#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1d n PRO 4 N 0.00 -3.12 -3.20 3.23 -0.02 -1.26 -4.85 135.00 125.78 1i1d n PRO 4 Ca 0.00 -0.91 -0.33 0.00 -2.02 0.00 0.00 63.50 60.24 1i1d n PRO 4 Cb 0.00 -1.80 -0.06 0.00 -0.02 0.00 0.00 33.50 31.62 1i1d n PRO 4 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1i1d s ASP 5 N -2.40 6.79 0.00 2.55 1.01 -1.26 -3.12 116.67 120.24 1i1d s ASP 5 Ca 0.57 1.22 0.00 0.00 0.71 0.00 0.00 52.55 55.05 1i1d s ASP 5 Cb -0.13 -2.35 0.00 0.00 1.01 0.00 0.00 42.92 41.45 1i1d s ASP 5 CO 0.54 -0.13 0.00 0.61 0.21 0.00 0.00 175.17 176.40 1i1d n GLY 6 N -0.10 0.59 3.24 0.21 0.00 -1.26 -5.03 105.19 102.84 1i1d n GLY 6 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 1i1d n GLY 6 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i1d s PHE 7 N -2.23 1.32 0.20 1.61 0.40 -1.18 0.13 117.98 118.23 1i1d s PHE 7 Ca 0.00 -0.63 -0.10 0.00 -0.60 0.00 0.00 56.93 55.60 1i1d s PHE 7 Cb 0.00 -0.68 -0.01 0.00 0.51 0.00 0.00 43.02 42.84 1i1d s PHE 7 CO 0.00 0.12 0.34 1.52 0.70 0.00 0.00 175.22 177.89 1i1d s TYR 8 N -2.61 0.46 0.01 0.36 -0.85 -0.66 -3.92 117.35 110.14 1i1d s TYR 8 Ca 0.12 -0.80 0.07 0.00 -0.52 0.00 0.00 57.07 55.93 1i1d s TYR 8 Cb -0.02 -0.02 -0.02 0.00 0.38 0.00 0.00 41.96 42.28 1i1d s TYR 8 CO 0.02 -0.80 -0.20 -1.50 -1.52 0.00 0.00 175.55 171.54 1i1d s ILE 9 N -4.00 1.59 0.22 -3.49 2.07 -1.26 -0.47 121.20 115.86 1i1d s ILE 9 Ca 0.21 -0.99 -0.15 0.00 -1.41 0.00 0.00 60.65 58.32 1i1d s ILE 9 Cb 0.02 -1.35 0.01 0.00 0.13 0.00 0.00 42.46 41.27 1i1d s ILE 9 CO 0.04 0.34 0.49 0.00 -1.91 0.00 0.00 174.94 173.91 1i1d s ARG 10 N -0.76 1.47 0.52 3.50 1.70 -0.62 -5.00 118.95 119.78 1i1d s ARG 10 Ca 0.07 -1.10 -0.21 0.00 -0.47 0.00 0.00 55.73 54.03 1i1d s ARG 10 Cb -0.08 0.49 -0.06 0.00 -0.57 0.00 0.00 34.95 34.73 1i1d s ARG 10 CO 0.00 -0.62 1.19 1.03 -1.08 0.00 0.00 175.30 175.83 1i1d s ARG 11 N -3.96 3.39 0.46 3.89 0.52 -1.26 -0.64 118.95 121.35 1i1d s ARG 11 Ca 0.17 1.80 -0.24 0.00 -0.52 0.00 0.00 55.73 56.94 1i1d s ARG 11 Cb -0.01 -2.17 -0.07 0.00 0.52 0.00 0.00 34.95 33.22 1i1d s ARG 11 CO 0.04 -0.86 1.27 1.41 0.02 0.00 0.00 175.30 177.18 1i1d s MET 12 N -3.03 3.70 0.29 3.54 -2.45 0.35 -4.71 119.30 116.99 1i1d s MET 12 Ca 0.70 2.06 0.06 0.00 -1.25 0.00 0.00 55.69 57.26 1i1d s MET 12 Cb -0.29 -2.52 -0.06 0.00 1.25 0.00 0.00 34.83 33.20 1i1d s MET 12 CO 0.34 -0.68 -0.02 -1.21 1.05 0.00 0.00 175.02 174.49 1i1d s GLU 13 N -2.55 1.58 0.36 4.11 2.02 -1.26 -5.00 118.70 117.96 1i1d s GLU 13 Ca 0.63 -1.82 0.13 0.00 0.02 0.00 0.00 54.97 53.92 1i1d s GLU 13 Cb -0.36 -1.08 0.96 0.00 0.10 0.00 0.00 34.13 33.76 1i1d s GLU 13 CO 0.44 -0.03 1.77 0.93 0.02 0.00 0.00 175.26 178.40 1i1d h GLU 14 N 2.23 0.52 0.00 1.61 5.08 -1.95 -0.95 114.58 121.12 1i1d h GLU 14 Ca -0.40 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1i1d h GLU 14 Cb 1.24 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1i1d h GLU 14 CO 0.68 0.34 0.00 0.41 -1.00 0.00 0.00 179.01 179.45 1i1d n GLY 15 N -1.40 -0.95 0.08 -3.84 0.00 -1.26 -3.24 105.19 94.58 1i1d n GLY 15 Ca 0.24 -0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.35 1i1d n GLY 15 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1i1d n ASP 16 N -1.38 0.27 -0.17 1.61 8.00 -0.36 -4.46 116.55 120.05 1i1d n ASP 16 Ca 0.06 -0.94 -0.08 0.00 0.71 0.00 0.00 54.79 54.54 1i1d n ASP 16 Cb 0.16 -0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.20 1i1d n ASP 16 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1i1d h LEU 17 N 0.40 -1.31 -0.36 0.64 5.85 -1.75 0.23 115.31 119.02 1i1d h LEU 17 Ca 0.00 0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 1i1d h LEU 17 Cb 0.14 0.60 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1i1d h LEU 17 CO 0.00 -0.33 0.08 -0.08 -0.34 0.00 0.00 178.44 177.77 1i1d h GLU 18 N -0.24 0.58 -0.01 1.25 4.57 -1.91 -0.15 114.58 118.67 1i1d h GLU 18 Ca 0.18 -0.14 -0.16 0.00 -1.18 0.00 0.00 59.36 58.06 1i1d h GLU 18 Cb 0.56 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 1i1d h GLU 18 CO -0.63 0.63 -0.73 1.96 -1.18 0.00 0.00 179.01 179.06 1i1d h GLN 19 N 0.43 0.06 -0.21 1.92 4.20 -1.75 -1.97 115.11 117.78 1i1d h GLN 19 Ca 0.11 -0.05 -0.15 0.00 0.06 0.00 0.00 58.65 58.61 1i1d h GLN 19 Cb 0.31 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1i1d h GLN 19 CO 0.00 0.76 -0.50 0.28 -0.67 0.00 0.00 178.83 178.70 1i1d h VAL 20 N 0.04 1.31 -0.23 -0.54 2.07 -0.42 -1.47 116.25 117.00 1i1d h VAL 20 Ca -0.01 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 65.79 1i1d h VAL 20 Cb 1.29 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1i1d h VAL 20 CO 0.10 0.54 0.15 0.74 0.02 0.00 0.00 177.57 179.12 1i1d h THR 21 N 0.46 1.07 -0.89 2.57 2.02 -0.79 0.29 112.91 117.64 1i1d h THR 21 Ca 0.02 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 67.05 1i1d h THR 21 Cb 1.04 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 1i1d h THR 21 CO 0.10 0.07 0.59 -0.08 0.37 0.00 0.00 175.52 176.57 1i1d h GLU 22 N 0.30 1.17 -0.02 6.66 4.57 -1.23 -2.47 114.58 123.57 1i1d h GLU 22 Ca 0.08 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1i1d h GLU 22 Cb -0.01 -0.26 -0.00 0.00 -0.16 0.00 0.00 28.75 28.31 1i1d h GLU 22 CO -0.02 0.78 -0.01 1.15 -1.18 0.00 0.00 179.01 179.73 1i1d h THR 23 N 1.21 1.31 0.00 0.32 2.02 -0.95 -3.19 112.91 113.63 1i1d h THR 23 Ca 0.33 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1i1d h THR 23 Cb -0.14 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1i1d h THR 23 CO -0.07 0.25 0.00 -0.07 0.37 0.00 0.00 175.52 176.00 1i1d h LEU 24 N -0.34 0.00 -2.65 2.58 3.38 -0.77 -2.77 115.31 114.74 1i1d h LEU 24 Ca 0.01 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1i1d h LEU 24 Cb 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1i1d h LEU 24 CO 0.00 0.00 0.08 0.11 0.09 0.00 0.00 178.44 178.72 1i1d h LYS 25 N 0.00 0.00 0.00 1.13 1.57 -1.43 0.14 116.57 117.98 1i1d h LYS 25 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1i1d h LYS 25 Cb 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1i1d h LYS 25 CO 0.00 0.00 -0.06 -0.39 -0.57 0.00 0.00 179.45 178.43 1i1d h VAL 26 N 0.00 0.14 0.00 0.50 -1.51 -1.69 -3.32 116.25 110.37 1i1d h VAL 26 Ca 0.01 -0.87 -0.23 0.00 -1.23 0.00 0.00 66.70 64.38 1i1d h VAL 26 Cb 0.17 1.77 -0.03 0.00 -2.13 0.00 0.00 31.29 31.06 1i1d h VAL 26 CO -0.00 0.06 -1.28 -0.11 -1.23 0.00 0.00 177.57 175.01 1i1d n LEU 27 N -3.15 1.86 0.00 4.19 7.94 0.44 -5.07 117.00 123.21 1i1d n LEU 27 Ca 0.02 0.43 -0.01 0.00 -1.11 0.00 0.00 56.01 55.34 1i1d n LEU 27 Cb 0.42 -0.96 0.00 0.00 0.53 0.00 0.00 43.42 43.42 1i1d n LEU 27 CO 0.31 0.26 0.11 1.07 -1.11 0.00 0.00 177.39 178.03 1i1d n THR 28 N -4.43 0.00 -2.28 1.96 5.66 -0.99 -5.13 114.28 109.06 1i1d n THR 28 Ca -0.32 -0.12 -0.42 0.00 -3.05 0.00 0.00 64.05 60.13 1i1d n THR 28 Cb 0.67 0.14 -0.03 0.00 -1.55 0.00 0.00 70.33 69.57 1i1d n THR 28 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1i1d s THR 29 N -2.64 3.91 -0.27 1.09 2.01 -1.26 -4.14 115.64 114.33 1i1d s THR 29 Ca 0.03 1.23 -0.12 0.00 0.31 0.00 0.00 61.69 63.15 1i1d s THR 29 Cb -0.01 -3.79 -0.13 0.00 0.01 0.00 0.00 72.50 68.58 1i1d s THR 29 CO 0.01 -0.03 -0.31 0.52 -0.69 0.00 0.00 174.62 174.12 1i1d n VAL 30 N 4.88 1.53 -3.47 3.82 0.31 -1.26 -5.05 118.33 119.09 1i1d n VAL 30 Ca 0.13 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1i1d n VAL 30 Cb 0.44 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 1i1d n VAL 30 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1i1d n GLY 31 N 1.43 -1.81 3.77 2.92 0.00 -1.26 -4.85 105.19 105.38 1i1d n GLY 31 Ca -0.53 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 1i1d n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i1d s THR 32 N 0.00 5.38 -0.05 2.61 2.01 -1.26 -5.09 115.64 119.24 1i1d s THR 32 Ca 0.00 0.34 0.03 0.00 0.31 0.00 0.00 61.69 62.37 1i1d s THR 32 Cb 0.00 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 68.99 1i1d s THR 32 CO 0.00 0.47 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.63 1i1d s ILE 33 N 0.02 1.26 0.37 1.82 1.01 -1.26 -5.14 121.20 119.28 1i1d s ILE 33 Ca 0.13 -0.59 -0.22 0.00 0.00 0.00 0.00 60.65 59.97 1i1d s ILE 33 Cb -0.12 -1.11 -0.10 0.00 0.01 0.00 0.00 42.46 41.13 1i1d s ILE 33 CO 0.02 0.38 0.91 0.42 0.00 0.00 0.00 174.94 176.66 1i1d s THR 34 N 0.31 4.38 0.26 2.92 -4.23 -1.26 -4.94 115.64 113.09 1i1d s THR 34 Ca -0.09 1.52 -0.01 0.00 -1.18 0.00 0.00 61.69 61.93 1i1d s THR 34 Cb -0.13 -3.75 0.25 0.00 1.34 0.00 0.00 72.50 70.21 1i1d s THR 34 CO 0.03 -0.12 1.82 -0.65 -0.54 0.00 0.00 174.62 175.16 1i1d h PRO 35 N 2.47 0.84 -0.72 3.99 0.11 -1.99 -0.61 132.00 136.10 1i1d h PRO 35 Ca -0.48 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.60 1i1d h PRO 35 Cb 1.18 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.06 1i1d h PRO 35 CO 0.63 0.56 0.46 1.49 -0.21 0.00 0.00 178.00 180.93 1i1d h GLU 36 N 0.87 0.90 -0.09 1.05 4.81 -2.00 -0.14 114.58 119.99 1i1d h GLU 36 Ca 0.45 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.48 1i1d h GLU 36 Cb 0.45 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1i1d h GLU 36 CO -0.27 0.60 -0.58 0.77 -0.73 0.00 0.00 179.01 178.79 1i1d h SER 37 N 0.93 0.31 -0.44 1.04 0.02 -1.71 -2.50 113.55 111.20 1i1d h SER 37 Ca 0.27 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 1i1d h SER 37 Cb -0.05 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1i1d h SER 37 CO -0.08 0.83 -0.06 0.15 -1.14 0.00 0.00 176.83 176.52 1i1d h PHE 38 N 0.21 0.91 -0.97 3.45 3.57 -0.73 -1.29 116.94 122.08 1i1d h PHE 38 Ca -0.00 -0.18 0.06 0.00 3.53 0.00 0.00 57.97 61.37 1i1d h PHE 38 Cb 1.08 -0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.53 1i1d h PHE 38 CO 0.02 0.90 0.63 0.00 -2.23 0.00 0.00 178.31 177.63 1i1d h LYS 40 N 1.16 0.92 -0.27 0.00 1.57 -1.14 -1.17 116.57 117.63 1i1d h LYS 40 Ca 0.41 -0.35 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1i1d h LYS 40 Cb 0.13 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1i1d h LYS 40 CO -0.16 1.00 0.02 1.25 -0.57 0.00 0.00 179.45 180.99 1i1d h LEU 41 N 0.81 0.45 -0.87 2.94 5.85 -0.62 -1.08 115.31 122.79 1i1d h LEU 41 Ca 0.12 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 1i1d h LEU 41 Cb 0.69 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1i1d h LEU 41 CO 0.05 0.63 0.32 0.40 -0.34 0.00 0.00 178.44 179.50 1i1d h ILE 42 N 0.26 1.25 -0.53 4.05 1.08 -0.81 0.14 117.51 122.95 1i1d h ILE 42 Ca 0.08 -0.79 -0.03 0.00 -0.39 0.00 0.00 64.86 63.73 1i1d h ILE 42 Cb 0.39 0.32 -0.02 0.00 -3.07 0.00 0.00 36.82 34.43 1i1d h ILE 42 CO 0.01 0.32 0.20 0.50 -0.69 0.00 0.00 178.15 178.49 1i1d h LYS 43 N 1.12 0.81 -0.46 2.37 3.64 -1.08 0.63 116.57 123.60 1i1d h LYS 43 Ca 0.26 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1i1d h LYS 43 Cb 0.19 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1i1d h LYS 43 CO -0.02 0.72 0.19 -0.92 -2.27 0.00 0.00 179.45 177.15 1i1d h TYR 44 N 0.73 0.68 0.00 1.91 3.20 -0.73 -2.12 116.97 120.64 1i1d h TYR 44 Ca 0.18 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 1i1d h TYR 44 Cb 0.22 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.28 1i1d h TYR 44 CO 0.01 0.58 -0.12 -1.49 -1.64 0.00 0.00 178.16 175.50 1i1d h TRP 45 N 0.59 0.00 -0.00 -3.82 6.55 -0.22 -1.54 115.95 117.51 1i1d h TRP 45 Ca 0.15 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.99 1i1d h TRP 45 Cb 0.17 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.47 1i1d h TRP 45 CO -0.00 0.12 -0.35 0.09 -1.05 0.00 0.00 178.44 177.25 1i1d n ASN 46 N -3.45 0.44 -0.04 -3.49 3.02 0.17 -4.24 115.26 107.67 1i1d n ASN 46 Ca -0.01 -0.18 -0.04 0.00 -0.03 0.00 0.00 54.58 54.32 1i1d n ASN 46 Cb 0.28 0.06 -0.07 0.00 -0.61 0.00 0.00 39.78 39.45 1i1d n ASN 46 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1i1d n GLU 47 N -1.38 2.56 -1.80 3.52 1.02 -0.84 -5.01 120.64 118.71 1i1d n GLU 47 Ca 0.07 -0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.79 1i1d n GLU 47 Cb 0.33 -1.22 -0.03 0.00 -0.02 0.00 0.00 31.44 30.50 1i1d n GLU 47 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i1d s ALA 48 N -2.21 3.78 0.22 0.62 0.00 -0.63 -5.00 121.76 118.53 1i1d s ALA 48 Ca -0.04 1.40 0.08 0.00 0.00 0.00 0.00 51.96 53.40 1i1d s ALA 48 Cb 0.03 -3.72 -0.05 0.00 0.00 0.00 0.00 23.12 19.38 1i1d s ALA 48 CO 0.36 -1.09 -0.14 0.95 0.00 0.00 0.00 175.76 175.84 1i1d s THR 49 N 2.24 1.82 -0.15 0.00 -4.23 -1.26 -2.11 115.64 111.96 1i1d s THR 49 Ca 0.77 -2.23 -0.07 0.00 -1.18 0.00 0.00 61.69 58.98 1i1d s THR 49 Cb -0.45 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.22 1i1d s THR 49 CO 0.34 -0.53 0.10 -0.69 -0.54 0.00 0.00 174.62 173.30 1i1d s VAL 50 N -2.92 5.19 0.24 2.29 1.01 -0.20 -4.76 120.40 121.25 1i1d s VAL 50 Ca 0.24 0.10 -0.31 0.00 0.00 0.00 0.00 61.98 62.01 1i1d s VAL 50 Cb -0.01 -3.29 -0.13 0.00 0.00 0.00 0.00 36.38 32.96 1i1d s VAL 50 CO 0.09 0.55 1.56 1.87 0.00 0.00 0.00 175.10 179.16 1i1d n TRP 51 N 2.66 2.55 -3.94 5.22 -0.00 -1.26 -4.39 117.44 118.28 1i1d n TRP 51 Ca -0.18 0.27 -0.28 0.00 -0.00 0.00 0.00 57.50 57.31 1i1d n TRP 51 Cb 0.54 -2.56 -0.17 0.00 -0.00 0.00 0.00 31.31 29.12 1i1d n TRP 51 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1i1d s ASN 52 N 0.61 2.43 0.36 5.87 2.47 -1.26 -5.01 114.94 120.41 1i1d s ASN 52 Ca 0.69 -0.41 0.00 0.00 0.42 0.00 0.00 52.86 53.56 1i1d s ASN 52 Cb -0.57 -0.96 0.00 0.00 -1.45 0.00 0.00 41.25 38.27 1i1d s ASN 52 CO 0.44 -0.11 0.55 -0.67 -3.72 0.00 0.00 177.10 173.59 1i1d n ASP 53 N 4.88 0.00 -1.75 -4.21 2.03 -1.26 -5.11 116.55 111.13 1i1d n ASP 53 Ca -0.14 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1i1d n ASP 53 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 1i1d n ASP 53 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1i1d n LYS 57 N -1.59 -3.34 -3.32 -0.67 4.81 -1.26 -5.34 118.16 107.45 1i1d n LYS 57 Ca 0.00 2.59 -0.38 0.00 -0.87 0.00 0.00 58.31 59.65 1i1d n LYS 57 Cb 0.55 -3.03 -0.06 0.00 0.02 0.00 0.00 35.03 32.51 1i1d n LYS 57 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1i1d s LYS 58 N -1.24 4.29 -0.19 1.64 2.36 -1.26 -5.05 119.74 120.29 1i1d s LYS 58 Ca 0.00 0.40 0.00 0.00 -2.55 0.00 0.00 55.97 53.82 1i1d s LYS 58 Cb 0.00 -3.47 0.02 0.00 -1.05 0.00 0.00 37.83 33.33 1i1d s LYS 58 CO 0.00 0.09 -0.17 0.42 1.55 0.00 0.00 175.35 177.24 1i1d s ILE 59 N 0.87 2.30 -0.14 5.43 1.01 -1.26 -5.05 121.20 124.36 1i1d s ILE 59 Ca 0.24 -0.91 -0.29 0.00 0.00 0.00 0.00 60.65 59.69 1i1d s ILE 59 Cb -0.15 -2.01 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 1i1d s ILE 59 CO 0.09 0.48 1.06 -0.04 0.00 0.00 0.00 174.94 176.54 1i1d s MET 60 N 1.31 4.35 0.22 2.79 -1.94 -1.26 -1.04 119.30 123.73 1i1d s MET 60 Ca 0.04 1.44 -0.06 0.00 -1.71 0.00 0.00 55.69 55.41 1i1d s MET 60 Cb -0.14 -3.59 0.19 0.00 2.01 0.00 0.00 34.83 33.31 1i1d s MET 60 CO -0.11 -0.45 1.73 0.37 -0.01 0.00 0.00 175.02 176.54 1i1d h GLN 61 N 7.33 1.01 -5.92 2.03 4.15 -1.72 -3.42 115.11 118.57 1i1d h GLN 61 Ca -0.28 -0.26 -0.67 0.00 0.77 0.00 0.00 58.65 58.21 1i1d h GLN 61 Cb 1.12 -0.12 -0.20 0.00 0.21 0.00 0.00 27.48 28.48 1i1d h GLN 61 CO 0.90 0.94 -0.70 0.71 -1.93 0.00 0.00 178.83 178.75 1i1d s TYR 62 N -5.16 2.94 -0.39 3.99 1.51 -1.26 -0.31 117.35 118.66 1i1d s TYR 62 Ca -0.11 -0.10 0.08 0.00 -1.01 0.00 0.00 57.07 55.93 1i1d s TYR 62 Cb 0.15 -1.77 0.26 0.00 -0.11 0.00 0.00 41.96 40.49 1i1d s TYR 62 CO 0.84 0.21 0.54 0.09 -1.11 0.00 0.00 175.55 176.12 1i1d n ASN 63 N 2.58 0.30 -4.67 2.29 3.02 -0.92 -4.88 115.26 112.98 1i1d n ASN 63 Ca -0.18 -2.73 -0.43 0.00 -0.03 0.00 0.00 54.58 51.21 1i1d n ASN 63 Cb 0.53 -0.64 -0.02 0.00 -0.61 0.00 0.00 39.78 39.03 1i1d n ASN 63 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1i1d s PRO 64 N -1.31 4.27 0.15 3.52 0.04 -1.26 -2.99 135.00 137.43 1i1d s PRO 64 Ca 0.36 1.75 0.11 0.00 0.04 0.00 0.00 61.00 63.25 1i1d s PRO 64 Cb 0.18 -3.69 -0.04 0.00 0.04 0.00 0.00 34.50 30.99 1i1d s PRO 64 CO -0.11 -0.62 -0.23 -1.64 0.04 0.00 0.00 177.00 174.44 1i1d s MET 65 N 2.98 1.55 0.00 4.56 -1.94 0.33 -0.49 119.30 126.30 1i1d s MET 65 Ca 0.58 -1.38 0.04 0.00 -1.71 0.00 0.00 55.69 53.22 1i1d s MET 65 Cb -0.25 -1.93 -0.01 0.00 2.01 0.00 0.00 34.83 34.64 1i1d s MET 65 CO 0.20 0.44 -0.13 0.14 -0.01 0.00 0.00 175.02 175.65 1i1d s VAL 66 N -1.34 1.06 -0.19 -6.03 -7.23 0.19 -2.24 120.40 104.62 1i1d s VAL 66 Ca 0.18 -0.69 -0.08 0.00 -1.81 0.00 0.00 61.98 59.58 1i1d s VAL 66 Cb -0.09 -0.91 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 1i1d s VAL 66 CO 0.09 0.21 0.07 -0.63 -0.31 0.00 0.00 175.10 174.52 1i1d s ILE 67 N -0.47 4.85 -0.07 -0.62 1.01 -0.28 -1.58 121.20 124.04 1i1d s ILE 67 Ca 0.04 -0.01 0.05 0.00 0.00 0.00 0.00 60.65 60.73 1i1d s ILE 67 Cb -0.06 -3.19 -0.01 0.00 0.01 0.00 0.00 42.46 39.21 1i1d s ILE 67 CO 0.00 0.46 -0.21 -0.69 0.00 0.00 0.00 174.94 174.49 1i1d s VAL 68 N 0.40 2.36 -0.45 2.92 1.01 0.37 0.13 120.40 127.14 1i1d s VAL 68 Ca 0.04 -0.95 -0.27 0.00 0.00 0.00 0.00 61.98 60.79 1i1d s VAL 68 Cb -0.12 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.39 1i1d s VAL 68 CO 0.00 0.57 1.04 -0.62 0.00 0.00 0.00 175.10 176.09 1i1d s ASP 69 N -0.12 6.61 0.41 3.32 -1.08 -0.12 -1.65 116.67 124.05 1i1d s ASP 69 Ca -0.04 0.40 0.29 0.00 -0.52 0.00 0.00 52.55 52.68 1i1d s ASP 69 Cb -0.14 -2.51 1.40 0.00 -1.46 0.00 0.00 42.92 40.21 1i1d s ASP 69 CO 0.04 -1.12 1.88 0.11 0.52 0.00 0.00 175.17 176.60 1i1d h LYS 70 N 9.03 0.00 -0.90 4.34 1.57 0.76 -0.82 116.57 130.55 1i1d h LYS 70 Ca -0.23 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.55 1i1d h LYS 70 Cb 1.07 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.33 1i1d h LYS 70 CO 1.07 0.00 0.59 0.00 -0.57 0.00 0.00 179.45 180.54 1i1d h ARG 71 N 0.00 1.19 0.00 3.15 3.08 -1.92 -3.27 114.38 116.62 1i1d h ARG 71 Ca 0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1i1d h ARG 71 Cb 0.22 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1i1d h ARG 71 CO 0.00 0.80 0.00 0.25 -1.07 0.00 0.00 179.97 179.95 1i1d n THR 72 N -4.39 0.42 -3.71 2.04 -2.24 -1.19 -5.01 114.28 100.21 1i1d n THR 72 Ca 0.10 -0.42 -0.25 0.00 -2.27 0.00 0.00 64.05 61.22 1i1d n THR 72 Cb 0.03 0.79 0.03 0.00 -2.10 0.00 0.00 70.33 69.08 1i1d n THR 72 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1i1d n GLU 73 N -0.21 -3.28 -4.20 -0.78 -0.58 -0.35 -4.98 120.64 106.26 1i1d n GLU 73 Ca 0.00 0.55 -0.35 0.00 -0.42 0.00 0.00 57.16 56.94 1i1d n GLU 73 Cb 0.39 -4.79 -0.10 0.00 -0.57 0.00 0.00 31.44 26.38 1i1d n GLU 73 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1i1d s THR 74 N -3.65 4.55 -0.06 2.62 2.01 -0.99 -4.91 115.64 115.21 1i1d s THR 74 Ca 0.18 -0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.74 1i1d s THR 74 Cb -0.05 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 1i1d s THR 74 CO 0.84 0.54 1.39 -0.69 -0.69 0.00 0.00 174.62 176.01 1i1d s VAL 75 N -0.29 3.90 -0.11 3.82 1.01 -1.26 -0.95 120.40 126.51 1i1d s VAL 75 Ca 0.07 1.19 0.20 0.00 0.00 0.00 0.00 61.98 63.44 1i1d s VAL 75 Cb -0.12 -3.77 -0.28 0.00 0.00 0.00 0.00 36.38 32.21 1i1d s VAL 75 CO 0.02 -0.05 0.34 0.00 0.00 0.00 0.00 175.10 175.41 1i1d n ALA 76 N 6.03 2.19 -3.41 5.51 0.00 0.12 -4.81 120.51 126.14 1i1d n ALA 76 Ca 0.14 -0.86 -0.13 0.00 0.00 0.00 0.00 53.44 52.58 1i1d n ALA 76 Cb 0.44 -0.53 -0.03 0.00 0.00 0.00 0.00 19.45 19.32 1i1d n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i1d s ALA 77 N -3.04 -1.58 0.01 0.00 0.00 -1.03 -0.12 121.76 116.01 1i1d s ALA 77 Ca -0.08 0.66 -0.10 0.00 0.00 0.00 0.00 51.96 52.43 1i1d s ALA 77 Cb 0.10 0.63 0.01 0.00 0.00 0.00 0.00 23.12 23.86 1i1d s ALA 77 CO 0.87 -0.65 0.21 -0.08 0.00 0.00 0.00 175.76 176.11 1i1d s THR 78 N -3.06 0.09 0.06 0.00 -1.32 0.35 -1.13 115.64 110.63 1i1d s THR 78 Ca -0.02 -0.70 -0.26 0.00 -1.21 0.00 0.00 61.69 59.49 1i1d s THR 78 Cb -0.01 -0.67 0.09 0.00 -1.51 0.00 0.00 72.50 70.40 1i1d s THR 78 CO -0.07 -0.39 0.75 -0.83 -2.21 0.00 0.00 174.62 171.87 1i1d s GLY 79 N -1.64 -0.54 -0.00 6.08 0.00 -0.95 -1.32 107.32 108.95 1i1d s GLY 79 Ca -0.11 0.82 0.01 0.00 0.00 0.00 0.00 44.72 45.44 1i1d s GLY 79 CO 0.00 0.31 -0.03 0.21 0.00 0.00 0.00 173.10 173.59 1i1d s ASN 80 N -2.50 0.34 -0.13 1.64 3.84 -0.53 -0.51 114.94 117.09 1i1d s ASN 80 Ca 0.02 -0.07 0.02 0.00 0.21 0.00 0.00 52.86 53.04 1i1d s ASN 80 Cb -0.01 -0.03 0.01 0.00 -0.55 0.00 0.00 41.25 40.67 1i1d s ASN 80 CO -0.10 0.02 -0.20 -0.51 -2.79 0.00 0.00 177.10 173.53 1i1d s ILE 81 N -0.13 1.88 -0.12 -5.21 2.07 -1.16 -0.42 121.20 118.10 1i1d s ILE 81 Ca 0.00 -0.87 -0.03 0.00 -1.41 0.00 0.00 60.65 58.34 1i1d s ILE 81 Cb -0.01 -1.67 -0.03 0.00 0.13 0.00 0.00 42.46 40.87 1i1d s ILE 81 CO -0.00 0.52 -0.00 -0.63 -1.91 0.00 0.00 174.94 172.91 1i1d s ILE 82 N 0.83 4.23 -0.23 2.00 1.01 -0.05 -2.16 121.20 126.84 1i1d s ILE 82 Ca -0.08 -0.26 -0.09 0.00 0.00 0.00 0.00 60.65 60.22 1i1d s ILE 82 Cb -0.15 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 1i1d s ILE 82 CO -0.01 0.55 0.12 -0.63 0.00 0.00 0.00 174.94 174.96 1i1d s ILE 83 N -0.27 5.04 -0.11 2.92 -1.09 0.58 -0.29 121.20 127.98 1i1d s ILE 83 Ca 0.06 0.07 0.02 0.00 -2.23 0.00 0.00 60.65 58.56 1i1d s ILE 83 Cb -0.12 -3.33 -0.01 0.00 -1.58 0.00 0.00 42.46 37.41 1i1d s ILE 83 CO 0.02 0.37 -0.16 -0.70 -1.23 0.00 0.00 174.94 173.24 1i1d s GLU 84 N 0.96 3.12 -0.07 2.79 2.12 -0.18 -4.80 118.70 122.64 1i1d s GLU 84 Ca 0.06 -0.75 -0.19 0.00 0.36 0.00 0.00 54.97 54.46 1i1d s GLU 84 Cb -0.13 -2.49 -0.05 0.00 0.26 0.00 0.00 34.13 31.72 1i1d s GLU 84 CO 0.03 0.28 0.51 0.50 -0.54 0.00 0.00 175.26 176.05 1i1d s ARG 85 N 0.14 4.29 0.52 4.30 6.06 -1.26 -1.35 118.95 131.65 1i1d s ARG 85 Ca -0.09 0.55 0.02 0.00 -2.50 0.00 0.00 55.73 53.71 1i1d s ARG 85 Cb -0.15 -3.38 0.00 0.00 0.06 0.00 0.00 34.95 31.47 1i1d s ARG 85 CO 0.05 0.28 0.10 0.15 -2.50 0.00 0.00 175.30 173.39 1i1d s LYS 86 N 0.19 2.21 -0.23 5.12 1.02 0.27 -4.99 119.74 123.33 1i1d s LYS 86 Ca 0.28 -2.31 -0.03 0.00 0.02 0.00 0.00 55.97 53.93 1i1d s LYS 86 Cb -0.16 -1.67 -0.18 0.00 -0.52 0.00 0.00 37.83 35.29 1i1d s LYS 86 CO 0.13 -0.43 -0.10 -0.89 -0.92 0.00 0.00 175.35 173.14 1i1d n ILE 87 N -1.40 1.56 -0.68 2.17 5.41 -1.26 -3.58 119.36 121.58 1i1d n ILE 87 Ca -0.15 -0.54 -0.31 0.00 1.00 0.00 0.00 62.75 62.75 1i1d n ILE 87 Cb 0.66 -1.58 0.18 0.00 -0.71 0.00 0.00 39.64 38.19 1i1d n ILE 87 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 1i1d s ILE 88 N -2.52 2.07 -1.27 1.39 -4.36 -1.26 -0.96 121.20 114.28 1i1d s ILE 88 Ca -0.33 0.02 -0.02 0.00 -0.26 0.00 0.00 60.65 60.07 1i1d s ILE 88 Cb 0.09 -2.05 0.01 0.00 1.25 0.00 0.00 42.46 41.76 1i1d s ILE 88 CO 0.62 -0.03 0.92 1.57 0.24 0.00 0.00 174.94 178.27 1i1d n HIS 89 N -4.31 -2.18 -3.75 1.37 -0.00 -1.26 -1.10 115.22 103.99 1i1d n HIS 89 Ca 0.11 0.91 -0.32 0.00 -0.00 0.00 0.00 57.72 58.42 1i1d n HIS 89 Cb 0.52 -4.80 0.04 0.00 -0.00 0.00 0.00 29.99 25.75 1i1d n HIS 89 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1i1d n GLU 90 N -4.30 -1.39 -3.45 1.57 1.02 -1.23 -1.97 120.64 110.88 1i1d n GLU 90 Ca -0.24 0.42 -0.17 0.00 -0.02 0.00 0.00 57.16 57.14 1i1d n GLU 90 Cb 0.65 -4.03 0.08 0.00 -0.02 0.00 0.00 31.44 28.13 1i1d n GLU 90 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1i1d n LEU 91 N -4.29 -4.03 -4.76 -4.62 4.77 -0.13 -4.96 117.00 98.97 1i1d n LEU 91 Ca -0.12 -0.65 -0.29 0.00 -0.03 0.00 0.00 56.01 54.92 1i1d n LEU 91 Cb 0.60 -3.09 0.13 0.00 -2.33 0.00 0.00 43.42 38.73 1i1d n LEU 91 CO 0.69 0.37 0.69 -0.83 -1.33 0.00 0.00 177.39 176.98 1i1d s GLY 92 N -4.31 1.59 -0.14 -0.72 0.00 -0.26 -4.64 107.32 98.84 1i1d s GLY 92 Ca 0.03 -0.35 -0.02 0.00 0.00 0.00 0.00 44.72 44.38 1i1d s GLY 92 CO 0.74 0.18 -0.06 1.08 0.00 0.00 0.00 173.10 175.03 1i1d s LEU 93 N -6.06 3.10 -0.08 0.66 1.43 -1.26 -0.56 118.68 115.91 1i1d s LEU 93 Ca 0.63 -0.17 0.05 0.00 -1.03 0.00 0.00 54.13 53.61 1i1d s LEU 93 Cb -0.16 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 1i1d s LEU 93 CO 0.55 0.18 -0.25 0.00 0.23 0.00 0.00 176.35 177.06 1i1d s GLY 95 N 0.05 2.24 -0.18 0.00 0.00 -0.75 -1.01 107.32 107.67 1i1d s GLY 95 Ca -0.10 -0.60 -0.00 0.00 0.00 0.00 0.00 44.72 44.01 1i1d s GLY 95 CO 0.06 -0.44 -0.06 0.30 0.00 0.00 0.00 173.10 172.96 1i1d s HIS 96 N -1.34 1.89 -0.12 1.90 3.76 0.61 -0.85 115.29 121.15 1i1d s HIS 96 Ca 0.29 -1.26 -0.21 0.00 -0.15 0.00 0.00 55.06 53.73 1i1d s HIS 96 Cb -0.13 -1.39 -0.04 0.00 1.11 0.00 0.00 32.58 32.13 1i1d s HIS 96 CO 0.17 -0.66 0.61 0.42 -0.85 0.00 0.00 174.74 174.43 1i1d s ILE 97 N 1.57 5.09 0.12 0.60 1.01 -0.16 -0.87 121.20 128.55 1i1d s ILE 97 Ca -0.01 1.22 0.05 0.00 0.00 0.00 0.00 60.65 61.92 1i1d s ILE 97 Cb -0.16 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 1i1d s ILE 97 CO -0.08 0.24 -0.13 -1.61 0.00 0.00 0.00 174.94 173.37 1i1d s GLU 98 N 1.02 0.97 -1.14 2.79 0.41 0.44 -4.50 118.70 118.69 1i1d s GLU 98 Ca 0.32 -1.22 -0.24 0.00 -0.41 0.00 0.00 54.97 53.42 1i1d s GLU 98 Cb -0.16 -0.80 0.01 0.00 -1.78 0.00 0.00 34.13 31.39 1i1d s GLU 98 CO 0.14 0.15 0.75 -0.25 -0.49 0.00 0.00 175.26 175.56 1i1d n ASP 99 N 0.54 -5.03 -4.73 -0.19 8.00 -1.26 -1.45 116.55 112.43 1i1d n ASP 99 Ca -0.16 -1.08 -0.39 0.00 0.71 0.00 0.00 54.79 53.87 1i1d n ASP 99 Cb 0.57 -2.82 -0.05 0.00 -0.02 0.00 0.00 41.12 38.80 1i1d n ASP 99 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1i1d s ILE 100 N -3.45 5.05 -0.22 0.53 -1.09 -1.26 -3.97 121.20 116.80 1i1d s ILE 100 Ca 0.45 1.30 -0.18 0.00 -2.23 0.00 0.00 60.65 59.99 1i1d s ILE 100 Cb -0.19 -3.97 0.06 0.00 -1.58 0.00 0.00 42.46 36.78 1i1d s ILE 100 CO 0.89 0.30 0.56 0.00 -1.23 0.00 0.00 174.94 175.46 1i1d s ALA 101 N 0.58 -1.41 -0.15 9.38 0.00 -0.43 -4.83 121.76 124.89 1i1d s ALA 101 Ca 0.34 1.69 -0.01 0.00 0.00 0.00 0.00 51.96 53.98 1i1d s ALA 101 Cb -0.17 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 21.94 1i1d s ALA 101 CO 0.16 -0.28 -0.10 0.08 0.00 0.00 0.00 175.76 175.62 1i1d s VAL 102 N 0.61 3.20 0.30 0.00 1.01 -1.26 -0.50 120.40 123.75 1i1d s VAL 102 Ca -0.02 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.08 1i1d s VAL 102 Cb -0.05 -2.37 -0.14 0.00 0.00 0.00 0.00 36.38 33.82 1i1d s VAL 102 CO -0.04 0.50 1.11 -3.20 0.00 0.00 0.00 175.10 173.48 1i1d n ASN 103 N 3.76 1.76 -0.27 3.32 2.85 0.83 -4.72 115.26 122.79 1i1d n ASN 103 Ca -0.18 1.18 0.14 0.00 -0.11 0.00 0.00 54.58 55.61 1i1d n ASN 103 Cb 0.52 -1.34 0.41 0.00 1.24 0.00 0.00 39.78 40.60 1i1d n ASN 103 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1i1d h SER 104 N 2.31 0.60 1.03 1.20 4.64 -1.89 0.02 113.55 121.47 1i1d h SER 104 Ca -0.42 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1i1d h SER 104 Cb 1.32 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1i1d h SER 104 CO 0.62 0.28 0.00 0.11 -0.87 0.00 0.00 176.83 176.97 1i1d h LYS 105 N 0.63 0.00 -0.19 4.77 1.57 -1.96 -3.09 116.57 118.30 1i1d h LYS 105 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 1i1d h LYS 105 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1i1d h LYS 105 CO -0.22 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.32 1i1d n TYR 106 N -2.74 0.23 -1.53 -1.35 4.02 -0.02 -5.03 117.16 110.74 1i1d n TYR 106 Ca 0.02 -0.16 -0.32 0.00 -0.01 0.00 0.00 57.90 57.42 1i1d n TYR 106 Cb 0.31 -0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.69 1i1d n TYR 106 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1i1d s GLN 107 N -1.29 2.50 -0.93 -0.72 -0.21 -1.10 -3.92 119.66 114.00 1i1d s GLN 107 Ca 0.25 1.36 0.00 0.00 0.02 0.00 0.00 55.36 56.99 1i1d s GLN 107 Cb 0.16 -1.92 0.00 0.00 1.00 0.00 0.00 33.01 32.25 1i1d s GLN 107 CO 0.22 -1.48 0.00 0.41 -2.12 0.00 0.00 175.29 172.33 1i1d n GLY 108 N -0.63 0.92 0.04 3.09 0.00 -1.26 -4.90 105.19 102.46 1i1d n GLY 108 Ca 0.10 -0.61 0.04 0.00 0.00 0.00 0.00 46.02 45.55 1i1d n GLY 108 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i1d n GLN 109 N -2.62 2.07 -0.53 1.61 6.02 -1.25 -4.99 117.38 117.68 1i1d n GLN 109 Ca -0.09 -1.93 0.00 0.00 -0.01 0.00 0.00 57.00 54.96 1i1d n GLN 109 Cb 0.33 -1.19 0.00 0.00 1.02 0.00 0.00 30.24 30.40 1i1d n GLN 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1i1d n GLY 110 N -0.89 0.96 0.22 1.08 0.00 -1.26 -4.94 105.19 100.37 1i1d n GLY 110 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 1i1d n GLY 110 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1i1d h LEU 111 N 0.00 0.57 -0.23 0.99 3.38 -1.94 -2.30 115.31 115.78 1i1d h LEU 111 Ca 0.00 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1i1d h LEU 111 Cb 0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1i1d h LEU 111 CO 0.00 0.92 0.14 1.23 0.09 0.00 0.00 178.44 180.82 1i1d h GLY 112 N 1.07 0.34 1.02 0.83 0.00 -1.92 -0.09 103.07 104.32 1i1d h GLY 112 Ca 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1i1d h GLY 112 CO 0.08 0.14 0.42 1.70 0.00 0.00 0.00 176.54 178.87 1i1d h LYS 113 N 0.29 1.16 -0.73 4.80 3.64 -1.94 -0.34 116.57 123.44 1i1d h LYS 113 Ca 0.08 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1i1d h LYS 113 Cb 0.02 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 31.58 1i1d h LYS 113 CO -0.02 0.87 0.45 -0.07 -2.27 0.00 0.00 179.45 178.42 1i1d h LEU 114 N 1.14 0.87 0.03 5.20 3.38 -1.14 0.14 115.31 124.94 1i1d h LEU 114 Ca 0.28 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1i1d h LEU 114 Cb 0.08 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1i1d h LEU 114 CO -0.04 0.67 -0.01 0.25 0.09 0.00 0.00 178.44 179.40 1i1d h LEU 115 N 1.00 -0.03 -0.57 1.67 5.85 -0.58 -1.13 115.31 121.51 1i1d h LEU 115 Ca 0.26 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1i1d h LEU 115 Cb -0.05 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1i1d h LEU 115 CO -0.05 0.16 0.34 0.40 -0.34 0.00 0.00 178.44 178.95 1i1d h ILE 116 N -0.23 1.17 -0.89 4.05 1.08 -0.85 -0.83 117.51 121.01 1i1d h ILE 116 Ca -0.00 -0.38 0.09 0.00 -0.39 0.00 0.00 64.86 64.17 1i1d h ILE 116 Cb 0.21 0.39 -0.07 0.00 -3.07 0.00 0.00 36.82 34.28 1i1d h ILE 116 CO 0.01 0.18 0.54 0.44 -0.69 0.00 0.00 178.15 178.63 1i1d h ASP 117 N 0.77 0.82 -0.45 1.72 3.32 -0.55 0.01 116.42 122.06 1i1d h ASP 117 Ca 0.21 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.18 1i1d h ASP 117 Cb -0.01 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1i1d h ASP 117 CO -0.04 0.48 -0.14 1.56 -1.72 0.00 0.00 179.24 179.38 1i1d h GLN 118 N 0.93 0.89 -0.62 3.56 1.08 -0.50 -1.51 115.11 118.93 1i1d h GLN 118 Ca 0.41 -0.36 -0.08 0.00 -1.45 0.00 0.00 58.65 57.18 1i1d h GLN 118 Cb 0.31 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.67 1i1d h GLN 118 CO -0.22 1.01 0.09 -0.07 -0.95 0.00 0.00 178.83 178.68 1i1d h LEU 119 N 0.73 0.98 -0.52 1.46 3.38 -0.54 -1.61 115.31 119.19 1i1d h LEU 119 Ca 0.11 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1i1d h LEU 119 Cb 0.70 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1i1d h LEU 119 CO 0.05 0.99 0.19 0.58 0.09 0.00 0.00 178.44 180.34 1i1d h VAL 120 N 0.96 1.22 -0.71 1.22 2.07 -0.92 -1.30 116.25 118.80 1i1d h VAL 120 Ca 0.19 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 1i1d h VAL 120 Cb 0.44 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1i1d h VAL 120 CO 0.01 0.27 0.37 0.74 0.02 0.00 0.00 177.57 178.98 1i1d h THR 121 N 0.71 1.23 -0.58 2.57 2.02 -0.92 -1.25 112.91 116.69 1i1d h THR 121 Ca 0.17 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1i1d h THR 121 Cb 0.23 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 1i1d h THR 121 CO -0.01 0.26 0.36 0.40 0.37 0.00 0.00 175.52 176.90 1i1d h ILE 122 N 0.98 1.16 -0.13 3.11 2.04 -1.01 -0.17 117.51 123.50 1i1d h ILE 122 Ca 0.25 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1i1d h ILE 122 Cb 0.07 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1i1d h ILE 122 CO -0.04 0.16 0.02 1.23 0.00 0.00 0.00 178.15 179.53 1i1d h GLY 123 N 0.78 0.23 1.84 5.37 0.00 -0.71 -1.99 103.07 108.58 1i1d h GLY 123 Ca 0.21 -0.15 -0.09 0.00 0.00 0.00 0.00 47.33 47.30 1i1d h GLY 123 CO -0.04 0.14 -0.37 0.74 0.00 0.00 0.00 176.54 177.01 1i1d h PHE 124 N -0.00 0.21 -0.12 5.60 0.04 -1.17 -1.94 116.94 119.55 1i1d h PHE 124 Ca 0.04 -0.05 -0.07 0.00 2.80 0.00 0.00 57.97 60.69 1i1d h PHE 124 Cb 0.28 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 1i1d h PHE 124 CO 0.01 0.53 -0.23 -0.44 -0.60 0.00 0.00 178.31 177.58 1i1d h ASP 125 N 0.16 0.20 0.82 2.17 3.32 -0.90 -0.93 116.42 121.26 1i1d h ASP 125 Ca 0.02 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1i1d h ASP 125 Cb 0.72 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1i1d h ASP 125 CO 0.05 0.44 0.00 -1.22 -1.72 0.00 0.00 179.24 176.79 1i1d n TYR 126 N -4.19 0.10 0.00 4.55 4.01 -0.76 -4.89 117.16 115.97 1i1d n TYR 126 Ca -0.01 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1i1d n TYR 126 Cb 0.34 -0.55 0.00 0.00 -0.31 0.00 0.00 39.34 38.81 1i1d n TYR 126 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i1d n GLY 127 N 0.81 1.11 3.77 2.72 0.00 -0.35 -5.05 105.19 108.20 1i1d n GLY 127 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1i1d n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1d h TYR 129 N 3.38 0.00 -3.15 0.00 -0.00 -1.45 -3.43 116.97 112.32 1i1d h TYR 129 Ca -0.50 0.00 0.01 0.00 0.00 0.00 0.00 58.73 58.24 1i1d h TYR 129 Cb 1.23 0.00 -0.09 0.00 0.00 0.00 0.00 36.73 37.88 1i1d h TYR 129 CO 0.55 0.00 0.13 -1.59 -0.00 0.00 0.00 178.16 177.25 1i1d s LYS 130 N -3.28 1.50 -0.04 0.10 -2.85 -1.26 -5.10 119.74 108.82 1i1d s LYS 130 Ca 0.03 -0.84 0.01 0.00 -1.00 0.00 0.00 55.97 54.18 1i1d s LYS 130 Cb 0.08 0.56 0.02 0.00 -2.06 0.00 0.00 37.83 36.43 1i1d s LYS 130 CO 0.73 -0.66 -0.04 0.42 0.10 0.00 0.00 175.35 175.90 1i1d s ILE 131 N -3.87 0.48 0.31 3.79 1.01 -1.26 -1.81 121.20 119.85 1i1d s ILE 131 Ca 0.09 -0.11 0.06 0.00 0.00 0.00 0.00 60.65 60.68 1i1d s ILE 131 Cb -0.03 -0.50 -0.06 0.00 0.01 0.00 0.00 42.46 41.88 1i1d s ILE 131 CO -0.01 0.20 -0.01 0.27 0.00 0.00 0.00 174.94 175.39 1i1d s ILE 132 N 0.77 1.51 0.14 2.92 -4.36 -0.03 -4.95 121.20 117.21 1i1d s ILE 132 Ca -0.10 -2.06 -0.24 0.00 -0.26 0.00 0.00 60.65 57.99 1i1d s ILE 132 Cb -0.13 -2.63 0.07 0.00 1.25 0.00 0.00 42.46 41.02 1i1d s ILE 132 CO -0.00 -0.16 0.68 -1.48 0.24 0.00 0.00 174.94 174.22 1i1d s LEU 133 N -3.48 -0.48 0.02 0.37 0.05 -1.26 -0.99 118.68 112.90 1i1d s LEU 133 Ca 0.32 -0.09 0.06 0.00 0.05 0.00 0.00 54.13 54.47 1i1d s LEU 133 Cb 0.06 2.49 -0.03 0.00 -2.05 0.00 0.00 46.19 46.66 1i1d s LEU 133 CO 0.14 -0.95 -0.15 -1.81 -0.55 0.00 0.00 176.35 173.03 1i1d s ASP 134 N -2.73 4.04 0.08 1.48 1.01 -1.26 -5.03 116.67 114.26 1i1d s ASP 134 Ca 0.03 -0.32 -0.08 0.00 0.71 0.00 0.00 52.55 52.89 1i1d s ASP 134 Cb -0.02 -0.76 -0.01 0.00 1.01 0.00 0.00 42.92 43.15 1i1d s ASP 134 CO -0.09 0.27 0.16 0.00 0.21 0.00 0.00 175.17 175.72 1i1d s ASP 136 N -2.76 5.58 0.38 0.00 1.01 -1.26 -4.92 116.67 114.70 1i1d s ASP 136 Ca 0.04 1.88 0.14 0.00 0.71 0.00 0.00 52.55 55.32 1i1d s ASP 136 Cb 0.04 -2.54 0.97 0.00 1.01 0.00 0.00 42.92 42.40 1i1d s ASP 136 CO -0.10 -1.31 1.81 -0.08 0.21 0.00 0.00 175.17 175.71 1i1d h GLU 137 N 0.34 0.51 -0.22 8.23 4.57 -2.02 -0.08 114.58 125.92 1i1d h GLU 137 Ca -0.47 -0.03 0.07 0.00 -1.18 0.00 0.00 59.36 57.74 1i1d h GLU 137 Cb 1.23 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.69 1i1d h GLU 137 CO 0.56 0.34 0.20 1.57 -1.18 0.00 0.00 179.01 180.50 1i1d h LYS 138 N 0.53 0.00 -0.05 1.92 2.10 -2.06 -2.40 116.57 116.60 1i1d h LYS 138 Ca 0.53 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.18 1i1d h LYS 138 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 1i1d h LYS 138 CO -0.26 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.28 1i1d n ASN 139 N -4.08 2.85 -0.21 7.07 3.02 -0.05 -4.61 115.26 119.26 1i1d n ASN 139 Ca 0.02 -1.91 0.02 0.00 -0.03 0.00 0.00 54.58 52.68 1i1d n ASN 139 Cb 0.34 -0.02 0.12 0.00 -0.61 0.00 0.00 39.78 39.61 1i1d n ASN 139 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1i1d h VAL 140 N 4.25 0.58 -0.07 2.41 2.07 -1.39 -1.99 116.25 122.11 1i1d h VAL 140 Ca 0.00 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 1i1d h VAL 140 Cb 0.91 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1i1d h VAL 140 CO 0.00 0.04 -0.22 0.11 0.02 0.00 0.00 177.57 177.53 1i1d h LYS 141 N 0.23 0.12 0.07 1.57 1.57 -1.81 0.68 116.57 119.00 1i1d h LYS 141 Ca 0.34 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1i1d h LYS 141 Cb 0.53 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1i1d h LYS 141 CO -0.45 0.33 -0.03 0.35 -0.57 0.00 0.00 179.45 179.08 1i1d h PHE 142 N 0.11 -0.09 -0.22 -1.35 3.57 -1.70 -1.52 116.94 115.75 1i1d h PHE 142 Ca 0.02 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1i1d h PHE 142 Cb 0.45 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1i1d h PHE 142 CO 0.00 0.16 -0.09 1.88 -2.23 0.00 0.00 178.31 178.03 1i1d h TYR 143 N -0.32 0.36 -0.94 0.41 -1.99 -0.71 -1.33 116.97 112.44 1i1d h TYR 143 Ca -0.01 -0.04 -0.00 0.00 2.00 0.00 0.00 58.73 60.68 1i1d h TYR 143 Cb 0.28 -0.10 -0.05 0.00 2.00 0.00 0.00 36.73 38.86 1i1d h TYR 143 CO 0.00 0.44 0.59 0.93 -0.00 0.00 0.00 178.16 180.12 1i1d h GLU 144 N 0.33 1.27 0.00 4.88 5.08 -0.76 -0.72 114.58 124.67 1i1d h GLU 144 Ca 0.07 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1i1d h GLU 144 Cb 0.37 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1i1d h GLU 144 CO 0.02 0.87 -0.01 0.87 -1.00 0.00 0.00 179.01 179.75 1i1d h LYS 145 N 1.30 0.00 -0.24 2.33 1.79 -0.19 -0.83 116.57 120.73 1i1d h LYS 145 Ca 0.34 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 1i1d h LYS 145 Cb -0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.56 1i1d h LYS 145 CO -0.07 0.01 0.00 0.00 -1.08 0.00 0.00 179.45 178.32 1i1d n GLY 147 N 1.10 0.71 3.92 0.00 0.00 -0.32 -4.93 105.19 105.67 1i1d n GLY 147 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1i1d n GLY 147 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i1d s PHE 148 N -2.40 3.54 0.12 1.61 0.40 -0.39 -4.99 117.98 115.87 1i1d s PHE 148 Ca 0.00 0.66 0.04 0.00 -0.60 0.00 0.00 56.93 57.04 1i1d s PHE 148 Cb 0.00 -2.17 -0.04 0.00 0.51 0.00 0.00 43.02 41.32 1i1d s PHE 148 CO 0.00 -0.14 -0.11 -1.54 0.70 0.00 0.00 175.22 174.13 1i1d s SER 149 N -4.06 1.70 0.21 1.36 1.04 -1.26 -4.05 113.70 108.64 1i1d s SER 149 Ca 0.45 -0.90 -0.32 0.00 0.48 0.00 0.00 55.95 55.66 1i1d s SER 149 Cb -0.10 -0.01 -0.12 0.00 0.10 0.00 0.00 66.02 65.89 1i1d s SER 149 CO 0.42 -0.27 1.73 -3.20 0.98 0.00 0.00 173.24 172.89 1i1d n ASN 150 N 0.23 4.02 0.00 7.02 2.85 -1.26 -4.87 115.26 123.24 1i1d n ASN 150 Ca -0.13 1.06 0.00 0.00 -0.11 0.00 0.00 54.58 55.40 1i1d n ASN 150 Cb 0.59 -1.58 0.00 0.00 1.24 0.00 0.00 39.78 40.03 1i1d n ASN 150 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1i1d n ALA 151 N 3.94 1.32 0.00 5.20 0.00 -1.26 -5.13 120.51 124.58 1i1d n ALA 151 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1i1d n ALA 151 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1i1d n ALA 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i1d n GLY 152 N 0.31 -1.63 3.45 0.00 0.00 -1.26 -5.12 105.19 100.93 1i1d n GLY 152 Ca 0.00 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 1i1d n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i1d s VAL 153 N -2.77 3.19 -0.14 1.61 1.01 -1.26 -5.09 120.40 116.95 1i1d s VAL 153 Ca 0.00 -0.64 -0.24 0.00 0.00 0.00 0.00 61.98 61.10 1i1d s VAL 153 Cb 0.00 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 1i1d s VAL 153 CO 0.00 0.56 0.75 -0.70 0.00 0.00 0.00 175.10 175.70 1i1d s GLU 154 N -0.21 4.33 0.11 2.72 2.12 -1.26 -5.06 118.70 121.44 1i1d s GLU 154 Ca 0.01 0.89 0.08 0.00 0.36 0.00 0.00 54.97 56.30 1i1d s GLU 154 Cb -0.13 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.69 1i1d s GLU 154 CO 0.03 -0.18 -0.12 -1.64 -0.54 0.00 0.00 175.26 172.82 1i1d s MET 155 N 1.64 2.05 0.03 4.30 -1.94 -1.26 -5.14 119.30 118.97 1i1d s MET 155 Ca 0.36 -1.06 -0.06 0.00 -1.71 0.00 0.00 55.69 53.22 1i1d s MET 155 Cb -0.17 -2.26 -0.01 0.00 2.01 0.00 0.00 34.83 34.40 1i1d s MET 155 CO 0.14 0.50 0.10 1.14 -0.01 0.00 0.00 175.02 176.89 1i1d s GLN 156 N -2.20 0.53 -0.03 2.03 -2.07 -1.26 -5.14 119.66 111.52 1i1d s GLN 156 Ca 0.21 -0.63 0.02 0.00 -1.82 0.00 0.00 55.36 53.13 1i1d s GLN 156 Cb -0.11 0.21 0.01 0.00 -1.09 0.00 0.00 33.01 32.03 1i1d s GLN 156 CO 0.13 -0.13 -0.06 -1.50 -1.32 0.00 0.00 175.29 172.41 1i1d s ILE 157 N -2.12 0.59 0.06 3.63 2.07 -1.26 -5.15 121.20 119.02 1i1d s ILE 157 Ca -0.09 -0.22 0.03 0.00 -1.41 0.00 0.00 60.65 58.96 1i1d s ILE 157 Cb -0.04 -0.56 -0.04 0.00 0.13 0.00 0.00 42.46 41.95 1i1d s ILE 157 CO -0.02 0.21 0.05 -0.13 -1.91 0.00 0.00 174.94 173.13 1i1d s ARG 158 N 0.45 2.80 0.00 3.50 1.81 -1.26 -5.38 118.95 120.87 1i1d s ARG 158 Ca -0.06 -0.70 0.01 0.00 -1.72 0.00 0.00 55.73 53.26 1i1d s ARG 158 Cb -0.10 -2.68 0.08 0.00 -0.45 0.00 0.00 34.95 31.80 1i1d s ARG 158 CO 0.00 0.58 0.57 1.17 -0.68 0.00 0.00 175.30 176.94