#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1d s SER 2 N 0.00 6.08 0.67 7.83 1.04 -1.26 -5.01 113.70 123.05 1i1d s SER 2 Ca 0.00 0.16 -0.12 0.00 0.48 0.00 0.00 55.95 56.46 1i1d s SER 2 Cb 0.00 -1.79 -0.00 0.00 0.10 0.00 0.00 66.02 64.33 1i1d s SER 2 CO 0.00 0.15 1.06 -0.76 0.98 0.00 0.00 173.24 174.67 1i1d s LEU 3 N -2.59 3.24 0.62 2.42 1.43 -1.26 -5.00 118.68 117.54 1i1d s LEU 3 Ca 0.33 1.71 -0.18 0.00 -1.03 0.00 0.00 54.13 54.95 1i1d s LEU 3 Cb -0.12 -4.51 -0.02 0.00 0.03 0.00 0.00 46.19 41.56 1i1d s LEU 3 CO 0.26 -1.41 1.21 -2.84 0.23 0.00 0.00 176.35 173.80 1i1d s PRO 4 N -4.71 2.84 0.20 1.29 0.02 -1.26 -4.90 135.00 128.48 1i1d s PRO 4 Ca 0.60 1.82 -0.32 0.00 0.02 0.00 0.00 61.00 63.12 1i1d s PRO 4 Cb -0.15 -1.91 -0.14 0.00 0.02 0.00 0.00 34.50 32.32 1i1d s PRO 4 CO 0.49 -1.31 1.37 -0.25 -0.33 0.00 0.00 177.00 176.97 1i1d n ASP 5 N -1.78 2.37 0.00 2.53 8.00 -1.26 -1.87 116.55 124.54 1i1d n ASP 5 Ca 0.14 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.77 1i1d n ASP 5 Cb 0.50 -1.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.24 1i1d n ASP 5 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i1d n GLY 6 N 2.33 1.83 3.41 0.44 0.00 -1.26 -5.06 105.19 106.88 1i1d n GLY 6 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.46 2.56 0.12 1.61 0.40 -0.78 -1.15 117.98 118.28 1i1d s PHE 7 Ca 0.00 -0.29 0.01 0.00 -0.60 0.00 0.00 56.93 56.05 1i1d s PHE 7 Cb 0.00 -1.58 -0.04 0.00 0.51 0.00 0.00 43.02 41.90 1i1d s PHE 7 CO 0.00 0.08 -0.01 1.52 0.70 0.00 0.00 175.22 177.51 1i1d s TYR 8 N -0.65 0.91 0.04 0.36 -0.85 -0.78 -4.66 117.35 111.72 1i1d s TYR 8 Ca 0.10 -1.04 0.09 0.00 -0.52 0.00 0.00 57.07 55.70 1i1d s TYR 8 Cb -0.11 -0.54 -0.03 0.00 0.38 0.00 0.00 41.96 41.67 1i1d s TYR 8 CO 0.00 -0.29 -0.25 -1.50 -1.52 0.00 0.00 175.55 172.00 1i1d s ILE 9 N -3.77 2.01 0.21 -3.49 2.07 -1.26 -0.63 121.20 116.34 1i1d s ILE 9 Ca 0.17 -1.31 -0.16 0.00 -1.41 0.00 0.00 60.65 57.94 1i1d s ILE 9 Cb 0.06 -1.72 0.02 0.00 0.13 0.00 0.00 42.46 40.95 1i1d s ILE 9 CO -0.02 0.35 0.52 0.00 -1.91 0.00 0.00 174.94 173.88 1i1d s ARG 10 N -1.15 1.45 0.36 3.50 1.70 -0.70 -4.99 118.95 119.11 1i1d s ARG 10 Ca 0.11 -0.98 -0.28 0.00 -0.47 0.00 0.00 55.73 54.11 1i1d s ARG 10 Cb -0.10 0.51 -0.10 0.00 -0.57 0.00 0.00 34.95 34.69 1i1d s ARG 10 CO 0.02 -0.61 1.34 0.50 -1.08 0.00 0.00 175.30 175.46 1i1d s ARG 11 N -3.91 4.22 0.44 3.89 3.52 -1.26 -0.60 118.95 125.25 1i1d s ARG 11 Ca 0.13 2.26 -0.25 0.00 -0.13 0.00 0.00 55.73 57.74 1i1d s ARG 11 Cb -0.01 -2.98 -0.08 0.00 -1.56 0.00 0.00 34.95 30.32 1i1d s ARG 11 CO 0.01 -0.32 1.36 1.41 -0.81 0.00 0.00 175.30 176.95 1i1d s MET 12 N -1.95 3.77 0.29 5.12 -2.45 0.43 -4.76 119.30 119.75 1i1d s MET 12 Ca 0.51 2.26 0.09 0.00 -1.25 0.00 0.00 55.69 57.31 1i1d s MET 12 Cb -0.41 -2.66 -0.06 0.00 1.25 0.00 0.00 34.83 32.96 1i1d s MET 12 CO 0.54 -0.69 -0.12 -1.21 1.05 0.00 0.00 175.02 174.58 1i1d s GLU 13 N -2.40 1.63 0.29 4.11 2.02 -1.26 -5.00 118.70 118.08 1i1d s GLU 13 Ca 0.60 -1.80 0.02 0.00 0.02 0.00 0.00 54.97 53.82 1i1d s GLU 13 Cb -0.40 -1.48 0.60 0.00 0.10 0.00 0.00 34.13 32.95 1i1d s GLU 13 CO 0.52 0.17 1.81 1.49 0.02 0.00 0.00 175.26 179.27 1i1d h GLU 14 N 2.24 0.88 0.00 1.61 4.81 -1.95 -0.73 114.58 121.44 1i1d h GLU 14 Ca -0.40 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1i1d h GLU 14 Cb 1.24 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1i1d h GLU 14 CO 0.65 0.58 0.00 0.41 -0.73 0.00 0.00 179.01 179.92 1i1d n GLY 15 N -1.34 -0.59 0.24 1.92 0.00 -1.26 -2.87 105.19 101.29 1i1d n GLY 15 Ca 0.20 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.25 0.75 -0.15 1.61 8.00 -0.28 -4.46 116.55 120.76 1i1d n ASP 16 Ca 0.05 -1.42 -0.06 0.00 0.71 0.00 0.00 54.79 54.07 1i1d n ASP 16 Cb 0.08 -0.03 -0.00 0.00 -0.02 0.00 0.00 41.12 41.14 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 1.07 -1.08 -0.45 0.64 5.85 -1.72 0.26 115.31 119.88 1i1d h LEU 17 Ca 0.00 0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1i1d h LEU 17 Cb 0.23 0.53 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 1i1d h LEU 17 CO 0.00 -0.31 0.15 -0.08 -0.34 0.00 0.00 178.44 177.86 1i1d h GLU 18 N -0.20 0.70 -0.30 1.25 4.22 -1.90 -1.79 114.58 116.55 1i1d h GLU 18 Ca 0.20 -0.14 -0.16 0.00 0.08 0.00 0.00 59.36 59.34 1i1d h GLU 18 Cb 0.54 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1i1d h GLU 18 CO -0.60 0.66 -0.44 1.96 -2.18 0.00 0.00 179.01 178.41 1i1d h GLN 19 N 0.59 0.78 -0.50 1.92 4.20 -1.77 -2.10 115.11 118.24 1i1d h GLN 19 Ca 0.15 -0.43 -0.10 0.00 0.06 0.00 0.00 58.65 58.33 1i1d h GLN 19 Cb 0.25 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1i1d h GLN 19 CO -0.01 1.06 -0.06 0.28 -0.67 0.00 0.00 178.83 179.43 1i1d h VAL 20 N 0.62 1.27 -0.53 -0.54 2.07 -0.92 -0.57 116.25 117.65 1i1d h VAL 20 Ca 0.04 -1.18 -0.10 0.00 0.82 0.00 0.00 66.70 66.28 1i1d h VAL 20 Cb 1.01 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1i1d h VAL 20 CO 0.10 0.41 -0.07 0.71 0.02 0.00 0.00 177.57 178.73 1i1d h THR 21 N 0.78 1.26 -0.80 2.57 1.35 -1.31 0.71 112.91 117.47 1i1d h THR 21 Ca 0.13 -1.21 -0.03 0.00 -0.55 0.00 0.00 66.41 64.75 1i1d h THR 21 Cb 0.60 0.93 -0.04 0.00 -1.73 0.00 0.00 68.15 67.91 1i1d h THR 21 CO 0.04 0.43 0.37 -0.33 -0.25 0.00 0.00 175.52 175.78 1i1d h GLU 22 N 0.88 1.16 -0.17 4.72 4.39 -1.21 -1.94 114.58 122.40 1i1d h GLU 22 Ca 0.15 -0.18 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 1i1d h GLU 22 Cb 0.62 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1i1d h GLU 22 CO 0.04 0.90 -0.24 1.15 -1.16 0.00 0.00 179.01 179.70 1i1d h THR 23 N 1.15 1.35 0.00 1.13 2.02 -0.41 -3.12 112.91 115.02 1i1d h THR 23 Ca 0.28 -1.45 -0.04 0.00 0.77 0.00 0.00 66.41 65.96 1i1d h THR 23 Cb 0.13 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 1i1d h THR 23 CO -0.03 0.44 -0.19 -0.07 0.37 0.00 0.00 175.52 176.04 1i1d h LEU 24 N 0.11 0.00 -2.69 2.58 3.38 -0.78 -2.54 115.31 115.36 1i1d h LEU 24 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1i1d h LEU 24 Cb 0.81 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1i1d h LEU 24 CO 0.06 0.19 -0.01 0.11 0.09 0.00 0.00 178.44 178.87 1i1d h LYS 25 N 0.00 0.00 0.00 1.13 1.57 -1.28 0.17 116.57 118.15 1i1d h LYS 25 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1i1d h LYS 25 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1i1d h LYS 25 CO 0.02 0.01 -0.01 0.28 -0.57 0.00 0.00 179.45 179.18 1i1d n VAL 26 N -3.22 0.08 -0.12 0.50 0.31 -0.96 -3.68 118.33 111.25 1i1d n VAL 26 Ca -0.03 -0.04 -0.26 0.00 -0.01 0.00 0.00 64.34 64.00 1i1d n VAL 26 Cb 0.11 -0.50 -0.11 0.00 -0.91 0.00 0.00 33.84 32.43 1i1d n VAL 26 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1i1d n LEU 27 N -1.61 2.02 0.00 7.52 7.94 0.52 -5.09 117.00 128.30 1i1d n LEU 27 Ca 0.07 0.33 0.00 0.00 -1.11 0.00 0.00 56.01 55.30 1i1d n LEU 27 Cb 0.35 -0.89 0.00 0.00 0.53 0.00 0.00 43.42 43.41 1i1d n LEU 27 CO 0.28 0.51 0.00 1.07 -1.11 0.00 0.00 177.39 178.14 1i1d n THR 28 N -4.21 0.00 -2.17 1.96 5.66 -0.82 -5.14 114.28 109.56 1i1d n THR 28 Ca -0.45 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.13 1i1d n THR 28 Cb 0.83 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.58 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 -2.76 3.20 -0.04 1.09 2.01 -1.26 -4.22 115.64 113.66 1i1d s THR 29 Ca 0.00 0.92 -0.03 0.00 0.31 0.00 0.00 61.69 62.89 1i1d s THR 29 Cb 0.00 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.90 1i1d s THR 29 CO 0.00 0.10 -0.08 0.52 -0.69 0.00 0.00 174.62 174.48 1i1d n VAL 30 N 3.30 0.52 -4.03 3.82 0.31 -1.26 -5.00 118.33 115.99 1i1d n VAL 30 Ca 0.09 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1i1d n VAL 30 Cb 0.42 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 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 2.72 -1.16 3.64 2.92 0.00 -1.26 -4.83 105.19 107.21 1i1d n GLY 31 Ca -0.10 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 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 4.92 -0.07 2.61 2.01 -1.26 -5.04 115.64 118.81 1i1d s THR 32 Ca 0.00 1.35 -0.01 0.00 0.31 0.00 0.00 61.69 63.34 1i1d s THR 32 Cb 0.00 -4.02 0.03 0.00 0.01 0.00 0.00 72.50 68.51 1i1d s THR 32 CO 0.00 0.00 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.28 1i1d s ILE 33 N 2.52 0.52 0.50 1.82 1.01 -1.26 -5.14 121.20 121.17 1i1d s ILE 33 Ca 0.31 -0.00 -0.08 0.00 0.00 0.00 0.00 60.65 60.88 1i1d s ILE 33 Cb -0.16 -0.62 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 1i1d s ILE 33 CO 0.09 0.27 0.85 0.42 0.00 0.00 0.00 174.94 176.56 1i1d s THR 34 N 1.68 4.83 0.33 2.92 -4.23 -1.26 -4.93 115.64 114.97 1i1d s THR 34 Ca 0.01 0.46 0.01 0.00 -1.18 0.00 0.00 61.69 61.00 1i1d s THR 34 Cb -0.13 -3.84 0.23 0.00 1.34 0.00 0.00 72.50 70.10 1i1d s THR 34 CO -0.04 -0.87 1.96 -0.65 -0.54 0.00 0.00 174.62 174.48 1i1d h PRO 35 N 0.28 0.85 -0.07 3.99 0.11 -2.00 -1.27 132.00 133.88 1i1d h PRO 35 Ca -0.46 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 65.56 1i1d h PRO 35 Cb 1.20 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1i1d h PRO 35 CO 0.62 0.62 0.04 0.93 -0.21 0.00 0.00 178.00 180.00 1i1d h GLU 36 N 0.86 0.10 -0.54 1.05 3.07 -2.00 0.64 114.58 117.77 1i1d h GLU 36 Ca 0.22 -0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 58.96 1i1d h GLU 36 Cb 0.01 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 1i1d h GLU 36 CO -0.04 0.11 -0.09 0.77 -1.40 0.00 0.00 179.01 178.36 1i1d h SER 37 N 0.06 1.02 -0.71 1.42 0.02 -1.88 -2.68 113.55 110.79 1i1d h SER 37 Ca 0.03 -0.35 -0.03 0.00 -0.84 0.00 0.00 61.79 60.60 1i1d h SER 37 Cb 0.04 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 1i1d h SER 37 CO -0.00 1.12 0.34 0.15 -1.14 0.00 0.00 176.83 177.30 1i1d h PHE 38 N 0.89 1.05 -0.77 3.45 3.57 -0.98 -0.06 116.94 124.08 1i1d h PHE 38 Ca 0.14 -0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.68 1i1d h PHE 38 Cb 0.66 -0.33 -0.07 0.00 2.79 0.00 0.00 35.95 39.00 1i1d h PHE 38 CO 0.05 0.77 0.43 0.00 -2.23 0.00 0.00 178.31 177.32 1i1d h LYS 40 N 0.73 0.90 -0.11 0.00 1.57 -0.89 -2.17 116.57 116.60 1i1d h LYS 40 Ca 0.37 -0.34 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1i1d h LYS 40 Cb 0.33 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1i1d h LYS 40 CO -0.24 0.99 0.06 1.25 -0.57 0.00 0.00 179.45 180.94 1i1d h LEU 41 N 0.74 0.14 -1.28 2.94 5.85 -0.25 -1.54 115.31 121.91 1i1d h LEU 41 Ca 0.12 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.78 1i1d h LEU 41 Cb 0.66 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 1i1d h LEU 41 CO 0.05 0.21 0.51 0.40 -0.34 0.00 0.00 178.44 179.27 1i1d h ILE 42 N 0.07 1.09 -0.44 4.05 1.08 -0.82 -0.42 117.51 122.12 1i1d h ILE 42 Ca 0.04 -0.31 -0.07 0.00 -0.39 0.00 0.00 64.86 64.13 1i1d h ILE 42 Cb 0.10 0.09 -0.02 0.00 -3.07 0.00 0.00 36.82 33.93 1i1d h ILE 42 CO -0.01 0.17 0.01 0.11 -0.69 0.00 0.00 178.15 177.74 1i1d h LYS 43 N 0.92 0.77 0.37 2.37 1.79 -1.08 0.12 116.57 121.82 1i1d h LYS 43 Ca 0.32 -0.24 -0.02 0.00 -2.18 0.00 0.00 60.65 58.54 1i1d h LYS 43 Cb 0.12 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1i1d h LYS 43 CO -0.10 0.83 -0.19 -0.92 -1.08 0.00 0.00 179.45 177.99 1i1d h TYR 44 N 0.61 -0.49 -0.14 -1.35 3.20 -0.54 -0.98 116.97 117.28 1i1d h TYR 44 Ca 0.12 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.03 1i1d h TYR 44 Cb 0.48 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 1i1d h TYR 44 CO 0.04 -0.30 0.10 -1.49 -1.64 0.00 0.00 178.16 174.87 1i1d h TRP 45 N -0.51 0.00 -0.00 -3.82 6.55 -1.00 0.38 115.95 117.55 1i1d h TRP 45 Ca -0.05 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.79 1i1d h TRP 45 Cb 0.40 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.70 1i1d h TRP 45 CO -0.06 0.00 -0.25 0.09 -1.05 0.00 0.00 178.44 177.17 1i1d n ASN 46 N -4.47 0.27 -0.04 -3.49 3.02 0.42 -4.24 115.26 106.73 1i1d n ASN 46 Ca 0.00 0.08 -0.03 0.00 -0.03 0.00 0.00 54.58 54.61 1i1d n ASN 46 Cb 0.23 -0.12 -0.07 0.00 -0.61 0.00 0.00 39.78 39.21 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 -1.47 2.15 -1.77 3.52 1.02 -0.07 -4.98 120.64 119.03 1i1d n GLU 47 Ca 0.07 -0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.77 1i1d n GLU 47 Cb 0.33 -1.23 -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 -2.29 3.67 0.14 0.62 0.00 -0.09 -4.99 121.76 118.82 1i1d s ALA 48 Ca -0.04 1.31 0.09 0.00 0.00 0.00 0.00 51.96 53.31 1i1d s ALA 48 Cb 0.03 -3.78 -0.04 0.00 0.00 0.00 0.00 23.12 19.34 1i1d s ALA 48 CO 0.37 -1.33 -0.21 0.95 0.00 0.00 0.00 175.76 175.54 1i1d s THR 49 N 3.43 1.89 -0.21 0.00 -4.23 -1.26 -1.82 115.64 113.44 1i1d s THR 49 Ca 0.81 -1.78 -0.13 0.00 -1.18 0.00 0.00 61.69 59.42 1i1d s THR 49 Cb -0.42 -1.79 -0.05 0.00 1.34 0.00 0.00 72.50 71.58 1i1d s THR 49 CO 0.36 -0.16 0.25 -0.69 -0.54 0.00 0.00 174.62 173.85 1i1d s VAL 50 N -1.58 5.31 0.00 2.29 1.01 0.79 -4.77 120.40 123.46 1i1d s VAL 50 Ca 0.13 0.40 -0.38 0.00 0.00 0.00 0.00 61.98 62.12 1i1d s VAL 50 Cb -0.08 -3.59 -0.17 0.00 0.00 0.00 0.00 36.38 32.54 1i1d s VAL 50 CO 0.06 0.34 1.36 1.87 0.00 0.00 0.00 175.10 178.73 1i1d n TRP 51 N 4.14 1.46 -3.71 5.22 -0.00 -1.26 -4.36 117.44 118.92 1i1d n TRP 51 Ca -0.13 0.71 -0.18 0.00 -0.00 0.00 0.00 57.50 57.90 1i1d n TRP 51 Cb 0.52 -2.31 -0.17 0.00 -0.00 0.00 0.00 31.31 29.35 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 0.91 0.69 -0.92 5.87 3.04 -1.26 -5.04 114.94 118.23 1i1d s ASN 52 Ca 0.88 0.10 0.00 0.00 0.04 0.00 0.00 52.86 53.88 1i1d s ASN 52 Cb -1.04 -0.07 0.33 0.00 -1.54 0.00 0.00 41.25 38.93 1i1d s ASN 52 CO 0.52 -0.20 1.66 -0.67 -3.04 0.00 0.00 177.10 175.37 1i1d n ASP 53 N 4.87 6.78 -1.59 -4.21 2.03 -1.26 -5.06 116.55 118.12 1i1d n ASP 53 Ca -0.13 -3.70 -0.01 0.00 0.52 0.00 0.00 54.79 51.47 1i1d n ASP 53 Cb 0.50 -1.03 -0.00 0.00 -0.72 0.00 0.00 41.12 39.86 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 -0.14 -1.75 -2.98 -0.67 4.81 -1.26 -5.26 118.16 110.90 1i1d n LYS 57 Ca 0.44 1.61 -0.41 0.00 -0.87 0.00 0.00 58.31 59.09 1i1d n LYS 57 Cb 0.29 -2.10 -0.05 0.00 0.02 0.00 0.00 35.03 33.20 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 -1.34 4.33 -0.34 1.64 2.20 -1.26 -5.05 119.74 119.92 1i1d s LYS 58 Ca -0.03 0.90 -0.11 0.00 -0.36 0.00 0.00 55.97 56.37 1i1d s LYS 58 Cb 0.00 -3.53 0.01 0.00 -1.51 0.00 0.00 37.83 32.80 1i1d s LYS 58 CO 0.08 -0.17 0.19 0.42 -0.36 0.00 0.00 175.35 175.50 1i1d s ILE 59 N 1.61 4.67 -0.01 5.43 1.01 -1.26 -5.04 121.20 127.60 1i1d s ILE 59 Ca 0.36 -0.59 -0.29 0.00 0.00 0.00 0.00 60.65 60.14 1i1d s ILE 59 Cb -0.17 -3.48 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 1i1d s ILE 59 CO 0.14 -0.07 0.94 -0.04 0.00 0.00 0.00 174.94 175.91 1i1d s MET 60 N 1.60 4.54 0.28 2.79 -1.94 -1.26 -0.15 119.30 125.16 1i1d s MET 60 Ca 0.04 1.33 -0.01 0.00 -1.71 0.00 0.00 55.69 55.34 1i1d s MET 60 Cb -0.18 -3.46 0.41 0.00 2.01 0.00 0.00 34.83 33.61 1i1d s MET 60 CO 0.07 -0.04 1.86 0.37 -0.01 0.00 0.00 175.02 177.26 1i1d h GLN 61 N 6.81 0.88 -6.17 2.03 4.15 -1.66 -3.42 115.11 117.73 1i1d h GLN 61 Ca -0.41 -0.15 -0.69 0.00 0.77 0.00 0.00 58.65 58.18 1i1d h GLN 61 Cb 1.21 -0.15 -0.19 0.00 0.21 0.00 0.00 27.48 28.56 1i1d h GLN 61 CO 0.75 0.74 -0.70 0.71 -1.93 0.00 0.00 178.83 178.40 1i1d s TYR 62 N -5.36 2.91 -0.40 3.99 1.51 -1.26 -0.50 117.35 118.25 1i1d s TYR 62 Ca -0.10 0.01 0.08 0.00 -1.01 0.00 0.00 57.07 56.05 1i1d s TYR 62 Cb 0.16 -1.70 0.26 0.00 -0.11 0.00 0.00 41.96 40.57 1i1d s TYR 62 CO 0.80 0.32 0.58 0.09 -1.11 0.00 0.00 175.55 176.23 1i1d n ASN 63 N 2.18 0.01 -4.67 2.29 4.13 -0.96 -4.92 115.26 113.33 1i1d n ASN 63 Ca -0.18 -2.78 -0.43 0.00 1.68 0.00 0.00 54.58 52.87 1i1d n ASN 63 Cb 0.53 -0.44 -0.02 0.00 -1.54 0.00 0.00 39.78 38.31 1i1d n ASN 63 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1i1d s PRO 64 N -1.19 4.23 0.14 3.52 0.04 -1.26 -3.31 135.00 137.18 1i1d s PRO 64 Ca 0.35 1.82 0.10 0.00 0.04 0.00 0.00 61.00 63.31 1i1d s PRO 64 Cb 0.20 -3.78 -0.04 0.00 0.04 0.00 0.00 34.50 30.92 1i1d s PRO 64 CO -0.12 -0.71 -0.21 -1.64 0.04 0.00 0.00 177.00 174.37 1i1d s MET 65 N 3.41 1.66 0.00 4.56 -1.94 -0.03 -0.43 119.30 126.54 1i1d s MET 65 Ca 0.60 -1.30 0.05 0.00 -1.71 0.00 0.00 55.69 53.33 1i1d s MET 65 Cb -0.26 -2.01 -0.01 0.00 2.01 0.00 0.00 34.83 34.56 1i1d s MET 65 CO 0.20 0.45 -0.15 0.08 -0.01 0.00 0.00 175.02 175.59 1i1d s VAL 66 N -1.28 1.19 -0.19 -6.03 1.01 0.23 -2.43 120.40 112.90 1i1d s VAL 66 Ca 0.18 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 1i1d s VAL 66 Cb -0.10 -1.01 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 1i1d s VAL 66 CO 0.09 0.25 0.11 -0.63 0.00 0.00 0.00 175.10 174.93 1i1d s ILE 67 N -0.48 5.27 -0.07 2.22 1.01 -0.06 -1.72 121.20 127.36 1i1d s ILE 67 Ca 0.05 0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.88 1i1d s ILE 67 Cb -0.06 -3.39 -0.01 0.00 0.01 0.00 0.00 42.46 39.00 1i1d s ILE 67 CO -0.00 0.46 -0.21 -0.69 0.00 0.00 0.00 174.94 174.50 1i1d s VAL 68 N 0.26 2.42 -0.61 2.92 1.01 0.20 -0.17 120.40 126.43 1i1d s VAL 68 Ca 0.07 -0.93 -0.23 0.00 0.00 0.00 0.00 61.98 60.90 1i1d s VAL 68 Cb -0.11 -1.93 0.06 0.00 0.00 0.00 0.00 36.38 34.40 1i1d s VAL 68 CO -0.01 0.56 0.93 -0.62 0.00 0.00 0.00 175.10 175.96 1i1d s ASP 69 N -0.12 6.23 0.37 3.32 -1.08 -0.13 -1.86 116.67 123.39 1i1d s ASP 69 Ca -0.04 -0.76 0.06 0.00 -0.52 0.00 0.00 52.55 51.29 1i1d s ASP 69 Cb -0.14 -2.41 0.76 0.00 -1.46 0.00 0.00 42.92 39.66 1i1d s ASP 69 CO 0.04 -1.32 1.98 0.50 0.52 0.00 0.00 175.17 176.88 1i1d h LYS 70 N 9.43 0.71 -0.50 4.34 1.63 -1.44 0.93 116.57 131.67 1i1d h LYS 70 Ca -0.28 -0.04 0.09 0.00 -0.85 0.00 0.00 60.65 59.57 1i1d h LYS 70 Cb 1.07 -0.16 -0.07 0.00 -0.60 0.00 0.00 32.23 32.47 1i1d h LYS 70 CO 1.13 0.47 0.07 -0.09 -3.45 0.00 0.00 179.45 177.58 1i1d h ARG 71 N 0.73 0.20 -0.24 1.90 2.43 -1.92 -2.35 114.38 115.13 1i1d h ARG 71 Ca 0.29 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1i1d h ARG 71 Cb 0.20 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1i1d h ARG 71 CO -0.09 0.13 0.00 0.25 -1.51 0.00 0.00 179.97 178.75 1i1d n THR 72 N -5.15 0.45 -3.89 0.20 -2.24 -1.07 -4.97 114.28 97.61 1i1d n THR 72 Ca 0.06 -0.72 -0.30 0.00 -2.27 0.00 0.00 64.05 60.81 1i1d n THR 72 Cb 0.26 0.96 0.02 0.00 -2.10 0.00 0.00 70.33 69.48 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 0.94 -5.41 -4.00 -0.78 -0.58 0.27 -4.97 120.64 106.12 1i1d n GLU 73 Ca 0.13 0.59 -0.36 0.00 -0.42 0.00 0.00 57.16 57.10 1i1d n GLU 73 Cb 0.45 -5.48 -0.07 0.00 -0.57 0.00 0.00 31.44 25.77 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 -3.28 5.22 -0.25 2.62 2.01 -0.91 -4.91 115.64 116.15 1i1d s THR 74 Ca 0.66 0.10 -0.29 0.00 0.31 0.00 0.00 61.69 62.47 1i1d s THR 74 Cb -0.33 -3.26 0.01 0.00 0.01 0.00 0.00 72.50 68.93 1i1d s THR 74 CO 0.81 0.62 1.11 -0.69 -0.69 0.00 0.00 174.62 175.78 1i1d s VAL 75 N -0.99 4.52 -0.10 3.82 1.01 -1.26 -0.96 120.40 126.44 1i1d s VAL 75 Ca 0.15 1.81 0.15 0.00 0.00 0.00 0.00 61.98 64.09 1i1d s VAL 75 Cb -0.12 -4.27 -0.14 0.00 0.00 0.00 0.00 36.38 31.85 1i1d s VAL 75 CO 0.04 -0.28 0.87 0.00 0.00 0.00 0.00 175.10 175.72 1i1d h ALA 76 N 7.90 0.67 -2.59 5.51 0.00 -0.91 -3.45 119.26 126.38 1i1d h ALA 76 Ca -0.21 -0.95 0.05 0.00 0.00 0.00 0.00 54.91 53.80 1i1d h ALA 76 Cb 1.07 0.27 -0.14 0.00 0.00 0.00 0.00 17.79 19.00 1i1d h ALA 76 CO 1.00 1.05 0.37 0.00 0.00 0.00 0.00 179.25 181.67 1i1d s ALA 77 N -2.85 -1.73 0.02 0.00 0.00 -1.17 -0.76 121.76 115.27 1i1d s ALA 77 Ca -0.02 0.78 -0.10 0.00 0.00 0.00 0.00 51.96 52.62 1i1d s ALA 77 Cb 0.08 0.62 0.01 0.00 0.00 0.00 0.00 23.12 23.84 1i1d s ALA 77 CO 0.81 -0.72 0.21 -0.08 0.00 0.00 0.00 175.76 175.97 1i1d s THR 78 N -3.40 0.09 0.12 0.00 -1.32 -0.44 -0.88 115.64 109.81 1i1d s THR 78 Ca 0.03 -0.73 -0.25 0.00 -1.21 0.00 0.00 61.69 59.54 1i1d s THR 78 Cb -0.01 -0.69 0.07 0.00 -1.51 0.00 0.00 72.50 70.36 1i1d s THR 78 CO -0.11 -0.40 0.78 -0.83 -2.21 0.00 0.00 174.62 171.85 1i1d s GLY 79 N -1.69 -0.41 0.07 6.08 0.00 -1.02 -1.12 107.32 109.23 1i1d s GLY 79 Ca -0.10 0.47 -0.05 0.00 0.00 0.00 0.00 44.72 45.03 1i1d s GLY 79 CO -0.00 0.15 0.09 0.21 0.00 0.00 0.00 173.10 173.55 1i1d s ASN 80 N -2.73 0.29 -0.05 1.64 3.84 -0.07 -0.85 114.94 117.01 1i1d s ASN 80 Ca 0.06 -0.80 -0.01 0.00 0.21 0.00 0.00 52.86 52.32 1i1d s ASN 80 Cb -0.02 0.27 0.03 0.00 -0.55 0.00 0.00 41.25 40.98 1i1d s ASN 80 CO -0.06 -0.66 0.01 -0.51 -2.79 0.00 0.00 177.10 173.09 1i1d s ILE 81 N -3.84 0.24 -0.17 -5.21 2.07 -1.21 -0.89 121.20 112.19 1i1d s ILE 81 Ca 0.05 0.16 -0.07 0.00 -1.41 0.00 0.00 60.65 59.39 1i1d s ILE 81 Cb 0.06 -0.39 -0.04 0.00 0.13 0.00 0.00 42.46 42.22 1i1d s ILE 81 CO -0.10 0.21 0.05 -0.63 -1.91 0.00 0.00 174.94 172.56 1i1d s ILE 82 N 1.70 4.67 -0.19 2.00 1.09 0.42 -2.26 121.20 128.64 1i1d s ILE 82 Ca 0.00 -0.08 -0.09 0.00 -1.10 0.00 0.00 60.65 59.38 1i1d s ILE 82 Cb -0.13 -3.09 -0.05 0.00 -1.06 0.00 0.00 42.46 38.14 1i1d s ILE 82 CO -0.03 0.48 0.11 -0.63 -0.10 0.00 0.00 174.94 174.76 1i1d s ILE 83 N 0.28 5.19 -0.07 2.92 -1.09 0.34 -0.31 121.20 128.47 1i1d s ILE 83 Ca 0.03 0.11 0.05 0.00 -2.23 0.00 0.00 60.65 58.61 1i1d s ILE 83 Cb -0.12 -3.35 -0.00 0.00 -1.58 0.00 0.00 42.46 37.40 1i1d s ILE 83 CO 0.01 0.46 -0.22 -0.70 -1.23 0.00 0.00 174.94 173.25 1i1d s GLU 84 N 0.29 2.43 -0.14 2.79 2.12 0.12 -4.78 118.70 121.52 1i1d s GLU 84 Ca 0.07 -0.79 -0.10 0.00 0.36 0.00 0.00 54.97 54.50 1i1d s GLU 84 Cb -0.11 -1.99 -0.05 0.00 0.26 0.00 0.00 34.13 32.23 1i1d s GLU 84 CO -0.01 0.27 0.20 0.50 -0.54 0.00 0.00 175.26 175.68 1i1d s ARG 85 N 0.07 3.91 0.33 4.30 3.52 -1.26 -0.75 118.95 129.07 1i1d s ARG 85 Ca -0.08 -0.04 0.01 0.00 -0.13 0.00 0.00 55.73 55.48 1i1d s ARG 85 Cb -0.14 -3.32 0.01 0.00 -1.56 0.00 0.00 34.95 29.94 1i1d s ARG 85 CO 0.05 0.50 0.05 1.63 -0.81 0.00 0.00 175.30 176.72 1i1d n LYS 86 N 2.79 1.16 -0.13 5.12 5.02 0.03 -5.00 118.16 127.16 1i1d n LYS 86 Ca -0.16 -2.35 -0.17 0.00 -2.02 0.00 0.00 58.31 53.61 1i1d n LYS 86 Cb 0.53 0.55 -0.13 0.00 -0.02 0.00 0.00 35.03 35.97 1i1d n LYS 86 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1i1d n ILE 87 N -0.92 1.47 -0.77 -0.18 5.41 -1.26 -3.55 119.36 119.56 1i1d n ILE 87 Ca -0.11 -0.62 -0.31 0.00 1.00 0.00 0.00 62.75 62.72 1i1d n ILE 87 Cb 0.41 -1.27 0.17 0.00 -0.71 0.00 0.00 39.64 38.24 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 -2.51 2.25 -1.39 1.39 -4.36 -1.26 -1.24 121.20 114.08 1i1d s ILE 88 Ca -0.31 0.08 -0.07 0.00 -0.26 0.00 0.00 60.65 60.09 1i1d s ILE 88 Cb 0.09 -2.19 0.03 0.00 1.25 0.00 0.00 42.46 41.63 1i1d s ILE 88 CO 0.64 -0.11 0.99 1.41 0.24 0.00 0.00 174.94 178.10 1i1d n HIS 89 N -4.23 -2.38 -3.46 1.37 8.25 -1.26 -1.24 115.22 112.27 1i1d n HIS 89 Ca 0.10 0.93 -0.23 0.00 -0.26 0.00 0.00 57.72 58.26 1i1d n HIS 89 Cb 0.53 -4.54 0.06 0.00 1.12 0.00 0.00 29.99 27.15 1i1d n HIS 89 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1i1d n GLU 90 N -4.62 -1.71 -3.60 -0.41 1.02 -1.21 -2.35 120.64 107.77 1i1d n GLU 90 Ca -0.09 0.69 -0.21 0.00 -0.02 0.00 0.00 57.16 57.53 1i1d n GLU 90 Cb 0.59 -4.97 0.06 0.00 -0.02 0.00 0.00 31.44 27.10 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 -3.64 -3.48 -4.74 -4.62 4.77 -0.38 -4.96 117.00 99.95 1i1d n LEU 91 Ca -0.08 -0.69 -0.31 0.00 -0.03 0.00 0.00 56.01 54.90 1i1d n LEU 91 Cb 0.60 -2.90 0.11 0.00 -2.33 0.00 0.00 43.42 38.90 1i1d n LEU 91 CO 0.63 0.44 0.69 -0.83 -1.33 0.00 0.00 177.39 176.98 1i1d s GLY 92 N -4.12 1.66 -0.12 -0.72 0.00 -0.37 -4.60 107.32 99.05 1i1d s GLY 92 Ca 0.15 0.22 -0.03 0.00 0.00 0.00 0.00 44.72 45.06 1i1d s GLY 92 CO 0.77 0.61 -0.02 1.08 0.00 0.00 0.00 173.10 175.54 1i1d s LEU 93 N -6.07 3.40 -0.08 0.66 1.43 -1.26 -0.79 118.68 115.97 1i1d s LEU 93 Ca 0.62 0.00 0.04 0.00 -1.03 0.00 0.00 54.13 53.77 1i1d s LEU 93 Cb -0.18 -1.79 -0.00 0.00 0.03 0.00 0.00 46.19 44.25 1i1d s LEU 93 CO 0.57 0.28 -0.21 0.00 0.23 0.00 0.00 176.35 177.21 1i1d s GLY 95 N 0.26 2.30 -0.26 0.00 0.00 -0.61 -0.70 107.32 108.31 1i1d s GLY 95 Ca -0.13 -0.47 0.01 0.00 0.00 0.00 0.00 44.72 44.13 1i1d s GLY 95 CO 0.06 -0.26 -0.04 0.30 0.00 0.00 0.00 173.10 173.17 1i1d s HIS 96 N -1.31 2.70 -0.02 1.90 3.76 0.58 -1.01 115.29 121.88 1i1d s HIS 96 Ca 0.29 -2.04 -0.27 0.00 -0.15 0.00 0.00 55.06 52.89 1i1d s HIS 96 Cb -0.14 -1.85 -0.04 0.00 1.11 0.00 0.00 32.58 31.67 1i1d s HIS 96 CO 0.16 -0.83 0.84 0.42 -0.85 0.00 0.00 174.74 174.48 1i1d s ILE 97 N 1.29 4.92 0.05 0.60 1.01 -0.22 -0.43 121.20 128.41 1i1d s ILE 97 Ca -0.03 1.76 -0.01 0.00 0.00 0.00 0.00 60.65 62.36 1i1d s ILE 97 Cb -0.19 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 1i1d s ILE 97 CO -0.08 0.22 -0.02 -1.61 0.00 0.00 0.00 174.94 173.46 1i1d s GLU 98 N 0.79 0.58 -1.25 2.79 0.41 -0.07 -4.56 118.70 117.39 1i1d s GLU 98 Ca 0.44 -1.12 -0.06 0.00 -0.41 0.00 0.00 54.97 53.83 1i1d s GLU 98 Cb -0.20 0.20 -0.01 0.00 -1.78 0.00 0.00 34.13 32.35 1i1d s GLU 98 CO 0.23 -0.11 0.71 -0.25 -0.49 0.00 0.00 175.26 175.35 1i1d n ASP 99 N 0.31 -2.61 -4.71 -0.19 8.00 -1.26 -0.89 116.55 115.19 1i1d n ASP 99 Ca -0.15 -0.88 -0.42 0.00 0.71 0.00 0.00 54.79 54.05 1i1d n ASP 99 Cb 0.60 -3.89 -0.03 0.00 -0.02 0.00 0.00 41.12 37.78 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 -3.63 4.89 -0.17 0.53 -1.09 -1.26 -3.95 121.20 116.52 1i1d s ILE 100 Ca 0.16 1.97 -0.08 0.00 -2.23 0.00 0.00 60.65 60.47 1i1d s ILE 100 Cb -0.05 -4.28 0.07 0.00 -1.58 0.00 0.00 42.46 36.62 1i1d s ILE 100 CO 0.83 0.16 0.39 0.00 -1.23 0.00 0.00 174.94 175.09 1i1d s ALA 101 N 1.04 -1.02 -0.14 9.38 0.00 -0.27 -4.97 121.76 125.78 1i1d s ALA 101 Ca 0.50 1.45 0.01 0.00 0.00 0.00 0.00 51.96 53.91 1i1d s ALA 101 Cb -0.20 -1.04 -0.00 0.00 0.00 0.00 0.00 23.12 21.88 1i1d s ALA 101 CO 0.26 -0.43 -0.16 0.08 0.00 0.00 0.00 175.76 175.50 1i1d s VAL 102 N 1.83 2.64 0.48 0.00 1.01 -1.26 -1.33 120.40 123.76 1i1d s VAL 102 Ca -0.06 -0.79 -0.24 0.00 0.00 0.00 0.00 61.98 60.88 1i1d s VAL 102 Cb -0.10 -2.10 -0.07 0.00 0.00 0.00 0.00 36.38 34.11 1i1d s VAL 102 CO -0.12 0.52 1.42 0.20 0.00 0.00 0.00 175.10 177.12 1i1d s ASN 103 N 0.68 5.66 0.21 3.32 0.01 0.06 -4.82 114.94 120.05 1i1d s ASN 103 Ca -0.08 2.91 -0.15 0.00 -0.71 0.00 0.00 52.86 54.84 1i1d s ASN 103 Cb -0.16 -2.65 0.22 0.00 0.41 0.00 0.00 41.25 39.07 1i1d s ASN 103 CO 0.02 -1.32 1.62 -1.28 -1.51 0.00 0.00 177.10 174.63 1i1d h SER 104 N 2.06 -0.65 -0.01 -1.22 0.87 -1.97 0.98 113.55 113.61 1i1d h SER 104 Ca -0.51 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1i1d h SER 104 Cb 1.28 0.41 -0.00 0.00 -0.44 0.00 0.00 62.40 63.64 1i1d h SER 104 CO 0.60 -0.22 0.14 0.11 -0.53 0.00 0.00 176.83 176.93 1i1d h LYS 105 N -0.03 0.00 -0.20 2.24 1.79 -1.96 -2.08 116.57 116.33 1i1d h LYS 105 Ca 0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 1i1d h LYS 105 Cb 0.47 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1i1d h LYS 105 CO -0.64 0.00 0.00 0.66 -1.08 0.00 0.00 179.45 178.39 1i1d n TYR 106 N -3.04 0.25 -1.88 -1.35 4.02 0.31 -5.01 117.16 110.47 1i1d n TYR 106 Ca -0.02 -0.22 -0.30 0.00 -0.01 0.00 0.00 57.90 57.34 1i1d n TYR 106 Cb 0.20 -0.01 0.03 0.00 -0.02 0.00 0.00 39.34 39.55 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 -1.09 3.16 -0.47 -0.72 -0.21 -0.78 -4.01 119.66 115.54 1i1d s GLN 107 Ca 0.22 0.58 0.00 0.00 0.02 0.00 0.00 55.36 56.18 1i1d s GLN 107 Cb 0.13 -2.04 0.00 0.00 1.00 0.00 0.00 33.01 32.10 1i1d s GLN 107 CO 0.18 -0.85 0.00 0.41 -2.12 0.00 0.00 175.29 172.92 1i1d n GLY 108 N -2.90 0.72 0.00 3.09 0.00 -1.26 -4.88 105.19 99.97 1i1d n GLY 108 Ca 0.07 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.70 1.45 -0.64 1.61 6.02 -1.26 -4.99 117.38 116.88 1i1d n GLN 109 Ca -0.04 -1.11 0.00 0.00 -0.01 0.00 0.00 57.00 55.84 1i1d n GLN 109 Cb 0.17 -0.99 0.00 0.00 1.02 0.00 0.00 30.24 30.43 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 -0.30 0.73 0.13 1.08 0.00 -1.26 -4.94 105.19 100.62 1i1d n GLY 110 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.29 -0.29 0.99 3.38 -1.94 -1.98 115.31 115.75 1i1d h LEU 111 Ca 0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1i1d h LEU 111 Cb 0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1i1d h LEU 111 CO 0.00 1.03 0.12 1.23 0.09 0.00 0.00 178.44 180.91 1i1d h GLY 112 N 1.76 0.46 0.98 0.83 0.00 -1.92 -0.06 103.07 105.12 1i1d h GLY 112 Ca -0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1i1d h GLY 112 CO 0.13 0.23 0.25 1.70 0.00 0.00 0.00 176.54 178.86 1i1d h LYS 113 N 0.33 0.63 -0.66 4.80 3.64 -1.95 -0.76 116.57 122.60 1i1d h LYS 113 Ca 0.10 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 1i1d h LYS 113 Cb 0.16 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1i1d h LYS 113 CO -0.01 0.50 0.23 -0.07 -2.27 0.00 0.00 179.45 177.83 1i1d h LEU 114 N 0.60 0.91 -0.07 5.20 3.38 -1.22 0.16 115.31 124.27 1i1d h LEU 114 Ca 0.16 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1i1d h LEU 114 Cb 0.05 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1i1d h LEU 114 CO -0.03 0.83 0.04 0.25 0.09 0.00 0.00 178.44 179.63 1i1d h LEU 115 N 0.96 0.07 -0.81 1.67 5.85 -0.59 -0.75 115.31 121.71 1i1d h LEU 115 Ca 0.22 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1i1d h LEU 115 Cb 0.23 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1i1d h LEU 115 CO -0.01 0.05 0.50 0.40 -0.34 0.00 0.00 178.44 179.04 1i1d h ILE 116 N 0.09 1.23 -0.96 4.05 1.08 -0.75 -1.21 117.51 121.03 1i1d h ILE 116 Ca 0.02 -0.49 0.02 0.00 -0.39 0.00 0.00 64.86 64.03 1i1d h ILE 116 Cb -0.01 0.08 -0.05 0.00 -3.07 0.00 0.00 36.82 33.77 1i1d h ILE 116 CO -0.01 0.23 0.63 0.44 -0.69 0.00 0.00 178.15 178.76 1i1d h ASP 117 N 1.12 1.07 -0.21 1.72 3.32 -0.38 -0.03 116.42 123.01 1i1d h ASP 117 Ca 0.29 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.20 1i1d h ASP 117 Cb -0.05 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 1i1d h ASP 117 CO -0.06 0.75 -0.31 1.56 -1.72 0.00 0.00 179.24 179.46 1i1d h GLN 118 N 1.25 0.72 -0.41 3.56 1.08 -0.63 -1.30 115.11 119.39 1i1d h GLN 118 Ca 0.37 -0.33 -0.08 0.00 -1.45 0.00 0.00 58.65 57.16 1i1d h GLN 118 Cb -0.06 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 1i1d h GLN 118 CO -0.10 0.94 -0.07 -0.07 -0.95 0.00 0.00 178.83 178.57 1i1d h LEU 119 N 0.61 0.77 -0.85 1.46 3.38 -0.58 -0.84 115.31 119.26 1i1d h LEU 119 Ca 0.07 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1i1d h LEU 119 Cb 0.83 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1i1d h LEU 119 CO 0.07 0.94 0.52 0.58 0.09 0.00 0.00 178.44 180.64 1i1d h VAL 120 N 0.58 1.23 -0.69 1.22 2.07 -0.93 -0.77 116.25 118.96 1i1d h VAL 120 Ca 0.11 -0.49 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 1i1d h VAL 120 Cb 0.59 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1i1d h VAL 120 CO 0.04 0.24 0.22 0.74 0.02 0.00 0.00 177.57 178.83 1i1d h THR 121 N 1.16 1.25 -0.34 2.57 2.02 -0.84 0.37 112.91 119.10 1i1d h THR 121 Ca 0.31 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 1i1d h THR 121 Cb -0.07 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1i1d h THR 121 CO -0.06 0.33 0.18 0.40 0.37 0.00 0.00 175.52 176.74 1i1d h ILE 122 N 1.02 1.15 -0.21 3.11 2.04 -0.63 0.95 117.51 124.94 1i1d h ILE 122 Ca 0.23 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1i1d h ILE 122 Cb 0.28 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1i1d h ILE 122 CO -0.01 0.16 0.08 1.23 0.00 0.00 0.00 178.15 179.61 1i1d h GLY 123 N 0.43 0.34 1.46 5.37 0.00 -0.59 -2.26 103.07 107.82 1i1d h GLY 123 Ca 0.12 -0.19 -0.09 0.00 0.00 0.00 0.00 47.33 47.17 1i1d h GLY 123 CO -0.02 0.18 -0.16 0.74 0.00 0.00 0.00 176.54 177.28 1i1d h PHE 124 N 0.18 0.70 -0.02 5.60 0.04 -0.84 -1.63 116.94 120.97 1i1d h PHE 124 Ca 0.07 -0.13 -0.04 0.00 2.80 0.00 0.00 57.97 60.67 1i1d h PHE 124 Cb 0.18 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 1i1d h PHE 124 CO -0.01 0.75 -0.19 -0.44 -0.60 0.00 0.00 178.31 177.82 1i1d h ASP 125 N 0.57 0.03 1.12 2.17 3.32 -0.64 -0.26 116.42 122.74 1i1d h ASP 125 Ca 0.10 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1i1d h ASP 125 Cb 0.59 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1i1d h ASP 125 CO 0.04 0.23 0.00 1.88 -1.72 0.00 0.00 179.24 179.67 1i1d h TYR 126 N 0.04 0.00 0.00 4.55 0.05 -0.95 -3.47 116.97 117.19 1i1d h TYR 126 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1i1d h TYR 126 Cb 0.36 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.10 1i1d h TYR 126 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 1i1d n GLY 127 N 0.64 1.15 3.75 3.88 0.00 -0.11 -5.05 105.19 109.45 1i1d n GLY 127 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 4.96 0.00 -2.96 0.00 -0.00 -1.58 -3.43 116.97 113.97 1i1d h TYR 129 Ca -0.47 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.22 1i1d h TYR 129 Cb 1.22 0.00 -0.14 0.00 0.00 0.00 0.00 36.73 37.81 1i1d h TYR 129 CO 0.59 0.00 0.07 -1.59 -0.00 0.00 0.00 178.16 177.23 1i1d s LYS 130 N -3.20 1.12 -0.05 0.10 -2.85 -1.25 -5.10 119.74 108.50 1i1d s LYS 130 Ca 0.06 -0.40 0.01 0.00 -1.00 0.00 0.00 55.97 54.65 1i1d s LYS 130 Cb 0.10 0.51 0.02 0.00 -2.06 0.00 0.00 37.83 36.39 1i1d s LYS 130 CO 0.69 -0.44 -0.07 0.42 0.10 0.00 0.00 175.35 176.05 1i1d s ILE 131 N -3.11 0.71 0.33 3.79 1.01 -1.26 -1.57 121.20 121.09 1i1d s ILE 131 Ca -0.02 -0.22 0.06 0.00 0.00 0.00 0.00 60.65 60.48 1i1d s ILE 131 Cb -0.00 -0.71 -0.07 0.00 0.01 0.00 0.00 42.46 41.70 1i1d s ILE 131 CO -0.07 0.27 -0.00 0.27 0.00 0.00 0.00 174.94 175.40 1i1d s ILE 132 N 0.91 1.61 0.12 2.92 -4.36 -0.18 -4.96 121.20 117.26 1i1d s ILE 132 Ca -0.11 -2.06 -0.25 0.00 -0.26 0.00 0.00 60.65 57.97 1i1d s ILE 132 Cb -0.15 -2.71 0.07 0.00 1.25 0.00 0.00 42.46 40.93 1i1d s ILE 132 CO 0.01 -0.12 0.74 -1.48 0.24 0.00 0.00 174.94 174.33 1i1d s LEU 133 N -3.53 -0.42 -0.07 0.37 0.05 -1.26 -1.06 118.68 112.76 1i1d s LEU 133 Ca 0.33 -0.12 0.04 0.00 0.05 0.00 0.00 54.13 54.44 1i1d s LEU 133 Cb 0.07 2.39 -0.02 0.00 -2.05 0.00 0.00 46.19 46.58 1i1d s LEU 133 CO 0.15 -0.90 -0.19 -1.81 -0.55 0.00 0.00 176.35 173.05 1i1d s ASP 134 N -2.71 3.57 0.18 1.48 1.01 -1.26 -5.04 116.67 113.91 1i1d s ASP 134 Ca 0.05 -0.37 0.01 0.00 0.71 0.00 0.00 52.55 52.95 1i1d s ASP 134 Cb -0.02 -0.95 -0.04 0.00 1.01 0.00 0.00 42.92 42.92 1i1d s ASP 134 CO -0.08 0.27 0.05 0.00 0.21 0.00 0.00 175.17 175.62 1i1d s ASP 136 N -3.16 6.36 0.39 0.00 1.01 -1.26 -4.92 116.67 115.10 1i1d s ASP 136 Ca 0.28 1.80 0.14 0.00 0.71 0.00 0.00 52.55 55.47 1i1d s ASP 136 Cb 0.07 -2.54 0.97 0.00 1.01 0.00 0.00 42.92 42.43 1i1d s ASP 136 CO 0.06 -0.76 1.87 -0.08 0.21 0.00 0.00 175.17 176.46 1i1d h GLU 137 N 1.24 0.51 0.00 8.23 4.57 -2.02 0.13 114.58 127.24 1i1d h GLU 137 Ca -0.48 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1i1d h GLU 137 Cb 1.21 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1i1d h GLU 137 CO 0.59 0.34 0.00 0.36 -1.18 0.00 0.00 179.01 179.12 1i1d n LYS 138 N -4.54 0.00 -0.01 1.92 2.85 -1.26 -2.09 118.16 115.04 1i1d n LYS 138 Ca 0.18 0.25 0.10 0.00 -1.05 0.00 0.00 58.31 57.79 1i1d n LYS 138 Cb 0.58 -1.51 0.09 0.00 -0.65 0.00 0.00 35.03 33.54 1i1d n LYS 138 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1i1d n ASN 139 N -1.52 2.68 -0.20 -5.58 3.02 0.03 -4.58 115.26 109.11 1i1d n ASN 139 Ca 0.03 -1.83 -0.01 0.00 -0.03 0.00 0.00 54.58 52.74 1i1d n ASN 139 Cb 0.17 -0.01 0.10 0.00 -0.61 0.00 0.00 39.78 39.43 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 3.89 0.84 -0.95 2.41 2.07 -1.40 -2.35 116.25 120.76 1i1d h VAL 140 Ca 0.00 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.40 1i1d h VAL 140 Cb 0.83 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.86 1i1d h VAL 140 CO 0.00 0.09 0.62 0.11 0.02 0.00 0.00 177.57 178.41 1i1d h LYS 141 N 0.48 1.15 -0.53 1.57 1.57 -1.81 0.09 116.57 119.08 1i1d h LYS 141 Ca 0.29 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1i1d h LYS 141 Cb 0.30 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1i1d h LYS 141 CO -0.26 0.76 0.25 0.35 -0.57 0.00 0.00 179.45 179.99 1i1d h PHE 142 N 1.18 0.77 -0.17 -1.35 3.57 -1.75 -1.96 116.94 117.23 1i1d h PHE 142 Ca 0.39 -0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.73 1i1d h PHE 142 Cb 0.05 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 1i1d h PHE 142 CO -0.00 0.60 -0.38 1.88 -2.23 0.00 0.00 178.31 178.18 1i1d h TYR 143 N 0.71 0.43 -0.51 0.41 -1.99 -0.86 -1.73 116.97 113.43 1i1d h TYR 143 Ca 0.18 -0.11 -0.04 0.00 2.00 0.00 0.00 58.73 60.76 1i1d h TYR 143 Cb 0.12 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 38.73 1i1d h TYR 143 CO -0.00 0.70 0.17 0.93 -0.00 0.00 0.00 178.16 179.96 1i1d h GLU 144 N 0.31 0.75 0.00 4.88 5.08 -0.85 -0.67 114.58 124.08 1i1d h GLU 144 Ca 0.03 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1i1d h GLU 144 Cb 0.82 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1i1d h GLU 144 CO 0.07 0.65 0.00 1.63 -1.00 0.00 0.00 179.01 180.36 1i1d n LYS 145 N -4.32 0.20 0.00 2.33 5.02 -0.70 -1.37 118.16 119.32 1i1d n LYS 145 Ca 0.04 0.40 0.13 0.00 -2.02 0.00 0.00 58.31 56.86 1i1d n LYS 145 Cb 0.19 -1.86 0.43 0.00 -0.02 0.00 0.00 35.03 33.76 1i1d n LYS 145 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i1d n GLY 147 N 1.25 0.74 3.90 0.00 0.00 -0.47 -4.94 105.19 105.67 1i1d n GLY 147 Ca 0.16 0.00 -0.28 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 -2.00 3.52 0.08 1.61 0.40 -0.46 -5.00 117.98 116.14 1i1d s PHE 148 Ca 0.00 0.81 0.05 0.00 -0.60 0.00 0.00 56.93 57.18 1i1d s PHE 148 Cb 0.00 -2.27 -0.03 0.00 0.51 0.00 0.00 43.02 41.23 1i1d s PHE 148 CO 0.00 -0.14 -0.13 -1.54 0.70 0.00 0.00 175.22 174.11 1i1d s SER 149 N -3.75 1.55 -0.02 1.36 1.04 -1.26 -4.02 113.70 108.59 1i1d s SER 149 Ca 0.47 -0.66 -0.30 0.00 0.48 0.00 0.00 55.95 55.95 1i1d s SER 149 Cb -0.10 -0.03 -0.07 0.00 0.10 0.00 0.00 66.02 65.92 1i1d s SER 149 CO 0.39 -0.13 1.79 0.21 0.98 0.00 0.00 173.24 176.48 1i1d s ASN 150 N -1.90 6.55 0.00 7.02 3.04 -1.26 -4.88 114.94 123.51 1i1d s ASN 150 Ca -0.01 2.39 0.02 0.00 0.04 0.00 0.00 52.86 55.31 1i1d s ASN 150 Cb -0.08 -2.53 -0.02 0.00 -1.54 0.00 0.00 41.25 37.07 1i1d s ASN 150 CO 0.02 -1.01 0.13 0.00 -3.04 0.00 0.00 177.10 173.20 1i1d n ALA 151 N 7.42 2.33 0.00 1.71 0.00 -1.26 -5.12 120.51 125.59 1i1d n ALA 151 Ca 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1i1d n ALA 151 Cb 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 1.02 -1.20 3.40 0.00 0.00 -1.26 -5.13 105.19 102.01 1i1d n GLY 152 Ca 0.01 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 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 -3.00 3.07 -0.12 1.61 1.01 -1.26 -5.10 120.40 116.61 1i1d s VAL 153 Ca 0.00 -0.67 -0.22 0.00 0.00 0.00 0.00 61.98 61.09 1i1d s VAL 153 Cb 0.00 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 1i1d s VAL 153 CO 0.00 0.54 0.67 -0.70 0.00 0.00 0.00 175.10 175.61 1i1d s GLU 154 N 0.11 4.35 -0.06 2.72 2.12 -1.26 -5.05 118.70 121.64 1i1d s GLU 154 Ca -0.06 0.78 0.03 0.00 0.36 0.00 0.00 54.97 56.09 1i1d s GLU 154 Cb -0.15 -3.49 -0.03 0.00 0.26 0.00 0.00 34.13 30.72 1i1d s GLU 154 CO 0.05 -0.05 -0.14 -1.64 -0.54 0.00 0.00 175.26 172.94 1i1d s MET 155 N 1.22 2.57 0.12 4.30 -1.94 -1.26 -5.14 119.30 119.16 1i1d s MET 155 Ca 0.34 -0.69 0.03 0.00 -1.71 0.00 0.00 55.69 53.66 1i1d s MET 155 Cb -0.17 -2.40 -0.04 0.00 2.01 0.00 0.00 34.83 34.23 1i1d s MET 155 CO 0.15 0.60 -0.08 1.14 -0.01 0.00 0.00 175.02 176.81 1i1d s GLN 156 N -0.66 0.91 -0.02 2.03 -2.07 -1.26 -5.14 119.66 113.46 1i1d s GLN 156 Ca 0.10 -1.35 -0.00 0.00 -1.82 0.00 0.00 55.36 52.28 1i1d s GLN 156 Cb -0.11 -0.39 0.03 0.00 -1.09 0.00 0.00 33.01 31.45 1i1d s GLN 156 CO 0.01 0.03 0.04 -1.50 -1.32 0.00 0.00 175.29 172.54 1i1d s ILE 157 N -3.37 -0.07 0.01 3.63 2.07 -1.26 -5.16 121.20 117.05 1i1d s ILE 157 Ca 0.13 0.26 0.03 0.00 -1.41 0.00 0.00 60.65 59.66 1i1d s ILE 157 Cb 0.03 -0.10 -0.03 0.00 0.13 0.00 0.00 42.46 42.49 1i1d s ILE 157 CO -0.02 0.11 -0.05 -0.13 -1.91 0.00 0.00 174.94 172.94 1i1d s ARG 158 N 1.29 2.60 0.00 3.50 0.52 -1.26 -5.37 118.95 120.23 1i1d s ARG 158 Ca -0.06 -0.71 0.01 0.00 -0.52 0.00 0.00 55.73 54.45 1i1d s ARG 158 Cb -0.13 -2.54 0.06 0.00 0.52 0.00 0.00 34.95 32.86 1i1d s ARG 158 CO -0.03 0.60 0.55 1.17 0.02 0.00 0.00 175.30 177.61