#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hde n PRO 2 N 0.00 1.44 0.03 3.17 -0.02 -1.26 -4.79 135.00 133.56 3hde n PRO 2 Ca 0.00 0.51 0.04 0.00 -2.02 0.00 0.00 63.50 62.03 3hde n PRO 2 Cb 0.00 -1.97 0.42 0.00 -0.02 0.00 0.00 33.50 31.94 3hde n PRO 2 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3hde h PRO 3 N 2.72 0.48 -0.59 0.52 0.11 -2.06 -1.84 132.00 131.34 3hde h PRO 3 Ca -0.42 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 3hde h PRO 3 Cb 1.33 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 3hde h PRO 3 CO 0.65 0.36 0.20 0.66 -0.21 0.00 0.00 178.00 179.66 3hde h SER 4 N 0.49 0.81 -0.17 -2.05 4.64 -2.00 -0.99 113.55 114.28 3hde h SER 4 Ca 0.13 -0.12 -0.19 0.00 -0.47 0.00 0.00 61.79 61.14 3hde h SER 4 Cb 0.01 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 61.89 3hde h SER 4 CO -0.02 0.75 -0.59 0.25 -0.87 0.00 0.00 176.83 176.36 3hde h LEU 5 N 0.85 0.87 -0.68 5.97 5.85 -1.71 -2.07 115.31 124.40 3hde h LEU 5 Ca 0.20 -0.48 0.08 0.00 0.84 0.00 0.00 57.88 58.51 3hde h LEU 5 Cb 0.23 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 3hde h LEU 5 CO -0.01 1.26 0.35 0.03 -0.34 0.00 0.00 178.44 179.73 3hde h ARG 6 N 0.58 0.61 -0.36 1.25 -0.00 -0.74 0.22 114.38 115.93 3hde h ARG 6 Ca 0.00 -0.04 -0.13 0.00 -0.50 0.00 0.00 59.98 59.31 3hde h ARG 6 Cb 1.18 -0.14 -0.01 0.00 0.00 0.00 0.00 29.97 31.01 3hde h ARG 6 CO 0.12 0.40 -0.29 1.57 0.00 0.00 0.00 179.97 181.77 3hde h LYS 7 N 0.62 0.83 -0.03 0.04 5.09 -1.08 -2.10 116.57 119.95 3hde h LYS 7 Ca 0.32 -0.41 -0.00 0.00 0.09 0.00 0.00 60.65 60.64 3hde h LYS 7 Cb 0.28 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.61 3hde h LYS 7 CO -0.23 1.05 0.01 0.00 -2.09 0.00 0.00 179.45 178.19 3hde h ALA 8 N 0.76 0.03 -0.87 0.07 0.00 -0.95 -1.23 119.26 117.07 3hde h ALA 8 Ca 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hde h ALA 8 Cb 0.87 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 3hde h ALA 8 CO 0.08 -0.37 0.51 0.28 0.00 0.00 0.00 179.25 179.75 3hde h VAL 9 N -0.15 1.25 -0.54 0.00 2.07 -0.99 -0.58 116.25 117.30 3hde h VAL 9 Ca 0.01 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 66.98 3hde h VAL 9 Cb 0.19 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 3hde h VAL 9 CO -0.00 0.26 0.35 0.00 0.02 0.00 0.00 177.57 178.20 3hde h ALA 10 N 1.28 0.69 -0.36 1.67 0.00 -1.20 -2.04 119.26 119.29 3hde h ALA 10 Ca 0.31 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 3hde h ALA 10 Cb -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3hde h ALA 10 CO -0.06 0.10 -0.02 0.00 0.00 0.00 0.00 179.25 179.27 3hde h ALA 11 N 1.21 1.30 0.00 0.00 0.00 -0.68 -2.96 119.26 118.14 3hde h ALA 11 Ca 0.20 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hde h ALA 11 Cb -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3hde h ALA 11 CO -0.06 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.66 3hde h ALA 12 N 1.45 1.00 -0.99 0.00 0.00 -0.45 -3.37 119.26 116.90 3hde h ALA 12 Ca 0.11 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.10 3hde h ALA 12 Cb 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 3hde h ALA 12 CO 0.01 0.00 0.63 0.82 0.00 0.00 0.00 179.25 180.71 3hde h ILE 13 N 0.00 1.05 0.00 0.00 2.04 -1.23 0.18 117.51 119.55 3hde h ILE 13 Ca 0.00 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.48 3hde h ILE 13 Cb 0.52 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 3hde h ILE 13 CO 0.00 0.20 0.00 0.61 0.00 0.00 0.00 178.15 178.96 3hde n GLY 14 N -1.36 -1.08 0.14 5.37 0.00 -1.26 -1.81 105.19 105.19 3hde n GLY 14 Ca 0.16 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.37 3hde n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hde n GLY 15 N -0.34 -0.90 2.14 -0.02 0.00 0.61 -5.05 105.19 101.62 3hde n GLY 15 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3hde n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hde n GLY 16 N 1.40 -2.52 0.35 -0.02 0.00 -0.75 -4.02 105.19 99.63 3hde n GLY 16 Ca 0.10 -1.74 0.01 0.00 0.00 0.00 0.00 46.02 44.39 3hde n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hde h ALA 17 N 0.00 1.28 -0.44 4.61 0.00 -1.88 -2.10 119.26 120.74 3hde h ALA 17 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3hde h ALA 17 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3hde h ALA 17 CO 0.00 0.38 0.05 0.97 0.00 0.00 0.00 179.25 180.65 3hde h ILE 18 N 1.09 1.25 -0.61 0.00 2.10 -1.91 0.35 117.51 119.78 3hde h ILE 18 Ca 0.40 -0.95 -0.09 0.00 1.08 0.00 0.00 64.86 65.30 3hde h ILE 18 Cb 0.14 1.01 -0.02 0.00 -1.09 0.00 0.00 36.82 36.86 3hde h ILE 18 CO -0.17 0.33 0.03 0.00 -1.08 0.00 0.00 178.15 177.26 3hde h ALA 19 N 0.93 0.90 0.05 0.18 0.00 -1.60 -0.06 119.26 119.66 3hde h ALA 19 Ca 0.13 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3hde h ALA 19 Cb 0.42 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hde h ALA 19 CO 0.01 0.66 -0.04 0.82 0.00 0.00 0.00 179.25 180.70 3hde h ILE 20 N 0.97 0.90 -0.97 0.00 2.04 -1.24 -1.58 117.51 117.63 3hde h ILE 20 Ca 0.18 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.09 3hde h ILE 20 Cb 0.51 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 37.43 3hde h ILE 20 CO 0.02 0.00 0.64 0.00 0.00 0.00 0.00 178.15 178.81 3hde h ALA 21 N 0.84 1.39 -0.74 1.87 0.00 -0.63 -1.83 119.26 120.17 3hde h ALA 21 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hde h ALA 21 Cb 0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3hde h ALA 21 CO -0.01 0.49 0.40 1.03 0.00 0.00 0.00 179.25 181.17 3hde h SER 22 N 1.19 0.92 -0.73 0.00 0.87 -0.71 -1.05 113.55 114.03 3hde h SER 22 Ca 0.40 -0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.87 3hde h SER 22 Cb 0.07 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.76 3hde h SER 22 CO -0.14 0.75 0.48 0.58 -0.53 0.00 0.00 176.83 177.98 3hde h VAL 23 N 1.01 1.19 -0.11 2.23 2.07 -0.50 0.09 116.25 122.24 3hde h VAL 23 Ca 0.26 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 3hde h VAL 23 Cb 0.04 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 3hde h VAL 23 CO -0.04 0.18 0.06 -0.07 0.02 0.00 0.00 177.57 177.72 3hde h LEU 24 N 0.99 0.14 -0.16 2.57 3.38 -0.88 0.21 115.31 121.57 3hde h LEU 24 Ca 0.27 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 3hde h LEU 24 Cb -0.11 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3hde h LEU 24 CO -0.06 0.21 -0.22 0.40 0.09 0.00 0.00 178.44 178.86 3hde h ILE 25 N 0.06 1.35 0.00 1.22 2.04 -1.03 -0.41 117.51 120.74 3hde h ILE 25 Ca 0.04 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.47 3hde h ILE 25 Cb 0.11 1.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 3hde h ILE 25 CO -0.01 0.43 -1.35 0.35 0.00 0.00 0.00 178.15 177.57 3hde n THR 26 N -4.46 0.14 0.00 -0.27 -2.24 0.00 -2.63 114.28 104.82 3hde n THR 26 Ca -0.06 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3hde n THR 26 Cb 0.42 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 3hde n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hde n GLY 27 N 1.33 -1.51 0.38 3.38 0.00 0.75 -1.28 105.19 108.24 3hde n GLY 27 Ca -0.00 -1.56 0.16 0.00 0.00 0.00 0.00 46.02 44.62 3hde n GLY 27 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hde h PRO 28 N 0.00 0.44 0.00 1.61 0.11 -1.77 -0.84 132.00 131.55 3hde h PRO 28 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3hde h PRO 28 Cb 0.00 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.01 3hde h PRO 28 CO 0.00 0.29 -0.32 -1.13 -0.21 0.00 0.00 178.00 176.62 3hde n SER 29 N -4.50 0.33 0.00 -2.05 3.41 -1.26 -4.91 113.62 104.64 3hde n SER 29 Ca 0.16 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 3hde n SER 29 Cb 0.56 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 3hde n SER 29 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hde n GLY 30 N 1.50 1.58 0.02 5.00 0.00 -0.32 -4.83 105.19 108.14 3hde n GLY 30 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3hde n GLY 30 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hde n ASN 31 N 0.00 1.16 -2.89 1.61 3.02 -0.97 -4.82 115.26 112.36 3hde n ASN 31 Ca 0.00 -1.65 -0.02 0.00 -0.03 0.00 0.00 54.58 52.88 3hde n ASN 31 Cb 0.00 -0.02 0.01 0.00 -0.61 0.00 0.00 39.78 39.15 3hde n ASN 31 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hde s ASP 32 N -0.68 -1.18 0.00 6.41 -1.08 -0.40 -4.98 116.67 114.76 3hde s ASP 32 Ca 0.01 -1.05 0.00 0.00 -0.52 0.00 0.00 52.55 50.99 3hde s ASP 32 Cb 0.01 1.53 0.00 0.00 -1.46 0.00 0.00 42.92 43.00 3hde s ASP 32 CO 0.00 -0.08 0.00 0.61 0.52 0.00 0.00 175.17 176.22 3hde n GLY 33 N 3.44 5.42 0.16 2.66 0.00 -1.12 -4.03 105.19 111.72 3hde n GLY 33 Ca 0.13 -1.72 -0.07 0.00 0.00 0.00 0.00 46.02 44.36 3hde n GLY 33 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hde h LEU 34 N 0.00 0.32 -9.84 0.99 3.38 -0.85 -3.44 115.31 105.87 3hde h LEU 34 Ca 0.00 -0.21 -0.63 0.00 0.09 0.00 0.00 57.88 57.14 3hde h LEU 34 Cb 0.00 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3hde h LEU 34 CO 0.00 0.91 -0.47 -0.70 0.09 0.00 0.00 178.44 178.27 3hde s GLU 35 N -3.61 3.47 1.06 1.13 2.56 -1.08 -5.05 118.70 117.18 3hde s GLU 35 Ca -0.04 -0.30 -0.17 0.00 0.00 0.00 0.00 54.97 54.46 3hde s GLU 35 Cb 0.11 -3.07 0.23 0.00 2.00 0.00 0.00 34.13 33.40 3hde s GLU 35 CO 0.81 0.64 1.18 0.20 -0.56 0.00 0.00 175.26 177.53 3hde s GLY 36 N -2.08 1.64 -0.14 -1.50 0.00 -1.26 -4.83 107.32 99.14 3hde s GLY 36 Ca 0.30 -0.91 -0.11 0.00 0.00 0.00 0.00 44.72 44.00 3hde s GLY 36 CO 0.21 -0.14 0.36 0.54 0.00 0.00 0.00 173.10 174.07 3hde s VAL 37 N -3.32 -0.01 -0.02 1.40 0.11 -1.26 -4.05 120.40 113.25 3hde s VAL 37 Ca 0.70 0.04 -0.04 0.00 -2.93 0.00 0.00 61.98 59.76 3hde s VAL 37 Cb -0.09 -0.52 0.00 0.00 -1.53 0.00 0.00 36.38 34.24 3hde s VAL 37 CO 0.55 0.02 0.08 -0.94 -3.33 0.00 0.00 175.10 171.48 3hde s SER 38 N 0.65 -0.01 0.00 3.54 1.04 -1.07 -4.97 113.70 112.88 3hde s SER 38 Ca -0.04 -0.03 0.22 0.00 0.48 0.00 0.00 55.95 56.59 3hde s SER 38 Cb -0.05 0.18 0.02 0.00 0.10 0.00 0.00 66.02 66.27 3hde s SER 38 CO -0.04 -0.17 1.08 -1.22 0.98 0.00 0.00 173.24 173.87 3hde n TYR 39 N 2.38 0.00 -4.81 5.02 4.01 -1.26 -0.07 117.16 122.43 3hde n TYR 39 Ca -0.17 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.24 3hde n TYR 39 Cb 0.58 -0.06 -0.14 0.00 -0.31 0.00 0.00 39.34 39.41 3hde n TYR 39 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3hde s ILE 40 N -2.87 3.03 0.54 -0.72 1.01 -1.26 0.11 121.20 121.03 3hde s ILE 40 Ca 0.12 -0.68 -0.22 0.00 0.00 0.00 0.00 60.65 59.86 3hde s ILE 40 Cb 0.17 -2.25 -0.05 0.00 0.01 0.00 0.00 42.46 40.34 3hde s ILE 40 CO 0.76 0.54 1.33 -2.84 0.00 0.00 0.00 174.94 174.73 3hde s PRO 41 N 0.13 3.20 0.10 2.79 0.02 -1.26 -4.86 135.00 135.11 3hde s PRO 41 Ca -0.07 2.17 -0.05 0.00 0.02 0.00 0.00 61.00 63.07 3hde s PRO 41 Cb -0.15 -2.26 -0.02 0.00 0.02 0.00 0.00 34.50 32.09 3hde s PRO 41 CO 0.05 -1.12 0.12 1.52 -0.33 0.00 0.00 177.00 177.24 3hde s TYR 42 N -1.34 0.42 -0.20 6.54 -0.85 0.30 -4.94 117.35 117.27 3hde s TYR 42 Ca 0.71 -0.87 -0.14 0.00 -0.52 0.00 0.00 57.07 56.25 3hde s TYR 42 Cb -0.39 -0.23 -0.04 0.00 0.38 0.00 0.00 41.96 41.68 3hde s TYR 42 CO 0.46 -0.52 0.32 0.21 -1.52 0.00 0.00 175.55 174.50 3hde s LYS 43 N -3.93 4.17 0.54 -3.49 2.20 -1.26 -0.21 119.74 117.75 3hde s LYS 43 Ca 0.11 0.07 -0.07 0.00 -0.36 0.00 0.00 55.97 55.72 3hde s LYS 43 Cb 0.06 -3.52 0.12 0.00 -1.51 0.00 0.00 37.83 32.98 3hde s LYS 43 CO -0.07 0.04 0.74 -0.40 -0.36 0.00 0.00 175.35 175.29 3hde n ASP 44 N 4.26 0.33 0.15 1.43 5.68 -0.23 -4.83 116.55 123.34 3hde n ASP 44 Ca -0.11 -1.43 0.12 0.00 -0.50 0.00 0.00 54.79 52.87 3hde n ASP 44 Cb 0.51 -0.54 0.52 0.00 -1.14 0.00 0.00 41.12 40.48 3hde n ASP 44 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hde n ILE 45 N -2.82 0.85 -0.86 2.12 3.06 -1.26 -0.50 119.36 119.95 3hde n ILE 45 Ca 0.10 0.32 0.08 0.00 -2.50 0.00 0.00 62.75 60.75 3hde n ILE 45 Cb 0.35 -1.28 0.38 0.00 0.54 0.00 0.00 39.64 39.64 3hde n ILE 45 CO 0.00 0.00 0.00 1.33 -2.50 0.00 0.00 176.55 175.38 3hde n VAL 46 N -2.29 2.56 -1.27 9.51 0.24 -1.26 -4.95 118.33 120.87 3hde n VAL 46 Ca 0.01 -1.42 -0.04 0.00 -2.04 0.00 0.00 64.34 60.86 3hde n VAL 46 Cb 0.20 -0.20 -0.01 0.00 -1.47 0.00 0.00 33.84 32.35 3hde n VAL 46 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hde n GLY 47 N 0.59 0.58 3.66 7.63 0.00 0.35 -5.03 105.19 112.98 3hde n GLY 47 Ca 0.27 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 3hde n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hde s VAL 48 N -2.14 4.95 0.22 1.61 1.01 -1.26 -4.78 120.40 120.02 3hde s VAL 48 Ca 0.00 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 3hde s VAL 48 Cb 0.00 -3.24 -0.09 0.00 0.00 0.00 0.00 36.38 33.05 3hde s VAL 48 CO 0.00 0.45 1.34 0.26 0.00 0.00 0.00 175.10 177.15 3hde s TRP 49 N 0.39 3.18 0.03 5.22 0.52 -1.26 -1.07 118.94 125.96 3hde s TRP 49 Ca 0.04 1.18 0.01 0.00 0.02 0.00 0.00 56.10 57.36 3hde s TRP 49 Cb -0.12 -3.66 -0.02 0.00 -1.15 0.00 0.00 33.47 28.51 3hde s TRP 49 CO -0.00 -2.08 -0.06 0.99 0.02 0.00 0.00 176.95 175.82 3hde s THR 50 N -0.01 0.37 0.21 2.01 2.01 0.70 -4.41 115.64 116.53 3hde s THR 50 Ca 0.57 -1.03 -0.18 0.00 0.31 0.00 0.00 61.69 61.36 3hde s THR 50 Cb -0.38 -0.49 0.02 0.00 0.01 0.00 0.00 72.50 71.66 3hde s THR 50 CO 0.40 -0.44 0.54 0.54 -0.69 0.00 0.00 174.62 174.98 3hde s VAL 51 N -1.46 0.02 0.00 3.82 0.11 -0.61 -0.54 120.40 121.73 3hde s VAL 51 Ca -0.12 -0.85 0.00 0.00 -2.93 0.00 0.00 61.98 58.08 3hde s VAL 51 Cb -0.10 -1.68 0.00 0.00 -1.53 0.00 0.00 36.38 33.08 3hde s VAL 51 CO -0.00 -0.09 0.00 0.00 -3.33 0.00 0.00 175.10 171.68 3hde n HIS 53 N 14.00 0.42 -0.88 0.00 8.25 -1.26 -2.58 115.22 133.17 3hde n HIS 53 Ca 0.00 -1.56 0.00 0.00 -0.26 0.00 0.00 57.72 55.90 3hde n HIS 53 Cb 0.00 -1.39 0.00 0.00 1.12 0.00 0.00 29.99 29.72 3hde n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hde n GLY 54 N 1.92 0.48 3.78 -1.41 0.00 -1.12 -4.90 105.19 103.94 3hde n GLY 54 Ca 0.39 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 3hde n GLY 54 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3hde s HIS 55 N -2.00 2.65 0.07 1.61 5.65 0.48 -4.77 115.29 118.98 3hde s HIS 55 Ca 0.00 1.19 0.04 0.00 0.25 0.00 0.00 55.06 56.54 3hde s HIS 55 Cb 0.00 -3.98 -0.03 0.00 -1.18 0.00 0.00 32.58 27.39 3hde s HIS 55 CO 0.00 -2.86 -0.11 0.95 -0.65 0.00 0.00 174.74 172.07 3hde s THR 56 N -1.10 0.87 -4.43 0.89 -4.23 -1.26 -1.58 115.64 104.80 3hde s THR 56 Ca 0.52 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 3hde s THR 56 Cb -0.46 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 72.40 3hde s THR 56 CO 0.62 -0.37 0.00 0.61 -0.54 0.00 0.00 174.62 174.94 3hde n GLY 57 N 1.16 -1.98 0.45 3.99 0.00 -1.26 -4.94 105.19 102.60 3hde n GLY 57 Ca -0.20 -1.23 0.10 0.00 0.00 0.00 0.00 46.02 44.69 3hde n GLY 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hde n LYS 58 N -0.39 1.59 -0.49 1.61 5.02 -1.26 -4.01 118.16 120.22 3hde n LYS 58 Ca 0.00 -0.88 0.07 0.00 -2.02 0.00 0.00 58.31 55.48 3hde n LYS 58 Cb 0.00 -1.37 0.25 0.00 -0.02 0.00 0.00 35.03 33.90 3hde n LYS 58 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3hde n ASP 59 N 0.11 3.76 -4.59 4.39 5.75 -1.26 -4.95 116.55 119.75 3hde n ASP 59 Ca 0.15 -3.10 -0.40 0.00 -0.01 0.00 0.00 54.79 51.43 3hde n ASP 59 Cb 0.28 -0.56 -0.08 0.00 -1.03 0.00 0.00 41.12 39.73 3hde n ASP 59 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3hde s ILE 60 N -2.88 5.05 -0.54 2.12 1.01 -1.26 -5.02 121.20 119.68 3hde s ILE 60 Ca 0.43 0.67 -0.24 0.00 0.00 0.00 0.00 60.65 61.51 3hde s ILE 60 Cb 0.35 -3.88 0.04 0.00 0.01 0.00 0.00 42.46 38.98 3hde s ILE 60 CO 0.08 -0.03 0.93 -0.04 0.00 0.00 0.00 174.94 175.88 3hde s MET 61 N 2.35 3.34 0.44 2.79 -1.94 -1.26 -4.94 119.30 120.08 3hde s MET 61 Ca 0.20 -0.25 0.21 0.00 -1.71 0.00 0.00 55.69 54.14 3hde s MET 61 Cb -0.15 -4.04 1.18 0.00 2.01 0.00 0.00 34.83 33.82 3hde s MET 61 CO 0.11 -1.45 1.84 -0.07 -0.01 0.00 0.00 175.02 175.44 3hde h LEU 62 N 10.88 0.33 -1.69 -0.03 3.38 -1.98 -2.00 115.31 124.20 3hde h LEU 62 Ca -0.26 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3hde h LEU 62 Cb 1.07 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3hde h LEU 62 CO 1.08 0.11 0.00 0.61 0.09 0.00 0.00 178.44 180.33 3hde n GLY 63 N -1.55 1.05 3.84 0.83 0.00 -1.26 -4.57 105.19 103.53 3hde n GLY 63 Ca 0.21 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 3hde n GLY 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hde s LYS 64 N -1.53 3.76 -0.37 1.61 2.20 -0.75 -5.06 119.74 119.59 3hde s LYS 64 Ca 0.34 0.13 -0.17 0.00 -0.36 0.00 0.00 55.97 55.90 3hde s LYS 64 Cb 0.19 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 33.27 3hde s LYS 64 CO 0.26 0.66 0.46 0.99 -0.36 0.00 0.00 175.35 177.36 3hde s THR 65 N -0.82 5.06 0.36 3.43 2.01 -1.26 -4.38 115.64 120.04 3hde s THR 65 Ca 0.19 0.05 -0.22 0.00 0.31 0.00 0.00 61.69 62.02 3hde s THR 65 Cb -0.14 -3.96 -0.10 0.00 0.01 0.00 0.00 72.50 68.31 3hde s THR 65 CO 0.08 -0.27 0.89 -0.31 -0.69 0.00 0.00 174.62 174.32 3hde s TYR 66 N 2.25 3.48 0.32 4.92 2.02 0.12 -5.02 117.35 125.43 3hde s TYR 66 Ca 0.15 1.59 -0.03 0.00 -0.37 0.00 0.00 57.07 58.41 3hde s TYR 66 Cb -0.16 -2.80 -0.04 0.00 -0.40 0.00 0.00 41.96 38.55 3hde s TYR 66 CO 0.13 0.07 0.56 0.95 -1.57 0.00 0.00 175.55 175.69 3hde s THR 67 N -1.90 5.06 0.25 -0.71 -4.23 -1.26 -4.75 115.64 108.10 3hde s THR 67 Ca 0.55 -0.15 -0.05 0.00 -1.18 0.00 0.00 61.69 60.86 3hde s THR 67 Cb -0.13 -3.79 0.26 0.00 1.34 0.00 0.00 72.50 70.18 3hde s THR 67 CO 0.18 -0.44 1.66 0.11 -0.54 0.00 0.00 174.62 175.59 3hde h LYS 68 N 1.26 0.19 -0.60 3.99 1.57 -1.99 0.42 116.57 121.41 3hde h LYS 68 Ca -0.48 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.29 3hde h LYS 68 Cb 1.20 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 3hde h LYS 68 CO 0.64 0.12 0.40 0.00 -0.57 0.00 0.00 179.45 180.04 3hde h ALA 69 N 1.68 0.77 -0.65 3.86 0.00 -2.00 -0.94 119.26 121.97 3hde h ALA 69 Ca 0.44 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.26 3hde h ALA 69 Cb 0.78 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3hde h ALA 69 CO -0.59 0.18 0.22 0.93 0.00 0.00 0.00 179.25 179.99 3hde h GLU 70 N 0.80 0.98 -0.55 0.00 5.08 -1.60 -2.36 114.58 116.93 3hde h GLU 70 Ca 0.22 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 3hde h GLU 70 Cb -0.08 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 3hde h GLU 70 CO -0.06 0.83 -0.09 0.00 -1.00 0.00 0.00 179.01 178.69 3hde h LYS 72 N 0.92 0.79 -0.89 0.00 3.64 -1.08 -1.81 116.57 118.14 3hde h LYS 72 Ca 0.15 -0.38 0.07 0.00 -1.27 0.00 0.00 60.65 59.22 3hde h LYS 72 Cb 0.66 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.41 3hde h LYS 72 CO 0.05 1.00 0.58 0.00 -2.27 0.00 0.00 179.45 178.81 3hde h ALA 73 N 0.77 1.56 -0.22 5.00 0.00 -1.36 -0.85 119.26 124.15 3hde h ALA 73 Ca 0.07 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 3hde h ALA 73 Cb 0.81 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hde h ALA 73 CO 0.07 0.30 -0.60 -0.07 0.00 0.00 0.00 179.25 178.95 3hde h LEU 74 N 0.97 0.90 -0.96 0.00 3.38 -1.20 -2.91 115.31 115.49 3hde h LEU 74 Ca 0.39 -0.58 0.01 0.00 0.09 0.00 0.00 57.88 57.79 3hde h LEU 74 Cb 0.25 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3hde h LEU 74 CO -0.15 1.32 0.62 0.25 0.09 0.00 0.00 178.44 180.57 3hde h LEU 75 N 0.53 1.12 -0.03 1.67 5.85 -0.96 -1.48 115.31 122.01 3hde h LEU 75 Ca -0.01 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.69 3hde h LEU 75 Cb 1.22 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 3hde h LEU 75 CO 0.13 0.82 -0.13 -1.13 -0.34 0.00 0.00 178.44 177.79 3hde h ASN 76 N 1.31 -0.38 -0.86 1.25 -1.24 -1.04 0.25 115.58 114.88 3hde h ASN 76 Ca 0.35 0.06 0.02 0.00 0.71 0.00 0.00 56.30 57.44 3hde h ASN 76 Cb -0.13 0.17 -0.05 0.00 0.73 0.00 0.00 38.32 39.04 3hde h ASN 76 CO -0.07 -0.18 0.57 0.11 -1.29 0.00 0.00 177.43 176.57 3hde h LYS 77 N -0.20 1.11 -0.35 6.67 1.57 -1.32 -2.15 116.57 121.89 3hde h LYS 77 Ca 0.05 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 3hde h LYS 77 Cb 0.28 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3hde h LYS 77 CO -0.15 0.74 -0.24 -0.44 -0.57 0.00 0.00 179.45 178.80 3hde h ASP 78 N 1.15 0.71 -0.35 0.86 3.32 -0.58 -1.30 116.42 120.23 3hde h ASP 78 Ca 0.32 -0.26 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 3hde h ASP 78 Cb -0.10 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 3hde h ASP 78 CO -0.08 0.93 -0.11 -0.07 -1.72 0.00 0.00 179.24 178.19 3hde h LEU 79 N 0.61 0.78 -1.02 1.55 3.38 -0.27 -0.27 115.31 120.07 3hde h LEU 79 Ca 0.08 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 3hde h LEU 79 Cb 0.73 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3hde h LEU 79 CO 0.06 0.91 -0.05 0.00 0.09 0.00 0.00 178.44 179.45 3hde h ALA 80 N 1.16 1.19 -0.27 1.53 0.00 -1.08 -1.07 119.26 120.72 3hde h ALA 80 Ca 0.12 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3hde h ALA 80 Cb 0.59 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3hde h ALA 80 CO 0.04 0.52 0.07 1.15 0.00 0.00 0.00 179.25 181.03 3hde h THR 81 N 0.60 1.21 -0.37 0.00 2.02 -0.78 -0.85 112.91 114.75 3hde h THR 81 Ca 0.12 -0.71 0.04 0.00 0.77 0.00 0.00 66.41 66.63 3hde h THR 81 Cb 0.45 1.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 3hde h THR 81 CO 0.02 0.23 0.14 0.58 0.37 0.00 0.00 175.52 176.86 3hde h VAL 82 N 0.27 0.90 -0.34 3.16 2.07 -0.72 -0.67 116.25 120.93 3hde h VAL 82 Ca 0.09 -0.10 0.05 0.00 0.82 0.00 0.00 66.70 67.55 3hde h VAL 82 Cb 0.29 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 3hde h VAL 82 CO 0.00 0.05 0.08 0.00 0.02 0.00 0.00 177.57 177.72 3hde h ALA 83 N 1.23 0.36 -0.91 1.67 0.00 -1.01 -0.31 119.26 120.29 3hde h ALA 83 Ca 0.17 0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.25 3hde h ALA 83 Cb 0.14 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 3hde h ALA 83 CO -0.17 -0.33 0.58 0.00 0.00 0.00 0.00 179.25 179.34 3hde h ARG 84 N 0.20 0.81 -0.21 0.00 3.08 -0.76 -1.00 114.38 116.50 3hde h ARG 84 Ca 0.16 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.99 3hde h ARG 84 Cb 0.17 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 3hde h ARG 84 CO -0.20 0.54 -0.56 1.96 -1.07 0.00 0.00 179.97 180.64 3hde h GLN 85 N 0.83 0.65 0.00 0.04 4.20 0.48 -3.39 115.11 117.93 3hde h GLN 85 Ca 0.44 -0.42 -0.18 0.00 0.06 0.00 0.00 58.65 58.55 3hde h GLN 85 Cb 0.52 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.32 3hde h GLN 85 CO -0.20 1.04 -1.78 0.44 -0.67 0.00 0.00 178.83 177.66 3hde n ILE 86 N -3.97 0.67 -0.32 2.54 -5.35 -0.74 -4.68 119.36 107.51 3hde n ILE 86 Ca -0.04 -0.47 0.04 0.00 -0.27 0.00 0.00 62.75 62.02 3hde n ILE 86 Cb 0.62 -0.52 0.19 0.00 -1.74 0.00 0.00 39.64 38.19 3hde n ILE 86 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 3hde h ASN 87 N 0.00 0.80 0.32 7.28 2.35 -1.37 -0.40 115.58 124.56 3hde h ASN 87 Ca -0.26 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 3hde h ASN 87 Cb 1.52 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.77 3hde h ASN 87 CO 0.01 0.46 0.00 -2.65 -1.65 0.00 0.00 177.43 173.60 3hde n PRO 88 N -4.67 0.11 0.00 0.81 -0.02 -1.26 -1.65 135.00 128.32 3hde n PRO 88 Ca 0.15 0.48 0.11 0.00 -2.02 0.00 0.00 63.50 62.22 3hde n PRO 88 Cb 0.28 -1.78 -0.00 0.00 -0.02 0.00 0.00 33.50 31.98 3hde n PRO 88 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hde n TYR 89 N -2.00 0.03 -3.50 6.00 4.01 -0.17 -4.79 117.16 116.73 3hde n TYR 89 Ca 0.01 0.01 -0.41 0.00 -0.16 0.00 0.00 57.90 57.34 3hde n TYR 89 Cb 0.11 -0.13 -0.10 0.00 -0.31 0.00 0.00 39.34 38.91 3hde n TYR 89 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3hde s ILE 90 N -3.04 5.27 -0.87 -0.72 1.01 -0.66 -4.95 121.20 117.25 3hde s ILE 90 Ca 0.08 -0.33 0.20 0.00 0.00 0.00 0.00 60.65 60.59 3hde s ILE 90 Cb 0.16 -3.78 -0.22 0.00 0.01 0.00 0.00 42.46 38.63 3hde s ILE 90 CO 0.82 -0.10 0.81 0.29 0.00 0.00 0.00 174.94 176.75 3hde n LYS 91 N 5.14 0.49 -4.31 2.79 4.76 -1.26 -4.95 118.16 120.83 3hde n LYS 91 Ca -0.12 -0.01 -0.24 0.00 -2.87 0.00 0.00 58.31 55.07 3hde n LYS 91 Cb 0.49 -1.43 -0.08 0.00 -1.84 0.00 0.00 35.03 32.17 3hde n LYS 91 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3hde s VAL 92 N -2.90 3.34 0.24 -0.18 -7.23 -1.26 -5.08 120.40 107.33 3hde s VAL 92 Ca 0.06 -1.91 -0.30 0.00 -1.81 0.00 0.00 61.98 58.03 3hde s VAL 92 Cb 0.15 -2.77 -0.09 0.00 0.56 0.00 0.00 36.38 34.23 3hde s VAL 92 CO 0.81 -0.34 1.13 -1.81 -0.31 0.00 0.00 175.10 174.59 3hde s ASP 93 N -3.53 7.20 0.08 4.85 1.01 -1.26 -5.04 116.67 119.98 3hde s ASP 93 Ca 0.30 2.25 0.02 0.00 0.71 0.00 0.00 52.55 55.84 3hde s ASP 93 Cb -0.07 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 3hde s ASP 93 CO 0.19 -0.23 -0.08 0.27 0.21 0.00 0.00 175.17 175.54 3hde s ILE 94 N -0.76 0.71 0.77 0.77 -4.36 -1.26 -5.13 121.20 111.94 3hde s ILE 94 Ca 0.47 -1.62 -0.11 0.00 -0.26 0.00 0.00 60.65 59.13 3hde s ILE 94 Cb -0.32 -1.30 0.06 0.00 1.25 0.00 0.00 42.46 42.15 3hde s ILE 94 CO 0.40 -0.66 1.11 -2.84 0.24 0.00 0.00 174.94 173.18 3hde s PRO 95 N -2.95 2.16 0.23 0.37 0.02 -1.26 -4.82 135.00 128.74 3hde s PRO 95 Ca 0.04 1.29 -0.08 0.00 0.02 0.00 0.00 61.00 62.27 3hde s PRO 95 Cb -0.01 -1.88 0.20 0.00 0.02 0.00 0.00 34.50 32.83 3hde s PRO 95 CO -0.02 -1.73 1.87 0.93 -0.33 0.00 0.00 177.00 177.71 3hde h GLU 96 N -1.01 1.18 -0.53 5.54 4.39 -1.97 -1.26 114.58 120.93 3hde h GLU 96 Ca -0.44 -0.11 0.05 0.00 0.34 0.00 0.00 59.36 59.20 3hde h GLU 96 Cb 1.24 -0.25 -0.05 0.00 -0.10 0.00 0.00 28.75 29.60 3hde h GLU 96 CO 0.50 0.83 0.26 1.79 -1.16 0.00 0.00 179.01 181.23 3hde h THR 97 N 1.19 0.94 -0.74 1.13 1.35 -1.91 0.18 112.91 115.05 3hde h THR 97 Ca 0.31 -0.17 -0.05 0.00 -0.55 0.00 0.00 66.41 65.95 3hde h THR 97 Cb -0.04 0.39 -0.03 0.00 -1.73 0.00 0.00 68.15 66.73 3hde h THR 97 CO -0.06 0.09 0.26 -0.03 -0.25 0.00 0.00 175.52 175.53 3hde h MET 98 N 0.50 1.14 -0.27 4.72 1.85 -1.54 -1.30 114.93 120.03 3hde h MET 98 Ca 0.24 -0.23 -0.14 0.00 -0.61 0.00 0.00 59.70 58.96 3hde h MET 98 Cb 0.16 -0.17 -0.01 0.00 0.43 0.00 0.00 31.60 32.01 3hde h MET 98 CO -0.17 0.95 -0.40 -0.09 -0.40 0.00 0.00 176.91 176.79 3hde h ARG 99 N 1.09 0.65 -0.75 0.39 2.43 -0.64 -1.75 114.38 115.79 3hde h ARG 99 Ca 0.24 -0.33 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 3hde h ARG 99 Cb 0.27 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 3hde h ARG 99 CO -0.01 0.94 0.40 0.78 -1.51 0.00 0.00 179.97 180.57 3hde h GLY 100 N 1.00 1.13 1.22 2.80 0.00 -0.48 -0.96 103.07 107.77 3hde h GLY 100 Ca 0.04 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 3hde h GLY 100 CO 0.08 0.50 0.29 0.00 0.00 0.00 0.00 176.54 177.41 3hde h ALA 101 N 1.21 1.22 -0.24 3.60 0.00 -1.04 -2.34 119.26 121.67 3hde h ALA 101 Ca 0.26 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3hde h ALA 101 Cb 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3hde h ALA 101 CO -0.04 0.58 -0.30 -0.07 0.00 0.00 0.00 179.25 179.42 3hde h LEU 102 N 0.98 0.50 -0.14 0.00 3.38 -0.75 -1.34 115.31 117.93 3hde h LEU 102 Ca 0.23 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hde h LEU 102 Cb 0.16 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3hde h LEU 102 CO -0.02 0.78 0.07 1.88 0.09 0.00 0.00 178.44 181.23 3hde h TYR 103 N 0.42 0.21 -0.54 1.13 0.05 -0.75 0.22 116.97 117.71 3hde h TYR 103 Ca 0.06 -0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.88 3hde h TYR 103 Cb 0.74 -0.06 -0.05 0.00 1.01 0.00 0.00 36.73 38.36 3hde h TYR 103 CO 0.02 0.24 0.27 1.03 -1.05 0.00 0.00 178.16 178.68 3hde h SER 104 N 0.11 0.38 0.17 3.88 0.87 -1.28 0.42 113.55 118.09 3hde h SER 104 Ca 0.05 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3hde h SER 104 Cb 0.11 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 3hde h SER 104 CO -0.01 0.26 -0.14 0.15 -0.53 0.00 0.00 176.83 176.56 3hde h PHE 105 N 0.51 -0.37 -0.01 2.24 3.57 -1.01 -2.15 116.94 119.73 3hde h PHE 105 Ca 0.24 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 3hde h PHE 105 Cb 0.16 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 3hde h PHE 105 CO -0.11 -0.22 -0.30 0.28 -2.23 0.00 0.00 178.31 175.73 3hde h VAL 106 N -0.33 1.22 -0.40 1.41 2.07 -0.73 0.15 116.25 119.65 3hde h VAL 106 Ca -0.00 -1.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 3hde h VAL 106 Cb 0.30 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 3hde h VAL 106 CO -0.02 0.30 0.06 0.22 0.02 0.00 0.00 177.57 178.15 3hde h TYR 107 N 0.01 0.62 0.00 1.57 3.20 0.13 0.15 116.97 122.65 3hde h TYR 107 Ca -0.00 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 3hde h TYR 107 Cb 0.55 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.64 3hde h TYR 107 CO 0.00 0.56 -0.03 -0.97 -1.64 0.00 0.00 178.16 176.08 3hde h ASN 108 N 0.58 0.02 -0.01 -2.11 -1.24 -0.53 -3.40 115.58 108.90 3hde h ASN 108 Ca 0.13 -0.86 0.00 0.00 0.71 0.00 0.00 56.30 56.28 3hde h ASN 108 Cb 0.29 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.33 3hde h ASN 108 CO 0.00 0.88 -0.51 1.33 -1.29 0.00 0.00 177.43 177.84 3hde n VAL 109 N -4.66 0.00 0.00 2.57 0.24 0.41 -5.08 118.33 111.81 3hde n VAL 109 Ca -0.10 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 3hde n VAL 109 Cb 0.43 1.18 0.00 0.00 -1.47 0.00 0.00 33.84 33.98 3hde n VAL 109 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hde n GLY 110 N 1.32 -0.99 0.20 7.63 0.00 0.51 -4.35 105.19 109.51 3hde n GLY 110 Ca 0.07 -1.44 0.02 0.00 0.00 0.00 0.00 46.02 44.67 3hde n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hde h ALA 111 N 0.00 1.42 -0.13 4.61 0.00 -1.98 -2.80 119.26 120.38 3hde h ALA 111 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3hde h ALA 111 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3hde h ALA 111 CO 0.00 0.43 0.08 0.78 0.00 0.00 0.00 179.25 180.54 3hde h GLY 112 N 1.00 0.19 2.00 0.00 0.00 -1.97 0.28 103.07 104.57 3hde h GLY 112 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 3hde h GLY 112 CO 0.04 0.06 -0.15 3.43 0.00 0.00 0.00 176.54 179.93 3hde h ASN 113 N 0.17 0.00 -0.07 0.19 2.35 -1.71 -2.94 115.58 113.57 3hde h ASN 113 Ca 0.05 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.70 3hde h ASN 113 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 3hde h ASN 113 CO -0.02 0.15 -0.35 0.15 -1.65 0.00 0.00 177.43 175.71 3hde h PHE 114 N 0.00 0.50 0.00 1.19 3.57 -1.18 -3.02 116.94 118.00 3hde h PHE 114 Ca -0.00 -0.22 -0.02 0.00 3.53 0.00 0.00 57.97 61.26 3hde h PHE 114 Cb 0.26 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 3hde h PHE 114 CO 0.00 0.96 -0.11 0.00 -2.23 0.00 0.00 178.31 176.93 3hde h ARG 115 N -0.11 0.00 -0.57 1.11 3.08 -0.78 -2.31 114.38 114.80 3hde h ARG 115 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3hde h ARG 115 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.05 3hde h ARG 115 CO 0.07 0.11 0.00 0.25 -1.07 0.00 0.00 179.97 179.34 3hde n THR 116 N -3.99 1.00 -2.70 2.04 -2.24 -1.17 -4.94 114.28 102.29 3hde n THR 116 Ca -0.02 -1.00 -0.33 0.00 -2.27 0.00 0.00 64.05 60.43 3hde n THR 116 Cb 0.20 0.50 -0.06 0.00 -2.10 0.00 0.00 70.33 68.88 3hde n THR 116 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hde s SER 117 N -1.00 6.74 0.50 3.42 1.04 -0.87 -4.92 113.70 118.62 3hde s SER 117 Ca 0.38 1.74 0.21 0.00 0.48 0.00 0.00 55.95 58.75 3hde s SER 117 Cb 0.20 -2.54 1.29 0.00 0.10 0.00 0.00 66.02 65.07 3hde s SER 117 CO 0.26 -0.50 2.07 0.74 0.98 0.00 0.00 173.24 176.79 3hde h THR 118 N 1.70 0.85 -0.18 2.02 2.02 -1.90 -2.60 112.91 114.81 3hde h THR 118 Ca -0.49 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 66.24 3hde h THR 118 Cb 1.19 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 3hde h THR 118 CO 0.60 0.12 0.10 0.25 0.37 0.00 0.00 175.52 176.96 3hde h LEU 119 N 0.00 0.16 -0.63 2.58 6.46 -1.91 -1.36 115.31 120.61 3hde h LEU 119 Ca -0.00 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.64 3hde h LEU 119 Cb 0.25 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.14 3hde h LEU 119 CO 0.02 0.12 -0.18 0.25 -0.62 0.00 0.00 178.44 178.02 3hde h LEU 120 N 0.21 0.90 -0.33 2.25 5.85 -1.72 -2.21 115.31 120.26 3hde h LEU 120 Ca 0.07 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.53 3hde h LEU 120 Cb -0.00 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 3hde h LEU 120 CO -0.04 1.06 0.01 -0.09 -0.34 0.00 0.00 178.44 179.05 3hde h ARG 121 N 0.78 0.10 -0.61 1.25 2.43 -1.14 -2.32 114.38 114.87 3hde h ARG 121 Ca 0.11 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 3hde h ARG 121 Cb 0.72 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 3hde h ARG 121 CO 0.06 0.07 0.31 0.87 -1.51 0.00 0.00 179.97 179.76 3hde h LYS 122 N 0.11 0.87 -0.20 0.20 1.57 -1.11 -2.85 116.57 115.16 3hde h LYS 122 Ca 0.16 -0.12 0.06 0.00 -1.87 0.00 0.00 60.65 58.87 3hde h LYS 122 Cb 0.21 -0.16 -0.07 0.00 0.08 0.00 0.00 32.23 32.28 3hde h LYS 122 CO -0.25 0.69 -0.32 0.82 -0.57 0.00 0.00 179.45 179.82 3hde h ILE 123 N 0.84 0.28 0.00 1.86 2.04 -0.97 -0.86 117.51 120.68 3hde h ILE 123 Ca 0.21 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.07 3hde h ILE 123 Cb 0.09 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3hde h ILE 123 CO -0.03 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.71 3hde n ASN 124 N -5.41 0.00 -1.29 1.72 3.02 -0.91 -0.63 115.26 111.75 3hde n ASN 124 Ca -0.02 0.47 0.12 0.00 -0.03 0.00 0.00 54.58 55.12 3hde n ASN 124 Cb 0.33 -0.49 0.29 0.00 -0.61 0.00 0.00 39.78 39.30 3hde n ASN 124 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hde n GLN 125 N -1.49 2.66 -0.63 3.52 10.64 -0.95 -4.87 117.38 126.26 3hde n GLN 125 Ca 0.04 -2.55 0.00 0.00 -1.83 0.00 0.00 57.00 52.66 3hde n GLN 125 Cb 0.19 -1.55 0.00 0.00 -0.86 0.00 0.00 30.24 28.02 3hde n GLN 125 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3hde n GLY 126 N 1.61 0.88 2.68 2.61 0.00 0.19 -4.96 105.19 108.20 3hde n GLY 126 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 3hde n GLY 126 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hde n ASP 127 N 0.00 5.18 -0.15 1.61 2.03 -0.37 -4.75 116.55 120.09 3hde n ASP 127 Ca 0.00 -2.88 -0.05 0.00 0.52 0.00 0.00 54.79 52.39 3hde n ASP 127 Cb 0.00 -1.59 0.04 0.00 -0.72 0.00 0.00 41.12 38.85 3hde n ASP 127 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3hde h ILE 128 N 3.70 0.94 -0.12 5.18 5.03 -1.84 -0.64 117.51 129.75 3hde h ILE 128 Ca 0.59 -0.15 -0.07 0.00 -0.12 0.00 0.00 64.86 65.11 3hde h ILE 128 Cb 0.56 0.47 -0.01 0.00 -3.03 0.00 0.00 36.82 34.81 3hde h ILE 128 CO 1.79 0.08 -0.23 0.11 -0.68 0.00 0.00 178.15 179.22 3hde h LYS 129 N 0.43 0.21 -0.26 2.37 6.56 -1.96 -1.98 116.57 121.93 3hde h LYS 129 Ca 0.20 -0.07 -0.19 0.00 -1.06 0.00 0.00 60.65 59.54 3hde h LYS 129 Cb 0.13 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.77 3hde h LYS 129 CO -0.16 0.44 -0.58 0.78 -2.06 0.00 0.00 179.45 177.87 3hde h GLY 130 N 0.91 0.93 0.33 3.86 0.00 -1.79 -2.80 103.07 104.50 3hde h GLY 130 Ca 0.03 -1.11 0.01 0.00 0.00 0.00 0.00 47.33 46.26 3hde h GLY 130 CO 0.04 1.00 -0.46 0.00 0.00 0.00 0.00 176.54 177.11 3hde h ALA 131 N 0.69 -0.90 -0.88 3.60 0.00 -0.63 -2.26 119.26 118.88 3hde h ALA 131 Ca 0.00 -0.12 0.20 0.00 0.00 0.00 0.00 54.91 55.00 3hde h ALA 131 Cb 1.19 0.74 -0.12 0.00 0.00 0.00 0.00 17.79 19.61 3hde h ALA 131 CO 0.13 -1.07 0.39 0.00 0.00 0.00 0.00 179.25 178.70 3hde h ASP 133 N 0.44 0.44 -0.36 0.00 3.32 -1.21 -2.60 116.42 116.45 3hde h ASP 133 Ca 0.53 -0.09 0.10 0.00 0.02 0.00 0.00 57.03 57.59 3hde h ASP 133 Cb 0.96 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 3hde h ASP 133 CO -0.49 0.54 0.41 1.56 -1.72 0.00 0.00 179.24 179.54 3hde h GLN 134 N 0.44 0.00 -0.73 3.56 1.08 -0.41 -1.99 115.11 117.06 3hde h GLN 134 Ca 0.09 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.36 3hde h GLN 134 Cb 0.37 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.75 3hde h GLN 134 CO 0.02 0.00 0.48 -0.07 -0.95 0.00 0.00 178.83 178.30 3hde h LEU 135 N 0.00 0.64 -1.47 1.46 3.38 -1.51 -1.01 115.31 116.81 3hde h LEU 135 Ca 0.17 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3hde h LEU 135 Cb 0.99 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3hde h LEU 135 CO -0.00 0.41 0.00 0.03 0.09 0.00 0.00 178.44 178.97 3hde h ARG 136 N 0.73 0.00 -0.00 1.13 3.08 -1.57 -1.20 114.38 116.55 3hde h ARG 136 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 3hde h ARG 136 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3hde h ARG 136 CO -0.11 0.00 -0.02 0.54 -1.07 0.00 0.00 179.97 179.31 3hde n ARG 137 N -2.44 1.03 -2.46 0.04 1.74 -0.38 -4.28 116.66 109.90 3hde n ARG 137 Ca -0.01 -0.26 -0.34 0.00 -0.77 0.00 0.00 57.85 56.47 3hde n ARG 137 Cb 0.11 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.07 3hde n ARG 137 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3hde n TRP 138 N -0.76 3.28 -0.04 -1.55 7.02 -0.45 -4.55 117.44 120.39 3hde n TRP 138 Ca 0.20 -2.95 0.00 0.00 -1.02 0.00 0.00 57.50 53.74 3hde n TRP 138 Cb 0.21 -0.76 0.01 0.00 -2.42 0.00 0.00 31.31 28.35 3hde n TRP 138 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 3hde n THR 139 N -0.34 1.03 -4.67 -0.99 -2.24 -1.26 -4.89 114.28 100.92 3hde n THR 139 Ca 0.43 -1.04 -0.33 0.00 -2.27 0.00 0.00 64.05 60.84 3hde n THR 139 Cb 0.38 0.48 -0.12 0.00 -2.10 0.00 0.00 70.33 68.96 3hde n THR 139 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3hde s TYR 140 N -1.06 2.89 -0.26 4.78 2.02 -1.26 -1.46 117.35 123.00 3hde s TYR 140 Ca 0.02 -0.16 -0.24 0.00 -0.37 0.00 0.00 57.07 56.31 3hde s TYR 140 Cb 0.01 -1.75 0.07 0.00 -0.40 0.00 0.00 41.96 39.88 3hde s TYR 140 CO 0.00 0.16 0.69 0.00 -1.57 0.00 0.00 175.55 174.84 3hde s ALA 141 N -0.43 -1.71 -1.51 3.71 0.00 -0.74 -4.93 121.76 116.14 3hde s ALA 141 Ca 0.06 1.95 0.00 0.00 0.00 0.00 0.00 51.96 53.97 3hde s ALA 141 Cb -0.12 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.86 3hde s ALA 141 CO 0.02 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.86 3hde n GLY 142 N 2.74 -0.21 2.03 0.00 0.00 -1.26 -2.90 105.19 105.60 3hde n GLY 142 Ca -0.14 -0.16 -0.00 0.00 0.00 0.00 0.00 46.02 45.72 3hde n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hde n GLY 143 N -1.00 0.47 3.22 -0.02 0.00 -1.26 -5.01 105.19 101.58 3hde n GLY 143 Ca -0.20 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 3hde n GLY 143 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hde s LYS 144 N -0.74 0.90 0.17 1.61 -2.85 -1.14 -5.15 119.74 112.54 3hde s LYS 144 Ca 0.00 -1.12 -0.21 0.00 -1.00 0.00 0.00 55.97 53.64 3hde s LYS 144 Cb 0.00 0.32 -0.08 0.00 -2.06 0.00 0.00 37.83 36.01 3hde s LYS 144 CO 0.00 -0.28 0.71 -1.14 0.10 0.00 0.00 175.35 174.73 3hde s GLN 145 N -3.92 4.34 -0.20 1.78 0.74 -1.26 -1.80 119.66 119.34 3hde s GLN 145 Ca 0.11 0.93 -0.01 0.00 0.05 0.00 0.00 55.36 56.44 3hde s GLN 145 Cb 0.05 -3.09 0.01 0.00 1.10 0.00 0.00 33.01 31.08 3hde s GLN 145 CO -0.06 0.51 -0.12 -1.58 -0.55 0.00 0.00 175.29 173.49 3hde s TRP 146 N -1.31 2.87 0.42 1.67 0.52 -0.53 -4.99 118.94 117.59 3hde s TRP 146 Ca 0.37 -1.28 0.12 0.00 0.02 0.00 0.00 56.10 55.34 3hde s TRP 146 Cb -0.19 -2.01 0.99 0.00 -1.15 0.00 0.00 33.47 31.10 3hde s TRP 146 CO 0.22 -0.67 1.98 1.57 0.02 0.00 0.00 176.95 180.07 3hde h LYS 147 N 8.00 0.44 -0.50 4.98 -0.00 -1.97 -0.21 116.57 127.32 3hde h LYS 147 Ca -0.43 -0.03 -0.07 0.00 -0.00 0.00 0.00 60.65 60.12 3hde h LYS 147 Cb 1.15 -0.10 -0.02 0.00 -0.00 0.00 0.00 32.23 33.26 3hde h LYS 147 CO 0.62 0.29 0.02 0.78 -0.00 0.00 0.00 179.45 181.16 3hde h GLY 148 N 0.46 0.89 1.39 0.07 0.00 -1.96 -0.63 103.07 103.29 3hde h GLY 148 Ca 0.28 -0.59 -0.17 0.00 0.00 0.00 0.00 47.33 46.84 3hde h GLY 148 CO -0.08 0.55 -0.57 1.41 0.00 0.00 0.00 176.54 177.85 3hde h LEU 149 N 0.77 0.71 -0.61 3.11 3.38 -1.41 -2.03 115.31 119.23 3hde h LEU 149 Ca 0.15 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 3hde h LEU 149 Cb 0.44 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3hde h LEU 149 CO 0.02 1.12 0.30 0.24 0.09 0.00 0.00 178.44 180.21 3hde h MET 150 N 0.48 0.87 -0.40 1.13 2.86 -0.75 0.14 114.93 119.26 3hde h MET 150 Ca 0.00 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 3hde h MET 150 Cb 1.13 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 3hde h MET 150 CO 0.11 0.69 0.13 1.79 1.06 0.00 0.00 176.91 180.69 3hde h THR 151 N 0.83 1.21 -0.07 2.22 1.35 -1.13 -2.36 112.91 114.97 3hde h THR 151 Ca 0.21 -0.70 0.01 0.00 -0.55 0.00 0.00 66.41 65.38 3hde h THR 151 Cb 0.10 0.91 -0.01 0.00 -1.73 0.00 0.00 68.15 67.42 3hde h THR 151 CO -0.03 0.25 -0.02 -0.09 -0.25 0.00 0.00 175.52 175.38 3hde h ARG 152 N 0.51 -0.01 -0.63 4.72 2.43 -0.87 -2.02 114.38 118.51 3hde h ARG 152 Ca 0.13 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.33 3hde h ARG 152 Cb 0.25 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 3hde h ARG 152 CO -0.00 -0.01 0.42 0.00 -1.51 0.00 0.00 179.97 178.87 3hde h ARG 153 N -0.01 0.72 -0.56 0.20 2.47 -0.71 0.42 114.38 116.91 3hde h ARG 153 Ca 0.03 -0.04 -0.08 0.00 -1.26 0.00 0.00 59.98 58.63 3hde h ARG 153 Cb 0.06 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.20 3hde h ARG 153 CO -0.07 0.48 0.05 0.93 0.56 0.00 0.00 179.97 181.91 3hde h GLU 154 N 0.74 0.96 -0.26 0.04 4.39 -1.01 0.35 114.58 119.79 3hde h GLU 154 Ca 0.25 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 3hde h GLU 154 Cb 0.08 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 3hde h GLU 154 CO -0.07 0.94 0.07 0.82 -1.16 0.00 0.00 179.01 179.61 3hde h ILE 155 N 0.85 1.21 -0.52 3.13 1.08 -0.70 -1.57 117.51 121.00 3hde h ILE 155 Ca 0.17 -0.68 -0.07 0.00 -0.39 0.00 0.00 64.86 63.89 3hde h ILE 155 Cb 0.47 1.16 -0.02 0.00 -3.07 0.00 0.00 36.82 35.36 3hde h ILE 155 CO 0.02 0.22 0.04 -0.33 -0.69 0.00 0.00 178.15 177.41 3hde h GLU 156 N 0.25 0.84 -0.47 2.37 5.08 -0.78 -2.55 114.58 119.32 3hde h GLU 156 Ca 0.08 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 3hde h GLU 156 Cb 0.27 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3hde h GLU 156 CO -0.00 0.82 0.14 -0.09 -1.00 0.00 0.00 179.01 178.88 3hde h ARG 157 N 0.79 0.73 -0.76 2.33 2.43 -0.21 0.02 114.38 119.70 3hde h ARG 157 Ca 0.16 -0.16 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3hde h ARG 157 Cb 0.42 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.81 3hde h ARG 157 CO 0.01 0.70 0.47 0.93 -1.51 0.00 0.00 179.97 180.58 3hde h GLU 158 N 0.62 0.88 -0.22 0.20 5.08 -1.10 -1.57 114.58 118.48 3hde h GLU 158 Ca 0.15 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.35 3hde h GLU 158 Cb 0.27 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 3hde h GLU 158 CO -0.00 0.58 -0.27 0.82 -1.00 0.00 0.00 179.01 179.14 3hde h ILE 159 N 0.91 1.32 -1.04 3.13 1.08 -1.32 -2.01 117.51 119.58 3hde h ILE 159 Ca 0.31 -1.46 0.28 0.00 -0.39 0.00 0.00 64.86 63.61 3hde h ILE 159 Cb 0.06 1.75 -0.06 0.00 -3.07 0.00 0.00 36.82 35.50 3hde h ILE 159 CO -0.13 0.45 0.71 0.00 -0.69 0.00 0.00 178.15 178.50 3hde n LEU 161 N -4.39 2.99 -0.26 0.00 4.77 -0.62 -4.37 117.00 115.11 3hde n LEU 161 Ca 0.23 -1.20 0.07 0.00 -0.03 0.00 0.00 56.01 55.08 3hde n LEU 161 Cb 1.00 -0.09 0.20 0.00 -2.33 0.00 0.00 43.42 42.19 3hde n LEU 161 CO 0.34 0.57 0.90 -0.25 -1.33 0.00 0.00 177.39 177.62 3hde h TRP 162 N 4.15 0.20 -0.75 -1.77 2.91 -0.37 -1.65 115.95 118.67 3hde h TRP 162 Ca 0.00 0.05 0.04 0.00 1.13 0.00 0.00 58.89 60.10 3hde h TRP 162 Cb 0.90 0.03 -0.05 0.00 -0.51 0.00 0.00 29.16 29.54 3hde h TRP 162 CO 0.09 -0.16 0.47 0.78 -1.03 0.00 0.00 178.44 178.59 3hde h GLY 163 N 0.21 1.09 -2.61 2.65 0.00 -1.81 -3.15 103.07 99.45 3hde h GLY 163 Ca 0.44 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3hde h GLY 163 CO -0.58 0.29 0.00 -1.06 0.00 0.00 0.00 176.54 175.18 3hde n GLN 164 N -4.64 2.65 0.00 4.80 6.02 -0.63 -5.19 117.38 120.39 3hde n GLN 164 Ca 0.09 -2.56 0.00 0.00 -0.01 0.00 0.00 57.00 54.52 3hde n GLN 164 Cb 0.10 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 29.81 3hde n GLN 164 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09