175.10 174.61 1i12 s ILE 67 N -0.51 5.32 -0.12 -0.62 1.01 -0.09 -1.79 121.20 124.41 1i12 s ILE 67 Ca 0.05 0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.88 1i12 s ILE 67 Cb -0.07 -3.43 -0.01 0.00 0.01 0.00 0.00 42.46 38.96 1i12 s ILE 67 CO 0.00 0.43 -0.17 -0.69 0.00 0.00 0.00 174.94 174.51 1i12 s VAL 68 N 0.44 2.65 -0.70 2.92 1.01 0.08 -0.06 120.40 126.74 1i12 s VAL 68 Ca 0.07 -0.81 -0.25 0.00 0.00 0.00 0.00 61.98 60.99 1i12 s VAL 68 Cb -0.11 -2.08 0.05 0.00 0.00 0.00 0.00 36.38 34.24 1i12 s VAL 68 CO -0.01 0.54 1.14 -0.62 0.00 0.00 0.00 175.10 176.15 1i12 s ASP 69 N 0.31 6.17 0.45 3.32 -1.08 0.43 -1.86 116.67 124.43 1i12 s ASP 69 Ca -0.13 -0.67 0.13 0.00 -0.52 0.00 0.00 52.55 51.36 1i12 s ASP 69 Cb -0.17 -2.50 1.06 0.00 -1.46 0.00 0.00 42.92 39.86 1i12 s ASP 69 CO 0.07 -1.65 2.04 0.50 0.52 0.00 0.00 175.17 176.64 1i12 h LYS 70 N 9.81 0.33 -0.89 4.34 1.63 -1.52 0.33 116.57 130.60 1i12 h LYS 70 Ca -0.28 -0.02 0.13 0.00 -0.85 0.00 0.00 60.65 59.62 1i12 h LYS 70 Cb 1.06 -0.07 -0.09 0.00 -0.60 0.00 0.00 32.23 32.53 1i12 h LYS 70 CO 1.23 0.22 0.51 -0.09 -3.45 0.00 0.00 179.45 177.87 1i12 h ARG 71 N 0.34 0.76 0.00 1.90 2.43 -1.92 -2.13 114.38 115.75 1i12 h ARG 71 Ca 0.19 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1i12 h ARG 71 Cb 0.31 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1i12 h ARG 71 CO -0.04 0.50 -0.02 0.25 -1.51 0.00 0.00 179.97 179.15 1i12 n THR 72 N -4.76 1.22 -3.95 0.20 -2.24 -1.11 -5.00 114.28 98.65 1i12 n THR 72 Ca 0.17 -1.36 -0.29 0.00 -2.27 0.00 0.00 64.05 60.30 1i12 n THR 72 Cb 0.37 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1i12 n THR 72 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1i12 n GLU 73 N -0.79 -4.32 -4.02 -0.78 -0.58 0.05 -4.96 120.64 105.24 1i12 n GLU 73 Ca 0.06 0.50 -0.35 0.00 -0.42 0.00 0.00 57.16 56.95 1i12 n GLU 73 Cb 0.42 -5.10 -0.10 0.00 -0.57 0.00 0.00 31.44 26.09 1i12 n GLU 73 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1i12 s THR 74 N -3.53 4.78 -0.19 2.62 2.01 -0.88 -4.92 115.64 115.54 1i12 s THR 74 Ca 0.39 -0.04 -0.29 0.00 0.31 0.00 0.00 61.69 62.06 1i12 s THR 74 Cb -0.20 -3.14 -0.02 0.00 0.01 0.00 0.00 72.50 69.14 1i12 s THR 74 CO 0.86 0.47 1.47 -0.69 -0.69 0.00 0.00 174.62 176.05 1i12 s VAL 75 N 0.26 3.91 -0.07 3.82 1.01 -1.26 -0.43 120.40 127.65 1i12 s VAL 75 Ca 0.04 1.07 0.14 0.00 0.00 0.00 0.00 61.98 63.22 1i12 s VAL 75 Cb -0.12 -3.82 -0.20 0.00 0.00 0.00 0.00 36.38 32.23 1i12 s VAL 75 CO 0.00 -0.24 0.70 0.00 0.00 0.00 0.00 175.10 175.57 1i12 n ALA 76 N 7.53 1.62 -3.44 5.51 0.00 0.91 -4.85 120.51 127.79 1i12 n ALA 76 Ca 0.16 -0.71 -0.13 0.00 0.00 0.00 0.00 53.44 52.77 1i12 n ALA 76 Cb 0.45 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 1i12 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i12 s ALA 77 N -2.69 -1.65 0.02 0.00 0.00 -1.15 -1.13 121.76 115.17 1i12 s ALA 77 Ca -0.04 0.68 -0.05 0.00 0.00 0.00 0.00 51.96 52.54 1i12 s ALA 77 Cb 0.08 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.88 1i12 s ALA 77 CO 0.82 -0.69 0.09 -0.08 0.00 0.00 0.00 175.76 175.90 1i12 s THR 78 N -3.26 0.12 0.17 0.00 -1.32 0.09 -0.91 115.64 110.53 1i12 s THR 78 Ca -0.01 -0.95 -0.24 0.00 -1.21 0.00 0.00 61.69 59.28 1i12 s THR 78 Cb -0.01 -0.68 0.06 0.00 -1.51 0.00 0.00 72.50 70.36 1i12 s THR 78 CO -0.09 -0.53 0.79 -0.83 -2.21 0.00 0.00 174.62 171.75 1i12 s GLY 79 N -1.82 -0.31 0.03 6.08 0.00 -0.82 -1.55 107.32 108.93 1i12 s GLY 79 Ca -0.09 0.19 -0.03 0.00 0.00 0.00 0.00 44.72 44.80 1i12 s GLY 79 CO -0.02 0.06 0.02 0.21 0.00 0.00 0.00 173.10 173.37 1i12 s ASN 80 N -2.82 0.26 -0.06 1.64 3.84 -0.62 -0.33 114.94 116.85 1i12 s ASN 80 Ca 0.08 -0.61 0.01 0.00 0.21 0.00 0.00 52.86 52.54 1i12 s ASN 80 Cb -0.03 0.17 0.02 0.00 -0.55 0.00 0.00 41.25 40.87 1i12 s ASN 80 CO -0.01 -0.45 -0.05 -0.51 -2.79 0.00 0.00 177.10 173.29 1i12 s ILE 81 N -2.44 0.68 -0.17 -5.21 2.07 -1.20 -1.10 121.20 113.83 1i12 s ILE 81 Ca -0.07 -0.16 -0.06 0.00 -1.41 0.00 0.00 60.65 58.95 1i12 s ILE 81 Cb -0.02 -0.71 -0.04 0.00 0.13 0.00 0.00 42.46 41.82 1i12 s ILE 81 CO -0.04 0.28 0.04 -0.63 -1.91 0.00 0.00 174.94 172.67 1i12 s ILE 82 N 1.21 4.58 -0.19 2.00 1.09 -0.02 -2.21 121.20 127.66 1i12 s ILE 82 Ca -0.06 -0.11 -0.08 0.00 -1.10 0.00 0.00 60.65 59.29 1i12 s ILE 82 Cb -0.14 -3.04 -0.04 0.00 -1.06 0.00 0.00 42.46 38.18 1i12 s ILE 82 CO -0.02 0.48 0.09 -0.63 -0.10 0.00 0.00 174.94 174.76 1i12 s ILE 83 N 0.26 5.01 -0.09 2.92 -1.09 0.26 -0.46 121.20 128.01 1i12 s ILE 83 Ca 0.02 0.05 0.04 0.00 -2.23 0.00 0.00 60.65 58.53 1i12 s ILE 83 Cb -0.13 -3.27 -0.00 0.00 -1.58 0.00 0.00 42.46 37.48 1i12 s ILE 83 CO 0.01 0.45 -0.23 -0.70 -1.23 0.00 0.00 174.94 173.24 1i12 s GLU 84 N 0.38 2.87 -0.15 2.79 2.12 -0.24 -4.78 118.70 121.69 1i12 s GLU 84 Ca 0.05 -0.84 -0.15 0.00 0.36 0.00 0.00 54.97 54.39 1i12 s GLU 84 Cb -0.12 -2.20 -0.05 0.00 0.26 0.00 0.00 34.13 32.03 1i12 s GLU 84 CO -0.01 0.19 0.33 0.50 -0.54 0.00 0.00 175.26 175.73 1i12 s ARG 85 N 0.31 4.26 0.54 4.30 6.06 -1.26 -0.89 118.95 132.26 1i12 s ARG 85 Ca -0.17 0.16 0.03 0.00 -2.50 0.00 0.00 55.73 53.26 1i12 s ARG 85 Cb -0.17 -3.42 0.03 0.00 0.06 0.00 0.00 34.95 31.45 1i12 s ARG 85 CO 0.08 0.23 0.26 1.63 -2.50 0.00 0.00 175.30 175.00 1i12 n LYS 86 N 3.56 0.71 -0.08 5.12 5.02 0.79 -5.01 118.16 128.27 1i12 n LYS 86 Ca -0.11 -3.54 -0.22 0.00 -2.02 0.00 0.00 58.31 52.42 1i12 n LYS 86 Cb 0.52 0.59 -0.12 0.00 -0.02 0.00 0.00 35.03 36.00 1i12 n LYS 86 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1i12 n ILE 87 N -1.60 1.61 -0.74 -0.18 5.41 -1.26 -3.43 119.36 119.17 1i12 n ILE 87 Ca -0.09 -0.41 -0.32 0.00 1.00 0.00 0.00 62.75 62.93 1i12 n ILE 87 Cb 0.63 -1.79 0.16 0.00 -0.71 0.00 0.00 39.64 37.93 1i12 n ILE 87 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1i12 n ILE 88 N -3.85 0.25 -3.61 1.39 -5.35 -1.26 -0.99 119.36 105.94 1i12 n ILE 88 Ca -0.39 -0.05 -0.23 0.00 -0.27 0.00 0.00 62.75 61.81 1i12 n ILE 88 Cb 0.90 -0.97 0.07 0.00 -1.74 0.00 0.00 39.64 37.91 1i12 n ILE 88 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1i12 n HIS 89 N -4.05 -2.49 -3.52 4.28 8.25 -1.26 -1.14 115.22 115.30 1i12 n HIS 89 Ca 0.11 0.96 -0.23 0.00 -0.26 0.00 0.00 57.72 58.30 1i12 n HIS 89 Cb 0.52 -4.82 0.04 0.00 1.12 0.00 0.00 29.99 26.84 1i12 n HIS 89 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1i12 n GLU 90 N -4.62 -1.44 -3.62 -0.41 1.02 -1.21 -2.46 120.64 107.89 1i12 n GLU 90 Ca -0.11 0.73 -0.20 0.00 -0.02 0.00 0.00 57.16 57.56 1i12 n GLU 90 Cb 0.60 -4.49 0.05 0.00 -0.02 0.00 0.00 31.44 27.58 1i12 n GLU 90 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1i12 n LEU 91 N -3.46 -3.41 -4.78 -4.62 4.77 -0.16 -4.96 117.00 100.39 1i12 n LEU 91 Ca -0.10 -0.78 -0.30 0.00 -0.03 0.00 0.00 56.01 54.80 1i12 n LEU 91 Cb 0.59 -2.78 0.10 0.00 -2.33 0.00 0.00 43.42 39.00 1i12 n LEU 91 CO 0.63 0.39 0.70 -0.83 -1.33 0.00 0.00 177.39 176.95 1i12 s GLY 92 N -4.29 1.63 -0.14 -0.72 0.00 -0.29 -4.61 107.32 98.91 1i12 s GLY 92 Ca 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 44.72 44.65 1i12 s GLY 92 CO 0.79 0.35 0.00 1.08 0.00 0.00 0.00 173.10 175.33 1i12 s LEU 93 N -5.88 3.50 -0.08 0.66 1.43 -1.26 -0.15 118.68 116.89 1i12 s LEU 93 Ca 0.61 0.00 0.05 0.00 -1.03 0.00 0.00 54.13 53.77 1i12 s LEU 93 Cb -0.16 -1.84 -0.00 0.00 0.03 0.00 0.00 46.19 44.22 1i12 s LEU 93 CO 0.55 0.23 -0.24 0.00 0.23 0.00 0.00 176.35 177.12 1i12 s GLY 95 N 0.10 2.09 -0.26 0.00 0.00 -0.60 -1.07 107.32 107.59 1i12 s GLY 95 Ca -0.12 -0.77 0.02 0.00 0.00 0.00 0.00 44.72 43.85 1i12 s GLY 95 CO 0.07 -0.60 -0.06 0.30 0.00 0.00 0.00 173.10 172.81 1i12 s HIS 96 N -1.16 2.81 0.06 1.90 3.76 0.39 -0.74 115.29 122.30 1i12 s HIS 96 Ca 0.21 -2.07 -0.27 0.00 -0.15 0.00 0.00 55.06 52.78 1i12 s HIS 96 Cb -0.12 -1.83 -0.05 0.00 1.11 0.00 0.00 32.58 31.69 1i12 s HIS 96 CO 0.12 -0.83 0.83 0.42 -0.85 0.00 0.00 174.74 174.43 1i12 s ILE 97 N 1.25 4.69 0.04 0.60 1.01 -0.05 -0.84 121.20 127.91 1i12 s ILE 97 Ca -0.05 1.77 -0.04 0.00 0.00 0.00 0.00 60.65 62.33 1i12 s ILE 97 Cb -0.19 -4.18 -0.02 0.00 0.01 0.00 0.00 42.46 38.08 1i12 s ILE 97 CO -0.06 0.33 0.07 -1.61 0.00 0.00 0.00 174.94 173.67 1i12 s GLU 98 N 0.07 0.60 -1.15 2.79 0.41 -0.26 -4.55 118.70 116.61 1i12 s GLU 98 Ca 0.42 -0.87 -0.11 0.00 -0.41 0.00 0.00 54.97 54.00 1i12 s GLU 98 Cb -0.21 0.23 -0.03 0.00 -1.78 0.00 0.00 34.13 32.34 1i12 s GLU 98 CO 0.25 -0.15 0.82 -0.25 -0.49 0.00 0.00 175.26 175.44 1i12 n ASP 99 N 0.59 -4.73 -4.67 -0.19 8.00 -1.26 -1.58 116.55 112.71 1i12 n ASP 99 Ca -0.18 -0.86 -0.40 0.00 0.71 0.00 0.00 54.79 54.06 1i12 n ASP 99 Cb 0.59 -4.18 -0.06 0.00 -0.02 0.00 0.00 41.12 37.45 1i12 n ASP 99 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1i12 s ILE 100 N -3.49 5.07 -0.15 0.53 -1.09 -1.26 -4.00 121.20 116.81 1i12 s ILE 100 Ca 0.35 1.09 -0.09 0.00 -2.23 0.00 0.00 60.65 59.77 1i12 s ILE 100 Cb -0.09 -3.90 0.05 0.00 -1.58 0.00 0.00 42.46 36.94 1i12 s ILE 100 CO 0.81 0.16 0.37 0.00 -1.23 0.00 0.00 174.94 175.04 1i12 s ALA 101 N 1.68 -0.92 -0.12 9.38 0.00 -0.60 -4.88 121.76 126.30 1i12 s ALA 101 Ca 0.27 1.35 0.02 0.00 0.00 0.00 0.00 51.96 53.59 1i12 s ALA 101 Cb -0.16 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 1i12 s ALA 101 CO 0.10 -0.24 -0.18 0.08 0.00 0.00 0.00 175.76 175.52 1i12 s VAL 102 N 1.22 2.57 0.45 0.00 1.01 -1.26 -0.73 120.40 123.66 1i12 s VAL 102 Ca -0.08 -0.83 -0.25 0.00 0.00 0.00 0.00 61.98 60.81 1i12 s VAL 102 Cb -0.08 -2.04 -0.08 0.00 0.00 0.00 0.00 36.38 34.17 1i12 s VAL 102 CO -0.10 0.54 1.40 0.59 0.00 0.00 0.00 175.10 177.53 1i12 n ASN 103 N 3.58 3.16 -0.25 3.32 4.13 -0.28 -4.75 115.26 124.17 1i12 n ASN 103 Ca -0.19 1.11 0.05 0.00 1.68 0.00 0.00 54.58 57.24 1i12 n ASN 103 Cb 0.53 -1.58 0.16 0.00 -1.54 0.00 0.00 39.78 37.34 1i12 n ASN 103 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 1i12 h SER 104 N 2.22 -0.24 0.31 6.41 0.87 -1.96 0.59 113.55 121.74 1i12 h SER 104 Ca -0.50 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1i12 h SER 104 Cb 1.28 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 63.53 1i12 h SER 104 CO 0.61 -0.14 0.00 0.11 -0.53 0.00 0.00 176.83 176.88 1i12 h LYS 105 N 0.14 0.00 -0.03 2.24 6.56 -1.96 -2.42 116.57 121.10 1i12 h LYS 105 Ca 0.41 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.00 1i12 h LYS 105 Cb 0.71 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.37 1i12 h LYS 105 CO -0.61 0.00 0.00 0.66 -2.06 0.00 0.00 179.45 177.44 1i12 n TYR 106 N -2.44 0.01 -2.01 -1.35 4.01 0.15 -5.02 117.16 110.52 1i12 n TYR 106 Ca -0.00 -0.01 -0.33 0.00 -0.16 0.00 0.00 57.90 57.39 1i12 n TYR 106 Cb 0.12 -0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.17 1i12 n TYR 106 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1i12 s GLN 107 N -1.09 3.18 -0.61 -0.72 -0.21 -0.88 -3.85 119.66 115.49 1i12 s GLN 107 Ca 0.16 1.32 0.00 0.00 0.02 0.00 0.00 55.36 56.86 1i12 s GLN 107 Cb 0.11 -2.01 0.00 0.00 1.00 0.00 0.00 33.01 32.11 1i12 s GLN 107 CO 0.16 -0.94 0.00 0.41 -2.12 0.00 0.00 175.29 172.81 1i12 n GLY 108 N -0.66 0.68 0.10 3.09 0.00 -1.26 -4.90 105.19 102.23 1i12 n GLY 108 Ca 0.10 -0.75 0.01 0.00 0.00 0.00 0.00 46.02 45.37 1i12 n GLY 108 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i12 n GLN 109 N -2.55 2.15 -0.83 1.61 6.02 -1.25 -4.98 117.38 117.55 1i12 n GLN 109 Ca -0.06 -1.37 0.00 0.00 -0.01 0.00 0.00 57.00 55.56 1i12 n GLN 109 Cb 0.28 -1.04 0.00 0.00 1.02 0.00 0.00 30.24 30.49 1i12 n GLN 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1i12 n GLY 110 N -0.24 0.86 0.19 1.08 0.00 -1.26 -4.94 105.19 100.89 1i12 n GLY 110 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 1i12 n GLY 110 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1i12 h LEU 111 N 0.00 0.36 -0.23 0.99 3.38 -1.94 -1.86 115.31 116.00 1i12 h LEU 111 Ca 0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1i12 h LEU 111 Cb 0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1i12 h LEU 111 CO 0.00 0.81 0.10 1.23 0.09 0.00 0.00 178.44 180.67 1i12 h GLY 112 N 1.29 0.37 1.01 0.83 0.00 -1.92 0.07 103.07 104.72 1i12 h GLY 112 Ca 0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 1i12 h GLY 112 CO 0.09 0.19 0.21 1.70 0.00 0.00 0.00 176.54 178.73 1i12 h LYS 113 N 0.23 0.94 -0.38 4.80 3.64 -1.95 -0.94 116.57 122.91 1i12 h LYS 113 Ca 0.08 -0.19 -0.09 0.00 -1.27 0.00 0.00 60.65 59.18 1i12 h LYS 113 Cb 0.16 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1i12 h LYS 113 CO -0.01 0.82 -0.14 -0.07 -2.27 0.00 0.00 179.45 177.78 1i12 h LEU 114 N 0.87 0.67 -0.14 5.20 3.38 -1.14 -0.17 115.31 123.97 1i12 h LEU 114 Ca 0.20 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i12 h LEU 114 Cb 0.25 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1i12 h LEU 114 CO -0.01 0.83 0.09 0.25 0.09 0.00 0.00 178.44 179.69 1i12 h LEU 115 N 0.62 0.17 -0.79 1.67 5.85 -0.70 -1.20 115.31 120.92 1i12 h LEU 115 Ca 0.10 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1i12 h LEU 115 Cb 0.59 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 1i12 h LEU 115 CO 0.04 0.14 0.48 0.40 -0.34 0.00 0.00 178.44 179.16 1i12 h ILE 116 N 0.18 1.22 -0.98 4.05 1.08 -0.85 -1.14 117.51 121.07 1i12 h ILE 116 Ca 0.05 -0.48 0.02 0.00 -0.39 0.00 0.00 64.86 64.05 1i12 h ILE 116 Cb -0.00 0.12 -0.05 0.00 -3.07 0.00 0.00 36.82 33.82 1i12 h ILE 116 CO -0.01 0.23 0.65 0.44 -0.69 0.00 0.00 178.15 178.77 1i12 h ASP 117 N 1.08 1.11 -0.53 1.72 3.32 -0.83 -0.20 116.42 122.09 1i12 h ASP 117 Ca 0.28 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.20 1i12 h ASP 117 Cb -0.04 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.22 1i12 h ASP 117 CO -0.05 0.80 -0.09 1.56 -1.72 0.00 0.00 179.24 179.74 1i12 h GLN 118 N 1.31 1.01 -0.61 3.56 1.08 -0.70 -1.01 115.11 119.75 1i12 h GLN 118 Ca 0.37 -0.36 -0.06 0.00 -1.45 0.00 0.00 58.65 57.15 1i12 h GLN 118 Cb -0.12 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.22 1i12 h GLN 118 CO -0.09 1.04 0.13 -0.07 -0.95 0.00 0.00 178.83 178.90 1i12 h LEU 119 N 0.91 0.95 -0.73 1.46 3.38 -0.63 -0.96 115.31 119.69 1i12 h LEU 119 Ca 0.15 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1i12 h LEU 119 Cb 0.64 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1i12 h LEU 119 CO 0.04 0.94 0.33 0.58 0.09 0.00 0.00 178.44 180.43 1i12 h VAL 120 N 0.91 1.24 -0.62 1.22 2.07 -0.90 -1.12 116.25 119.05 1i12 h VAL 120 Ca 0.19 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 1i12 h VAL 120 Cb 0.38 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1i12 h VAL 120 CO 0.01 0.29 0.32 0.74 0.02 0.00 0.00 177.57 178.95 1i12 h THR 121 N 1.03 1.21 -0.15 2.57 2.02 -0.88 0.61 112.91 119.31 1i12 h THR 121 Ca 0.25 -0.55 0.01 0.00 0.77 0.00 0.00 66.41 66.89 1i12 h THR 121 Cb 0.15 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1i12 h THR 121 CO -0.03 0.23 0.05 0.40 0.37 0.00 0.00 175.52 176.54 1i12 h ILE 122 N 0.85 0.96 -0.12 3.11 2.04 -0.84 0.72 117.51 124.22 1i12 h ILE 122 Ca 0.22 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 66.03 1i12 h ILE 122 Cb 0.08 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1i12 h ILE 122 CO -0.03 0.02 0.04 1.23 0.00 0.00 0.00 178.15 179.41 1i12 h GLY 123 N 0.12 0.19 1.55 5.37 0.00 -0.71 -2.33 103.07 107.25 1i12 h GLY 123 Ca 0.06 -0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.21 1i12 h GLY 123 CO -0.07 0.10 -0.12 0.74 0.00 0.00 0.00 176.54 177.19 1i12 h PHE 124 N 0.03 0.59 0.00 5.60 0.04 -0.81 -1.79 116.94 120.59 1i12 h PHE 124 Ca 0.04 -0.09 -0.05 0.00 2.80 0.00 0.00 57.97 60.67 1i12 h PHE 124 Cb 0.18 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 1i12 h PHE 124 CO -0.01 0.65 -0.22 -0.44 -0.60 0.00 0.00 178.31 177.68 1i12 h ASP 125 N 0.50 0.00 1.25 2.17 3.32 -0.67 -0.87 116.42 122.12 1i12 h ASP 125 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1i12 h ASP 125 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1i12 h ASP 125 CO 0.03 0.22 0.00 1.88 -1.72 0.00 0.00 179.24 179.66 1i12 h TYR 126 N 0.00 0.00 0.00 4.55 0.05 -0.93 -3.47 116.97 117.17 1i12 h TYR 126 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1i12 h TYR 126 Cb 0.42 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.16 1i12 h TYR 126 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 1i12 n GLY 127 N 0.60 1.24 3.78 3.88 0.00 -0.33 -5.06 105.19 109.29 1i12 n GLY 127 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1i12 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i12 h TYR 129 N 3.21 0.00 -3.01 0.00 -0.00 -1.45 -3.43 116.97 112.29 1i12 h TYR 129 Ca -0.50 0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 58.16 1i12 h TYR 129 Cb 1.24 0.00 -0.16 0.00 -0.00 0.00 0.00 36.73 37.81 1i12 h TYR 129 CO 0.54 0.00 -0.04 -1.59 -0.00 0.00 0.00 178.16 177.07 1i12 s LYS 130 N -3.26 1.00 -0.06 0.10 -2.85 -1.26 -5.10 119.74 108.32 1i12 s LYS 130 Ca 0.04 -0.39 0.02 0.00 -1.00 0.00 0.00 55.97 54.64 1i12 s LYS 130 Cb 0.10 0.45 0.01 0.00 -2.06 0.00 0.00 37.83 36.33 1i12 s LYS 130 CO 0.73 -0.36 -0.12 0.42 0.10 0.00 0.00 175.35 176.12 1i12 s ILE 131 N -2.78 1.08 0.23 3.79 1.01 -1.26 -1.55 121.20 121.72 1i12 s ILE 131 Ca -0.03 -0.46 0.06 0.00 0.00 0.00 0.00 60.65 60.21 1i12 s ILE 131 Cb -0.00 -0.98 -0.05 0.00 0.01 0.00 0.00 42.46 41.43 1i12 s ILE 131 CO -0.04 0.34 -0.08 0.27 0.00 0.00 0.00 174.94 175.43 1i12 s ILE 132 N 0.58 1.47 0.19 2.92 -4.36 0.08 -4.97 121.20 117.10 1i12 s ILE 132 Ca -0.12 -2.12 -0.21 0.00 -0.26 0.00 0.00 60.65 57.94 1i12 s ILE 132 Cb -0.15 -2.22 0.05 0.00 1.25 0.00 0.00 42.46 41.39 1i12 s ILE 132 CO 0.03 -0.46 0.58 -1.48 0.24 0.00 0.00 174.94 173.86 1i12 s LEU 133 N -3.33 -0.27 0.04 0.37 0.05 -1.26 -0.87 118.68 113.40 1i12 s LEU 133 Ca 0.25 -0.25 0.07 0.00 0.05 0.00 0.00 54.13 54.26 1i12 s LEU 133 Cb 0.03 2.44 -0.03 0.00 -2.05 0.00 0.00 46.19 46.58 1i12 s LEU 133 CO 0.08 -1.05 -0.20 -1.81 -0.55 0.00 0.00 176.35 172.83 1i12 s ASP 134 N -2.81 3.66 0.15 1.48 1.01 -1.26 -5.04 116.67 113.85 1i12 s ASP 134 Ca 0.05 -0.45 -0.09 0.00 0.71 0.00 0.00 52.55 52.76 1i12 s ASP 134 Cb -0.02 -0.55 -0.00 0.00 1.01 0.00 0.00 42.92 43.36 1i12 s ASP 134 CO -0.07 0.26 0.28 0.00 0.21 0.00 0.00 175.17 175.85 1i12 s ASP 136 N -2.93 5.73 0.40 0.00 1.01 -1.26 -4.92 116.67 114.69 1i12 s ASP 136 Ca 0.14 1.69 0.14 0.00 0.71 0.00 0.00 52.55 55.23 1i12 s ASP 136 Cb 0.03 -2.51 0.98 0.00 1.01 0.00 0.00 42.92 42.43 1i12 s ASP 136 CO -0.03 -1.20 1.88 -0.08 0.21 0.00 0.00 175.17 175.94 1i12 h GLU 137 N -0.01 0.49 0.00 8.23 4.57 -2.02 -0.12 114.58 125.73 1i12 h GLU 137 Ca -0.45 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 1i12 h GLU 137 Cb 1.21 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 1i12 h GLU 137 CO 0.58 0.33 0.00 1.57 -1.18 0.00 0.00 179.01 180.30 1i12 h LYS 138 N 0.51 0.00 -0.03 1.92 2.10 -2.06 -2.27 116.57 116.74 1i12 h LYS 138 Ca 0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 1i12 h LYS 138 Cb 0.93 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.26 1i12 h LYS 138 CO -0.18 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.36 1i12 n ASN 139 N -2.80 2.64 -0.28 7.07 5.03 -0.06 -4.54 115.26 122.32 1i12 n ASN 139 Ca -0.02 -1.88 -0.05 0.00 0.87 0.00 0.00 54.58 53.51 1i12 n ASN 139 Cb 0.12 -0.00 0.06 0.00 -1.02 0.00 0.00 39.78 38.94 1i12 n ASN 139 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1i12 h VAL 140 N 4.14 1.23 -0.69 2.41 2.07 -1.45 -2.19 116.25 121.77 1i12 h VAL 140 Ca 0.00 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1i12 h VAL 140 Cb 0.88 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1i12 h VAL 140 CO 0.00 0.25 0.43 0.11 0.02 0.00 0.00 177.57 178.37 1i12 h LYS 141 N 1.06 0.93 -0.19 1.57 1.57 -1.80 0.45 116.57 120.16 1i12 h LYS 141 Ca 0.27 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 59.00 1i12 h LYS 141 Cb 0.01 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 1i12 h LYS 141 CO -0.05 0.65 0.03 0.35 -0.57 0.00 0.00 179.45 179.86 1i12 h PHE 142 N 0.94 0.05 -0.08 -1.35 3.57 -1.79 -1.77 116.94 116.51 1i12 h PHE 142 Ca 0.25 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.68 1i12 h PHE 142 Cb -0.05 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1i12 h PHE 142 CO -0.02 0.01 -0.33 1.88 -2.23 0.00 0.00 178.31 177.62 1i12 h TYR 143 N 0.10 0.18 -0.55 0.41 0.05 -0.78 -1.70 116.97 114.68 1i12 h TYR 143 Ca 0.09 -0.04 -0.04 0.00 0.05 0.00 0.00 58.73 58.79 1i12 h TYR 143 Cb 0.09 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 37.76 1i12 h TYR 143 CO -0.15 0.48 0.19 0.93 -1.05 0.00 0.00 178.16 178.56 1i12 h GLU 144 N 0.14 0.82 0.00 4.88 5.08 -0.61 -1.07 114.58 123.82 1i12 h GLU 144 Ca 0.02 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1i12 h GLU 144 Cb 0.66 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1i12 h GLU 144 CO 0.05 0.69 0.00 1.63 -1.00 0.00 0.00 179.01 180.38 1i12 n LYS 145 N -4.31 0.17 -0.06 2.33 5.02 -0.68 -1.68 118.16 118.95 1i12 n LYS 145 Ca 0.04 0.37 0.12 0.00 -2.02 0.00 0.00 58.31 56.82 1i12 n LYS 145 Cb 0.18 -1.81 0.35 0.00 -0.02 0.00 0.00 35.03 33.74 1i12 n LYS 145 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i12 n GLY 147 N 1.24 0.69 3.91 0.00 0.00 -0.68 -4.93 105.19 105.42 1i12 n GLY 147 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1i12 n GLY 147 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i12 s PHE 148 N -2.14 3.53 0.08 1.61 0.40 -0.67 -5.00 117.98 115.80 1i12 s PHE 148 Ca 0.00 0.75 0.05 0.00 -0.60 0.00 0.00 56.93 57.13 1i12 s PHE 148 Cb 0.00 -2.23 -0.03 0.00 0.51 0.00 0.00 43.02 41.27 1i12 s PHE 148 CO 0.00 -0.14 -0.13 -1.54 0.70 0.00 0.00 175.22 174.11 1i12 s SER 149 N -3.86 1.64 -0.18 1.36 1.04 -1.26 -4.06 113.70 108.38 1i12 s SER 149 Ca 0.46 -0.69 -0.29 0.00 0.48 0.00 0.00 55.95 55.92 1i12 s SER 149 Cb -0.10 -0.04 -0.05 0.00 0.10 0.00 0.00 66.02 65.93 1i12 s SER 149 CO 0.40 -0.14 1.98 0.21 0.98 0.00 0.00 173.24 176.68 1i12 s ASN 150 N -2.01 5.91 0.00 7.02 3.84 -1.26 -4.87 114.94 123.56 1i12 s ASN 150 Ca 0.01 1.90 0.12 0.00 0.21 0.00 0.00 52.86 55.11 1i12 s ASN 150 Cb -0.08 -2.52 -0.05 0.00 -0.55 0.00 0.00 41.25 38.06 1i12 s ASN 150 CO 0.02 -1.60 0.64 0.00 -2.79 0.00 0.00 177.10 173.37 1i12 n ALA 151 N 9.99 3.15 0.00 1.71 0.00 -1.26 -5.10 120.51 129.00 1i12 n ALA 151 Ca 0.25 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1i12 n ALA 151 Cb 0.44 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1i12 n ALA 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i12 n GLY 152 N 1.09 -0.90 3.40 0.00 0.00 -1.26 -5.13 105.19 102.38 1i12 n GLY 152 Ca 0.04 -1.17 -0.32 0.00 0.00 0.00 0.00 46.02 44.56 1i12 n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i12 s VAL 153 N -3.00 2.83 -0.15 1.61 1.01 -1.26 -5.10 120.40 116.33 1i12 s VAL 153 Ca 0.00 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 60.98 1i12 s VAL 153 Cb 0.00 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 1i12 s VAL 153 CO 0.00 0.57 0.62 -0.70 0.00 0.00 0.00 175.10 175.59 1i12 s GLU 154 N -0.32 4.29 0.04 2.72 2.12 -1.26 -5.06 118.70 121.23 1i12 s GLU 154 Ca 0.02 0.66 0.07 0.00 0.36 0.00 0.00 54.97 56.08 1i12 s GLU 154 Cb -0.13 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 1i12 s GLU 154 CO 0.02 -0.09 -0.18 -1.64 -0.54 0.00 0.00 175.26 172.83 1i12 s MET 155 N 1.40 2.08 0.08 4.30 -1.94 -1.26 -5.14 119.30 118.82 1i12 s MET 155 Ca 0.30 -0.97 -0.00 0.00 -1.71 0.00 0.00 55.69 53.31 1i12 s MET 155 Cb -0.16 -2.18 -0.04 0.00 2.01 0.00 0.00 34.83 34.46 1i12 s MET 155 CO 0.12 0.54 -0.03 1.14 -0.01 0.00 0.00 175.02 176.79 1i12 s GLN 156 N -1.38 0.72 -0.02 2.03 -2.07 -1.26 -5.15 119.66 112.53 1i12 s GLN 156 Ca 0.14 -1.29 -0.01 0.00 -1.82 0.00 0.00 55.36 52.38 1i12 s GLN 156 Cb -0.10 0.09 0.01 0.00 -1.09 0.00 0.00 33.01 31.92 1i12 s GLN 156 CO 0.05 -0.10 0.06 -1.50 -1.32 0.00 0.00 175.29 172.47 1i12 s ILE 157 N -3.85 -0.02 0.11 3.63 2.07 -1.26 -5.16 121.20 116.72 1i12 s ILE 157 Ca 0.11 0.06 0.07 0.00 -1.41 0.00 0.00 60.65 59.48 1i12 s ILE 157 Cb 0.07 -0.09 -0.04 0.00 0.13 0.00 0.00 42.46 42.53 1i12 s ILE 157 CO -0.07 0.03 -0.09 -0.13 -1.91 0.00 0.00 174.94 172.77 1i12 s ARG 158 N 0.37 2.17 0.00 3.50 0.52 -1.26 -5.37 118.95 118.88 1i12 s ARG 158 Ca -0.03 -1.02 0.00 0.00 -0.52 0.00 0.00 55.73 54.16 1i12 s ARG 158 Cb -0.04 -2.33 0.00 0.00 0.52 0.00 0.00 34.95 33.10 1i12 s ARG 158 CO -0.01 0.51 0.00 1.63 0.02 0.00 0.00 175.30 177.44