#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 1.47 -0.11 3.17 -0.02 -1.26 -4.77 135.00 133.48 3hde n PRO 2 Ca 0.00 0.53 0.22 0.00 -2.02 0.00 0.00 63.50 62.23 3hde n PRO 2 Cb 0.00 -2.15 0.65 0.00 -0.02 0.00 0.00 33.50 31.97 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 4.41 0.11 -0.26 0.52 0.11 -2.06 0.14 132.00 134.98 3hde h PRO 3 Ca -0.45 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 3hde h PRO 3 Cb 1.31 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 3hde h PRO 3 CO 0.77 0.08 -0.16 0.66 -0.21 0.00 0.00 178.00 179.14 3hde h SER 4 N 0.12 0.43 0.05 -2.05 4.64 -2.00 -2.21 113.55 112.53 3hde h SER 4 Ca 0.35 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3hde h SER 4 Cb 1.22 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3hde h SER 4 CO -0.04 0.61 -0.02 0.25 -0.87 0.00 0.00 176.83 176.76 3hde h LEU 5 N 0.41 -0.05 -0.79 5.97 5.85 -1.06 -1.79 115.31 123.83 3hde h LEU 5 Ca 0.07 -0.42 0.18 0.00 0.84 0.00 0.00 57.88 58.55 3hde h LEU 5 Cb 0.52 0.01 -0.14 0.00 0.37 0.00 0.00 40.66 41.42 3hde h LEU 5 CO 0.03 0.40 -0.06 0.03 -0.34 0.00 0.00 178.44 178.51 3hde h ARG 6 N -0.52 0.06 -0.47 1.25 3.08 -1.38 -0.47 114.38 115.93 3hde h ARG 6 Ca -0.01 -0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 3hde h ARG 6 Cb 0.47 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 3hde h ARG 6 CO 0.01 0.04 -0.09 0.87 -1.07 0.00 0.00 179.97 179.73 3hde h LYS 7 N 0.06 0.89 -0.51 0.04 1.57 -1.33 -0.57 116.57 116.71 3hde h LYS 7 Ca 0.42 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 3hde h LYS 7 Cb 0.73 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 3hde h LYS 7 CO -0.74 0.97 -0.02 0.00 -0.57 0.00 0.00 179.45 179.09 3hde h ALA 8 N 0.89 1.00 -0.16 3.86 0.00 -0.56 -1.87 119.26 122.41 3hde h ALA 8 Ca 0.12 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3hde h ALA 8 Cb 0.63 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3hde h ALA 8 CO 0.04 0.61 0.03 0.28 0.00 0.00 0.00 179.25 180.21 3hde h VAL 9 N 0.81 1.22 -0.84 0.00 2.07 -0.88 -2.26 116.25 116.37 3hde h VAL 9 Ca 0.15 -0.69 0.06 0.00 0.82 0.00 0.00 66.70 67.04 3hde h VAL 9 Cb 0.51 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 3hde h VAL 9 CO 0.03 0.21 0.55 0.00 0.02 0.00 0.00 177.57 178.37 3hde h ALA 10 N 0.82 1.58 0.00 1.67 0.00 -0.97 -0.20 119.26 122.16 3hde h ALA 10 Ca 0.05 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3hde h ALA 10 Cb 0.29 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3hde h ALA 10 CO 0.00 0.29 -0.43 0.00 0.00 0.00 0.00 179.25 179.12 3hde h ALA 11 N 1.54 1.19 0.00 0.00 0.00 -1.18 -3.12 119.26 117.70 3hde h ALA 11 Ca 0.36 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3hde h ALA 11 Cb 0.22 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3hde h ALA 11 CO -0.13 0.53 -0.48 0.00 0.00 0.00 0.00 179.25 179.18 3hde h ALA 12 N 1.57 0.77 -1.00 0.00 0.00 -0.47 -3.39 119.26 116.75 3hde h ALA 12 Ca -0.00 -0.09 0.18 0.00 0.00 0.00 0.00 54.91 54.99 3hde h ALA 12 Cb 0.80 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.50 3hde h ALA 12 CO 0.06 0.11 0.62 0.82 0.00 0.00 0.00 179.25 180.85 3hde h ILE 13 N 0.00 0.74 0.00 0.00 2.04 -1.18 0.32 117.51 119.42 3hde h ILE 13 Ca -0.01 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3hde h ILE 13 Cb 1.07 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3hde h ILE 13 CO 0.01 0.14 0.00 1.23 0.00 0.00 0.00 178.15 179.53 3hde h GLY 14 N 0.78 0.00 1.41 5.37 0.00 -1.80 0.42 103.07 109.24 3hde h GLY 14 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.89 3hde h GLY 14 CO -0.35 0.00 -0.14 0.61 0.00 0.00 0.00 176.54 176.66 3hde n GLY 15 N -0.86 -1.26 0.00 4.60 0.00 0.11 -5.05 105.19 102.73 3hde n GLY 15 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 1.41 -0.83 0.38 -0.02 0.00 0.14 -4.07 105.19 102.20 3hde n GLY 16 Ca 0.10 -1.69 0.19 0.00 0.00 0.00 0.00 46.02 44.62 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 2.00 -0.24 4.61 0.00 -1.86 -0.68 119.26 123.10 3hde h ALA 17 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3hde h ALA 17 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3hde h ALA 17 CO 0.00 -0.42 0.06 0.82 0.00 0.00 0.00 179.25 179.71 3hde h ILE 18 N 0.51 1.21 -0.54 0.00 1.08 -1.91 -0.95 117.51 116.91 3hde h ILE 18 Ca 0.61 -0.69 -0.07 0.00 -0.39 0.00 0.00 64.86 64.32 3hde h ILE 18 Cb 1.32 1.20 -0.02 0.00 -3.07 0.00 0.00 36.82 36.24 3hde h ILE 18 CO -0.37 0.22 0.06 0.00 -0.69 0.00 0.00 178.15 177.37 3hde h ALA 19 N 0.88 1.09 -0.37 1.87 0.00 -1.31 -1.04 119.26 120.38 3hde h ALA 19 Ca 0.08 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3hde h ALA 19 Cb 0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3hde h ALA 19 CO 0.00 0.58 0.04 0.82 0.00 0.00 0.00 179.25 180.70 3hde h ILE 20 N 0.82 1.25 -0.51 0.00 2.04 -1.10 -2.49 117.51 117.51 3hde h ILE 20 Ca 0.17 -0.89 -0.10 0.00 1.00 0.00 0.00 64.86 65.03 3hde h ILE 20 Cb 0.41 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 3hde h ILE 20 CO 0.01 0.30 -0.09 0.00 0.00 0.00 0.00 178.15 178.37 3hde h ALA 21 N 0.90 0.88 -0.81 1.87 0.00 -1.00 -2.28 119.26 118.81 3hde h ALA 21 Ca 0.11 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.70 3hde h ALA 21 Cb 0.39 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3hde h ALA 21 CO 0.01 0.64 0.54 1.03 0.00 0.00 0.00 179.25 181.47 3hde h SER 22 N 0.84 0.92 -0.17 0.00 0.87 -1.03 -0.55 113.55 114.42 3hde h SER 22 Ca 0.14 -0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.52 3hde h SER 22 Cb 0.62 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 3hde h SER 22 CO 0.04 0.66 -0.49 0.58 -0.53 0.00 0.00 176.83 177.09 3hde h VAL 23 N 1.08 1.33 -0.92 2.23 2.07 -1.21 -1.06 116.25 119.77 3hde h VAL 23 Ca 0.30 -1.74 0.06 0.00 0.82 0.00 0.00 66.70 66.15 3hde h VAL 23 Cb -0.10 1.96 -0.06 0.00 -1.52 0.00 0.00 31.29 31.56 3hde h VAL 23 CO -0.07 0.54 0.58 -0.07 0.02 0.00 0.00 177.57 178.57 3hde h LEU 24 N 0.31 0.93 -0.01 2.57 3.38 -0.83 0.27 115.31 121.93 3hde h LEU 24 Ca -0.01 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3hde h LEU 24 Cb 1.11 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3hde h LEU 24 CO 0.10 0.59 -0.09 0.40 0.09 0.00 0.00 178.44 179.54 3hde h ILE 25 N 1.06 1.55 0.00 1.22 2.04 -0.96 0.17 117.51 122.59 3hde h ILE 25 Ca 0.40 -1.74 -0.10 0.00 1.00 0.00 0.00 64.86 64.43 3hde h ILE 25 Cb 0.16 2.67 -0.02 0.00 -0.74 0.00 0.00 36.82 38.90 3hde h ILE 25 CO -0.17 0.46 -1.16 0.71 0.00 0.00 0.00 178.15 177.99 3hde h THR 26 N -0.60 0.31 -1.78 -0.27 1.35 -1.20 -2.20 112.91 108.53 3hde h THR 26 Ca -0.01 -1.60 0.19 0.00 -0.55 0.00 0.00 66.41 64.44 3hde h THR 26 Cb 0.80 1.85 -0.08 0.00 -1.73 0.00 0.00 68.15 68.99 3hde h THR 26 CO 0.02 0.18 -0.53 0.61 -0.25 0.00 0.00 175.52 175.54 3hde n GLY 27 N 1.29 -2.53 0.28 5.82 0.00 0.96 -2.13 105.19 108.88 3hde n GLY 27 Ca -0.05 -1.28 0.10 0.00 0.00 0.00 0.00 46.02 44.80 3hde n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hde h PRO 28 N -0.73 0.00 -0.01 1.61 0.13 -1.82 -2.94 132.00 128.24 3hde h PRO 28 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3hde h PRO 28 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3hde h PRO 28 CO 0.03 0.00 -0.54 0.45 -0.23 0.00 0.00 178.00 177.71 3hde n SER 29 N -4.33 1.63 0.00 1.44 2.88 -1.26 -4.97 113.62 109.01 3hde n SER 29 Ca -0.03 -1.32 0.00 0.00 -1.33 0.00 0.00 58.87 56.20 3hde n SER 29 Cb 0.10 0.61 0.00 0.00 -0.75 0.00 0.00 64.21 64.17 3hde n SER 29 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hde n GLY 30 N 1.35 3.03 0.04 0.46 0.00 -0.91 -4.71 105.19 104.45 3hde n GLY 30 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.20 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 0.20 0.28 -1.67 1.61 4.13 -1.23 -4.71 115.26 113.88 3hde n ASN 31 Ca 0.00 0.06 -0.16 0.00 1.68 0.00 0.00 54.58 56.16 3hde n ASN 31 Cb 0.00 1.50 0.07 0.00 -1.54 0.00 0.00 39.78 39.81 3hde n ASN 31 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3hde n ASP 32 N -2.35 4.07 -1.58 6.41 5.75 -1.18 -4.87 116.55 122.80 3hde n ASP 32 Ca -0.02 -3.77 0.00 0.00 -0.01 0.00 0.00 54.79 50.99 3hde n ASP 32 Cb 0.55 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 3hde n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hde n GLY 33 N -0.81 1.39 0.14 6.12 0.00 -1.01 -4.26 105.19 106.77 3hde n GLY 33 Ca 0.37 -2.02 0.01 0.00 0.00 0.00 0.00 46.02 44.38 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 0.00 -9.54 0.99 3.38 -0.27 -3.45 115.31 106.42 3hde h LEU 34 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 3hde h LEU 34 Cb 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 3hde h LEU 34 CO 0.00 0.58 -0.45 -1.61 0.09 0.00 0.00 178.44 177.05 3hde s GLU 35 N -3.32 3.68 1.05 1.13 0.41 -0.86 -5.05 118.70 115.74 3hde s GLU 35 Ca 0.01 -0.09 -0.12 0.00 -0.41 0.00 0.00 54.97 54.35 3hde s GLU 35 Cb 0.11 -3.25 0.22 0.00 -1.78 0.00 0.00 34.13 29.42 3hde s GLU 35 CO 0.74 0.64 1.07 0.20 -0.49 0.00 0.00 175.26 177.42 3hde s GLY 36 N -0.65 1.59 -0.04 -1.39 0.00 -1.26 -4.83 107.32 100.73 3hde s GLY 36 Ca 0.14 -0.02 -0.08 0.00 0.00 0.00 0.00 44.72 44.76 3hde s GLY 36 CO 0.03 0.58 0.19 0.54 0.00 0.00 0.00 173.10 174.45 3hde s VAL 37 N -2.66 0.04 -0.24 1.40 0.11 -1.26 -3.98 120.40 113.81 3hde s VAL 37 Ca 0.67 -0.32 -0.13 0.00 -2.93 0.00 0.00 61.98 59.27 3hde s VAL 37 Cb -0.22 -0.39 0.07 0.00 -1.53 0.00 0.00 36.38 34.32 3hde s VAL 37 CO 0.61 -0.17 0.58 -0.55 -3.33 0.00 0.00 175.10 172.24 3hde s SER 38 N -0.62 -0.79 0.00 3.54 0.15 -0.93 -5.00 113.70 110.06 3hde s SER 38 Ca -0.07 1.29 0.28 0.00 0.70 0.00 0.00 55.95 58.15 3hde s SER 38 Cb -0.04 1.19 1.07 0.00 -1.71 0.00 0.00 66.02 66.53 3hde s SER 38 CO 0.01 -0.22 1.76 -1.22 1.20 0.00 0.00 173.24 174.77 3hde n TYR 39 N 4.35 0.00 -4.98 3.44 4.01 -1.26 0.45 117.16 123.16 3hde n TYR 39 Ca -0.21 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.21 3hde n TYR 39 Cb 0.57 -0.09 -0.17 0.00 -0.31 0.00 0.00 39.34 39.34 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 -2.31 2.19 0.40 -0.72 1.01 -1.26 0.27 121.20 120.78 3hde s ILE 40 Ca 0.32 -0.96 -0.25 0.00 0.00 0.00 0.00 60.65 59.75 3hde s ILE 40 Cb 0.20 -1.86 -0.11 0.00 0.01 0.00 0.00 42.46 40.71 3hde s ILE 40 CO 0.44 0.55 1.05 -2.65 0.00 0.00 0.00 174.94 174.33 3hde n PRO 41 N 3.71 1.44 -3.91 2.79 -0.02 -1.26 -4.85 135.00 132.90 3hde n PRO 41 Ca -0.19 0.51 -0.10 0.00 -2.02 0.00 0.00 63.50 61.70 3hde n PRO 41 Cb 0.52 -2.06 -0.10 0.00 -0.02 0.00 0.00 33.50 31.84 3hde n PRO 41 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3hde s TYR 42 N -1.23 0.14 -0.15 6.00 -0.85 0.88 -4.91 117.35 117.22 3hde s TYR 42 Ca 0.62 -0.35 -0.28 0.00 -0.52 0.00 0.00 57.07 56.54 3hde s TYR 42 Cb -0.57 -0.11 -0.01 0.00 0.38 0.00 0.00 41.96 41.65 3hde s TYR 42 CO 0.58 -0.31 0.96 0.15 -1.52 0.00 0.00 175.55 175.41 3hde s LYS 43 N -1.93 4.35 0.73 -3.49 1.02 -1.26 -0.11 119.74 119.05 3hde s LYS 43 Ca -0.11 1.26 -0.11 0.00 0.02 0.00 0.00 55.97 57.04 3hde s LYS 43 Cb -0.05 -3.57 0.16 0.00 -0.52 0.00 0.00 37.83 33.85 3hde s LYS 43 CO -0.01 -0.39 1.00 -0.40 -0.92 0.00 0.00 175.35 174.63 3hde n ASP 44 N 5.36 0.27 0.00 2.83 5.68 -0.08 -4.87 116.55 125.73 3hde n ASP 44 Ca 0.08 -1.48 0.15 0.00 -0.50 0.00 0.00 54.79 53.04 3hde n ASP 44 Cb 0.48 -0.74 0.80 0.00 -1.14 0.00 0.00 41.12 40.51 3hde n ASP 44 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 3hde n ILE 45 N -3.27 0.01 -0.61 2.12 -6.64 -1.26 -0.97 119.36 108.74 3hde n ILE 45 Ca 0.13 0.00 0.10 0.00 -1.77 0.00 0.00 62.75 61.21 3hde n ILE 45 Cb 0.46 -0.51 0.35 0.00 -1.44 0.00 0.00 39.64 38.50 3hde n ILE 45 CO 0.00 0.00 0.00 1.33 -1.77 0.00 0.00 176.55 176.11 3hde n VAL 46 N -1.22 1.78 -1.44 7.28 0.24 -1.26 -4.96 118.33 118.75 3hde n VAL 46 Ca 0.16 -1.19 -0.01 0.00 -2.04 0.00 0.00 64.34 61.26 3hde n VAL 46 Cb 0.21 0.16 -0.00 0.00 -1.47 0.00 0.00 33.84 32.73 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 1.14 0.40 3.66 7.63 0.00 -0.15 -5.04 105.19 112.84 3hde n GLY 47 Ca 0.26 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.04 5.04 0.22 1.61 1.01 -1.26 -4.82 120.40 120.16 3hde s VAL 48 Ca 0.00 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 3hde s VAL 48 Cb 0.00 -3.29 -0.09 0.00 0.00 0.00 0.00 36.38 33.00 3hde s VAL 48 CO 0.00 0.43 1.24 0.26 0.00 0.00 0.00 175.10 177.03 3hde s TRP 49 N 0.52 3.34 0.04 5.22 0.52 -1.26 -0.91 118.94 126.41 3hde s TRP 49 Ca 0.05 1.38 0.03 0.00 0.02 0.00 0.00 56.10 57.59 3hde s TRP 49 Cb -0.12 -3.51 -0.02 0.00 -1.15 0.00 0.00 33.47 28.67 3hde s TRP 49 CO 0.00 -1.46 -0.10 0.99 0.02 0.00 0.00 176.95 176.40 3hde s THR 50 N -0.26 0.79 0.19 2.01 2.01 0.85 -4.45 115.64 116.78 3hde s THR 50 Ca 0.53 -1.03 -0.12 0.00 0.31 0.00 0.00 61.69 61.38 3hde s THR 50 Cb -0.35 -0.78 0.00 0.00 0.01 0.00 0.00 72.50 71.38 3hde s THR 50 CO 0.40 -0.21 0.38 0.54 -0.69 0.00 0.00 174.62 175.03 3hde s VAL 51 N -1.11 0.04 0.00 3.82 0.11 -0.44 -0.09 120.40 122.73 3hde s VAL 51 Ca -0.04 -1.24 0.00 0.00 -2.93 0.00 0.00 61.98 57.76 3hde s VAL 51 Cb -0.09 -1.85 0.00 0.00 -1.53 0.00 0.00 36.38 32.92 3hde s VAL 51 CO 0.01 -0.20 0.00 0.00 -3.33 0.00 0.00 175.10 171.58 3hde n HIS 53 N 14.00 2.10 -0.81 0.00 8.25 -1.26 -2.18 115.22 135.32 3hde n HIS 53 Ca 0.00 -2.46 0.00 0.00 -0.26 0.00 0.00 57.72 55.00 3hde n HIS 53 Cb 0.00 -1.69 0.00 0.00 1.12 0.00 0.00 29.99 29.42 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 1.55 0.61 3.72 -1.41 0.00 -1.10 -4.89 105.19 103.66 3hde n GLY 54 Ca 0.58 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 3.42 0.13 1.61 5.65 0.15 -4.83 115.29 119.43 3hde s HIS 55 Ca 0.00 1.28 0.09 0.00 0.25 0.00 0.00 55.06 56.68 3hde s HIS 55 Cb 0.00 -3.44 -0.04 0.00 -1.18 0.00 0.00 32.58 27.92 3hde s HIS 55 CO 0.00 -1.36 -0.22 0.95 -0.65 0.00 0.00 174.74 173.46 3hde s THR 56 N 0.94 1.90 0.00 0.89 -4.23 -1.26 -1.33 115.64 112.55 3hde s THR 56 Ca 0.59 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 3hde s THR 56 Cb -0.30 -1.77 0.00 0.00 1.34 0.00 0.00 72.50 71.77 3hde s THR 56 CO 0.30 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.88 3hde n GLY 57 N 0.76 2.50 0.39 3.99 0.00 -1.26 -4.96 105.19 106.61 3hde n GLY 57 Ca -0.17 -0.96 0.09 0.00 0.00 0.00 0.00 46.02 44.98 3hde n GLY 57 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hde n LYS 58 N -0.92 1.51 0.14 1.61 3.00 -1.26 -3.21 118.16 119.04 3hde n LYS 58 Ca 0.00 -0.78 0.09 0.00 -0.00 0.00 0.00 58.31 57.62 3hde n LYS 58 Cb 0.00 -1.34 0.05 0.00 0.00 0.00 0.00 35.03 33.75 3hde n LYS 58 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 3hde h ASP 59 N 1.52 0.00 -2.47 3.14 2.03 -2.02 -3.47 116.42 115.15 3hde h ASP 59 Ca 0.00 0.00 -0.54 0.00 -0.73 0.00 0.00 57.03 55.76 3hde h ASP 59 Cb 0.33 0.00 0.04 0.00 -0.83 0.00 0.00 39.33 38.88 3hde h ASP 59 CO 0.00 0.13 1.06 -0.38 -1.03 0.00 0.00 179.24 179.03 3hde n ILE 60 N -2.93 0.28 -3.22 4.15 5.41 -1.20 -4.94 119.36 116.91 3hde n ILE 60 Ca 0.01 -0.05 -0.42 0.00 1.00 0.00 0.00 62.75 63.29 3hde n ILE 60 Cb 0.60 -2.02 -0.08 0.00 -0.71 0.00 0.00 39.64 37.43 3hde n ILE 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hde s MET 61 N 2.35 3.57 0.13 0.38 0.00 -1.26 -4.99 119.30 119.48 3hde s MET 61 Ca 0.81 -0.19 -0.22 0.00 0.00 0.00 0.00 55.69 56.10 3hde s MET 61 Cb -0.52 -3.83 -0.02 0.00 0.00 0.00 0.00 34.83 30.46 3hde s MET 61 CO 0.37 -0.70 1.67 -0.07 0.00 0.00 0.00 175.02 176.30 3hde h LEU 62 N 9.17 -0.42 -5.42 0.18 3.38 -1.99 -3.11 115.31 117.11 3hde h LEU 62 Ca -0.27 0.08 -0.69 0.00 0.09 0.00 0.00 57.88 57.08 3hde h LEU 62 Cb 1.12 0.21 -0.17 0.00 0.09 0.00 0.00 40.66 41.90 3hde h LEU 62 CO 0.79 -0.17 1.59 0.61 0.09 0.00 0.00 178.44 181.35 3hde n GLY 63 N -1.28 5.18 3.02 0.83 0.00 -1.26 -4.61 105.19 107.06 3hde n GLY 63 Ca -0.03 -2.13 -0.12 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.02 0.17 -0.33 1.61 2.20 -1.18 -5.12 119.74 115.07 3hde s LYS 64 Ca 0.53 0.19 -0.14 0.00 -0.36 0.00 0.00 55.97 56.19 3hde s LYS 64 Cb 0.25 0.08 -0.02 0.00 -1.51 0.00 0.00 37.83 36.64 3hde s LYS 64 CO -0.15 -0.02 0.29 0.99 -0.36 0.00 0.00 175.35 176.10 3hde s THR 65 N 0.06 5.23 0.22 3.43 2.01 -1.26 -4.31 115.64 121.03 3hde s THR 65 Ca -0.00 -0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.65 3hde s THR 65 Cb -0.01 -3.75 -0.08 0.00 0.01 0.00 0.00 72.50 68.67 3hde s THR 65 CO 0.00 -0.02 0.94 -0.31 -0.69 0.00 0.00 174.62 174.54 3hde s TYR 66 N 1.86 3.96 0.56 4.92 2.02 0.14 -5.02 117.35 125.79 3hde s TYR 66 Ca 0.09 1.90 -0.14 0.00 -0.37 0.00 0.00 57.07 58.54 3hde s TYR 66 Cb -0.17 -2.99 -0.06 0.00 -0.40 0.00 0.00 41.96 38.34 3hde s TYR 66 CO 0.11 0.42 1.00 0.95 -1.57 0.00 0.00 175.55 176.46 3hde s THR 67 N -0.97 4.60 0.45 -0.71 -4.23 -1.26 -4.77 115.64 108.74 3hde s THR 67 Ca 0.42 1.08 0.27 0.00 -1.18 0.00 0.00 61.69 62.28 3hde s THR 67 Cb -0.26 -3.78 0.47 0.00 1.34 0.00 0.00 72.50 70.27 3hde s THR 67 CO 0.32 -0.87 1.73 0.11 -0.54 0.00 0.00 174.62 175.36 3hde h LYS 68 N 0.42 0.20 0.06 3.99 1.79 -1.99 -0.28 116.57 120.76 3hde h LYS 68 Ca -0.46 -0.01 -0.30 0.00 -2.18 0.00 0.00 60.65 57.70 3hde h LYS 68 Cb 1.19 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.76 3hde h LYS 68 CO 0.62 0.13 -1.63 0.00 -1.08 0.00 0.00 179.45 177.49 3hde h ALA 69 N 1.54 0.51 -0.49 3.86 0.00 -1.99 -2.50 119.26 120.20 3hde h ALA 69 Ca 0.67 -1.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.25 3hde h ALA 69 Cb 2.07 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 20.23 3hde h ALA 69 CO -0.26 1.36 0.10 0.93 0.00 0.00 0.00 179.25 181.39 3hde h GLU 70 N 0.03 0.75 -0.37 0.00 5.08 -1.72 -2.44 114.58 115.91 3hde h GLU 70 Ca -0.27 -0.15 -0.17 0.00 -1.00 0.00 0.00 59.36 57.78 3hde h GLU 70 Cb 1.99 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 31.12 3hde h GLU 70 CO 0.11 0.69 -0.41 0.00 -1.00 0.00 0.00 179.01 178.40 3hde h LYS 72 N 0.76 1.07 -0.19 0.00 -0.00 -1.27 -0.93 116.57 116.01 3hde h LYS 72 Ca 0.05 -0.12 -0.16 0.00 -0.00 0.00 0.00 60.65 60.42 3hde h LYS 72 Cb 1.01 -0.21 -0.01 0.00 -0.00 0.00 0.00 32.23 33.02 3hde h LYS 72 CO 0.10 0.79 -0.55 0.00 -0.00 0.00 0.00 179.45 179.79 3hde h ALA 73 N 1.38 0.69 -0.36 0.07 0.00 -1.34 -1.82 119.26 117.87 3hde h ALA 73 Ca 0.27 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 3hde h ALA 73 Cb 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3hde h ALA 73 CO -0.04 0.69 0.05 -0.07 0.00 0.00 0.00 179.25 179.88 3hde h LEU 74 N 0.43 0.59 -0.41 0.00 3.38 -0.95 -1.63 115.31 116.72 3hde h LEU 74 Ca 0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3hde h LEU 74 Cb 1.10 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 3hde h LEU 74 CO 0.10 0.70 0.21 0.25 0.09 0.00 0.00 178.44 179.80 3hde h LEU 75 N 0.45 0.52 -0.64 1.67 5.85 -1.05 0.33 115.31 122.45 3hde h LEU 75 Ca 0.11 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3hde h LEU 75 Cb 0.37 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 3hde h LEU 75 CO 0.01 0.48 0.42 0.78 -0.34 0.00 0.00 178.44 179.78 3hde h ASN 76 N 0.53 0.71 -0.67 1.25 2.35 -1.29 0.19 115.58 118.65 3hde h ASN 76 Ca 0.14 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 3hde h ASN 76 Cb 0.08 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 3hde h ASN 76 CO -0.02 0.51 0.23 0.50 -1.65 0.00 0.00 177.43 177.00 3hde h LYS 77 N 0.84 1.02 -0.16 0.81 3.64 -0.94 -1.35 116.57 120.44 3hde h LYS 77 Ca 0.24 -0.21 -0.17 0.00 -1.27 0.00 0.00 60.65 59.24 3hde h LYS 77 Cb -0.07 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 31.60 3hde h LYS 77 CO -0.06 0.87 -0.58 -0.44 -2.27 0.00 0.00 179.45 176.98 3hde h ASP 78 N 0.96 0.78 -0.23 4.20 3.32 -0.38 -2.45 116.42 122.62 3hde h ASP 78 Ca 0.22 -0.61 -0.04 0.00 0.02 0.00 0.00 57.03 56.62 3hde h ASP 78 Cb 0.26 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3hde h ASP 78 CO -0.01 1.26 0.01 -0.07 -1.72 0.00 0.00 179.24 178.71 3hde h LEU 79 N 0.35 0.47 -0.93 1.55 3.38 -0.62 -0.73 115.31 118.79 3hde h LEU 79 Ca -0.03 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3hde h LEU 79 Cb 1.20 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 3hde h LEU 79 CO 0.12 0.53 0.48 0.00 0.09 0.00 0.00 178.44 179.66 3hde h ALA 80 N 1.53 1.18 -0.33 1.53 0.00 -1.15 -1.08 119.26 120.94 3hde h ALA 80 Ca 0.11 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3hde h ALA 80 Cb 0.30 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3hde h ALA 80 CO 0.01 0.66 0.06 1.15 0.00 0.00 0.00 179.25 181.13 3hde h THR 81 N 1.24 1.23 -0.43 0.00 2.02 -0.84 -1.59 112.91 114.54 3hde h THR 81 Ca 0.31 -0.79 0.07 0.00 0.77 0.00 0.00 66.41 66.76 3hde h THR 81 Cb 0.03 1.11 -0.06 0.00 -1.74 0.00 0.00 68.15 67.50 3hde h THR 81 CO -0.05 0.27 0.10 0.58 0.37 0.00 0.00 175.52 176.78 3hde h VAL 82 N 0.38 0.79 -0.00 3.16 2.07 -0.92 -0.54 116.25 121.19 3hde h VAL 82 Ca 0.10 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.57 3hde h VAL 82 Cb 0.33 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3hde h VAL 82 CO 0.00 0.04 -0.16 0.00 0.02 0.00 0.00 177.57 177.48 3hde h ALA 83 N 1.32 -0.19 -0.41 1.67 0.00 -1.01 -1.86 119.26 118.78 3hde h ALA 83 Ca 0.21 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.18 3hde h ALA 83 Cb 0.25 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3hde h ALA 83 CO -0.26 -0.65 0.27 0.00 0.00 0.00 0.00 179.25 178.61 3hde h ARG 84 N -0.26 0.32 0.00 0.00 3.08 -0.83 -0.78 114.38 115.91 3hde h ARG 84 Ca 0.05 -0.02 -0.20 0.00 0.07 0.00 0.00 59.98 59.88 3hde h ARG 84 Cb 0.33 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 3hde h ARG 84 CO -0.15 0.21 -0.94 1.96 -1.07 0.00 0.00 179.97 179.98 3hde h GLN 85 N 0.33 0.00 0.00 0.04 4.20 -0.33 -3.39 115.11 115.97 3hde h GLN 85 Ca 0.18 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.79 3hde h GLN 85 Cb 0.28 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 3hde h GLN 85 CO -0.04 0.94 -1.46 0.44 -0.67 0.00 0.00 178.83 178.05 3hde n ILE 86 N -3.36 0.37 -0.19 2.54 -5.35 -0.86 -4.73 119.36 107.77 3hde n ILE 86 Ca 0.00 -0.27 -0.03 0.00 -0.27 0.00 0.00 62.75 62.18 3hde n ILE 86 Cb 0.91 -0.52 0.07 0.00 -1.74 0.00 0.00 39.64 38.36 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 0.44 0.10 7.28 2.35 -1.33 0.89 115.58 125.31 3hde h ASN 87 Ca -0.14 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 3hde h ASN 87 Cb 1.16 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.48 3hde h ASN 87 CO 0.01 0.29 0.00 -2.65 -1.65 0.00 0.00 177.43 173.43 3hde n PRO 88 N -4.85 0.02 0.04 0.81 -0.02 -1.26 -0.72 135.00 129.02 3hde n PRO 88 Ca 0.06 0.38 0.11 0.00 -2.02 0.00 0.00 63.50 62.03 3hde n PRO 88 Cb 0.15 -1.50 0.04 0.00 -0.02 0.00 0.00 33.50 32.17 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 -1.42 0.42 -3.33 6.00 4.01 0.29 -4.82 117.16 118.31 3hde n TYR 89 Ca 0.01 0.12 -0.40 0.00 -0.16 0.00 0.00 57.90 57.47 3hde n TYR 89 Cb 0.03 -0.57 -0.09 0.00 -0.31 0.00 0.00 39.34 38.41 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 -3.24 5.11 -0.65 -0.72 1.01 0.10 -4.95 121.20 117.86 3hde s ILE 90 Ca 0.03 0.42 0.09 0.00 0.00 0.00 0.00 60.65 61.20 3hde s ILE 90 Cb 0.13 -3.82 0.27 0.00 0.01 0.00 0.00 42.46 39.05 3hde s ILE 90 CO 0.79 -0.02 1.22 0.29 0.00 0.00 0.00 174.94 177.22 3hde n LYS 91 N 5.50 2.86 -4.29 2.79 5.02 -1.26 -4.96 118.16 123.81 3hde n LYS 91 Ca -0.07 -2.04 -0.18 0.00 -2.02 0.00 0.00 58.31 54.00 3hde n LYS 91 Cb 0.50 -1.28 -0.10 0.00 -0.02 0.00 0.00 35.03 34.12 3hde n LYS 91 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3hde s VAL 92 N -1.24 1.50 0.27 -0.18 -7.23 -1.26 -5.06 120.40 107.20 3hde s VAL 92 Ca 0.21 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 58.09 3hde s VAL 92 Cb 0.12 -1.82 -0.10 0.00 0.56 0.00 0.00 36.38 35.14 3hde s VAL 92 CO 0.12 -0.54 1.49 -0.62 -0.31 0.00 0.00 175.10 175.23 3hde s ASP 93 N -2.94 6.56 0.03 4.85 -1.08 -1.26 -5.04 116.67 117.79 3hde s ASP 93 Ca 0.16 2.77 0.00 0.00 -0.52 0.00 0.00 52.55 54.97 3hde s ASP 93 Cb -0.02 -2.63 -0.02 0.00 -1.46 0.00 0.00 42.92 38.79 3hde s ASP 93 CO 0.04 -0.77 -0.04 0.27 0.52 0.00 0.00 175.17 175.20 3hde s ILE 94 N -0.10 0.20 0.58 4.11 -4.36 -1.26 -5.12 121.20 115.25 3hde s ILE 94 Ca 0.60 -1.11 -0.20 0.00 -0.26 0.00 0.00 60.65 59.67 3hde s ILE 94 Cb -0.44 -0.56 -0.04 0.00 1.25 0.00 0.00 42.46 42.68 3hde s ILE 94 CO 0.46 -0.58 1.31 -2.84 0.24 0.00 0.00 174.94 173.53 3hde s PRO 95 N -1.95 2.99 0.55 0.37 0.02 -1.26 -4.80 135.00 130.92 3hde s PRO 95 Ca -0.11 2.10 0.23 0.00 0.02 0.00 0.00 61.00 63.25 3hde s PRO 95 Cb -0.07 -2.10 1.56 0.00 0.02 0.00 0.00 34.50 33.91 3hde s PRO 95 CO -0.02 -1.27 2.20 0.93 -0.33 0.00 0.00 177.00 178.51 3hde h GLU 96 N 1.16 0.00 -0.23 5.54 4.39 -1.99 -1.14 114.58 122.31 3hde h GLU 96 Ca -0.51 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.03 3hde h GLU 96 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 3hde h GLU 96 CO 0.56 0.01 -0.50 1.79 -1.16 0.00 0.00 179.01 179.70 3hde h THR 97 N 0.00 1.30 -0.27 1.13 1.35 -1.90 0.42 112.91 114.95 3hde h THR 97 Ca -0.00 -1.71 -0.01 0.00 -0.55 0.00 0.00 66.41 64.14 3hde h THR 97 Cb 0.02 1.80 -0.01 0.00 -1.73 0.00 0.00 68.15 68.22 3hde h THR 97 CO 0.00 0.54 0.14 -0.03 -0.25 0.00 0.00 175.52 175.92 3hde h MET 98 N 0.47 0.38 -0.83 4.72 1.85 -1.40 0.79 114.93 120.90 3hde h MET 98 Ca 0.00 -0.05 0.06 0.00 -0.61 0.00 0.00 59.70 59.10 3hde h MET 98 Cb 1.11 -0.07 -0.06 0.00 0.43 0.00 0.00 31.60 33.01 3hde h MET 98 CO 0.11 0.36 0.51 -0.09 -0.40 0.00 0.00 176.91 177.40 3hde h ARG 99 N 0.30 0.92 -0.65 0.39 2.43 -1.19 0.12 114.38 116.71 3hde h ARG 99 Ca 0.09 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 3hde h ARG 99 Cb 0.10 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 3hde h ARG 99 CO -0.01 0.61 0.18 0.78 -1.51 0.00 0.00 179.97 180.02 3hde h GLY 100 N 0.95 1.10 1.09 2.80 0.00 -0.71 -0.72 103.07 107.58 3hde h GLY 100 Ca 0.36 -0.67 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 3hde h GLY 100 CO -0.16 0.63 0.41 0.00 0.00 0.00 0.00 176.54 177.42 3hde h ALA 101 N 1.07 1.17 -0.09 3.60 0.00 0.15 -2.46 119.26 122.70 3hde h ALA 101 Ca 0.21 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3hde h ALA 101 Cb 0.33 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hde h ALA 101 CO -0.00 0.64 -0.39 -0.07 0.00 0.00 0.00 179.25 179.43 3hde h LEU 102 N 1.17 0.20 -0.68 0.00 3.38 -0.23 -1.25 115.31 117.90 3hde h LEU 102 Ca 0.29 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 3hde h LEU 102 Cb 0.09 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3hde h LEU 102 CO -0.04 0.58 0.03 1.88 0.09 0.00 0.00 178.44 180.97 3hde h TYR 103 N 0.17 1.13 -0.43 1.13 0.05 -0.75 -0.82 116.97 117.45 3hde h TYR 103 Ca 0.02 -0.18 -0.05 0.00 0.05 0.00 0.00 58.73 58.57 3hde h TYR 103 Cb 0.76 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 38.19 3hde h TYR 103 CO 0.01 0.98 0.08 1.03 -1.05 0.00 0.00 178.16 179.22 3hde h SER 104 N 0.96 0.66 -0.39 3.88 0.87 -1.03 0.30 113.55 118.79 3hde h SER 104 Ca 0.18 -0.25 0.02 0.00 -1.23 0.00 0.00 61.79 60.51 3hde h SER 104 Cb 0.52 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 3hde h SER 104 CO 0.03 0.74 0.22 0.15 -0.53 0.00 0.00 176.83 177.44 3hde h PHE 105 N 0.56 0.42 0.02 2.24 3.57 -1.06 -2.70 116.94 119.98 3hde h PHE 105 Ca 0.13 0.01 -0.23 0.00 3.53 0.00 0.00 57.97 61.42 3hde h PHE 105 Cb 0.35 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 3hde h PHE 105 CO 0.02 0.24 -0.98 0.28 -2.23 0.00 0.00 178.31 175.64 3hde h VAL 106 N 0.45 1.44 -0.99 1.41 2.07 -1.01 0.11 116.25 119.74 3hde h VAL 106 Ca 0.16 -2.61 0.20 0.00 0.82 0.00 0.00 66.70 65.28 3hde h VAL 106 Cb 0.02 2.53 -0.10 0.00 -1.52 0.00 0.00 31.29 32.22 3hde h VAL 106 CO -0.08 0.77 0.62 0.22 0.02 0.00 0.00 177.57 179.11 3hde h TYR 107 N 0.17 0.92 0.02 1.57 3.20 -0.32 0.43 116.97 122.96 3hde h TYR 107 Ca -0.08 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 3hde h TYR 107 Cb 1.63 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.62 3hde h TYR 107 CO 0.05 0.20 -0.01 -0.97 -1.64 0.00 0.00 178.16 175.79 3hde h ASN 108 N 0.65 -0.02 0.83 -2.11 -1.24 -1.10 -3.40 115.58 109.20 3hde h ASN 108 Ca 0.56 -0.51 0.00 0.00 0.71 0.00 0.00 56.30 57.06 3hde h ASN 108 Cb 1.03 0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.08 3hde h ASN 108 CO -0.33 0.72 -0.72 -0.37 -1.29 0.00 0.00 177.43 175.44 3hde h VAL 109 N -0.99 0.00 0.00 2.57 -1.51 -0.85 -3.51 116.25 111.97 3hde h VAL 109 Ca -0.00 -0.55 0.00 0.00 -1.23 0.00 0.00 66.70 64.92 3hde h VAL 109 Cb 0.53 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 30.78 3hde h VAL 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 3hde n GLY 110 N 1.32 0.32 0.27 5.19 0.00 0.15 -4.45 105.19 107.99 3hde n GLY 110 Ca 0.03 -1.55 -0.04 0.00 0.00 0.00 0.00 46.02 44.46 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 1.12 -0.02 4.61 0.00 -1.97 -2.29 119.26 120.72 3hde h ALA 111 Ca 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.65 3hde h ALA 111 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3hde h ALA 111 CO 0.00 0.55 -0.08 0.78 0.00 0.00 0.00 179.25 180.51 3hde h GLY 112 N 0.96 -0.06 1.10 0.00 0.00 -1.97 -0.37 103.07 102.72 3hde h GLY 112 Ca 0.12 0.09 0.06 0.00 0.00 0.00 0.00 47.33 47.59 3hde h GLY 112 CO 0.03 -0.08 0.46 3.43 0.00 0.00 0.00 176.54 180.38 3hde h ASN 113 N -0.12 0.66 -0.37 0.19 2.35 -1.71 -2.31 115.58 114.27 3hde h ASN 113 Ca 0.04 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.69 3hde h ASN 113 Cb 0.17 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 3hde h ASN 113 CO -0.09 0.44 -0.15 0.15 -1.65 0.00 0.00 177.43 176.12 3hde h PHE 114 N 0.76 0.87 -0.07 1.19 3.57 -0.92 -2.96 116.94 119.38 3hde h PHE 114 Ca 0.30 -0.21 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 3hde h PHE 114 Cb 0.21 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3hde h PHE 114 CO -0.00 0.94 -0.30 0.00 -2.23 0.00 0.00 178.31 176.71 3hde h ARG 115 N 0.56 0.13 -0.69 1.11 3.08 -0.52 -2.04 114.38 116.00 3hde h ARG 115 Ca 0.09 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3hde h ARG 115 Cb 0.69 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.73 3hde h ARG 115 CO 0.05 0.42 0.00 0.25 -1.07 0.00 0.00 179.97 179.62 3hde n THR 116 N -4.14 1.44 -2.82 2.04 -2.24 -1.06 -4.98 114.28 102.52 3hde n THR 116 Ca -0.01 -1.08 -0.35 0.00 -2.27 0.00 0.00 64.05 60.34 3hde n THR 116 Cb 0.38 0.28 -0.07 0.00 -2.10 0.00 0.00 70.33 68.82 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 -0.94 7.13 0.30 3.42 1.04 -0.77 -4.95 113.70 118.94 3hde s SER 117 Ca 0.50 1.74 0.00 0.00 0.48 0.00 0.00 55.95 58.67 3hde s SER 117 Cb 0.29 -2.55 0.46 0.00 0.10 0.00 0.00 66.02 64.32 3hde s SER 117 CO 0.28 -0.20 1.85 0.74 0.98 0.00 0.00 173.24 176.90 3hde h THR 118 N 2.28 1.21 -0.61 2.02 2.02 -1.90 -2.91 112.91 115.03 3hde h THR 118 Ca -0.48 -0.75 0.12 0.00 0.77 0.00 0.00 66.41 66.07 3hde h THR 118 Cb 1.19 0.66 -0.12 0.00 -1.74 0.00 0.00 68.15 68.14 3hde h THR 118 CO 0.63 0.28 -0.17 0.25 0.37 0.00 0.00 175.52 176.89 3hde h LEU 119 N 0.76 -0.62 -0.90 2.58 6.46 -1.91 -0.74 115.31 120.94 3hde h LEU 119 Ca 0.17 0.19 -0.03 0.00 -0.12 0.00 0.00 57.88 58.09 3hde h LEU 119 Cb 0.25 0.39 -0.04 0.00 -0.73 0.00 0.00 40.66 40.54 3hde h LEU 119 CO -0.01 -0.21 0.41 0.25 -0.62 0.00 0.00 178.44 178.26 3hde h LEU 120 N -0.02 1.09 -0.70 2.25 5.85 -1.75 -1.77 115.31 120.26 3hde h LEU 120 Ca 0.29 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.91 3hde h LEU 120 Cb 0.46 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 3hde h LEU 120 CO -0.63 0.91 0.44 0.03 -0.34 0.00 0.00 178.44 178.85 3hde h ARG 121 N 1.19 0.85 -0.64 1.25 3.08 -1.16 -2.12 114.38 116.84 3hde h ARG 121 Ca 0.29 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 3hde h ARG 121 Cb 0.10 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 3hde h ARG 121 CO -0.04 0.56 0.37 0.87 -1.07 0.00 0.00 179.97 180.66 3hde h LYS 122 N 0.87 0.87 -0.40 0.04 6.56 -0.61 -2.11 116.57 121.80 3hde h LYS 122 Ca 0.28 -0.09 0.05 0.00 -1.06 0.00 0.00 60.65 59.83 3hde h LYS 122 Cb -0.00 -0.18 -0.05 0.00 -0.57 0.00 0.00 32.23 31.43 3hde h LYS 122 CO -0.10 0.64 0.11 0.82 -2.06 0.00 0.00 179.45 178.86 3hde h ILE 123 N 0.86 0.84 0.00 1.86 2.04 -0.93 0.24 117.51 122.42 3hde h ILE 123 Ca 0.23 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 66.00 3hde h ILE 123 Cb -0.00 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3hde h ILE 123 CO -0.04 0.05 0.00 0.78 0.00 0.00 0.00 178.15 178.94 3hde h ASN 124 N 0.26 0.00 -0.02 1.72 2.35 -1.04 -0.05 115.58 118.79 3hde h ASN 124 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3hde h ASN 124 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3hde h ASN 124 CO -0.22 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.56 3hde n GLN 125 N -2.84 1.14 -1.04 0.81 6.02 -0.82 -4.87 117.38 115.78 3hde n GLN 125 Ca 0.02 -0.21 -0.02 0.00 -0.01 0.00 0.00 57.00 56.79 3hde n GLN 125 Cb 0.37 -1.36 -0.01 0.00 1.02 0.00 0.00 30.24 30.26 3hde n GLN 125 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hde n GLY 126 N 0.91 0.51 2.76 1.08 0.00 -0.03 -4.94 105.19 105.48 3hde n GLY 126 Ca 0.17 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 0.39 6.34 -0.15 1.61 -0.08 0.03 -4.79 116.55 119.90 3hde n ASP 127 Ca -0.02 -3.22 -0.04 0.00 -1.51 0.00 0.00 54.79 50.00 3hde n ASP 127 Cb 0.11 -1.38 0.05 0.00 2.34 0.00 0.00 41.12 42.24 3hde n ASP 127 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 3hde h ILE 128 N 3.24 0.82 -0.07 5.18 5.03 -1.84 -1.03 117.51 128.84 3hde h ILE 128 Ca 0.46 -0.10 -0.01 0.00 -0.12 0.00 0.00 64.86 65.08 3hde h ILE 128 Cb 0.51 0.49 -0.00 0.00 -3.03 0.00 0.00 36.82 34.78 3hde h ILE 128 CO 1.50 0.06 0.01 0.11 -0.68 0.00 0.00 178.15 179.15 3hde h LYS 129 N 0.30 0.11 -0.18 2.37 6.56 -1.95 -2.41 116.57 121.37 3hde h LYS 129 Ca 0.22 -0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.77 3hde h LYS 129 Cb 0.25 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.88 3hde h LYS 129 CO -0.25 0.33 0.04 0.78 -2.06 0.00 0.00 179.45 178.29 3hde h GLY 130 N -0.12 0.27 1.26 3.86 0.00 -1.91 -0.97 103.07 105.46 3hde h GLY 130 Ca 0.02 -0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 3hde h GLY 130 CO 0.00 0.12 0.12 0.00 0.00 0.00 0.00 176.54 176.78 3hde h ALA 131 N 1.79 1.12 -0.49 3.60 0.00 -0.92 -2.57 119.26 121.79 3hde h ALA 131 Ca 0.06 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 3hde h ALA 131 Cb 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3hde h ALA 131 CO -0.00 0.59 -0.02 0.00 0.00 0.00 0.00 179.25 179.82 3hde h ASP 133 N 0.77 0.12 0.01 0.00 3.32 -1.05 -2.82 116.42 116.77 3hde h ASP 133 Ca 0.15 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 3hde h ASP 133 Cb 0.49 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 3hde h ASP 133 CO 0.02 0.24 -0.00 1.56 -1.72 0.00 0.00 179.24 179.35 3hde h GLN 134 N 0.13 0.00 -0.36 3.56 1.08 -1.13 -1.10 115.11 117.28 3hde h GLN 134 Ca 0.03 0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.33 3hde h GLN 134 Cb 0.27 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 3hde h GLN 134 CO 0.02 0.00 0.28 -0.07 -0.95 0.00 0.00 178.83 178.11 3hde h LEU 135 N 0.00 0.00 -1.86 1.46 3.38 -1.60 -1.11 115.31 115.58 3hde h LEU 135 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3hde h LEU 135 Cb 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3hde h LEU 135 CO 0.00 0.00 -0.14 0.03 0.09 0.00 0.00 178.44 178.43 3hde h ARG 136 N 0.00 0.00 0.00 1.13 3.08 -1.41 -1.95 114.38 115.22 3hde h ARG 136 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3hde h ARG 136 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 3hde h ARG 136 CO -0.00 0.14 0.00 0.54 -1.07 0.00 0.00 179.97 179.57 3hde n ARG 137 N -3.95 0.17 -2.20 0.04 1.74 -0.42 -4.01 116.66 108.03 3hde n ARG 137 Ca -0.02 0.34 -0.39 0.00 -0.77 0.00 0.00 57.85 57.01 3hde n ARG 137 Cb 0.23 -1.79 0.01 0.00 -1.02 0.00 0.00 32.46 29.88 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 -2.11 2.66 -0.70 -1.55 7.02 -0.74 -4.41 117.44 117.60 3hde n TRP 138 Ca 0.03 -2.48 0.02 0.00 -1.02 0.00 0.00 57.50 54.06 3hde n TRP 138 Cb 0.27 -1.34 0.03 0.00 -2.42 0.00 0.00 31.31 27.85 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 0.26 0.83 -4.18 -0.99 -2.24 -1.26 -4.88 114.28 101.83 3hde n THR 139 Ca 0.52 -0.91 -0.31 0.00 -2.27 0.00 0.00 64.05 61.07 3hde n THR 139 Cb 0.28 0.46 -0.08 0.00 -2.10 0.00 0.00 70.33 68.90 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 -1.04 3.09 -0.23 4.78 2.02 -1.26 -1.38 117.35 123.32 3hde s TYR 140 Ca 0.07 0.06 -0.26 0.00 -0.37 0.00 0.00 57.07 56.56 3hde s TYR 140 Cb 0.06 -1.63 0.08 0.00 -0.40 0.00 0.00 41.96 40.08 3hde s TYR 140 CO 0.01 0.49 0.78 0.00 -1.57 0.00 0.00 175.55 175.25 3hde s ALA 141 N -1.22 -1.82 -1.87 3.71 0.00 0.00 -4.91 121.76 115.65 3hde s ALA 141 Ca 0.24 1.88 0.00 0.00 0.00 0.00 0.00 51.96 54.07 3hde s ALA 141 Cb -0.12 -1.02 0.00 0.00 0.00 0.00 0.00 23.12 21.98 3hde s ALA 141 CO 0.15 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.00 3hde n GLY 142 N 2.26 0.05 2.34 0.00 0.00 -1.26 -2.10 105.19 106.48 3hde n GLY 142 Ca -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.89 0.75 3.12 -0.02 0.00 -1.26 -5.02 105.19 101.87 3hde n GLY 143 Ca -0.24 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 3hde n GLY 143 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hde s LYS 144 N -0.07 0.82 0.18 1.61 2.20 -0.89 -5.12 119.74 118.47 3hde s LYS 144 Ca 0.00 -0.71 -0.22 0.00 -0.36 0.00 0.00 55.97 54.67 3hde s LYS 144 Cb 0.00 -0.79 -0.08 0.00 -1.51 0.00 0.00 37.83 35.45 3hde s LYS 144 CO 0.00 0.19 0.73 -1.14 -0.36 0.00 0.00 175.35 174.77 3hde s GLN 145 N -1.13 4.40 -0.10 4.03 0.74 -1.26 -0.82 119.66 125.52 3hde s GLN 145 Ca -0.00 1.00 0.04 0.00 0.05 0.00 0.00 55.36 56.44 3hde s GLN 145 Cb -0.08 -3.11 0.00 0.00 1.10 0.00 0.00 33.01 30.93 3hde s GLN 145 CO 0.01 0.51 -0.22 -1.58 -0.55 0.00 0.00 175.29 173.46 3hde s TRP 146 N -1.29 2.40 0.28 1.67 0.52 -0.48 -4.97 118.94 117.07 3hde s TRP 146 Ca 0.38 -0.99 -0.00 0.00 0.02 0.00 0.00 56.10 55.50 3hde s TRP 146 Cb -0.20 -1.62 0.48 0.00 -1.15 0.00 0.00 33.47 30.98 3hde s TRP 146 CO 0.23 -0.41 1.88 1.57 0.02 0.00 0.00 176.95 180.24 3hde h LYS 147 N 6.78 1.06 -0.32 4.98 -0.00 -1.97 -1.34 116.57 125.75 3hde h LYS 147 Ca -0.21 -0.06 -0.06 0.00 -0.00 0.00 0.00 60.65 60.32 3hde h LYS 147 Cb 1.23 -0.24 -0.02 0.00 -0.00 0.00 0.00 32.23 33.20 3hde h LYS 147 CO 0.47 0.70 -0.05 0.78 -0.00 0.00 0.00 179.45 181.36 3hde h GLY 148 N 1.09 0.55 1.32 0.07 0.00 -1.96 -0.41 103.07 103.73 3hde h GLY 148 Ca 0.44 -0.34 -0.23 0.00 0.00 0.00 0.00 47.33 47.21 3hde h GLY 148 CO -0.19 0.32 -0.86 1.41 0.00 0.00 0.00 176.54 177.22 3hde h LEU 149 N 0.48 0.79 -0.23 3.11 3.38 -1.68 -1.74 115.31 119.43 3hde h LEU 149 Ca 0.10 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3hde h LEU 149 Cb 0.38 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3hde h LEU 149 CO 0.02 1.35 0.15 0.24 0.09 0.00 0.00 178.44 180.29 3hde h MET 150 N 0.41 0.30 -0.29 1.13 2.86 -0.82 0.40 114.93 118.92 3hde h MET 150 Ca -0.07 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3hde h MET 150 Cb 1.48 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 33.06 3hde h MET 150 CO 0.17 0.20 0.17 1.79 1.06 0.00 0.00 176.91 180.29 3hde h THR 151 N 0.31 1.11 -0.97 2.22 1.35 -1.11 -1.42 112.91 114.40 3hde h THR 151 Ca 0.09 -0.27 0.06 0.00 -0.55 0.00 0.00 66.41 65.74 3hde h THR 151 Cb -0.03 0.77 -0.06 0.00 -1.73 0.00 0.00 68.15 67.10 3hde h THR 151 CO -0.02 0.11 0.63 -0.09 -0.25 0.00 0.00 175.52 175.90 3hde h ARG 152 N 0.36 1.10 -0.02 4.72 2.43 -0.90 -2.03 114.38 120.04 3hde h ARG 152 Ca 0.10 -0.07 -0.18 0.00 -0.81 0.00 0.00 59.98 59.02 3hde h ARG 152 Cb 0.03 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 3hde h ARG 152 CO -0.02 0.72 -0.80 0.00 -1.51 0.00 0.00 179.97 178.37 3hde h ARG 153 N 1.13 0.23 -0.67 0.20 2.47 -0.72 -1.49 114.38 115.54 3hde h ARG 153 Ca 0.42 -0.22 -0.03 0.00 -1.26 0.00 0.00 59.98 58.88 3hde h ARG 153 Cb 0.18 0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.52 3hde h ARG 153 CO -0.16 0.92 0.29 0.93 0.56 0.00 0.00 179.97 182.51 3hde h GLU 154 N 0.14 0.96 -0.14 0.04 4.39 -0.71 0.27 114.58 119.54 3hde h GLU 154 Ca -0.04 -0.14 -0.12 0.00 0.34 0.00 0.00 59.36 59.40 3hde h GLU 154 Cb 1.39 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 3hde h GLU 154 CO 0.12 0.76 -0.38 0.82 -1.16 0.00 0.00 179.01 179.18 3hde h ILE 155 N 0.95 1.36 -0.60 3.13 2.04 -1.28 -1.79 117.51 121.32 3hde h ILE 155 Ca 0.23 -1.66 -0.03 0.00 1.00 0.00 0.00 64.86 64.39 3hde h ILE 155 Cb 0.14 2.05 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 3hde h ILE 155 CO -0.03 0.50 0.24 -0.33 0.00 0.00 0.00 178.15 178.54 3hde h GLU 156 N 0.12 0.88 -0.82 2.37 5.08 -1.14 -2.18 114.58 118.89 3hde h GLU 156 Ca -0.01 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 3hde h GLU 156 Cb 1.00 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.05 3hde h GLU 156 CO 0.08 0.72 0.39 -0.09 -1.00 0.00 0.00 179.01 179.11 3hde h ARG 157 N 0.87 1.19 -0.32 2.33 2.43 -0.34 -0.74 114.38 119.78 3hde h ARG 157 Ca 0.21 -0.18 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 3hde h ARG 157 Cb 0.17 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3hde h ARG 157 CO -0.02 0.92 -0.02 0.93 -1.51 0.00 0.00 179.97 180.27 3hde h GLU 158 N 1.17 0.59 -0.39 0.20 5.08 -0.71 -1.14 114.58 119.37 3hde h GLU 158 Ca 0.28 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 3hde h GLU 158 Cb 0.13 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3hde h GLU 158 CO -0.03 0.73 -0.02 0.82 -1.00 0.00 0.00 179.01 179.50 3hde h ILE 159 N 0.38 1.22 -0.77 3.13 1.08 -1.37 -1.41 117.51 119.78 3hde h ILE 159 Ca 0.09 -0.92 0.11 0.00 -0.39 0.00 0.00 64.86 63.75 3hde h ILE 159 Cb 0.47 0.95 -0.08 0.00 -3.07 0.00 0.00 36.82 35.10 3hde h ILE 159 CO 0.02 0.32 0.40 0.00 -0.69 0.00 0.00 178.15 178.19 3hde n LEU 161 N -4.84 2.08 -0.30 0.00 4.77 -0.49 -4.28 117.00 113.94 3hde n LEU 161 Ca 0.13 -0.84 0.13 0.00 -0.03 0.00 0.00 56.01 55.40 3hde n LEU 161 Cb 0.32 -0.11 0.30 0.00 -2.33 0.00 0.00 43.42 41.60 3hde n LEU 161 CO 0.24 0.42 1.02 -0.25 -1.33 0.00 0.00 177.39 177.49 3hde h TRP 162 N 2.84 0.58 0.01 -1.77 2.91 -0.34 -1.31 115.95 118.87 3hde h TRP 162 Ca 0.00 0.04 -0.00 0.00 1.13 0.00 0.00 58.89 60.06 3hde h TRP 162 Cb 0.62 -0.11 0.00 0.00 -0.51 0.00 0.00 29.16 29.15 3hde h TRP 162 CO 0.11 -0.09 -0.01 0.78 -1.03 0.00 0.00 178.44 178.20 3hde h GLY 163 N 0.35 -0.02 -3.52 2.65 0.00 -1.80 -3.37 103.07 97.36 3hde h GLY 163 Ca 0.56 0.01 -0.38 0.00 0.00 0.00 0.00 47.33 47.51 3hde h GLY 163 CO -0.56 -0.01 0.49 -1.06 0.00 0.00 0.00 176.54 175.41 3hde n GLN 164 N -4.83 1.95 0.00 4.80 6.02 -0.50 -5.20 117.38 119.61 3hde n GLN 164 Ca -0.09 -1.90 0.00 0.00 -0.01 0.00 0.00 57.00 55.01 3hde n GLN 164 Cb 0.28 -1.74 0.00 0.00 1.02 0.00 0.00 30.24 29.79 3hde n GLN 164 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05