#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i12 s PRO 4 N 0.00 -0.63 0.16 3.23 0.04 -1.26 -4.94 135.00 131.60 1i12 s PRO 4 Ca 0.00 0.15 -0.31 0.00 0.04 0.00 0.00 61.00 60.89 1i12 s PRO 4 Cb 0.00 -1.65 -0.09 0.00 0.04 0.00 0.00 34.50 32.81 1i12 s PRO 4 CO 0.00 -3.36 1.41 -0.51 0.04 0.00 0.00 177.00 174.57 1i12 s ASP 5 N -3.71 6.77 0.00 6.66 1.11 -1.26 -2.94 116.67 123.31 1i12 s ASP 5 Ca 0.69 2.44 0.00 0.00 0.18 0.00 0.00 52.55 55.86 1i12 s ASP 5 Cb -0.13 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.26 1i12 s ASP 5 CO 0.57 -0.66 0.00 0.61 1.18 0.00 0.00 175.17 176.87 1i12 n GLY 6 N 3.08 0.74 3.25 0.21 0.00 -1.26 -5.04 105.19 106.17 1i12 n GLY 6 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.71 1.37 0.18 1.61 0.40 -1.15 -0.57 117.98 117.12 1i12 s PHE 7 Ca 0.00 -0.61 -0.06 0.00 -0.60 0.00 0.00 56.93 55.66 1i12 s PHE 7 Cb 0.00 -0.71 -0.02 0.00 0.51 0.00 0.00 43.02 42.80 1i12 s PHE 7 CO 0.00 0.14 0.23 1.52 0.70 0.00 0.00 175.22 177.81 1i12 s TYR 8 N -2.51 0.71 0.02 0.36 1.13 -0.65 -4.71 117.35 111.70 1i12 s TYR 8 Ca 0.12 -1.03 0.08 0.00 -1.41 0.00 0.00 57.07 54.82 1i12 s TYR 8 Cb -0.03 -0.24 -0.02 0.00 -1.10 0.00 0.00 41.96 40.57 1i12 s TYR 8 CO 0.03 -0.71 -0.22 -1.50 -2.51 0.00 0.00 175.55 170.63 1i12 s ILE 9 N -4.05 1.80 0.23 -3.49 2.07 -1.26 -0.57 121.20 115.93 1i12 s ILE 9 Ca 0.26 -1.15 -0.18 0.00 -1.41 0.00 0.00 60.65 58.18 1i12 s ILE 9 Cb 0.04 -1.53 0.02 0.00 0.13 0.00 0.00 42.46 41.12 1i12 s ILE 9 CO 0.06 0.35 0.57 0.00 -1.91 0.00 0.00 174.94 174.01 1i12 s ARG 10 N -0.94 1.54 0.52 3.50 1.70 -0.63 -5.00 118.95 119.64 1i12 s ARG 10 Ca 0.09 -0.98 -0.21 0.00 -0.47 0.00 0.00 55.73 54.15 1i12 s ARG 10 Cb -0.09 0.54 -0.05 0.00 -0.57 0.00 0.00 34.95 34.77 1i12 s ARG 10 CO 0.01 -0.67 1.25 1.03 -1.08 0.00 0.00 175.30 175.84 1i12 s ARG 11 N -3.92 3.34 0.59 3.89 0.52 -1.26 -1.05 118.95 121.06 1i12 s ARG 11 Ca 0.13 1.96 -0.19 0.00 -0.52 0.00 0.00 55.73 57.11 1i12 s ARG 11 Cb -0.02 -2.23 -0.04 0.00 0.52 0.00 0.00 34.95 33.18 1i12 s ARG 11 CO 0.03 -0.95 1.23 1.41 0.02 0.00 0.00 175.30 177.03 1i12 s MET 12 N -2.93 2.97 0.23 3.54 -2.45 -0.07 -4.73 119.30 115.87 1i12 s MET 12 Ca 0.70 1.89 0.04 0.00 -1.25 0.00 0.00 55.69 57.06 1i12 s MET 12 Cb -0.33 -1.97 -0.05 0.00 1.25 0.00 0.00 34.83 33.73 1i12 s MET 12 CO 0.39 -1.22 -0.00 -1.21 1.05 0.00 0.00 175.02 174.03 1i12 s GLU 13 N -3.27 1.34 0.48 4.11 2.02 -1.26 -5.01 118.70 117.11 1i12 s GLU 13 Ca 0.77 -1.68 0.15 0.00 0.02 0.00 0.00 54.97 54.23 1i12 s GLU 13 Cb -0.32 -0.63 1.15 0.00 0.10 0.00 0.00 34.13 34.43 1i12 s GLU 13 CO 0.35 -0.09 2.08 1.05 0.02 0.00 0.00 175.26 178.67 1i12 h GLU 14 N 2.47 0.20 0.00 1.61 4.11 -1.95 -1.17 114.58 119.85 1i12 h GLU 14 Ca -0.38 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.04 1i12 h GLU 14 Cb 1.22 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1i12 h GLU 14 CO 0.65 0.13 0.00 0.41 0.07 0.00 0.00 179.01 180.27 1i12 n GLY 15 N -1.53 -1.09 0.00 1.06 0.00 -1.26 -3.17 105.19 99.20 1i12 n GLY 15 Ca 0.02 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.33 0.00 -0.13 1.61 8.00 -0.44 -4.39 116.55 119.86 1i12 n ASP 16 Ca 0.10 -0.63 -0.05 0.00 0.71 0.00 0.00 54.79 54.92 1i12 n ASP 16 Cb 0.20 -0.09 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 0.00 -0.60 -0.36 0.64 5.85 -1.74 0.12 115.31 119.21 1i12 h LEU 17 Ca 0.00 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1i12 h LEU 17 Cb 0.08 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1i12 h LEU 17 CO 0.00 -0.21 0.13 -0.08 -0.34 0.00 0.00 178.44 177.94 1i12 h GLU 18 N -0.08 0.55 -0.03 1.25 4.81 -1.91 -0.92 114.58 118.26 1i12 h GLU 18 Ca 0.21 -0.11 -0.21 0.00 -0.13 0.00 0.00 59.36 59.12 1i12 h GLU 18 Cb 0.40 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1i12 h GLU 18 CO -0.49 0.55 -0.87 1.96 -0.73 0.00 0.00 179.01 179.43 1i12 h GLN 19 N 0.44 0.43 -0.36 1.92 4.20 -1.77 -2.62 115.11 117.35 1i12 h GLN 19 Ca 0.12 -0.42 -0.08 0.00 0.06 0.00 0.00 58.65 58.32 1i12 h GLN 19 Cb 0.22 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1i12 h GLN 19 CO -0.01 1.08 -0.13 0.28 -0.67 0.00 0.00 178.83 179.38 1i12 h VAL 20 N 0.26 1.25 -0.58 -0.54 2.07 -0.72 -1.22 116.25 116.77 1i12 h VAL 20 Ca -0.06 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.35 1i12 h VAL 20 Cb 1.49 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 1i12 h VAL 20 CO 0.15 0.37 0.38 0.74 0.02 0.00 0.00 177.57 179.24 1i12 h THR 21 N 0.58 1.15 -0.44 2.57 2.02 -1.02 -0.12 112.91 117.64 1i12 h THR 21 Ca 0.10 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 1i12 h THR 21 Cb 0.55 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1i12 h THR 21 CO 0.03 0.15 0.11 -0.08 0.37 0.00 0.00 175.52 176.11 1i12 h GLU 22 N 0.79 0.70 -0.20 6.66 4.57 -1.11 -2.84 114.58 123.15 1i12 h GLU 22 Ca 0.21 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 1i12 h GLU 22 Cb -0.08 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.40 1i12 h GLU 22 CO -0.05 0.70 0.08 1.15 -1.18 0.00 0.00 179.01 179.72 1i12 h THR 23 N 0.58 1.15 0.00 0.32 2.02 -0.91 -2.95 112.91 113.13 1i12 h THR 23 Ca 0.14 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1i12 h THR 23 Cb 0.31 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1i12 h THR 23 CO 0.00 0.15 0.00 -0.07 0.37 0.00 0.00 175.52 175.97 1i12 h LEU 24 N 0.18 0.00 -2.20 2.58 3.38 -0.96 -2.91 115.31 115.37 1i12 h LEU 24 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1i12 h LEU 24 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1i12 h LEU 24 CO -0.01 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.63 1i12 h LYS 25 N 0.00 0.00 0.00 1.13 1.79 -1.31 -0.13 116.57 118.05 1i12 h LYS 25 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1i12 h LYS 25 Cb 0.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1i12 h LYS 25 CO 0.00 0.00 0.00 1.33 -1.08 0.00 0.00 179.45 179.70 1i12 n VAL 26 N -2.90 0.54 -0.14 0.50 0.24 -1.10 -3.74 118.33 111.73 1i12 n VAL 26 Ca -0.01 0.01 -0.29 0.00 -2.04 0.00 0.00 64.34 62.01 1i12 n VAL 26 Cb 0.14 -0.76 -0.10 0.00 -1.47 0.00 0.00 33.84 31.65 1i12 n VAL 26 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1i12 n LEU 27 N -1.87 2.00 0.00 1.34 7.94 -0.11 -5.07 117.00 121.23 1i12 n LEU 27 Ca 0.05 0.32 -0.01 0.00 -1.11 0.00 0.00 56.01 55.26 1i12 n LEU 27 Cb 0.31 -0.83 0.01 0.00 0.53 0.00 0.00 43.42 43.44 1i12 n LEU 27 CO 0.24 0.58 0.36 1.07 -1.11 0.00 0.00 177.39 178.53 1i12 n THR 28 N -4.22 0.00 -2.43 1.96 5.66 -0.91 -5.13 114.28 109.22 1i12 n THR 28 Ca -0.54 -0.26 -0.42 0.00 -3.05 0.00 0.00 64.05 59.78 1i12 n THR 28 Cb 0.89 0.35 -0.03 0.00 -1.55 0.00 0.00 70.33 69.99 1i12 n THR 28 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1i12 s THR 29 N -2.35 4.19 -0.22 1.09 -1.32 -1.26 -4.14 115.64 111.63 1i12 s THR 29 Ca 0.10 1.52 -0.10 0.00 -1.21 0.00 0.00 61.69 62.00 1i12 s THR 29 Cb -0.01 -3.98 -0.18 0.00 -1.51 0.00 0.00 72.50 66.82 1i12 s THR 29 CO 0.03 -0.01 -0.03 0.52 -2.21 0.00 0.00 174.62 172.91 1i12 n VAL 30 N 4.68 1.58 -4.03 5.08 0.31 -1.26 -5.06 118.33 119.63 1i12 n VAL 30 Ca 0.11 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1i12 n VAL 30 Cb 0.46 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 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 1.74 -1.59 3.78 2.92 0.00 -1.26 -4.84 105.19 105.94 1i12 n GLY 31 Ca -0.42 -1.33 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 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 5.32 -0.05 2.61 2.01 -1.26 -5.08 115.64 119.19 1i12 s THR 32 Ca 0.00 0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.17 1i12 s THR 32 Cb 0.00 -3.37 0.01 0.00 0.01 0.00 0.00 72.50 69.15 1i12 s THR 32 CO 0.00 0.53 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.73 1i12 s ILE 33 N -0.28 0.93 0.42 1.82 1.01 -1.26 -5.14 121.20 118.69 1i12 s ILE 33 Ca 0.11 -0.39 -0.22 0.00 0.00 0.00 0.00 60.65 60.15 1i12 s ILE 33 Cb -0.12 -0.86 -0.11 0.00 0.01 0.00 0.00 42.46 41.39 1i12 s ILE 33 CO 0.01 0.30 0.96 0.42 0.00 0.00 0.00 174.94 176.63 1i12 s THR 34 N 0.55 4.28 0.31 2.92 -4.23 -1.26 -4.94 115.64 113.27 1i12 s THR 34 Ca -0.10 1.50 0.00 0.00 -1.18 0.00 0.00 61.69 61.91 1i12 s THR 34 Cb -0.13 -3.65 0.28 0.00 1.34 0.00 0.00 72.50 70.33 1i12 s THR 34 CO 0.02 -0.23 1.93 -0.65 -0.54 0.00 0.00 174.62 175.15 1i12 h PRO 35 N 2.08 1.00 -0.44 3.99 0.11 -1.99 -1.20 132.00 135.56 1i12 h PRO 35 Ca -0.49 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.55 1i12 h PRO 35 Cb 1.19 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 1i12 h PRO 35 CO 0.61 0.66 0.23 1.49 -0.21 0.00 0.00 178.00 180.79 1i12 h GLU 36 N 1.03 0.61 -0.41 1.05 4.81 -2.00 -0.22 114.58 119.46 1i12 h GLU 36 Ca 0.36 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.40 1i12 h GLU 36 Cb 0.10 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1i12 h GLU 36 CO -0.12 0.50 -0.19 0.77 -0.73 0.00 0.00 179.01 179.24 1i12 h SER 37 N 0.57 0.79 -0.45 1.04 0.02 -1.82 -2.35 113.55 111.34 1i12 h SER 37 Ca 0.15 -0.27 -0.11 0.00 -0.84 0.00 0.00 61.79 60.72 1i12 h SER 37 Cb 0.07 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1i12 h SER 37 CO -0.02 0.97 -0.14 0.15 -1.14 0.00 0.00 176.83 176.64 1i12 h PHE 38 N 0.69 1.05 -0.84 3.45 3.57 -0.88 -0.64 116.94 123.33 1i12 h PHE 38 Ca 0.10 -0.22 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 1i12 h PHE 38 Cb 0.69 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 1i12 h PHE 38 CO 0.04 1.01 0.47 0.00 -2.23 0.00 0.00 178.31 177.59 1i12 h LYS 40 N 1.17 0.54 -0.31 0.00 1.57 -1.12 -1.54 116.57 116.89 1i12 h LYS 40 Ca 0.30 -0.23 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 1i12 h LYS 40 Cb 0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1i12 h LYS 40 CO -0.05 0.79 -0.19 1.25 -0.57 0.00 0.00 179.45 180.69 1i12 h LEU 41 N 0.46 0.71 -1.08 2.94 5.85 -0.36 -1.63 115.31 122.19 1i12 h LEU 41 Ca 0.06 -0.42 -0.07 0.00 0.84 0.00 0.00 57.88 58.29 1i12 h LEU 41 Cb 0.78 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1i12 h LEU 41 CO 0.06 0.98 -0.07 0.40 -0.34 0.00 0.00 178.44 179.47 1i12 h ILE 42 N 0.44 1.23 -0.56 4.05 1.08 -0.92 0.12 117.51 122.95 1i12 h ILE 42 Ca 0.07 -0.96 -0.03 0.00 -0.39 0.00 0.00 64.86 63.54 1i12 h ILE 42 Cb 0.73 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 35.50 1i12 h ILE 42 CO 0.05 0.32 0.24 0.50 -0.69 0.00 0.00 178.15 178.57 1i12 h LYS 43 N 0.53 0.82 -0.35 2.37 3.64 -1.12 0.44 116.57 122.91 1i12 h LYS 43 Ca 0.10 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1i12 h LYS 43 Cb 0.45 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1i12 h LYS 43 CO 0.02 0.70 0.19 -0.92 -2.27 0.00 0.00 179.45 177.17 1i12 h TYR 44 N 0.76 0.49 0.00 1.91 3.20 -0.44 -2.14 116.97 120.75 1i12 h TYR 44 Ca 0.19 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 1i12 h TYR 44 Cb 0.18 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.29 1i12 h TYR 44 CO 0.00 0.40 -0.12 -1.49 -1.64 0.00 0.00 178.16 175.32 1i12 h TRP 45 N 0.44 0.00 -0.01 -3.82 6.55 -0.50 -1.27 115.95 117.35 1i12 h TRP 45 Ca 0.12 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.96 1i12 h TRP 45 Cb 0.08 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.38 1i12 h TRP 45 CO -0.02 0.12 -0.15 0.09 -1.05 0.00 0.00 178.44 177.43 1i12 n ASN 46 N -3.34 1.31 -0.00 -3.49 3.02 0.12 -4.31 115.26 108.57 1i12 n ASN 46 Ca -0.00 -1.20 -0.00 0.00 -0.03 0.00 0.00 54.58 53.35 1i12 n ASN 46 Cb 0.32 0.08 -0.01 0.00 -0.61 0.00 0.00 39.78 39.57 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 -0.23 3.14 -1.97 3.52 1.02 -0.90 -5.00 120.64 120.23 1i12 n GLU 47 Ca 0.15 -0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.86 1i12 n GLU 47 Cb 0.36 -1.02 -0.03 0.00 -0.02 0.00 0.00 31.44 30.73 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 -2.03 3.37 0.24 0.62 0.00 -0.52 -4.99 121.76 118.45 1i12 s ALA 48 Ca -0.00 0.77 0.10 0.00 0.00 0.00 0.00 51.96 52.82 1i12 s ALA 48 Cb 0.00 -3.84 -0.04 0.00 0.00 0.00 0.00 23.12 19.24 1i12 s ALA 48 CO 0.04 -1.80 -0.12 0.95 0.00 0.00 0.00 175.76 174.83 1i12 s THR 49 N 5.03 2.94 -0.15 0.00 -4.23 -1.26 -1.66 115.64 116.31 1i12 s THR 49 Ca 0.77 -2.01 -0.10 0.00 -1.18 0.00 0.00 61.69 59.17 1i12 s THR 49 Cb -0.31 -2.51 -0.05 0.00 1.34 0.00 0.00 72.50 70.97 1i12 s THR 49 CO 0.31 -0.27 0.18 -0.69 -0.54 0.00 0.00 174.62 173.61 1i12 s VAL 50 N -2.12 5.40 0.39 2.29 1.01 0.06 -4.74 120.40 122.69 1i12 s VAL 50 Ca 0.28 0.31 -0.27 0.00 0.00 0.00 0.00 61.98 62.29 1i12 s VAL 50 Cb -0.07 -3.50 -0.11 0.00 0.00 0.00 0.00 36.38 32.71 1i12 s VAL 50 CO 0.16 0.50 1.48 1.87 0.00 0.00 0.00 175.10 179.10 1i12 n TRP 51 N 2.90 2.94 0.00 5.22 -0.00 -1.26 -4.56 117.44 122.68 1i12 n TRP 51 Ca -0.16 0.44 0.00 0.00 -0.00 0.00 0.00 57.50 57.78 1i12 n TRP 51 Cb 0.53 -2.52 0.00 0.00 -0.00 0.00 0.00 31.31 29.32 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 0.32 0.00 -4.71 5.87 0.23 -1.26 -5.01 115.26 110.70 1i12 n ASN 52 Ca 0.02 0.00 -0.32 0.00 -0.53 0.00 0.00 54.58 53.75 1i12 n ASN 52 Cb 0.39 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.01 1i12 n ASN 52 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 1i12 s ASP 56 N 1.95 5.24 -0.14 0.53 1.01 -1.26 -5.14 116.67 118.86 1i12 s ASP 56 Ca 0.00 -0.02 0.01 0.00 0.71 0.00 0.00 52.55 53.26 1i12 s ASP 56 Cb 0.00 -1.37 0.02 0.00 1.01 0.00 0.00 42.92 42.57 1i12 s ASP 56 CO 0.00 0.25 -0.16 -0.75 0.21 0.00 0.00 175.17 174.71 1i12 s LYS 57 N -1.83 2.44 -0.56 8.23 2.20 -1.26 -5.07 119.74 123.90 1i12 s LYS 57 Ca 0.22 -0.63 -0.19 0.00 -0.36 0.00 0.00 55.97 55.01 1i12 s LYS 57 Cb -0.12 -2.13 0.08 0.00 -1.51 0.00 0.00 37.83 34.16 1i12 s LYS 57 CO 0.14 -0.14 0.68 0.15 -0.36 0.00 0.00 175.35 175.81 1i12 s LYS 58 N 1.21 3.08 -0.27 4.03 1.02 -1.26 -4.99 119.74 122.56 1i12 s LYS 58 Ca -0.01 -1.12 -0.07 0.00 0.02 0.00 0.00 55.97 54.80 1i12 s LYS 58 Cb -0.14 -4.19 -0.01 0.00 -0.52 0.00 0.00 37.83 32.97 1i12 s LYS 58 CO -0.07 -1.41 0.06 0.42 -0.92 0.00 0.00 175.35 173.44 1i12 s ILE 59 N 2.70 4.02 0.06 2.17 1.01 -1.26 -5.05 121.20 124.85 1i12 s ILE 59 Ca 0.13 -0.47 -0.30 0.00 0.00 0.00 0.00 60.65 60.02 1i12 s ILE 59 Cb -0.22 -2.97 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 1i12 s ILE 59 CO 0.09 0.23 0.98 -0.04 0.00 0.00 0.00 174.94 176.19 1i12 s MET 60 N 1.54 4.62 0.18 2.79 -1.94 -1.26 -0.76 119.30 124.47 1i12 s MET 60 Ca 0.05 1.45 -0.11 0.00 -1.71 0.00 0.00 55.69 55.37 1i12 s MET 60 Cb -0.16 -3.41 0.09 0.00 2.01 0.00 0.00 34.83 33.36 1i12 s MET 60 CO 0.02 0.07 1.73 0.37 -0.01 0.00 0.00 175.02 177.21 1i12 h GLN 61 N 6.17 0.98 -6.16 2.03 4.15 -1.61 -3.41 115.11 117.26 1i12 h GLN 61 Ca -0.42 -0.19 -0.69 0.00 0.77 0.00 0.00 58.65 58.13 1i12 h GLN 61 Cb 1.22 -0.15 -0.20 0.00 0.21 0.00 0.00 27.48 28.55 1i12 h GLN 61 CO 0.74 0.83 -0.71 0.71 -1.93 0.00 0.00 178.83 178.47 1i12 s TYR 62 N -5.51 2.90 -0.42 3.99 1.51 -1.26 -0.84 117.35 117.72 1i12 s TYR 62 Ca -0.13 -0.01 0.08 0.00 -1.01 0.00 0.00 57.07 56.00 1i12 s TYR 62 Cb 0.14 -1.70 0.27 0.00 -0.11 0.00 0.00 41.96 40.55 1i12 s TYR 62 CO 0.81 0.30 0.58 0.09 -1.11 0.00 0.00 175.55 176.23 1i12 n ASN 63 N 2.26 0.77 -4.69 2.29 3.02 -0.93 -4.91 115.26 113.07 1i12 n ASN 63 Ca -0.18 -2.84 -0.42 0.00 -0.03 0.00 0.00 54.58 51.11 1i12 n ASN 63 Cb 0.53 -0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 39.03 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 -1.55 4.36 0.15 3.52 0.04 -1.26 -3.15 135.00 137.11 1i12 s PRO 64 Ca 0.37 1.64 0.11 0.00 0.04 0.00 0.00 61.00 63.15 1i12 s PRO 64 Cb 0.19 -3.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 1i12 s PRO 64 CO -0.09 -0.43 -0.24 -1.64 0.04 0.00 0.00 177.00 174.63 1i12 s MET 65 N 2.19 1.39 0.01 4.56 -1.94 0.21 -0.89 119.30 124.84 1i12 s MET 65 Ca 0.55 -1.39 0.04 0.00 -1.71 0.00 0.00 55.69 53.18 1i12 s MET 65 Cb -0.24 -1.75 -0.02 0.00 2.01 0.00 0.00 34.83 34.84 1i12 s MET 65 CO 0.21 0.39 -0.14 0.14 -0.01 0.00 0.00 175.02 175.62 1i12 s VAL 66 N -1.40 1.07 -0.22 -6.03 -7.23 -0.21 -1.88 120.40 104.50 1i12 s VAL 66 Ca 0.16 -0.77 -0.10 0.00 -1.81 0.00 0.00 61.98 59.45 1i12 s VAL 66 Cb -0.09 -0.93 -0.05 0.00 0.56 0.00 0.00 36.38 35.87 1i12 s VAL 66 CO 0.07 0.16 0.15 -0.63 -0.31 0.00 0.00 175.10 174.53 1i12 s ILE 67 N -0.57 5.39 -0.09 -0.62 -1.09 -0.30 -1.60 121.20 122.33 1i12 s ILE 67 Ca 0.03 0.19 0.05 0.00 -2.23 0.00 0.00 60.65 58.69 1i12 s ILE 67 Cb -0.06 -3.49 -0.00 0.00 -1.58 0.00 0.00 42.46 37.33 1i12 s ILE 67 CO 0.00 0.40 -0.24 -0.69 -1.23 0.00 0.00 174.94 173.18 1i12 s VAL 68 N 0.67 2.09 -0.39 2.92 1.01 0.26 -0.05 120.40 126.91 1i12 s VAL 68 Ca 0.08 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 60.75 1i12 s VAL 68 Cb -0.12 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.50 1i12 s VAL 68 CO 0.01 0.56 1.09 -0.62 0.00 0.00 0.00 175.10 176.14 1i12 s ASP 69 N 0.17 6.77 0.59 3.32 -1.08 -0.03 -1.64 116.67 124.77 1i12 s ASP 69 Ca -0.14 0.74 0.35 0.00 -0.52 0.00 0.00 52.55 52.99 1i12 s ASP 69 Cb -0.17 -2.54 1.80 0.00 -1.46 0.00 0.00 42.92 40.56 1i12 s ASP 69 CO 0.07 -1.04 2.17 0.11 0.52 0.00 0.00 175.17 177.00 1i12 h LYS 70 N 8.63 0.00 -0.65 4.34 1.57 -1.15 0.85 116.57 130.16 1i12 h LYS 70 Ca -0.22 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.64 1i12 h LYS 70 Cb 1.06 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.31 1i12 h LYS 70 CO 1.07 0.04 0.32 0.00 -0.57 0.00 0.00 179.45 180.31 1i12 h ARG 71 N 0.00 0.55 0.00 3.15 3.08 -1.92 -3.23 114.38 116.01 1i12 h ARG 71 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1i12 h ARG 71 Cb 0.25 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1i12 h ARG 71 CO 0.01 0.37 0.00 0.25 -1.07 0.00 0.00 179.97 179.52 1i12 n THR 72 N -4.87 0.46 -3.69 2.04 -2.24 -1.19 -5.02 114.28 99.77 1i12 n THR 72 Ca 0.09 -0.58 -0.25 0.00 -2.27 0.00 0.00 64.05 61.04 1i12 n THR 72 Cb 0.23 0.87 0.03 0.00 -2.10 0.00 0.00 70.33 69.36 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 -0.23 -3.00 -4.31 -0.78 -0.58 0.25 -5.00 120.64 107.00 1i12 n GLU 73 Ca 0.00 0.55 -0.34 0.00 -0.42 0.00 0.00 57.16 56.95 1i12 n GLU 73 Cb 0.24 -4.75 -0.12 0.00 -0.57 0.00 0.00 31.44 26.24 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 -3.61 4.00 0.06 2.62 2.01 -0.92 -4.92 115.64 114.87 1i12 s THR 74 Ca 0.22 -0.32 -0.31 0.00 0.31 0.00 0.00 61.69 61.60 1i12 s THR 74 Cb -0.07 -2.77 -0.08 0.00 0.01 0.00 0.00 72.50 69.59 1i12 s THR 74 CO 0.84 0.48 1.71 -0.69 -0.69 0.00 0.00 174.62 176.27 1i12 s VAL 75 N 0.46 3.01 -0.03 3.82 1.01 -1.26 -0.85 120.40 126.56 1i12 s VAL 75 Ca -0.02 0.39 0.17 0.00 0.00 0.00 0.00 61.98 62.52 1i12 s VAL 75 Cb -0.14 -3.25 -0.27 0.00 0.00 0.00 0.00 36.38 32.72 1i12 s VAL 75 CO 0.02 -0.01 0.37 0.00 0.00 0.00 0.00 175.10 175.48 1i12 n ALA 76 N 5.96 2.60 -3.49 5.51 0.00 0.93 -4.90 120.51 127.11 1i12 n ALA 76 Ca 0.17 -0.44 -0.12 0.00 0.00 0.00 0.00 53.44 53.04 1i12 n ALA 76 Cb 0.40 -0.57 -0.03 0.00 0.00 0.00 0.00 19.45 19.25 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 -3.17 -1.76 0.02 0.00 0.00 -1.09 -1.45 121.76 114.30 1i12 s ALA 77 Ca -0.06 1.02 -0.08 0.00 0.00 0.00 0.00 51.96 52.84 1i12 s ALA 77 Cb 0.11 0.28 -0.00 0.00 0.00 0.00 0.00 23.12 23.51 1i12 s ALA 77 CO 0.72 -0.58 0.15 -0.08 0.00 0.00 0.00 175.76 175.97 1i12 s THR 78 N -2.53 0.10 0.12 0.00 -1.32 -0.02 -1.15 115.64 110.84 1i12 s THR 78 Ca -0.01 -0.81 -0.25 0.00 -1.21 0.00 0.00 61.69 59.40 1i12 s THR 78 Cb -0.01 -0.64 0.07 0.00 -1.51 0.00 0.00 72.50 70.41 1i12 s THR 78 CO -0.04 -0.45 0.84 -0.83 -2.21 0.00 0.00 174.62 171.93 1i12 s GLY 79 N -1.69 -0.35 0.03 6.08 0.00 -0.79 -1.54 107.32 109.07 1i12 s GLY 79 Ca -0.11 0.40 -0.00 0.00 0.00 0.00 0.00 44.72 45.01 1i12 s GLY 79 CO -0.01 0.12 -0.03 0.21 0.00 0.00 0.00 173.10 173.39 1i12 s ASN 80 N -2.76 0.39 -0.08 1.64 3.84 -0.49 -0.62 114.94 116.86 1i12 s ASN 80 Ca 0.08 -0.67 0.01 0.00 0.21 0.00 0.00 52.86 52.48 1i12 s ASN 80 Cb -0.02 0.13 0.02 0.00 -0.55 0.00 0.00 41.25 40.83 1i12 s ASN 80 CO -0.03 -0.39 -0.08 -0.51 -2.79 0.00 0.00 177.10 173.30 1i12 s ILE 81 N -2.29 0.92 -0.14 -5.21 2.07 -1.19 -1.15 121.20 114.22 1i12 s ILE 81 Ca -0.08 -0.30 -0.04 0.00 -1.41 0.00 0.00 60.65 58.82 1i12 s ILE 81 Cb -0.04 -0.90 -0.03 0.00 0.13 0.00 0.00 42.46 41.62 1i12 s ILE 81 CO -0.04 0.32 0.01 -0.63 -1.91 0.00 0.00 174.94 172.70 1i12 s ILE 82 N 1.12 4.35 -0.22 2.00 1.01 -0.13 -2.19 121.20 127.14 1i12 s ILE 82 Ca -0.07 -0.21 -0.08 0.00 0.00 0.00 0.00 60.65 60.30 1i12 s ILE 82 Cb -0.14 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 1i12 s ILE 82 CO -0.01 0.52 0.09 -0.63 0.00 0.00 0.00 174.94 174.91 1i12 s ILE 83 N -0.09 4.75 -0.12 2.92 -1.09 -0.02 -0.49 121.20 127.07 1i12 s ILE 83 Ca 0.04 -0.03 0.01 0.00 -2.23 0.00 0.00 60.65 58.44 1i12 s ILE 83 Cb -0.13 -3.19 -0.01 0.00 -1.58 0.00 0.00 42.46 37.55 1i12 s ILE 83 CO 0.02 0.39 -0.15 -0.70 -1.23 0.00 0.00 174.94 173.27 1i12 s GLU 84 N 0.98 3.23 -0.16 2.79 2.12 -0.24 -4.78 118.70 122.64 1i12 s GLU 84 Ca 0.05 -0.71 -0.15 0.00 0.36 0.00 0.00 54.97 54.51 1i12 s GLU 84 Cb -0.14 -2.56 -0.04 0.00 0.26 0.00 0.00 34.13 31.65 1i12 s GLU 84 CO 0.03 0.26 0.35 0.50 -0.54 0.00 0.00 175.26 175.87 1i12 s ARG 85 N 0.21 4.25 0.51 4.30 6.06 -1.26 -1.06 118.95 131.96 1i12 s ARG 85 Ca -0.09 0.19 0.04 0.00 -2.50 0.00 0.00 55.73 53.37 1i12 s ARG 85 Cb -0.15 -3.46 0.00 0.00 0.06 0.00 0.00 34.95 31.40 1i12 s ARG 85 CO 0.05 0.14 0.21 0.15 -2.50 0.00 0.00 175.30 173.35 1i12 s LYS 86 N 0.74 2.22 -0.19 5.12 1.02 0.16 -5.01 119.74 123.79 1i12 s LYS 86 Ca 0.19 -2.15 -0.10 0.00 0.02 0.00 0.00 55.97 53.94 1i12 s LYS 86 Cb -0.14 -1.85 -0.21 0.00 -0.52 0.00 0.00 37.83 35.11 1i12 s LYS 86 CO 0.06 -0.43 0.11 -0.89 -0.92 0.00 0.00 175.35 173.28 1i12 n ILE 87 N -1.48 1.63 -0.73 2.17 5.41 -1.26 -3.48 119.36 121.62 1i12 n ILE 87 Ca -0.09 -0.44 -0.32 0.00 1.00 0.00 0.00 62.75 62.90 1i12 n ILE 87 Cb 0.65 -1.77 0.16 0.00 -0.71 0.00 0.00 39.64 37.97 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 -3.78 0.13 -3.55 1.39 -5.35 -1.26 -1.02 119.36 105.91 1i12 n ILE 88 Ca -0.38 -0.06 -0.21 0.00 -0.27 0.00 0.00 62.75 61.83 1i12 n ILE 88 Cb 0.92 -0.92 0.08 0.00 -1.74 0.00 0.00 39.64 37.98 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 -4.04 -2.44 -3.58 4.28 8.25 -1.26 -1.38 115.22 115.04 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 -4.95 0.05 0.00 1.12 0.00 0.00 29.99 26.73 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 -4.52 -3.04 -3.55 -0.41 4.71 -1.24 -2.16 120.64 110.44 1i12 n GLU 90 Ca -0.16 0.63 -0.21 0.00 -0.01 0.00 0.00 57.16 57.42 1i12 n GLU 90 Cb 0.62 -4.99 0.05 0.00 -1.01 0.00 0.00 31.44 26.11 1i12 n GLU 90 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1i12 n LEU 91 N -3.99 -3.77 -4.79 -4.62 4.77 -0.19 -4.96 117.00 99.45 1i12 n LEU 91 Ca -0.17 -0.79 -0.30 0.00 -0.03 0.00 0.00 56.01 54.72 1i12 n LEU 91 Cb 0.63 -2.83 0.09 0.00 -2.33 0.00 0.00 43.42 38.99 1i12 n LEU 91 CO 0.66 0.35 0.70 -0.83 -1.33 0.00 0.00 177.39 176.94 1i12 s GLY 92 N -4.04 1.63 -0.13 -0.72 0.00 -0.48 -4.66 107.32 98.92 1i12 s GLY 92 Ca 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 44.72 44.75 1i12 s GLY 92 CO 0.79 0.31 -0.05 1.08 0.00 0.00 0.00 173.10 175.23 1i12 s LEU 93 N -5.84 3.24 -0.08 0.66 1.43 -1.26 -0.67 118.68 116.16 1i12 s LEU 93 Ca 0.61 -0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.66 1i12 s LEU 93 Cb -0.15 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 1i12 s LEU 93 CO 0.55 0.23 -0.23 0.00 0.23 0.00 0.00 176.35 177.13 1i12 s GLY 95 N 0.09 2.28 -0.24 0.00 0.00 -0.71 -1.08 107.32 107.66 1i12 s GLY 95 Ca -0.10 -0.49 0.01 0.00 0.00 0.00 0.00 44.72 44.13 1i12 s GLY 95 CO 0.06 -0.23 -0.05 0.30 0.00 0.00 0.00 173.10 173.18 1i12 s HIS 96 N -1.14 2.48 0.05 1.90 3.76 0.35 -0.92 115.29 121.79 1i12 s HIS 96 Ca 0.22 -1.83 -0.27 0.00 -0.15 0.00 0.00 55.06 53.03 1i12 s HIS 96 Cb -0.14 -1.64 -0.05 0.00 1.11 0.00 0.00 32.58 31.86 1i12 s HIS 96 CO 0.11 -0.79 0.84 0.42 -0.85 0.00 0.00 174.74 174.47 1i12 s ILE 97 N 1.37 4.70 0.05 0.60 1.01 -0.13 -0.96 121.20 127.83 1i12 s ILE 97 Ca -0.05 1.80 -0.05 0.00 0.00 0.00 0.00 60.65 62.34 1i12 s ILE 97 Cb -0.19 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.07 1i12 s ILE 97 CO -0.06 0.32 0.09 -1.61 0.00 0.00 0.00 174.94 173.67 1i12 s GLU 98 N 0.13 0.66 -1.18 2.79 0.41 -0.30 -4.50 118.70 116.71 1i12 s GLU 98 Ca 0.42 -0.92 -0.10 0.00 -0.41 0.00 0.00 54.97 53.96 1i12 s GLU 98 Cb -0.21 0.25 -0.02 0.00 -1.78 0.00 0.00 34.13 32.37 1i12 s GLU 98 CO 0.25 -0.17 0.78 -0.25 -0.49 0.00 0.00 175.26 175.39 1i12 n ASP 99 N 0.40 -4.06 -4.68 -0.19 8.00 -1.26 -1.40 116.55 113.36 1i12 n ASP 99 Ca -0.17 -0.88 -0.39 0.00 0.71 0.00 0.00 54.79 54.06 1i12 n ASP 99 Cb 0.60 -4.01 -0.06 0.00 -0.02 0.00 0.00 41.12 37.62 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 -3.53 5.12 -0.19 0.53 -1.09 -1.26 -3.93 121.20 116.85 1i12 s ILE 100 Ca 0.30 0.99 -0.14 0.00 -2.23 0.00 0.00 60.65 59.57 1i12 s ILE 100 Cb -0.08 -3.85 0.05 0.00 -1.58 0.00 0.00 42.46 37.00 1i12 s ILE 100 CO 0.82 0.21 0.47 0.00 -1.23 0.00 0.00 174.94 175.21 1i12 s ALA 101 N 1.40 -1.20 -0.11 9.38 0.00 -0.59 -4.88 121.76 125.76 1i12 s ALA 101 Ca 0.25 1.53 0.03 0.00 0.00 0.00 0.00 51.96 53.77 1i12 s ALA 101 Cb -0.15 -0.91 -0.00 0.00 0.00 0.00 0.00 23.12 22.06 1i12 s ALA 101 CO 0.10 -0.26 -0.22 0.08 0.00 0.00 0.00 175.76 175.47 1i12 s VAL 102 N 0.85 2.24 0.46 0.00 1.01 -1.26 -0.84 120.40 122.85 1i12 s VAL 102 Ca -0.05 -0.95 -0.24 0.00 0.00 0.00 0.00 61.98 60.75 1i12 s VAL 102 Cb -0.05 -1.88 -0.09 0.00 0.00 0.00 0.00 36.38 34.36 1i12 s VAL 102 CO -0.07 0.55 1.12 0.59 0.00 0.00 0.00 175.10 177.29 1i12 n ASN 103 N 3.60 1.73 -0.28 3.32 5.03 -0.53 -4.72 115.26 123.41 1i12 n ASN 103 Ca -0.19 1.02 0.09 0.00 0.87 0.00 0.00 54.58 56.38 1i12 n ASN 103 Cb 0.53 -1.42 0.24 0.00 -1.02 0.00 0.00 39.78 38.11 1i12 n ASN 103 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1i12 h SER 104 N 1.56 0.15 0.68 6.41 0.02 -1.92 -0.03 113.55 120.42 1i12 h SER 104 Ca -0.47 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1i12 h SER 104 Cb 1.32 0.18 0.00 0.00 0.14 0.00 0.00 62.40 64.04 1i12 h SER 104 CO 0.57 -0.03 0.00 2.29 -1.14 0.00 0.00 176.83 178.52 1i12 n LYS 105 N -5.11 0.20 -0.04 3.45 2.85 -1.26 -2.26 118.16 116.00 1i12 n LYS 105 Ca 0.18 0.45 0.07 0.00 -1.05 0.00 0.00 58.31 57.96 1i12 n LYS 105 Cb 0.56 -1.90 0.08 0.00 -0.65 0.00 0.00 35.03 33.12 1i12 n LYS 105 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1i12 n TYR 106 N -2.28 0.09 -1.66 5.58 4.01 -0.06 -5.02 117.16 117.82 1i12 n TYR 106 Ca 0.02 -0.08 -0.32 0.00 -0.16 0.00 0.00 57.90 57.36 1i12 n TYR 106 Cb 0.22 -0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.30 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 -1.18 2.74 -1.15 -0.72 -0.21 -0.96 -3.93 119.66 114.24 1i12 s GLN 107 Ca 0.19 1.30 0.00 0.00 0.02 0.00 0.00 55.36 56.87 1i12 s GLN 107 Cb 0.13 -1.95 0.00 0.00 1.00 0.00 0.00 33.01 32.19 1i12 s GLN 107 CO 0.19 -1.29 0.00 0.41 -2.12 0.00 0.00 175.29 172.48 1i12 n GLY 108 N -0.81 0.53 0.00 3.09 0.00 -1.26 -4.87 105.19 101.87 1i12 n GLY 108 Ca 0.10 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.39 2.80 -0.36 1.61 6.02 -1.25 -4.99 117.38 118.82 1i12 n GLN 109 Ca -0.13 -1.43 0.00 0.00 -0.01 0.00 0.00 57.00 55.42 1i12 n GLN 109 Cb 0.51 -0.97 0.00 0.00 1.02 0.00 0.00 30.24 30.80 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 -0.47 0.76 0.21 1.08 0.00 -1.26 -4.96 105.19 100.55 1i12 n GLY 110 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.60 -0.35 0.99 3.38 -1.94 -1.92 115.31 116.07 1i12 h LEU 111 Ca 0.00 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1i12 h LEU 111 Cb 0.00 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1i12 h LEU 111 CO 0.00 1.03 0.21 1.23 0.09 0.00 0.00 178.44 181.00 1i12 h GLY 112 N 1.08 0.51 1.04 0.83 0.00 -1.93 -0.45 103.07 104.15 1i12 h GLY 112 Ca 0.01 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 1i12 h GLY 112 CO 0.10 0.21 0.23 1.70 0.00 0.00 0.00 176.54 178.78 1i12 h LYS 113 N 0.45 1.10 -0.63 4.80 3.64 -1.94 -1.15 116.57 122.85 1i12 h LYS 113 Ca 0.13 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1i12 h LYS 113 Cb 0.01 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 1i12 h LYS 113 CO -0.02 0.94 0.40 -0.07 -2.27 0.00 0.00 179.45 178.43 1i12 h LEU 114 N 1.05 0.73 -0.04 5.20 3.38 -1.04 0.09 115.31 124.67 1i12 h LEU 114 Ca 0.23 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1i12 h LEU 114 Cb 0.29 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1i12 h LEU 114 CO -0.01 0.54 0.02 0.25 0.09 0.00 0.00 178.44 179.34 1i12 h LEU 115 N 0.85 0.05 -0.48 1.67 5.85 -0.76 -1.62 115.31 120.85 1i12 h LEU 115 Ca 0.23 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.92 1i12 h LEU 115 Cb -0.07 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1i12 h LEU 115 CO -0.05 0.06 0.32 0.40 -0.34 0.00 0.00 178.44 178.83 1i12 h ILE 116 N 0.03 1.12 -0.93 4.05 1.08 -0.99 -1.13 117.51 120.73 1i12 h ILE 116 Ca 0.01 -0.22 0.07 0.00 -0.39 0.00 0.00 64.86 64.33 1i12 h ILE 116 Cb 0.02 0.41 -0.07 0.00 -3.07 0.00 0.00 36.82 34.12 1i12 h ILE 116 CO -0.00 0.12 0.59 0.44 -0.69 0.00 0.00 178.15 178.60 1i12 h ASP 117 N 0.65 0.92 -0.51 1.72 3.32 -0.81 0.25 116.42 121.96 1i12 h ASP 117 Ca 0.18 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.12 1i12 h ASP 117 Cb -0.07 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1i12 h ASP 117 CO -0.04 0.57 -0.17 1.56 -1.72 0.00 0.00 179.24 179.44 1i12 h GLN 118 N 1.04 1.02 -0.65 3.56 1.08 -0.68 -1.25 115.11 119.23 1i12 h GLN 118 Ca 0.42 -0.41 -0.09 0.00 -1.45 0.00 0.00 58.65 57.12 1i12 h GLN 118 Cb 0.23 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.59 1i12 h GLN 118 CO -0.19 1.10 0.07 -0.07 -0.95 0.00 0.00 178.83 178.79 1i12 h LEU 119 N 0.89 1.07 -0.62 1.46 3.38 -0.64 -1.63 115.31 119.21 1i12 h LEU 119 Ca 0.12 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1i12 h LEU 119 Cb 0.75 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1i12 h LEU 119 CO 0.06 1.07 0.33 0.58 0.09 0.00 0.00 178.44 180.57 1i12 h VAL 120 N 1.02 1.20 -0.69 1.22 2.07 -0.81 -1.45 116.25 118.81 1i12 h VAL 120 Ca 0.19 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1i12 h VAL 120 Cb 0.48 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1i12 h VAL 120 CO 0.02 0.22 0.34 0.74 0.02 0.00 0.00 177.57 178.91 1i12 h THR 121 N 0.84 1.23 -0.59 2.57 2.02 -0.94 -0.66 112.91 117.38 1i12 h THR 121 Ca 0.22 -0.63 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 1i12 h THR 121 Cb 0.06 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 1i12 h THR 121 CO -0.03 0.26 0.37 0.40 0.37 0.00 0.00 175.52 176.89 1i12 h ILE 122 N 0.96 1.17 -0.08 3.11 2.04 -0.93 0.49 117.51 124.27 1i12 h ILE 122 Ca 0.24 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1i12 h ILE 122 Cb 0.10 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1i12 h ILE 122 CO -0.03 0.17 0.01 1.23 0.00 0.00 0.00 178.15 179.53 1i12 h GLY 123 N 0.80 0.14 1.91 5.37 0.00 -0.89 -2.52 103.07 107.88 1i12 h GLY 123 Ca 0.21 -0.10 -0.11 0.00 0.00 0.00 0.00 47.33 47.34 1i12 h GLY 123 CO -0.04 0.09 -0.49 0.74 0.00 0.00 0.00 176.54 176.84 1i12 h PHE 124 N -0.12 0.12 0.00 5.60 0.04 -1.04 -2.13 116.94 119.40 1i12 h PHE 124 Ca 0.02 -0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 1i12 h PHE 124 Cb 0.30 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 1i12 h PHE 124 CO 0.02 0.57 -0.18 -0.44 -0.60 0.00 0.00 178.31 177.67 1i12 h ASP 125 N 0.08 0.00 1.07 2.17 3.32 -0.83 -1.43 116.42 120.80 1i12 h ASP 125 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1i12 h ASP 125 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 1i12 h ASP 125 CO 0.07 0.18 -0.00 -1.22 -1.72 0.00 0.00 179.24 176.55 1i12 n TYR 126 N -4.01 0.13 0.00 4.55 4.01 -0.84 -4.93 117.16 116.07 1i12 n TYR 126 Ca -0.02 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1i12 n TYR 126 Cb 0.27 -0.56 0.00 0.00 -0.31 0.00 0.00 39.34 38.73 1i12 n TYR 126 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i12 n GLY 127 N 1.47 1.05 3.77 2.72 0.00 -0.54 -5.05 105.19 108.61 1i12 n GLY 127 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 2.65 0.00 -3.28 0.00 -0.00 -1.49 -3.44 116.97 111.41 1i12 h TYR 129 Ca -0.51 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.19 1i12 h TYR 129 Cb 1.25 0.00 -0.12 0.00 -0.00 0.00 0.00 36.73 37.86 1i12 h TYR 129 CO 0.52 0.02 0.02 -1.59 -0.00 0.00 0.00 178.16 177.13 1i12 s LYS 130 N -3.28 1.20 -0.04 0.10 -2.85 -1.26 -5.10 119.74 108.51 1i12 s LYS 130 Ca 0.03 -0.69 0.02 0.00 -1.00 0.00 0.00 55.97 54.33 1i12 s LYS 130 Cb 0.07 0.51 0.01 0.00 -2.06 0.00 0.00 37.83 36.36 1i12 s LYS 130 CO 0.73 -0.50 -0.10 0.42 0.10 0.00 0.00 175.35 176.01 1i12 s ILE 131 N -3.81 0.91 0.18 3.79 1.01 -1.26 -1.73 121.20 120.29 1i12 s ILE 131 Ca 0.04 -0.38 0.06 0.00 0.00 0.00 0.00 60.65 60.37 1i12 s ILE 131 Cb 0.00 -0.83 -0.05 0.00 0.01 0.00 0.00 42.46 41.60 1i12 s ILE 131 CO -0.10 0.29 -0.12 0.27 0.00 0.00 0.00 174.94 175.29 1i12 s ILE 132 N 0.48 1.46 0.14 2.92 -4.36 -0.09 -4.97 121.20 116.78 1i12 s ILE 132 Ca -0.09 -2.14 -0.18 0.00 -0.26 0.00 0.00 60.65 57.99 1i12 s ILE 132 Cb -0.12 -1.98 0.04 0.00 1.25 0.00 0.00 42.46 41.64 1i12 s ILE 132 CO 0.02 -0.64 0.46 -1.48 0.24 0.00 0.00 174.94 173.53 1i12 s LEU 133 N -3.26 0.16 0.03 0.37 0.05 -1.26 -0.96 118.68 113.82 1i12 s LEU 133 Ca 0.20 -0.28 0.05 0.00 0.05 0.00 0.00 54.13 54.15 1i12 s LEU 133 Cb 0.01 2.03 -0.03 0.00 -2.05 0.00 0.00 46.19 46.15 1i12 s LEU 133 CO 0.04 -0.91 -0.10 -1.81 -0.55 0.00 0.00 176.35 173.02 1i12 s ASP 134 N -2.81 4.37 0.11 1.48 1.01 -1.26 -5.05 116.67 114.53 1i12 s ASP 134 Ca 0.04 -0.26 -0.13 0.00 0.71 0.00 0.00 52.55 52.90 1i12 s ASP 134 Cb 0.01 -0.92 0.02 0.00 1.01 0.00 0.00 42.92 43.04 1i12 s ASP 134 CO -0.11 0.26 0.32 0.00 0.21 0.00 0.00 175.17 175.85 1i12 s ASP 136 N -2.82 5.28 0.43 0.00 1.01 -1.26 -4.92 116.67 114.39 1i12 s ASP 136 Ca 0.04 1.85 0.21 0.00 0.71 0.00 0.00 52.55 55.36 1i12 s ASP 136 Cb 0.03 -2.53 1.16 0.00 1.01 0.00 0.00 42.92 42.59 1i12 s ASP 136 CO -0.12 -1.51 1.83 -0.08 0.21 0.00 0.00 175.17 175.50 1i12 h GLU 137 N -0.13 0.32 -0.07 8.23 4.57 -2.02 -0.71 114.58 124.78 1i12 h GLU 137 Ca -0.46 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 57.72 1i12 h GLU 137 Cb 1.23 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1i12 h GLU 137 CO 0.55 0.21 0.07 1.57 -1.18 0.00 0.00 179.01 180.24 1i12 h LYS 138 N 0.33 0.00 -0.01 1.92 2.10 -2.06 -2.04 116.57 116.81 1i12 h LYS 138 Ca 0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.16 1i12 h LYS 138 Cb 1.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.74 1i12 h LYS 138 CO -0.19 0.00 -0.34 0.09 -2.00 0.00 0.00 179.45 177.02 1i12 n ASN 139 N -3.94 1.17 -0.17 7.07 3.02 -0.27 -4.54 115.26 117.61 1i12 n ASN 139 Ca -0.01 -0.96 -0.03 0.00 -0.03 0.00 0.00 54.58 53.54 1i12 n ASN 139 Cb 0.17 0.23 0.07 0.00 -0.61 0.00 0.00 39.78 39.64 1i12 n ASN 139 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1i12 h VAL 140 N 1.31 0.86 -0.27 2.41 2.07 -1.45 -1.98 116.25 119.20 1i12 h VAL 140 Ca 0.00 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 1i12 h VAL 140 Cb 0.55 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1i12 h VAL 140 CO 0.00 0.07 -0.16 0.11 0.02 0.00 0.00 177.57 177.61 1i12 h LYS 141 N 0.40 0.47 -0.22 1.57 1.57 -1.81 0.03 116.57 118.59 1i12 h LYS 141 Ca 0.24 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1i12 h LYS 141 Cb 0.24 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1i12 h LYS 141 CO -0.23 0.63 0.14 0.35 -0.57 0.00 0.00 179.45 179.76 1i12 h PHE 142 N 0.43 0.28 -0.12 -1.35 3.57 -1.75 -1.27 116.94 116.74 1i12 h PHE 142 Ca 0.08 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 1i12 h PHE 142 Cb 0.54 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1i12 h PHE 142 CO 0.02 0.21 -0.28 1.88 -2.23 0.00 0.00 178.31 177.90 1i12 h TYR 143 N 0.27 0.24 -0.58 0.41 0.05 -0.79 -1.56 116.97 115.02 1i12 h TYR 143 Ca 0.08 -0.05 -0.08 0.00 0.05 0.00 0.00 58.73 58.73 1i12 h TYR 143 Cb 0.00 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.66 1i12 h TYR 143 CO -0.05 0.48 0.04 0.93 -1.05 0.00 0.00 178.16 178.51 1i12 h GLU 144 N 0.19 0.96 0.00 4.88 5.08 -0.77 -0.81 114.58 124.12 1i12 h GLU 144 Ca 0.03 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1i12 h GLU 144 Cb 0.60 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1i12 h GLU 144 CO 0.04 0.93 -0.01 0.87 -1.00 0.00 0.00 179.01 179.84 1i12 h LYS 145 N 0.90 0.00 -0.32 2.33 1.79 -0.26 -0.87 116.57 120.14 1i12 h LYS 145 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1i12 h LYS 145 Cb 0.47 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1i12 h LYS 145 CO 0.02 0.01 0.00 0.00 -1.08 0.00 0.00 179.45 178.40 1i12 n GLY 147 N 1.21 0.72 3.91 0.00 0.00 -0.33 -4.95 105.19 105.75 1i12 n GLY 147 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.41 3.55 0.11 1.61 0.40 -0.43 -4.99 117.98 115.82 1i12 s PHE 148 Ca 0.00 0.79 0.03 0.00 -0.60 0.00 0.00 56.93 57.14 1i12 s PHE 148 Cb 0.00 -2.27 -0.04 0.00 0.51 0.00 0.00 43.02 41.22 1i12 s PHE 148 CO 0.00 -0.22 -0.08 -1.54 0.70 0.00 0.00 175.22 174.08 1i12 s SER 149 N -4.01 1.34 0.26 1.36 1.04 -1.26 -4.04 113.70 108.38 1i12 s SER 149 Ca 0.47 -0.95 -0.31 0.00 0.48 0.00 0.00 55.95 55.64 1i12 s SER 149 Cb -0.10 0.05 -0.12 0.00 0.10 0.00 0.00 66.02 65.95 1i12 s SER 149 CO 0.43 -0.38 1.64 -3.20 0.98 0.00 0.00 173.24 172.70 1i12 n ASN 150 N 0.10 3.88 0.00 7.02 5.15 -1.26 -4.90 115.26 125.25 1i12 n ASN 150 Ca -0.13 1.12 0.00 0.00 -0.60 0.00 0.00 54.58 54.97 1i12 n ASN 150 Cb 0.60 -1.58 0.00 0.00 -0.53 0.00 0.00 39.78 38.27 1i12 n ASN 150 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1i12 n ALA 151 N 2.80 1.45 0.00 5.20 0.00 -1.26 -5.14 120.51 123.57 1i12 n ALA 151 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1i12 n ALA 151 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 1.38 -0.72 3.30 0.00 0.00 -1.26 -5.14 105.19 102.75 1i12 n GLY 152 Ca 0.00 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 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 2.37 -0.04 1.61 1.01 -1.26 -5.12 120.40 115.97 1i12 s VAL 153 Ca 0.00 -0.94 -0.24 0.00 0.00 0.00 0.00 61.98 60.80 1i12 s VAL 153 Cb 0.00 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 1i12 s VAL 153 CO 0.00 0.56 0.73 -0.70 0.00 0.00 0.00 175.10 175.69 1i12 s GLU 154 N -0.01 4.45 0.13 2.72 2.12 -1.26 -5.07 118.70 121.78 1i12 s GLU 154 Ca -0.07 0.94 0.11 0.00 0.36 0.00 0.00 54.97 56.31 1i12 s GLU 154 Cb -0.15 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 1i12 s GLU 154 CO 0.05 0.10 -0.26 -1.64 -0.54 0.00 0.00 175.26 172.97 1i12 s MET 155 N 0.65 1.37 0.05 4.30 -1.94 -1.26 -5.15 119.30 117.32 1i12 s MET 155 Ca 0.38 -1.35 -0.05 0.00 -1.71 0.00 0.00 55.69 52.97 1i12 s MET 155 Cb -0.18 -1.81 -0.02 0.00 2.01 0.00 0.00 34.83 34.84 1i12 s MET 155 CO 0.19 0.42 0.09 1.14 -0.01 0.00 0.00 175.02 176.86 1i12 s GLN 156 N -2.13 0.66 -0.01 2.03 -2.07 -1.26 -5.15 119.66 111.73 1i12 s GLN 156 Ca 0.14 -0.91 0.01 0.00 -1.82 0.00 0.00 55.36 52.77 1i12 s GLN 156 Cb -0.10 0.25 0.01 0.00 -1.09 0.00 0.00 33.01 32.09 1i12 s GLN 156 CO 0.06 -0.17 -0.02 -1.50 -1.32 0.00 0.00 175.29 172.35 1i12 s ILE 157 N -3.23 0.21 0.06 3.63 2.07 -1.26 -5.16 121.20 117.52 1i12 s ILE 157 Ca 0.00 -0.05 0.04 0.00 -1.41 0.00 0.00 60.65 59.23 1i12 s ILE 157 Cb 0.02 -0.22 -0.04 0.00 0.13 0.00 0.00 42.46 42.36 1i12 s ILE 157 CO -0.07 0.09 0.01 -0.13 -1.91 0.00 0.00 174.94 172.93 1i12 s ARG 158 N 0.31 2.67 0.00 3.50 1.81 -1.26 -5.37 118.95 120.60 1i12 s ARG 158 Ca -0.03 -0.75 0.15 0.00 -1.72 0.00 0.00 55.73 53.38 1i12 s ARG 158 Cb -0.05 -2.61 0.88 0.00 -0.45 0.00 0.00 34.95 32.72 1i12 s ARG 158 CO -0.01 0.57 1.29 1.17 -0.68 0.00 0.00 175.30 177.65