#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r8d s LYS 2 N 0.00 2.39 0.06 2.12 3.01 -1.26 -4.35 119.74 121.71 1r8d s LYS 2 Ca 0.00 -1.28 0.04 0.00 -1.01 0.00 0.00 55.97 53.72 1r8d s LYS 2 Cb 0.00 -2.27 -0.03 0.00 -1.01 0.00 0.00 37.83 34.53 1r8d s LYS 2 CO 0.00 0.40 -0.12 0.71 0.51 0.00 0.00 175.35 176.84 1r8d s TYR 3 N -2.11 1.07 0.22 3.18 1.51 0.69 -4.90 117.35 117.01 1r8d s TYR 3 Ca 0.30 -0.44 0.09 0.00 -1.01 0.00 0.00 57.07 56.01 1r8d s TYR 3 Cb -0.07 -0.62 -0.04 0.00 -0.11 0.00 0.00 41.96 41.12 1r8d s TYR 3 CO 0.20 0.02 -0.03 1.14 -1.11 0.00 0.00 175.55 175.77 1r8d s GLN 4 N -1.55 2.26 0.01 -0.62 -2.07 -1.26 0.10 119.66 116.53 1r8d s GLN 4 Ca -0.03 -1.30 -0.02 0.00 -1.82 0.00 0.00 55.36 52.20 1r8d s GLN 4 Cb -0.09 -2.21 -0.00 0.00 -1.09 0.00 0.00 33.01 29.61 1r8d s GLN 4 CO 0.02 0.41 0.22 1.33 -1.32 0.00 0.00 175.29 175.94 1r8d n VAL 5 N -0.44 -0.04 -0.35 3.63 0.24 -1.26 -0.24 118.33 119.88 1r8d n VAL 5 Ca -0.08 0.33 0.02 0.00 -2.04 0.00 0.00 64.34 62.57 1r8d n VAL 5 Cb 0.57 -0.43 0.08 0.00 -1.47 0.00 0.00 33.84 32.58 1r8d n VAL 5 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1r8d n LYS 6 N -2.75 -0.16 -0.06 7.34 3.00 -1.26 0.64 118.16 124.92 1r8d n LYS 6 Ca 0.00 1.43 -0.12 0.00 -0.00 0.00 0.00 58.31 59.63 1r8d n LYS 6 Cb 0.01 -2.13 -0.06 0.00 0.00 0.00 0.00 35.03 32.85 1r8d n LYS 6 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1r8d h GLN 7 N 0.00 0.31 -0.74 1.64 4.20 -1.01 -1.66 115.11 117.85 1r8d h GLN 7 Ca 0.37 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 1r8d h GLN 7 Cb 0.60 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.33 1r8d h GLN 7 CO -0.93 0.58 0.42 0.28 -0.67 0.00 0.00 178.83 178.50 1r8d h VAL 8 N 0.02 1.22 -0.46 -0.54 2.07 -0.38 0.91 116.25 119.08 1r8d h VAL 8 Ca 0.04 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.05 1r8d h VAL 8 Cb 0.46 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1r8d h VAL 8 CO 0.02 0.23 0.30 0.00 0.02 0.00 0.00 177.57 178.14 1r8d h ALA 9 N 1.22 0.58 -0.25 1.67 0.00 0.28 -1.29 119.26 121.47 1r8d h ALA 9 Ca 0.26 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1r8d h ALA 9 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1r8d h ALA 9 CO -0.05 0.02 0.11 1.49 0.00 0.00 0.00 179.25 180.82 1r8d h GLU 10 N 0.61 0.36 -0.79 0.00 4.81 -0.57 0.19 114.58 119.20 1r8d h GLU 10 Ca 0.17 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1r8d h GLU 10 Cb -0.06 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.22 1r8d h GLU 10 CO -0.04 0.39 0.36 0.82 -0.73 0.00 0.00 179.01 179.81 1r8d h ILE 11 N 0.26 1.25 0.00 2.32 2.04 -0.69 -3.27 117.51 119.42 1r8d h ILE 11 Ca 0.08 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1r8d h ILE 11 Cb 0.15 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1r8d h ILE 11 CO -0.01 0.30 -1.13 -1.54 0.00 0.00 0.00 178.15 175.78 1r8d n SER 12 N -4.31 0.63 0.00 1.72 3.41 -0.50 -4.99 113.62 109.59 1r8d n SER 12 Ca 0.08 -0.43 0.00 0.00 -0.26 0.00 0.00 58.87 58.25 1r8d n SER 12 Cb 0.15 1.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.10 1r8d n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r8d n GLY 13 N 1.40 1.46 3.97 5.00 0.00 0.66 -5.03 105.19 112.65 1r8d n GLY 13 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1r8d n GLY 13 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1r8d s VAL 14 N -3.44 3.98 0.58 1.61 -7.23 -1.19 -5.02 120.40 109.69 1r8d s VAL 14 Ca 0.00 -0.67 -0.09 0.00 -1.81 0.00 0.00 61.98 59.40 1r8d s VAL 14 Cb 0.00 -3.44 -0.04 0.00 0.56 0.00 0.00 36.38 33.46 1r8d s VAL 14 CO 0.00 -0.26 0.96 -0.94 -0.31 0.00 0.00 175.10 174.55 1r8d s SER 15 N -4.21 6.24 0.19 4.85 1.04 -1.26 -4.44 113.70 116.11 1r8d s SER 15 Ca 0.47 1.28 -0.12 0.00 0.48 0.00 0.00 55.95 58.07 1r8d s SER 15 Cb -0.10 -2.41 0.11 0.00 0.10 0.00 0.00 66.02 63.73 1r8d s SER 15 CO 0.36 -0.78 1.83 0.40 0.98 0.00 0.00 173.24 176.02 1r8d h ILE 16 N -0.15 1.20 -0.92 -1.02 2.04 -1.94 -0.40 117.51 116.32 1r8d h ILE 16 Ca -0.45 -0.45 0.21 0.00 1.00 0.00 0.00 64.86 65.17 1r8d h ILE 16 Cb 1.19 0.29 -0.07 0.00 -0.74 0.00 0.00 36.82 37.50 1r8d h ILE 16 CO 0.62 0.21 0.61 -0.09 0.00 0.00 0.00 178.15 179.49 1r8d h ARG 17 N 0.90 0.41 -0.31 2.37 9.65 -2.00 0.17 114.38 125.58 1r8d h ARG 17 Ca 0.24 -0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 59.04 1r8d h ARG 17 Cb -0.01 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.46 1r8d h ARG 17 CO -0.04 0.27 -0.01 1.15 2.80 0.00 0.00 179.97 184.14 1r8d h THR 18 N 0.42 1.26 -0.94 0.20 2.02 -1.45 -0.55 112.91 113.87 1r8d h THR 18 Ca 0.48 -0.97 0.02 0.00 0.77 0.00 0.00 66.41 66.71 1r8d h THR 18 Cb 1.19 1.29 -0.05 0.00 -1.74 0.00 0.00 68.15 68.84 1r8d h THR 18 CO -0.19 0.31 0.62 -0.07 0.37 0.00 0.00 175.52 176.56 1r8d h LEU 19 N 0.34 1.06 0.41 2.58 3.38 -0.25 0.14 115.31 122.98 1r8d h LEU 19 Ca 0.08 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1r8d h LEU 19 Cb 0.46 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1r8d h LEU 19 CO 0.02 0.76 -0.20 0.45 0.09 0.00 0.00 178.44 179.56 1r8d h HIS 20 N 1.25 -0.52 -0.57 1.13 3.86 -0.85 -0.33 115.15 119.12 1r8d h HIS 20 Ca 0.35 -0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.65 1r8d h HIS 20 Cb -0.11 0.17 -0.08 0.00 1.06 0.00 0.00 27.41 28.45 1r8d h HIS 20 CO -0.01 -0.27 0.14 1.25 0.86 0.00 0.00 177.93 179.90 1r8d h HIS 21 N -0.64 0.22 0.00 2.45 -0.00 -0.71 0.57 115.15 117.04 1r8d h HIS 21 Ca -0.06 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.33 1r8d h HIS 21 Cb 0.48 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 27.87 1r8d h HIS 21 CO -0.03 -0.00 -0.10 1.88 -0.00 0.00 0.00 177.93 179.68 1r8d h TYR 22 N 0.28 0.00 0.00 5.26 -1.99 -0.53 -0.91 116.97 119.08 1r8d h TYR 22 Ca 0.30 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.01 1r8d h TYR 22 Cb 0.42 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.15 1r8d h TYR 22 CO -0.23 0.10 -0.05 0.22 -0.00 0.00 0.00 178.16 178.20 1r8d h ASP 23 N 0.00 0.04 -0.70 3.88 3.58 0.17 0.42 116.42 123.82 1r8d h ASP 23 Ca -0.00 -0.80 0.07 0.00 0.42 0.00 0.00 57.03 56.72 1r8d h ASP 23 Cb 0.37 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.36 1r8d h ASP 23 CO 0.01 0.84 0.46 0.78 -2.88 0.00 0.00 179.24 178.45 1r8d h ASN 24 N -0.74 0.62 1.59 2.28 2.35 0.21 -1.51 115.58 120.38 1r8d h ASN 24 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1r8d h ASN 24 Cb 0.84 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.08 1r8d h ASN 24 CO 0.01 0.40 0.00 0.40 -1.65 0.00 0.00 177.43 176.59 1r8d h ILE 25 N 0.71 0.00 -0.00 2.81 2.04 -1.26 -3.47 117.51 118.33 1r8d h ILE 25 Ca 0.30 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1r8d h ILE 25 Cb 0.28 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1r8d h ILE 25 CO -0.10 0.00 -0.00 1.21 0.00 0.00 0.00 178.15 179.26 1r8d n GLU 26 N -2.54 -0.01 -0.03 2.37 4.07 -0.57 -4.92 120.64 119.01 1r8d n GLU 26 Ca 0.05 0.27 -0.14 0.00 -0.06 0.00 0.00 57.16 57.28 1r8d n GLU 26 Cb 0.45 -3.55 -0.10 0.00 -0.06 0.00 0.00 31.44 28.18 1r8d n GLU 26 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1r8d h LEU 27 N 0.00 0.22 -6.95 4.31 5.85 -1.35 -3.42 115.31 113.98 1r8d h LEU 27 Ca -0.00 -0.69 -0.53 0.00 0.84 0.00 0.00 57.88 57.50 1r8d h LEU 27 Cb 0.00 -0.07 -0.40 0.00 0.37 0.00 0.00 40.66 40.57 1r8d h LEU 27 CO 0.00 0.88 -0.77 -0.22 -0.34 0.00 0.00 178.44 177.99 1r8d s LEU 28 N -8.71 0.98 -0.22 2.25 2.96 -0.02 -4.99 118.68 110.93 1r8d s LEU 28 Ca -0.16 -1.26 -0.10 0.00 -0.22 0.00 0.00 54.13 52.39 1r8d s LEU 28 Cb 0.02 -0.48 -0.05 0.00 0.50 0.00 0.00 46.19 46.17 1r8d s LEU 28 CO 0.74 -0.41 0.16 0.20 -1.32 0.00 0.00 176.35 175.71 1r8d s ASN 29 N 1.97 6.17 0.78 3.68 0.02 -1.26 -3.29 114.94 123.01 1r8d s ASN 29 Ca 0.08 0.18 -0.15 0.00 -1.02 0.00 0.00 52.86 51.94 1r8d s ASN 29 Cb -0.16 -2.10 -0.03 0.00 0.02 0.00 0.00 41.25 38.97 1r8d s ASN 29 CO -0.29 0.11 0.43 -2.65 0.02 0.00 0.00 177.10 174.72 1r8d n PRO 30 N 3.96 0.15 0.20 -0.60 -0.02 -1.26 -4.89 135.00 132.54 1r8d n PRO 30 Ca -0.15 0.09 0.10 0.00 -2.02 0.00 0.00 63.50 61.51 1r8d n PRO 30 Cb 0.52 -1.78 0.19 0.00 -0.02 0.00 0.00 33.50 32.41 1r8d n PRO 30 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1r8d h SER 31 N -0.66 0.00 -5.12 2.55 4.64 -1.81 -3.48 113.55 109.67 1r8d h SER 31 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1r8d h SER 31 Cb 1.33 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.35 1r8d h SER 31 CO 0.40 0.15 0.05 0.00 -0.87 0.00 0.00 176.83 176.56 1r8d s ALA 32 N -3.20 -0.73 0.01 5.18 0.00 -0.78 -5.03 121.76 117.20 1r8d s ALA 32 Ca 0.05 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.43 1r8d s ALA 32 Cb 0.06 0.96 -0.01 0.00 0.00 0.00 0.00 23.12 24.14 1r8d s ALA 32 CO 0.68 -0.94 -0.02 -0.51 0.00 0.00 0.00 175.76 174.97 1r8d s LEU 33 N -2.97 2.06 0.61 0.00 1.02 -1.26 -0.67 118.68 117.48 1r8d s LEU 33 Ca 0.17 -0.14 -0.09 0.00 0.02 0.00 0.00 54.13 54.09 1r8d s LEU 33 Cb -0.03 -0.03 -0.01 0.00 0.02 0.00 0.00 46.19 46.13 1r8d s LEU 33 CO 0.08 -0.06 0.96 0.42 0.02 0.00 0.00 176.35 177.77 1r8d s THR 34 N -0.37 4.10 0.58 5.49 -4.23 -0.24 -4.86 115.64 116.11 1r8d s THR 34 Ca -0.03 0.38 0.29 0.00 -1.18 0.00 0.00 61.69 61.15 1r8d s THR 34 Cb -0.03 -3.64 0.39 0.00 1.34 0.00 0.00 72.50 70.57 1r8d s THR 34 CO -0.00 -0.75 1.90 0.44 -0.54 0.00 0.00 174.62 175.67 1r8d h ASP 35 N -0.27 0.00 -0.09 3.99 3.32 -2.02 1.33 116.42 122.69 1r8d h ASP 35 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1r8d h ASP 35 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1r8d h ASP 35 CO 0.62 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 178.14 1r8d n ALA 36 N -2.40 2.55 0.00 3.45 0.00 -1.26 -4.93 120.51 117.91 1r8d n ALA 36 Ca 0.09 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1r8d n ALA 36 Cb 0.69 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1r8d n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r8d n GLY 37 N 1.15 1.02 3.67 0.00 0.00 0.46 -5.04 105.19 106.45 1r8d n GLY 37 Ca 0.18 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.74 1r8d n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1r8d n TYR 38 N -2.00 2.20 -2.45 1.61 4.02 -1.25 -4.55 117.16 114.73 1r8d n TYR 38 Ca 0.00 0.35 -0.42 0.00 -0.01 0.00 0.00 57.90 57.82 1r8d n TYR 38 Cb 0.00 -2.50 -0.03 0.00 -0.02 0.00 0.00 39.34 36.79 1r8d n TYR 38 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1r8d s ARG 39 N 0.33 4.44 -0.22 -0.72 0.52 -1.26 -1.08 118.95 120.96 1r8d s ARG 39 Ca 0.74 1.73 0.02 0.00 -0.52 0.00 0.00 55.73 57.70 1r8d s ARG 39 Cb -0.68 -3.37 0.04 0.00 0.52 0.00 0.00 34.95 31.46 1r8d s ARG 39 CO 0.43 -0.25 -0.16 -0.51 0.02 0.00 0.00 175.30 174.83 1r8d s LEU 40 N 1.15 2.77 -0.07 2.53 1.43 0.16 -4.20 118.68 122.45 1r8d s LEU 40 Ca 0.58 -1.01 -0.09 0.00 -1.03 0.00 0.00 54.13 52.58 1r8d s LEU 40 Cb -0.28 -1.51 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 1r8d s LEU 40 CO 0.29 -0.09 0.24 -0.31 0.23 0.00 0.00 176.35 176.70 1r8d s TYR 41 N 1.20 3.64 0.41 0.29 1.51 0.28 -1.87 117.35 122.81 1r8d s TYR 41 Ca -0.02 0.67 0.06 0.00 -1.01 0.00 0.00 57.07 56.77 1r8d s TYR 41 Cb -0.16 -2.05 0.01 0.00 -0.11 0.00 0.00 41.96 39.64 1r8d s TYR 41 CO -0.09 0.69 0.58 -1.54 -1.11 0.00 0.00 175.55 174.08 1r8d s SER 42 N -1.14 5.73 0.37 2.29 1.04 -1.26 -0.22 113.70 120.51 1r8d s SER 42 Ca 0.19 -0.19 0.06 0.00 0.48 0.00 0.00 55.95 56.49 1r8d s SER 42 Cb -0.14 -1.00 0.77 0.00 0.10 0.00 0.00 66.02 65.75 1r8d s SER 42 CO 0.08 -0.69 1.99 0.44 0.98 0.00 0.00 173.24 176.04 1r8d h ASP 43 N 0.61 0.62 -0.43 7.02 3.32 -2.00 0.42 116.42 125.98 1r8d h ASP 43 Ca -0.43 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.61 1r8d h ASP 43 Cb 1.27 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 1r8d h ASP 43 CO 0.50 0.41 0.26 0.00 -1.72 0.00 0.00 179.24 178.70 1r8d h ALA 44 N 1.64 0.55 -0.61 3.45 0.00 -1.96 -0.93 119.26 121.39 1r8d h ALA 44 Ca 0.27 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.22 1r8d h ALA 44 Cb 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1r8d h ALA 44 CO -0.08 0.04 0.41 -0.44 0.00 0.00 0.00 179.25 179.19 1r8d h ASP 45 N 0.57 0.39 -0.16 0.00 3.32 -1.32 -0.69 116.42 118.53 1r8d h ASP 45 Ca 0.16 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.06 1r8d h ASP 45 Cb 0.00 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1r8d h ASP 45 CO -0.03 0.23 -0.43 -0.07 -1.72 0.00 0.00 179.24 177.22 1r8d h LEU 46 N 0.43 0.76 0.23 1.55 3.38 -0.37 0.06 115.31 121.35 1r8d h LEU 46 Ca 0.28 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1r8d h LEU 46 Cb 0.54 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1r8d h LEU 46 CO -0.08 1.08 -0.11 -0.33 0.09 0.00 0.00 178.44 179.09 1r8d h GLU 47 N 0.57 -0.30 -0.61 1.13 5.08 -0.38 -0.74 114.58 119.34 1r8d h GLU 47 Ca 0.04 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.54 1r8d h GLU 47 Cb 0.98 0.07 -0.12 0.00 0.50 0.00 0.00 28.75 30.18 1r8d h GLU 47 CO 0.09 -0.03 -0.18 -0.09 -1.00 0.00 0.00 179.01 177.80 1r8d h ARG 48 N -0.56 -0.03 -0.92 2.33 9.65 -1.10 0.19 114.38 123.94 1r8d h ARG 48 Ca -0.03 0.00 0.05 0.00 -1.10 0.00 0.00 59.98 58.90 1r8d h ARG 48 Cb 0.41 0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.94 1r8d h ARG 48 CO 0.05 -0.02 0.60 1.25 2.80 0.00 0.00 179.97 184.65 1r8d h LEU 49 N -0.03 0.97 -0.75 3.80 5.85 -0.73 0.52 115.31 124.93 1r8d h LEU 49 Ca 0.29 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.92 1r8d h LEU 49 Cb 0.47 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1r8d h LEU 49 CO -0.64 0.65 -0.02 1.56 -0.34 0.00 0.00 178.44 179.65 1r8d h GLN 50 N 1.11 0.93 -0.22 1.25 1.08 0.84 0.12 115.11 120.22 1r8d h GLN 50 Ca 0.38 -0.28 -0.11 0.00 -1.45 0.00 0.00 58.65 57.18 1r8d h GLN 50 Cb 0.08 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.42 1r8d h GLN 50 CO -0.13 0.93 -0.30 1.96 -0.95 0.00 0.00 178.83 180.35 1r8d h GLN 51 N 0.85 0.60 -0.24 1.46 4.20 -0.41 0.81 115.11 122.39 1r8d h GLN 51 Ca 0.15 -0.34 -0.06 0.00 0.06 0.00 0.00 58.65 58.46 1r8d h GLN 51 Cb 0.53 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1r8d h GLN 51 CO 0.03 0.95 -0.12 -0.84 -0.67 0.00 0.00 178.83 178.17 1r8d h ILE 52 N 0.29 1.21 -0.23 2.54 -0.00 -0.78 -0.90 117.51 119.64 1r8d h ILE 52 Ca 0.03 -0.92 -0.13 0.00 -0.00 0.00 0.00 64.86 63.84 1r8d h ILE 52 Cb 0.87 1.16 -0.01 0.00 -0.00 0.00 0.00 36.82 38.84 1r8d h ILE 52 CO 0.07 0.30 -0.38 0.25 -0.00 0.00 0.00 178.15 178.39 1r8d h LEU 53 N 0.37 0.56 0.15 0.16 5.85 -0.69 -1.68 115.31 120.04 1r8d h LEU 53 Ca 0.07 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1r8d h LEU 53 Cb 0.44 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1r8d h LEU 53 CO 0.03 0.89 -0.07 0.15 -0.34 0.00 0.00 178.44 179.09 1r8d h PHE 54 N 0.44 -0.19 -0.46 1.25 3.57 -0.03 -2.61 116.94 118.91 1r8d h PHE 54 Ca 0.04 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.67 1r8d h PHE 54 Cb 0.87 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 1r8d h PHE 54 CO 0.03 0.19 0.39 0.74 -2.23 0.00 0.00 178.31 177.43 1r8d h PHE 55 N -0.61 0.00 -0.47 0.41 -1.00 -1.12 0.26 116.94 114.42 1r8d h PHE 55 Ca -0.02 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.67 1r8d h PHE 55 Cb 0.46 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.00 1r8d h PHE 55 CO 0.05 0.00 -0.06 0.87 -1.61 0.00 0.00 178.31 177.56 1r8d h LYS 56 N 0.00 0.82 -0.25 1.51 1.79 -0.95 -2.68 116.57 116.81 1r8d h LYS 56 Ca 0.22 -0.25 -0.05 0.00 -2.18 0.00 0.00 60.65 58.39 1r8d h LYS 56 Cb 0.99 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.55 1r8d h LYS 56 CO -0.00 0.86 -0.05 0.93 -1.08 0.00 0.00 179.45 180.11 1r8d h GLU 57 N 0.75 0.39 0.00 3.15 5.08 -0.13 -1.47 114.58 122.35 1r8d h GLU 57 Ca 0.13 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1r8d h GLU 57 Cb 0.55 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1r8d h GLU 57 CO 0.03 0.46 0.00 -0.89 -1.00 0.00 0.00 179.01 177.61 1r8d n ILE 58 N -4.29 0.03 -0.50 3.13 5.41 -1.09 -4.90 119.36 117.15 1r8d n ILE 58 Ca 0.00 0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1r8d n ILE 58 Cb 0.25 -0.56 0.00 0.00 -0.71 0.00 0.00 39.64 38.61 1r8d n ILE 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1r8d n GLY 59 N 0.83 0.75 3.69 7.39 0.00 -0.55 -4.96 105.19 112.35 1r8d n GLY 59 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1r8d n GLY 59 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r8d s PHE 60 N -2.41 2.19 0.16 1.61 0.40 -1.03 -5.03 117.98 113.87 1r8d s PHE 60 Ca 0.00 1.20 0.04 0.00 -0.60 0.00 0.00 56.93 57.57 1r8d s PHE 60 Cb 0.00 -3.19 -0.04 0.00 0.51 0.00 0.00 43.02 40.31 1r8d s PHE 60 CO 0.00 -2.62 0.20 1.03 0.70 0.00 0.00 175.22 174.54 1r8d s ARG 61 N -4.91 3.14 0.36 0.44 0.52 -1.26 -4.70 118.95 112.54 1r8d s ARG 61 Ca 0.64 -0.75 0.14 0.00 -0.52 0.00 0.00 55.73 55.24 1r8d s ARG 61 Cb -0.19 -2.79 1.00 0.00 0.52 0.00 0.00 34.95 33.50 1r8d s ARG 61 CO 0.58 0.50 1.74 -0.07 0.02 0.00 0.00 175.30 178.07 1r8d h LEU 62 N 2.28 0.56 -0.34 2.53 3.38 -1.98 0.33 115.31 122.08 1r8d h LEU 62 Ca -0.48 0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.53 1r8d h LEU 62 Cb 1.20 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1r8d h LEU 62 CO 0.65 0.08 -0.07 -2.24 0.09 0.00 0.00 178.44 176.96 1r8d h ASP 63 N 0.48 0.65 -0.45 -0.43 2.03 -1.98 0.27 116.42 116.99 1r8d h ASP 63 Ca 0.63 -0.36 -0.07 0.00 -0.73 0.00 0.00 57.03 56.50 1r8d h ASP 63 Cb 1.40 -0.18 -0.02 0.00 -0.83 0.00 0.00 39.33 39.70 1r8d h ASP 63 CO -0.40 0.85 -0.00 -0.33 -1.03 0.00 0.00 179.24 178.33 1r8d h GLU 64 N 0.43 0.80 -0.46 4.15 5.08 -1.10 -0.21 114.58 123.26 1r8d h GLU 64 Ca 0.09 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1r8d h GLU 64 Cb 0.56 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1r8d h GLU 64 CO 0.03 0.86 0.21 0.82 -1.00 0.00 0.00 179.01 179.92 1r8d h ILE 65 N 0.64 1.20 0.69 3.13 2.04 -0.40 -1.20 117.51 123.61 1r8d h ILE 65 Ca 0.13 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 1r8d h ILE 65 Cb 0.50 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1r8d h ILE 65 CO 0.02 0.22 -0.46 0.50 0.00 0.00 0.00 178.15 178.43 1r8d h LYS 66 N 0.61 -1.05 -0.35 2.37 3.64 -0.25 -0.23 116.57 121.31 1r8d h LYS 66 Ca 0.16 0.07 0.10 0.00 -1.27 0.00 0.00 60.65 59.71 1r8d h LYS 66 Cb 0.15 0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1r8d h LYS 66 CO -0.02 -0.70 0.33 0.93 -2.27 0.00 0.00 179.45 177.72 1r8d h GLU 67 N -1.09 0.00 0.05 1.90 5.08 -0.95 0.31 114.58 119.87 1r8d h GLU 67 Ca -0.09 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.02 1r8d h GLU 67 Cb 0.88 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1r8d h GLU 67 CO 0.07 0.00 -1.24 0.52 -1.00 0.00 0.00 179.01 177.36 1r8d h MET 68 N 0.00 0.10 0.15 2.33 2.86 -0.71 -2.36 114.93 117.29 1r8d h MET 68 Ca 0.17 -0.17 -0.31 0.00 -2.06 0.00 0.00 59.70 57.33 1r8d h MET 68 Cb 0.82 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.55 1r8d h MET 68 CO -0.00 0.99 -1.51 -0.07 1.06 0.00 0.00 176.91 177.38 1r8d h LEU 69 N 0.03 0.48 -0.37 1.22 3.38 0.56 -3.27 115.31 117.34 1r8d h LEU 69 Ca -0.11 -0.62 -0.06 0.00 0.09 0.00 0.00 57.88 57.18 1r8d h LEU 69 Cb 1.89 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.47 1r8d h LEU 69 CO 0.14 1.51 -0.27 0.44 0.09 0.00 0.00 178.44 180.35 1r8d h ASP 70 N 0.08 0.00 -2.77 -0.43 3.32 -0.59 -3.37 116.42 112.66 1r8d h ASP 70 Ca -0.24 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.20 1r8d h ASP 70 Cb 2.04 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 41.19 1r8d h ASP 70 CO 0.18 0.27 -0.74 1.41 -1.72 0.00 0.00 179.24 178.65 1r8d n HIS 71 N -3.23 1.56 -0.28 4.55 8.25 -0.89 -4.97 115.22 120.21 1r8d n HIS 71 Ca 0.02 -3.90 0.13 0.00 -0.26 0.00 0.00 57.72 53.70 1r8d n HIS 71 Cb 0.58 -0.27 0.38 0.00 1.12 0.00 0.00 29.99 31.81 1r8d n HIS 71 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1r8d h PRO 72 N 5.45 0.66 -1.14 -0.41 0.11 -1.73 -2.20 132.00 132.74 1r8d h PRO 72 Ca 0.20 -0.04 0.32 0.00 0.11 0.00 0.00 66.00 66.59 1r8d h PRO 72 Cb 0.81 -0.15 -0.08 0.00 0.11 0.00 0.00 31.00 31.70 1r8d h PRO 72 CO 0.58 0.44 0.77 -2.95 -0.21 0.00 0.00 178.00 176.63 1r8d h ASN 73 N 0.68 0.23 -1.08 -2.05 -1.07 -1.93 -3.41 115.58 106.95 1r8d h ASN 73 Ca 0.46 0.05 -0.65 0.00 0.07 0.00 0.00 56.30 56.24 1r8d h ASN 73 Cb 0.77 0.02 -0.02 0.00 -2.07 0.00 0.00 38.32 37.02 1r8d h ASN 73 CO -0.22 0.02 1.45 0.33 0.07 0.00 0.00 177.43 179.09 1r8d n PHE 74 N -4.43 1.54 -1.67 4.14 7.35 -0.83 -4.82 117.46 118.74 1r8d n PHE 74 Ca 0.27 0.27 -0.55 0.00 -0.76 0.00 0.00 57.45 56.67 1r8d n PHE 74 Cb 1.10 -2.53 -0.07 0.00 0.35 0.00 0.00 39.48 38.33 1r8d n PHE 74 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1r8d n ASP 75 N 10.31 2.19 0.06 -2.13 2.03 -1.26 -4.89 116.55 122.86 1r8d n ASP 75 Ca 0.42 1.09 -0.16 0.00 0.52 0.00 0.00 54.79 56.65 1r8d n ASP 75 Cb 0.24 -1.18 -0.14 0.00 -0.72 0.00 0.00 41.12 39.32 1r8d n ASP 75 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1r8d h ARG 76 N 6.33 0.23 0.12 -0.67 3.08 -1.89 -3.32 114.38 118.27 1r8d h ARG 76 Ca -0.47 -0.39 0.02 0.00 0.07 0.00 0.00 59.98 59.21 1r8d h ARG 76 Cb 1.32 0.15 -0.04 0.00 0.08 0.00 0.00 29.97 31.47 1r8d h ARG 76 CO 0.89 1.08 -0.40 0.87 -1.07 0.00 0.00 179.97 181.35 1r8d h LYS 77 N 0.06 -0.61 -0.63 0.04 1.79 -1.99 0.25 116.57 115.48 1r8d h LYS 77 Ca -0.24 0.04 0.09 0.00 -2.18 0.00 0.00 60.65 58.36 1r8d h LYS 77 Cb 2.01 0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 32.76 1r8d h LYS 77 CO 0.15 -0.41 0.42 0.00 -1.08 0.00 0.00 179.45 178.54 1r8d h ALA 78 N -0.11 1.93 -0.15 3.86 0.00 -1.99 -0.88 119.26 121.92 1r8d h ALA 78 Ca 0.02 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1r8d h ALA 78 Cb 0.66 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1r8d h ALA 78 CO -0.23 -0.06 -0.36 0.00 0.00 0.00 0.00 179.25 178.60 1r8d h ALA 79 N 1.68 0.24 -0.29 0.00 0.00 -1.42 -1.15 119.26 118.32 1r8d h ALA 79 Ca 0.29 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1r8d h ALA 79 Cb 0.46 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1r8d h ALA 79 CO -0.09 0.31 0.02 -0.07 0.00 0.00 0.00 179.25 179.43 1r8d h LEU 80 N 0.13 0.39 0.10 0.00 3.38 0.30 -0.65 115.31 118.96 1r8d h LEU 80 Ca -0.00 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1r8d h LEU 80 Cb 0.97 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1r8d h LEU 80 CO 0.08 0.45 -0.05 1.56 0.09 0.00 0.00 178.44 180.57 1r8d h GLN 81 N 0.42 -0.13 -0.73 1.13 4.20 -1.15 -2.49 115.11 116.36 1r8d h GLN 81 Ca 0.10 0.01 0.15 0.00 0.06 0.00 0.00 58.65 58.97 1r8d h GLN 81 Cb 0.25 0.03 -0.11 0.00 0.30 0.00 0.00 27.48 27.95 1r8d h GLN 81 CO 0.00 0.33 0.19 0.77 -0.67 0.00 0.00 178.83 179.45 1r8d h SER 82 N -0.92 0.04 -0.89 1.46 0.02 -1.16 0.69 113.55 112.79 1r8d h SER 82 Ca -0.01 0.14 0.03 0.00 -0.84 0.00 0.00 61.79 61.11 1r8d h SER 82 Cb 0.52 0.18 -0.05 0.00 0.14 0.00 0.00 62.40 63.19 1r8d h SER 82 CO 0.02 -0.02 0.58 -0.61 -1.14 0.00 0.00 176.83 175.67 1r8d h GLN 83 N 0.29 1.08 0.37 3.45 5.75 -1.18 0.22 115.11 125.09 1r8d h GLN 83 Ca 0.41 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.82 1r8d h GLN 83 Cb 0.68 -0.24 0.00 0.00 1.07 0.00 0.00 27.48 28.99 1r8d h GLN 83 CO -0.49 0.72 -0.18 -0.22 -2.65 0.00 0.00 178.83 176.01 1r8d h LYS 84 N 1.12 -0.48 -0.53 1.69 3.64 0.69 0.34 116.57 123.04 1r8d h LYS 84 Ca 0.35 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.86 1r8d h LYS 84 Cb 0.01 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 31.86 1r8d h LYS 84 CO -0.10 -0.27 0.05 0.93 -2.27 0.00 0.00 179.45 177.78 1r8d h GLU 85 N -0.58 0.17 -0.26 1.90 5.08 0.40 0.45 114.58 121.74 1r8d h GLU 85 Ca -0.05 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1r8d h GLU 85 Cb 0.43 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1r8d h GLU 85 CO 0.08 0.11 0.06 0.82 -1.00 0.00 0.00 179.01 179.09 1r8d h ILE 86 N 0.17 0.89 -0.20 3.13 2.04 -0.40 -1.05 117.51 122.10 1r8d h ILE 86 Ca 0.27 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 66.10 1r8d h ILE 86 Cb 0.40 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1r8d h ILE 86 CO -0.40 0.03 0.02 -0.07 0.00 0.00 0.00 178.15 177.73 1r8d h LEU 87 N 0.16 -0.04 -0.60 1.44 3.38 0.96 -1.80 115.31 118.80 1r8d h LEU 87 Ca 0.12 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.22 1r8d h LEU 87 Cb 0.11 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 1r8d h LEU 87 CO -0.15 0.01 0.23 0.24 0.09 0.00 0.00 178.44 178.86 1r8d h MET 88 N 0.09 0.40 -0.74 1.13 2.86 0.33 -0.89 114.93 118.11 1r8d h MET 88 Ca 0.09 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1r8d h MET 88 Cb 0.11 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 1r8d h MET 88 CO -0.15 0.26 0.32 0.87 1.06 0.00 0.00 176.91 179.27 1r8d h LYS 89 N 0.41 1.09 -0.80 1.72 1.57 -0.81 0.09 116.57 119.84 1r8d h LYS 89 Ca 0.30 -0.18 0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1r8d h LYS 89 Cb 0.36 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 1r8d h LYS 89 CO -0.29 0.88 0.53 0.87 -0.57 0.00 0.00 179.45 180.86 1r8d h LYS 90 N 1.05 0.94 -0.53 3.15 1.57 -0.42 0.24 116.57 122.56 1r8d h LYS 90 Ca 0.25 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.87 1r8d h LYS 90 Cb 0.18 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1r8d h LYS 90 CO -0.02 0.62 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.20 1r8d h LYS 91 N 0.96 0.98 -0.63 3.15 3.64 -0.26 -2.45 116.57 121.97 1r8d h LYS 91 Ca 0.33 -0.34 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1r8d h LYS 91 Cb 0.09 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1r8d h LYS 91 CO -0.10 1.01 0.21 0.37 -2.27 0.00 0.00 179.45 178.67 1r8d h GLN 92 N 0.85 0.95 -0.04 1.90 4.15 0.52 -1.79 115.11 121.65 1r8d h GLN 92 Ca 0.15 -0.18 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 1r8d h GLN 92 Cb 0.60 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 28.14 1r8d h GLN 92 CO 0.04 0.80 0.02 0.00 -1.93 0.00 0.00 178.83 177.76 1r8d h ARG 93 N 0.92 0.06 -0.48 1.69 3.08 -0.82 -2.42 114.38 116.41 1r8d h ARG 93 Ca 0.21 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.29 1r8d h ARG 93 Cb 0.24 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1r8d h ARG 93 CO -0.01 0.20 0.32 0.52 -1.07 0.00 0.00 179.97 179.93 1r8d h MET 94 N -0.09 0.47 0.48 0.04 2.86 -1.15 -0.82 114.93 116.71 1r8d h MET 94 Ca 0.01 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1r8d h MET 94 Cb 0.16 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1r8d h MET 94 CO -0.00 0.31 -0.23 -0.44 1.06 0.00 0.00 176.91 177.61 1r8d h ASP 95 N 0.48 -0.54 -0.80 1.22 3.45 -0.92 0.35 116.42 119.66 1r8d h ASP 95 Ca 0.20 -0.02 0.16 0.00 0.43 0.00 0.00 57.03 57.80 1r8d h ASP 95 Cb 0.20 0.14 -0.06 0.00 -0.56 0.00 0.00 39.33 39.05 1r8d h ASP 95 CO -0.05 -0.33 0.53 -0.33 -1.57 0.00 0.00 179.24 177.49 1r8d h GLU 96 N -0.72 0.44 -0.32 3.56 5.08 -0.92 0.13 114.58 121.83 1r8d h GLU 96 Ca -0.07 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 1r8d h GLU 96 Cb 0.53 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1r8d h GLU 96 CO 0.11 0.29 -0.03 0.52 -1.00 0.00 0.00 179.01 178.89 1r8d h MET 97 N 0.45 0.59 -0.43 2.33 2.86 -0.56 -1.50 114.93 118.67 1r8d h MET 97 Ca 0.40 -0.20 -0.10 0.00 -2.06 0.00 0.00 59.70 57.74 1r8d h MET 97 Cb 0.89 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.49 1r8d h MET 97 CO -0.14 0.74 -0.12 0.82 1.06 0.00 0.00 176.91 179.28 1r8d h ILE 98 N 0.38 1.26 0.04 -1.22 2.04 0.12 -2.05 117.51 118.07 1r8d h ILE 98 Ca 0.09 -1.18 -0.00 0.00 1.00 0.00 0.00 64.86 64.76 1r8d h ILE 98 Cb 0.50 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1r8d h ILE 98 CO 0.02 0.40 -0.02 1.56 0.00 0.00 0.00 178.15 180.12 1r8d h GLN 99 N 0.71 -0.05 -0.93 2.37 4.20 -0.71 -0.13 115.11 120.56 1r8d h GLN 99 Ca 0.12 0.00 0.18 0.00 0.06 0.00 0.00 58.65 59.01 1r8d h GLN 99 Cb 0.60 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.31 1r8d h GLN 99 CO 0.04 -0.00 0.60 1.15 -0.67 0.00 0.00 178.83 179.94 1r8d h THR 100 N -0.08 0.74 -0.11 -0.54 2.02 -1.04 0.90 112.91 114.79 1r8d h THR 100 Ca -0.01 -0.21 -0.05 0.00 0.77 0.00 0.00 66.41 66.91 1r8d h THR 100 Cb 0.07 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.56 1r8d h THR 100 CO 0.01 0.11 -0.13 0.40 0.37 0.00 0.00 175.52 176.28 1r8d h ILE 101 N 0.61 1.37 0.12 3.11 2.04 -0.63 -2.67 117.51 121.46 1r8d h ILE 101 Ca 0.50 -1.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 1r8d h ILE 101 Cb 0.95 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 39.01 1r8d h ILE 101 CO -0.24 0.38 -0.06 0.44 0.00 0.00 0.00 178.15 178.67 1r8d h ASP 102 N -0.12 -0.14 0.00 1.72 3.32 0.48 0.30 116.42 121.99 1r8d h ASP 102 Ca 0.02 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1r8d h ASP 102 Cb 0.67 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1r8d h ASP 102 CO 0.03 0.02 0.09 -1.14 -1.72 0.00 0.00 179.24 176.52 1r8d n ARG 103 N -5.10 0.00 -0.03 3.56 0.63 0.30 -0.50 116.66 115.51 1r8d n ARG 103 Ca -0.08 0.37 -0.02 0.00 -0.92 0.00 0.00 57.85 57.20 1r8d n ARG 103 Cb 0.14 -1.59 -0.07 0.00 0.45 0.00 0.00 32.46 31.39 1r8d n ARG 103 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1r8d n THR 104 N -1.37 0.44 1.38 5.15 -1.04 -0.50 -4.48 114.28 113.87 1r8d n THR 104 Ca 0.00 -0.33 0.11 0.00 -2.04 0.00 0.00 64.05 61.79 1r8d n THR 104 Cb 0.09 -0.46 0.66 0.00 -1.82 0.00 0.00 70.33 68.80 1r8d n THR 104 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1r8d n LEU 105 N -2.19 0.00 -4.02 -4.42 4.77 0.95 -4.32 117.00 107.76 1r8d n LEU 105 Ca -0.11 0.03 -0.43 0.00 -0.03 0.00 0.00 56.01 55.47 1r8d n LEU 105 Cb 0.64 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1r8d n LEU 105 CO 0.19 -0.01 1.92 0.18 -1.33 0.00 0.00 177.39 178.34 1r8d n LEU 106 N -1.03 6.26 -2.82 2.23 4.77 -1.15 -4.52 117.00 120.75 1r8d n LEU 106 Ca 0.16 -4.50 0.02 0.00 -0.03 0.00 0.00 56.01 51.66 1r8d n LEU 106 Cb 0.09 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 39.63 1r8d n LEU 106 CO 0.13 1.13 0.46 -0.94 -1.33 0.00 0.00 177.39 176.85 1r8d s SER 107 N 1.77 -0.37 -0.43 -1.43 1.04 -1.26 -5.01 113.70 108.01 1r8d s SER 107 Ca 0.42 -0.16 -0.02 0.00 0.48 0.00 0.00 55.95 56.66 1r8d s SER 107 Cb 0.07 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.70 1r8d s SER 107 CO -0.00 -0.04 0.38 0.55 0.98 0.00 0.00 173.24 175.10 1r8d n VAL 108 N 3.84 -4.45 0.15 5.02 3.14 -1.26 -5.20 118.33 119.57 1r8d n VAL 108 Ca 0.06 -0.54 0.02 0.00 -2.96 0.00 0.00 64.34 60.92 1r8d n VAL 108 Cb 0.63 -4.51 0.01 0.00 -1.06 0.00 0.00 33.84 28.92 1r8d n VAL 108 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47