#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r6c s LEU 2 N 0.00 4.51 0.62 -0.89 1.43 -1.26 -0.71 118.68 122.38 1r6c s LEU 2 Ca 0.00 1.96 -0.11 0.00 -1.03 0.00 0.00 54.13 54.95 1r6c s LEU 2 Cb 0.00 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.59 1r6c s LEU 2 CO 0.00 -0.12 1.03 0.54 0.23 0.00 0.00 176.35 178.03 1r6c s ASN 3 N -0.19 6.13 0.23 2.29 6.03 -0.85 -4.80 114.94 123.78 1r6c s ASN 3 Ca 0.47 1.36 -0.07 0.00 -1.03 0.00 0.00 52.86 53.59 1r6c s ASN 3 Cb -0.27 -2.39 0.40 0.00 -3.03 0.00 0.00 41.25 35.96 1r6c s ASN 3 CO 0.33 -0.92 1.67 -0.61 -2.03 0.00 0.00 177.10 175.54 1r6c h GLN 4 N -0.34 0.17 -0.34 3.55 4.15 -1.96 -0.17 115.11 120.17 1r6c h GLN 4 Ca -0.44 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 58.90 1r6c h GLN 4 Cb 1.20 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.83 1r6c h GLN 4 CO 0.62 0.11 -0.08 0.93 -1.93 0.00 0.00 178.83 178.49 1r6c h GLU 5 N 0.18 0.57 -0.15 1.69 4.39 -1.95 -0.52 114.58 118.79 1r6c h GLU 5 Ca 0.38 -0.16 -0.12 0.00 0.34 0.00 0.00 59.36 59.80 1r6c h GLU 5 Cb 0.65 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1r6c h GLU 5 CO -0.55 0.65 -0.39 1.25 -1.16 0.00 0.00 179.01 178.81 1r6c h LEU 6 N 0.53 0.60 -0.85 1.33 5.85 -1.51 -2.03 115.31 119.23 1r6c h LEU 6 Ca 0.10 -0.58 0.06 0.00 0.84 0.00 0.00 57.88 58.30 1r6c h LEU 6 Cb 0.46 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 1r6c h LEU 6 CO 0.02 1.08 0.53 -0.08 -0.34 0.00 0.00 178.44 179.65 1r6c h GLU 7 N 0.15 0.93 -0.32 1.25 4.81 -0.87 -0.93 114.58 119.60 1r6c h GLU 7 Ca -0.01 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1r6c h GLU 7 Cb 1.01 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 1r6c h GLU 7 CO 0.09 0.61 0.20 1.25 -0.73 0.00 0.00 179.01 180.43 1r6c h LEU 8 N 0.96 0.38 -0.40 1.64 5.85 -1.04 -0.57 115.31 122.13 1r6c h LEU 8 Ca 0.38 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 59.07 1r6c h LEU 8 Cb 0.18 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1r6c h LEU 8 CO -0.18 0.30 0.24 0.28 -0.34 0.00 0.00 178.44 178.75 1r6c h SER 9 N 0.42 0.40 -0.68 1.25 0.02 -0.71 -0.15 113.55 114.10 1r6c h SER 9 Ca 0.12 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1r6c h SER 9 Cb -0.01 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 1r6c h SER 9 CO -0.02 0.29 0.28 -0.07 -1.14 0.00 0.00 176.83 176.17 1r6c h LEU 10 N 0.49 0.93 -0.75 5.07 3.38 -1.02 -1.19 115.31 122.22 1r6c h LEU 10 Ca 0.15 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1r6c h LEU 10 Cb -0.01 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1r6c h LEU 10 CO -0.06 0.84 0.31 0.78 0.09 0.00 0.00 178.44 180.40 1r6c h ASN 11 N 0.96 1.03 -0.64 -0.43 2.35 -0.77 -1.77 115.58 116.32 1r6c h ASN 11 Ca 0.23 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 1r6c h ASN 11 Cb 0.19 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 1r6c h ASN 11 CO -0.02 0.92 0.16 0.24 -1.65 0.00 0.00 177.43 177.08 1r6c h MET 12 N 1.09 1.03 -0.71 0.81 2.86 -0.85 0.54 114.93 119.69 1r6c h MET 12 Ca 0.25 -0.25 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1r6c h MET 12 Cb 0.20 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 1r6c h MET 12 CO -0.02 0.93 0.28 0.00 1.06 0.00 0.00 176.91 179.15 1r6c h ALA 13 N 1.06 0.93 -0.22 6.32 0.00 -0.94 0.12 119.26 126.53 1r6c h ALA 13 Ca 0.20 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1r6c h ALA 13 Cb 0.36 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1r6c h ALA 13 CO 0.00 0.55 -0.01 0.74 0.00 0.00 0.00 179.25 180.54 1r6c h PHE 14 N 1.02 0.42 -0.29 0.00 -1.00 -1.01 -2.11 116.94 113.98 1r6c h PHE 14 Ca 0.24 -0.08 -0.06 0.00 2.81 0.00 0.00 57.97 60.88 1r6c h PHE 14 Cb 0.22 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 39.65 1r6c h PHE 14 CO 0.02 0.58 -0.10 0.00 -1.61 0.00 0.00 178.31 177.20 1r6c h ALA 15 N 0.79 1.30 -0.32 2.45 0.00 -0.69 -1.50 119.26 121.29 1r6c h ALA 15 Ca 0.06 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1r6c h ALA 15 Cb 0.41 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1r6c h ALA 15 CO 0.01 0.47 -0.06 -0.09 0.00 0.00 0.00 179.25 179.58 1r6c h ARG 16 N 0.44 0.61 -0.37 0.00 2.43 -0.68 -1.80 114.38 115.02 1r6c h ARG 16 Ca 0.09 -0.23 -0.06 0.00 -0.81 0.00 0.00 59.98 58.97 1r6c h ARG 16 Cb 0.44 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1r6c h ARG 16 CO 0.02 0.78 -0.02 0.00 -1.51 0.00 0.00 179.97 179.24 1r6c h ALA 17 N 0.81 1.28 -0.34 2.80 0.00 -1.17 -1.88 119.26 120.76 1r6c h ALA 17 Ca 0.08 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1r6c h ALA 17 Cb 0.55 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1r6c h ALA 17 CO 0.03 0.48 -0.17 0.00 0.00 0.00 0.00 179.25 179.60 1r6c h ARG 18 N 0.56 0.72 -0.83 0.00 3.08 -1.20 0.14 114.38 116.84 1r6c h ARG 18 Ca 0.11 -0.31 0.04 0.00 0.07 0.00 0.00 59.98 59.89 1r6c h ARG 18 Cb 0.39 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 1r6c h ARG 18 CO 0.02 0.92 0.53 1.49 -1.07 0.00 0.00 179.97 181.86 1r6c h GLU 19 N 0.49 1.00 -0.00 0.04 4.57 -1.03 -1.86 114.58 117.79 1r6c h GLU 19 Ca 0.08 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1r6c h GLU 19 Cb 0.71 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1r6c h GLU 19 CO 0.05 0.66 -0.12 0.72 -1.18 0.00 0.00 179.01 179.15 1r6c n HIS 20 N -4.57 0.00 -2.38 0.92 8.25 -0.73 -4.91 115.22 111.79 1r6c n HIS 20 Ca 0.10 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.36 1r6c n HIS 20 Cb 0.10 -0.34 -0.01 0.00 1.12 0.00 0.00 29.99 30.86 1r6c n HIS 20 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1r6c n ARG 21 N -1.33 -1.66 -1.97 -0.41 1.74 -0.06 -4.71 116.66 108.28 1r6c n ARG 21 Ca 0.10 1.01 -0.42 0.00 -0.77 0.00 0.00 57.85 57.77 1r6c n ARG 21 Cb 0.31 -5.66 -0.03 0.00 -1.02 0.00 0.00 32.46 26.06 1r6c n ARG 21 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1r6c s HIS 22 N -3.03 3.06 0.24 -1.55 3.76 0.30 -0.70 115.29 117.37 1r6c s HIS 22 Ca 0.00 0.75 -0.01 0.00 -0.15 0.00 0.00 55.06 55.65 1r6c s HIS 22 Cb 0.00 -3.89 0.28 0.00 1.11 0.00 0.00 32.58 30.08 1r6c s HIS 22 CO 0.00 -3.17 1.66 0.93 -0.85 0.00 0.00 174.74 173.31 1r6c h GLU 23 N 6.33 0.61 -4.10 1.40 5.08 -1.40 -3.40 114.58 119.10 1r6c h GLU 23 Ca -0.43 -0.25 -0.14 0.00 -1.00 0.00 0.00 59.36 57.53 1r6c h GLU 23 Cb 1.21 -0.02 -0.13 0.00 0.50 0.00 0.00 28.75 30.30 1r6c h GLU 23 CO 0.88 0.82 -0.43 -0.59 -1.00 0.00 0.00 179.01 178.69 1r6c s PHE 24 N -4.48 0.63 -0.11 4.33 -0.71 -1.26 -2.68 117.98 113.70 1r6c s PHE 24 Ca -0.08 -0.97 0.01 0.00 -1.04 0.00 0.00 56.93 54.85 1r6c s PHE 24 Cb 0.13 -0.21 0.02 0.00 -1.21 0.00 0.00 43.02 41.74 1r6c s PHE 24 CO 0.81 -0.69 -0.14 -1.64 -1.34 0.00 0.00 175.22 172.22 1r6c s MET 25 N -4.02 2.16 0.47 1.99 -1.94 -0.83 -4.85 119.30 112.28 1r6c s MET 25 Ca 0.23 -0.53 0.06 0.00 -1.71 0.00 0.00 55.69 53.74 1r6c s MET 25 Cb 0.04 -1.89 0.06 0.00 2.01 0.00 0.00 34.83 35.06 1r6c s MET 25 CO 0.03 -0.11 0.51 0.25 -0.01 0.00 0.00 175.02 175.70 1r6c n THR 26 N 4.35 0.00 0.27 2.05 -2.24 -1.26 -0.91 114.28 116.53 1r6c n THR 26 Ca -0.18 -1.71 0.15 0.00 -2.27 0.00 0.00 64.05 60.04 1r6c n THR 26 Cb 0.51 -0.36 0.87 0.00 -2.10 0.00 0.00 70.33 69.25 1r6c n THR 26 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1r6c h VAL 27 N 0.35 0.54 -0.53 2.28 3.04 -1.93 -1.90 116.25 118.09 1r6c h VAL 27 Ca -0.26 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.32 1r6c h VAL 27 Cb 1.05 0.95 -0.02 0.00 -2.01 0.00 0.00 31.29 31.26 1r6c h VAL 27 CO 0.38 0.00 -0.10 -0.33 -1.01 0.00 0.00 177.57 176.51 1r6c h GLU 28 N 0.00 1.00 -0.71 4.17 3.07 -1.97 -0.88 114.58 119.27 1r6c h GLU 28 Ca 0.03 -0.36 -0.06 0.00 -0.50 0.00 0.00 59.36 58.46 1r6c h GLU 28 Cb 0.15 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 1r6c h GLU 28 CO -0.00 1.04 0.21 0.45 -1.40 0.00 0.00 179.01 179.31 1r6c h HIS 29 N 0.89 1.13 -0.22 4.33 3.86 -1.72 -2.11 115.15 121.31 1r6c h HIS 29 Ca 0.14 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1r6c h HIS 29 Cb 0.66 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 1r6c h HIS 29 CO 0.04 0.90 0.08 1.25 0.86 0.00 0.00 177.93 181.06 1r6c h LEU 30 N 1.05 0.31 -0.95 2.43 5.85 -1.20 -1.90 115.31 120.90 1r6c h LEU 30 Ca 0.23 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1r6c h LEU 30 Cb 0.31 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 1r6c h LEU 30 CO -0.01 0.40 0.61 0.25 -0.34 0.00 0.00 178.44 179.35 1r6c h LEU 31 N 0.19 1.11 -0.72 2.25 5.85 -1.04 -1.45 115.31 121.50 1r6c h LEU 31 Ca 0.07 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1r6c h LEU 31 Cb 0.19 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1r6c h LEU 31 CO -0.00 0.82 0.41 0.25 -0.34 0.00 0.00 178.44 179.58 1r6c h LEU 32 N 1.30 0.89 -0.98 2.25 5.85 -1.15 -2.18 115.31 121.29 1r6c h LEU 32 Ca 0.35 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 1r6c h LEU 32 Cb -0.12 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.66 1r6c h LEU 32 CO -0.07 0.72 0.14 0.00 -0.34 0.00 0.00 178.44 178.89 1r6c h ALA 33 N 1.21 1.18 0.00 1.25 0.00 -0.72 -2.63 119.26 119.54 1r6c h ALA 33 Ca 0.26 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1r6c h ALA 33 Cb 0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1r6c h ALA 33 CO -0.04 0.56 -0.01 -0.07 0.00 0.00 0.00 179.25 179.69 1r6c h LEU 34 N 0.84 0.00 -2.18 0.00 3.38 -0.66 -3.02 115.31 113.68 1r6c h LEU 34 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1r6c h LEU 34 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1r6c h LEU 34 CO -0.00 0.01 0.00 -0.07 0.09 0.00 0.00 178.44 178.46 1r6c h LEU 35 N 0.00 0.00 -2.24 1.67 3.38 -1.12 -1.88 115.31 115.12 1r6c h LEU 35 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1r6c h LEU 35 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1r6c h LEU 35 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 1r6c n SER 36 N -2.96 2.26 -4.69 -0.43 3.41 -1.14 -4.69 113.62 105.37 1r6c n SER 36 Ca -0.01 -1.72 -0.42 0.00 -0.26 0.00 0.00 58.87 56.46 1r6c n SER 36 Cb 0.16 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1r6c n SER 36 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1r6c s ASN 37 N -0.86 7.22 0.23 4.04 3.84 -0.71 -4.96 114.94 123.74 1r6c s ASN 37 Ca 0.14 1.50 -0.07 0.00 0.21 0.00 0.00 52.86 54.63 1r6c s ASN 37 Cb 0.08 -2.54 0.30 0.00 -0.55 0.00 0.00 41.25 38.54 1r6c s ASN 37 CO 0.11 -0.37 1.82 -0.65 -2.79 0.00 0.00 177.10 175.22 1r6c h PRO 38 N 7.03 0.77 -0.01 0.43 0.11 -1.91 -0.09 132.00 138.32 1r6c h PRO 38 Ca -0.34 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.72 1r6c h PRO 38 Cb 1.17 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1r6c h PRO 38 CO 0.82 0.51 0.00 1.03 -0.21 0.00 0.00 178.00 180.15 1r6c h SER 39 N 0.79 0.01 -0.40 -2.05 0.87 -1.93 -1.77 113.55 109.08 1r6c h SER 39 Ca 0.34 -0.20 -0.13 0.00 -1.23 0.00 0.00 61.79 60.56 1r6c h SER 39 Cb 0.21 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1r6c h SER 39 CO -0.19 0.21 -0.25 0.00 -0.53 0.00 0.00 176.83 176.07 1r6c h ALA 40 N 0.80 0.72 -0.57 6.23 0.00 -1.75 -2.94 119.26 121.75 1r6c h ALA 40 Ca 0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1r6c h ALA 40 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1r6c h ALA 40 CO -0.00 0.67 0.12 -0.09 0.00 0.00 0.00 179.25 179.95 1r6c h ARG 41 N 0.78 0.93 -0.87 0.00 2.43 -1.00 -1.63 114.38 115.02 1r6c h ARG 41 Ca 0.10 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 1r6c h ARG 41 Cb 0.82 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.21 1r6c h ARG 41 CO 0.07 0.87 0.49 1.49 -1.51 0.00 0.00 179.97 181.38 1r6c h GLU 42 N 0.83 1.21 -0.39 0.20 4.81 -1.32 0.11 114.58 120.03 1r6c h GLU 42 Ca 0.18 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.18 1r6c h GLU 42 Cb 0.38 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1r6c h GLU 42 CO 0.01 0.87 -0.15 0.00 -0.73 0.00 0.00 179.01 179.01 1r6c h ALA 43 N 1.32 1.00 -0.19 2.92 0.00 -1.30 -2.16 119.26 120.86 1r6c h ALA 43 Ca 0.31 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1r6c h ALA 43 Cb 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1r6c h ALA 43 CO -0.05 0.59 -0.55 -0.07 0.00 0.00 0.00 179.25 179.18 1r6c h LEU 44 N 0.64 0.80 -1.46 0.00 3.38 -0.65 -3.05 115.31 114.97 1r6c h LEU 44 Ca 0.10 -0.59 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 1r6c h LEU 44 Cb 0.62 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1r6c h LEU 44 CO 0.04 1.25 -0.19 -0.33 0.09 0.00 0.00 178.44 179.30 1r6c h GLU 45 N 0.40 0.11 0.00 1.13 5.08 -0.77 -0.77 114.58 119.77 1r6c h GLU 45 Ca -0.02 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1r6c h GLU 45 Cb 1.17 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1r6c h GLU 45 CO 0.12 0.30 -0.12 0.00 -1.00 0.00 0.00 179.01 178.31 1r6c h ALA 46 N 1.71 1.14 -0.42 3.43 0.00 -1.31 -1.97 119.26 121.84 1r6c h ALA 46 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1r6c h ALA 46 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1r6c h ALA 46 CO 0.03 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.43 1r6c n SER 48 N 1.02 -5.44 -4.74 0.00 7.64 -0.74 -4.95 113.62 106.41 1r6c n SER 48 Ca 0.18 -0.30 -0.41 0.00 1.01 0.00 0.00 58.87 59.36 1r6c n SER 48 Cb 0.47 -4.42 -0.05 0.00 -1.01 0.00 0.00 64.21 59.20 1r6c n SER 48 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1r6c s VAL 49 N -3.10 4.25 -0.94 0.44 1.01 -1.12 -4.95 120.40 115.99 1r6c s VAL 49 Ca 0.32 2.00 -0.24 0.00 0.00 0.00 0.00 61.98 64.06 1r6c s VAL 49 Cb -0.15 -4.28 0.03 0.00 0.00 0.00 0.00 36.38 31.99 1r6c s VAL 49 CO 0.39 0.37 1.49 -0.62 0.00 0.00 0.00 175.10 176.74 1r6c s ASP 50 N -0.42 6.23 0.45 3.32 -1.08 -1.26 -4.80 116.67 119.11 1r6c s ASP 50 Ca 0.45 -1.12 0.18 0.00 -0.52 0.00 0.00 52.55 51.53 1r6c s ASP 50 Cb -0.25 -2.57 1.06 0.00 -1.46 0.00 0.00 42.92 39.71 1r6c s ASP 50 CO 0.31 -1.75 1.98 -0.07 0.52 0.00 0.00 175.17 176.17 1r6c h LEU 51 N 13.58 0.00 -0.12 -1.34 3.38 -1.96 -2.36 115.31 126.49 1r6c h LEU 51 Ca 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1r6c h LEU 51 Cb 1.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 1r6c h LEU 51 CO 1.37 0.21 -0.02 0.58 0.09 0.00 0.00 178.44 180.67 1r6c h VAL 52 N 0.00 1.28 -0.54 1.22 2.07 -1.99 -1.16 116.25 117.12 1r6c h VAL 52 Ca -0.00 -0.91 -0.10 0.00 0.82 0.00 0.00 66.70 66.50 1r6c h VAL 52 Cb 0.40 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1r6c h VAL 52 CO 0.03 0.26 -0.06 0.00 0.02 0.00 0.00 177.57 177.81 1r6c h ALA 53 N 0.71 0.74 -0.63 1.67 0.00 -1.94 -2.13 119.26 117.68 1r6c h ALA 53 Ca 0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1r6c h ALA 53 Cb 0.42 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1r6c h ALA 53 CO 0.01 0.62 0.26 1.25 0.00 0.00 0.00 179.25 181.38 1r6c h LEU 54 N 0.87 0.87 -0.40 0.00 5.85 -1.41 -2.17 115.31 118.91 1r6c h LEU 54 Ca 0.15 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 1r6c h LEU 54 Cb 0.62 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1r6c h LEU 54 CO 0.04 0.80 0.05 -0.09 -0.34 0.00 0.00 178.44 178.89 1r6c h ARG 55 N 0.88 0.68 -0.35 1.25 2.43 -1.09 -1.49 114.38 116.69 1r6c h ARG 55 Ca 0.21 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1r6c h ARG 55 Cb 0.20 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1r6c h ARG 55 CO -0.02 0.74 0.23 0.37 -1.51 0.00 0.00 179.97 179.78 1r6c h GLN 56 N 0.52 0.45 -0.51 0.20 4.15 -1.20 0.15 115.11 118.88 1r6c h GLN 56 Ca 0.12 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.43 1r6c h GLN 56 Cb 0.40 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 1r6c h GLN 56 CO 0.01 0.30 -0.03 1.49 -1.93 0.00 0.00 178.83 178.68 1r6c h GLU 57 N 0.46 0.87 -0.23 1.69 4.81 -1.37 -0.57 114.58 120.25 1r6c h GLU 57 Ca 0.13 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 1r6c h GLU 57 Cb -0.05 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1r6c h GLU 57 CO -0.03 0.88 -0.02 1.25 -0.73 0.00 0.00 179.01 180.36 1r6c h LEU 58 N 0.80 0.42 -0.61 1.64 5.85 -0.80 -1.77 115.31 120.83 1r6c h LEU 58 Ca 0.15 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1r6c h LEU 58 Cb 0.51 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1r6c h LEU 58 CO 0.03 0.65 0.39 -0.33 -0.34 0.00 0.00 178.44 178.84 1r6c h GLU 59 N 0.18 0.82 -0.10 1.25 5.08 -0.58 -1.37 114.58 119.87 1r6c h GLU 59 Ca 0.06 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1r6c h GLU 59 Cb 0.45 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1r6c h GLU 59 CO 0.02 0.57 0.06 0.00 -1.00 0.00 0.00 179.01 178.65 1r6c h ALA 60 N 1.20 0.12 -0.53 3.43 0.00 -1.01 -2.31 119.26 120.17 1r6c h ALA 60 Ca 0.22 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1r6c h ALA 60 Cb -0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1r6c h ALA 60 CO -0.04 -0.36 0.32 0.35 0.00 0.00 0.00 179.25 179.51 1r6c h PHE 61 N 0.09 0.59 -0.04 0.00 3.57 -1.10 -1.80 116.94 118.26 1r6c h PHE 61 Ca 0.03 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1r6c h PHE 61 Cb 0.03 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 1r6c h PHE 61 CO -0.06 0.34 -0.02 0.82 -2.23 0.00 0.00 178.31 177.16 1r6c h ILE 62 N 0.63 0.94 -0.43 1.41 2.04 -1.10 -1.77 117.51 119.23 1r6c h ILE 62 Ca 0.22 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.03 1r6c h ILE 62 Cb 0.03 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1r6c h ILE 62 CO -0.10 0.00 0.07 -0.33 0.00 0.00 0.00 178.15 177.79 1r6c h GLU 63 N -0.01 0.66 0.00 2.37 4.39 -1.26 -0.65 114.58 120.08 1r6c h GLU 63 Ca 0.02 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1r6c h GLU 63 Cb 0.04 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1r6c h GLU 63 CO -0.05 0.63 -0.06 1.96 -1.16 0.00 0.00 179.01 180.34 1r6c h GLN 64 N 0.64 0.00 0.00 2.33 4.20 -1.16 -3.37 115.11 117.76 1r6c h GLN 64 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1r6c h GLN 64 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1r6c h GLN 64 CO 0.00 0.06 -1.07 0.25 -0.67 0.00 0.00 178.83 177.40 1r6c n THR 65 N -3.12 0.00 -3.09 -0.54 -2.24 -0.68 -5.00 114.28 99.60 1r6c n THR 65 Ca 0.03 -0.16 -0.40 0.00 -2.27 0.00 0.00 64.05 61.24 1r6c n THR 65 Cb 0.50 0.49 -0.06 0.00 -2.10 0.00 0.00 70.33 69.16 1r6c n THR 65 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1r6c s THR 66 N -2.21 4.99 0.50 4.28 2.01 -0.28 -5.04 115.64 119.90 1r6c s THR 66 Ca -0.01 1.20 -0.23 0.00 0.31 0.00 0.00 61.69 62.96 1r6c s THR 66 Cb 0.03 -3.96 -0.06 0.00 0.01 0.00 0.00 72.50 68.52 1r6c s THR 66 CO 0.21 0.07 1.35 -2.84 -0.69 0.00 0.00 174.62 172.72 1r6c s PRO 67 N 2.19 3.40 -0.09 4.92 0.02 -1.26 -4.89 135.00 139.29 1r6c s PRO 67 Ca 0.28 2.22 0.03 0.00 0.02 0.00 0.00 61.00 63.55 1r6c s PRO 67 Cb -0.16 -2.40 -0.01 0.00 0.02 0.00 0.00 34.50 31.95 1r6c s PRO 67 CO 0.10 -0.98 -0.18 0.08 -0.33 0.00 0.00 177.00 175.68 1r6c s VAL 68 N -1.31 2.65 0.16 3.83 1.01 -1.26 -1.02 120.40 124.46 1r6c s VAL 68 Ca 0.67 -0.84 -0.31 0.00 0.00 0.00 0.00 61.98 61.51 1r6c s VAL 68 Cb -0.40 -2.04 -0.08 0.00 0.00 0.00 0.00 36.38 33.86 1r6c s VAL 68 CO 0.48 0.56 1.36 -0.76 0.00 0.00 0.00 175.10 176.74 1r6c s LEU 69 N -0.06 4.39 0.98 3.92 1.43 0.12 -4.93 118.68 124.54 1r6c s LEU 69 Ca -0.04 2.39 -0.12 0.00 -1.03 0.00 0.00 54.13 55.32 1r6c s LEU 69 Cb -0.14 -3.60 0.18 0.00 0.03 0.00 0.00 46.19 42.66 1r6c s LEU 69 CO 0.04 -0.60 1.08 -2.84 0.23 0.00 0.00 176.35 174.26 1r6c s PRO 70 N 0.48 0.55 0.00 1.29 0.02 -1.26 -4.83 135.00 131.24 1r6c s PRO 70 Ca 0.61 0.75 0.01 0.00 0.02 0.00 0.00 61.00 62.39 1r6c s PRO 70 Cb -0.37 -1.73 0.04 0.00 0.02 0.00 0.00 34.50 32.46 1r6c s PRO 70 CO 0.35 -2.71 0.56 0.00 -0.33 0.00 0.00 177.00 174.87 1r6c n ALA 71 N -4.20 1.50 -1.08 -1.55 0.00 -1.26 -4.72 120.51 109.21 1r6c n ALA 71 Ca 0.06 -0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.39 1r6c n ALA 71 Cb 0.56 -1.01 0.13 0.00 0.00 0.00 0.00 19.45 19.13 1r6c n ALA 71 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1r6c n SER 72 N -1.03 -1.44 -0.54 0.00 3.41 -1.26 -5.10 113.62 107.65 1r6c n SER 72 Ca 0.01 -0.90 0.00 0.00 -0.26 0.00 0.00 58.87 57.71 1r6c n SER 72 Cb 0.00 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 1r6c n SER 72 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1r6c n GLU 73 N -3.26 2.61 -0.88 4.33 4.71 -1.26 -5.07 120.64 121.83 1r6c n GLU 73 Ca 0.08 0.00 0.11 0.00 -0.01 0.00 0.00 57.16 57.35 1r6c n GLU 73 Cb 0.32 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.71 1r6c n GLU 73 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1r6c n GLU 74 N -0.03 -1.90 -2.02 3.49 4.71 -1.26 -4.84 120.64 118.79 1r6c n GLU 74 Ca 0.00 1.41 0.00 0.00 -0.01 0.00 0.00 57.16 58.56 1r6c n GLU 74 Cb 0.00 -2.27 0.00 0.00 -1.01 0.00 0.00 31.44 28.16 1r6c n GLU 74 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1r6c n GLU 75 N -3.57 -0.17 0.09 3.49 0.28 -1.26 -4.77 120.64 114.74 1r6c n GLU 75 Ca -0.02 -0.08 -0.06 0.00 -0.16 0.00 0.00 57.16 56.83 1r6c n GLU 75 Cb 0.41 0.15 0.04 0.00 1.43 0.00 0.00 31.44 33.47 1r6c n GLU 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1r6c h ARG 76 N 1.06 0.15 -6.71 3.44 3.08 -1.98 -3.44 114.38 109.99 1r6c h ARG 76 Ca 0.00 -0.14 -0.49 0.00 0.07 0.00 0.00 59.98 59.41 1r6c h ARG 76 Cb 0.00 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 1r6c h ARG 76 CO 0.00 0.85 0.11 0.34 -1.07 0.00 0.00 179.97 180.20 1r6c s ASP 77 N -6.89 6.84 0.60 7.04 2.15 -1.26 -4.99 116.67 120.16 1r6c s ASP 77 Ca -0.02 1.33 -0.13 0.00 0.43 0.00 0.00 52.55 54.16 1r6c s ASP 77 Cb 0.11 -2.39 -0.04 0.00 -0.30 0.00 0.00 42.92 40.30 1r6c s ASP 77 CO 0.81 -0.16 1.03 0.28 -0.17 0.00 0.00 175.17 176.95 1r6c s THR 78 N -1.90 4.44 -0.10 1.71 -1.32 -1.26 -4.98 115.64 112.23 1r6c s THR 78 Ca 0.52 0.93 0.01 0.00 -1.21 0.00 0.00 61.69 61.95 1r6c s THR 78 Cb -0.11 -3.69 0.02 0.00 -1.51 0.00 0.00 72.50 67.20 1r6c s THR 78 CO 0.18 -0.90 -0.13 0.00 -2.21 0.00 0.00 174.62 171.56 1r6c s GLN 79 N -4.72 1.93 0.32 7.08 -2.07 -1.09 -4.98 119.66 116.13 1r6c s GLN 79 Ca 0.58 -0.46 -0.29 0.00 -1.82 0.00 0.00 55.36 53.37 1r6c s GLN 79 Cb -0.12 -1.69 -0.11 0.00 -1.09 0.00 0.00 33.01 30.01 1r6c s GLN 79 CO 0.46 -0.08 1.47 -1.25 -1.32 0.00 0.00 175.29 174.58 1r6c s PRO 80 N 1.03 4.19 0.88 9.60 0.04 -1.26 -1.96 135.00 147.51 1r6c s PRO 80 Ca -0.07 2.46 -0.10 0.00 0.04 0.00 0.00 61.00 63.33 1r6c s PRO 80 Cb -0.15 -3.03 0.18 0.00 0.04 0.00 0.00 34.50 31.55 1r6c s PRO 80 CO -0.01 -0.48 1.21 0.95 0.04 0.00 0.00 177.00 178.71 1r6c s THR 81 N -0.61 2.03 0.39 1.26 -4.23 -0.09 -4.86 115.64 109.54 1r6c s THR 81 Ca 0.56 -0.24 0.07 0.00 -1.18 0.00 0.00 61.69 60.90 1r6c s THR 81 Cb -0.45 -2.79 0.23 0.00 1.34 0.00 0.00 72.50 70.83 1r6c s THR 81 CO 0.53 0.00 2.00 0.25 -0.54 0.00 0.00 174.62 176.87 1r6c h LEU 82 N -1.25 0.43 -0.41 4.79 6.46 -1.95 -1.69 115.31 121.70 1r6c h LEU 82 Ca -0.41 -0.04 -0.18 0.00 -0.12 0.00 0.00 57.88 57.14 1r6c h LEU 82 Cb 1.24 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 41.06 1r6c h LEU 82 CO 0.37 0.39 -0.64 0.77 -0.62 0.00 0.00 178.44 178.70 1r6c h SER 83 N 0.49 0.66 -0.15 1.25 4.64 -1.94 -0.81 113.55 117.68 1r6c h SER 83 Ca 0.12 -0.39 -0.02 0.00 -0.47 0.00 0.00 61.79 61.04 1r6c h SER 83 Cb 0.08 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1r6c h SER 83 CO -0.01 1.13 0.02 0.15 -0.87 0.00 0.00 176.83 177.25 1r6c h PHE 84 N 0.42 0.27 -0.35 4.77 3.57 -1.74 -2.70 116.94 121.18 1r6c h PHE 84 Ca -0.01 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.42 1r6c h PHE 84 Cb 1.21 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 1r6c h PHE 84 CO 0.05 0.43 0.10 1.96 -2.23 0.00 0.00 178.31 178.63 1r6c h GLN 85 N 0.04 0.55 -0.47 1.11 4.20 -1.29 -2.95 115.11 116.30 1r6c h GLN 85 Ca 0.05 -0.12 0.03 0.00 0.06 0.00 0.00 58.65 58.67 1r6c h GLN 85 Cb 0.30 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.97 1r6c h GLN 85 CO 0.00 0.58 0.25 0.00 -0.67 0.00 0.00 178.83 178.99 1r6c h ARG 86 N 0.41 0.48 -0.53 1.46 3.08 -1.18 0.89 114.38 118.99 1r6c h ARG 86 Ca 0.11 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1r6c h ARG 86 Cb 0.26 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1r6c h ARG 86 CO -0.00 0.32 0.27 0.28 -1.07 0.00 0.00 179.97 179.77 1r6c h VAL 87 N 0.50 1.19 -0.38 2.04 2.07 -1.48 0.12 116.25 120.31 1r6c h VAL 87 Ca 0.20 -0.52 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 1r6c h VAL 87 Cb 0.08 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1r6c h VAL 87 CO -0.13 0.21 -0.17 -0.07 0.02 0.00 0.00 177.57 177.44 1r6c h LEU 88 N 0.71 0.80 -0.81 2.57 3.38 -1.33 -1.64 115.31 119.00 1r6c h LEU 88 Ca 0.18 -0.40 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 1r6c h LEU 88 Cb 0.09 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1r6c h LEU 88 CO -0.03 1.02 0.31 -0.61 0.09 0.00 0.00 178.44 179.23 1r6c h GLN 89 N 0.58 1.20 -0.19 1.13 4.15 -0.63 -1.66 115.11 119.68 1r6c h GLN 89 Ca 0.09 -0.22 -0.00 0.00 0.77 0.00 0.00 58.65 59.28 1r6c h GLN 89 Cb 0.71 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 1r6c h GLN 89 CO 0.05 0.97 0.11 -0.09 -1.93 0.00 0.00 178.83 177.94 1r6c h ARG 90 N 1.16 0.27 -0.10 1.69 2.43 -0.58 -2.24 114.38 117.02 1r6c h ARG 90 Ca 0.27 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1r6c h ARG 90 Cb 0.22 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1r6c h ARG 90 CO -0.02 0.25 0.06 0.00 -1.51 0.00 0.00 179.97 178.74 1r6c h ALA 91 N 1.00 0.13 -0.55 2.80 0.00 -1.10 -1.32 119.26 120.22 1r6c h ALA 91 Ca 0.07 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1r6c h ALA 91 Cb 0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1r6c h ALA 91 CO -0.01 -0.34 0.30 0.28 0.00 0.00 0.00 179.25 179.47 1r6c h VAL 92 N 0.08 0.98 0.00 0.00 2.07 -1.24 -1.32 116.25 116.82 1r6c h VAL 92 Ca 0.04 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1r6c h VAL 92 Cb 0.06 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1r6c h VAL 92 CO -0.01 0.10 -0.07 -0.26 0.02 0.00 0.00 177.57 177.36 1r6c h PHE 93 N 0.57 0.00 0.01 1.57 0.04 -1.24 -1.83 116.94 116.07 1r6c h PHE 93 Ca 0.24 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.82 1r6c h PHE 93 Cb 0.13 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.29 1r6c h PHE 93 CO -0.09 0.00 -0.75 1.25 -0.60 0.00 0.00 178.31 178.12 1r6c h HIS 94 N 0.00 0.73 -0.75 -0.55 2.76 -0.91 -2.77 115.15 113.67 1r6c h HIS 94 Ca 0.00 -0.41 -0.06 0.00 -2.20 0.00 0.00 60.37 57.70 1r6c h HIS 94 Cb 0.93 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.78 1r6c h HIS 94 CO 0.00 1.24 0.24 0.28 -1.30 0.00 0.00 177.93 178.39 1r6c h VAL 95 N 0.02 1.26 -0.34 5.26 2.07 -1.19 -1.84 116.25 121.48 1r6c h VAL 95 Ca -0.10 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 1r6c h VAL 95 Cb 1.46 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1r6c h VAL 95 CO 0.15 0.35 0.11 -0.61 0.02 0.00 0.00 177.57 177.59 1r6c h GLN 96 N 1.11 0.49 0.00 1.57 4.15 -1.39 -1.95 115.11 119.09 1r6c h GLN 96 Ca 0.24 -0.07 -0.11 0.00 0.77 0.00 0.00 58.65 59.49 1r6c h GLN 96 Cb 0.29 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 1r6c h GLN 96 CO -0.01 0.44 -0.51 1.03 -1.93 0.00 0.00 178.83 177.85 1r6c h SER 97 N 0.49 0.00 0.28 -0.69 0.87 -1.13 -3.20 113.55 110.17 1r6c h SER 97 Ca 0.12 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1r6c h SER 97 Cb 0.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1r6c h SER 97 CO -0.01 0.51 0.00 -1.20 -0.53 0.00 0.00 176.83 175.60 1r6c n SER 98 N -3.32 0.00 0.00 6.23 7.64 -0.74 -4.88 113.62 118.55 1r6c n SER 98 Ca 0.01 -0.55 0.00 0.00 1.01 0.00 0.00 58.87 59.34 1r6c n SER 98 Cb 0.69 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1r6c n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r6c n GLY 99 N 1.08 0.93 3.88 0.23 0.00 -1.19 -5.03 105.19 105.10 1r6c n GLY 99 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1r6c n GLY 99 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r6c s ARG 100 N -0.09 3.75 -0.02 1.61 0.52 -1.17 -5.03 118.95 118.53 1r6c s ARG 100 Ca 0.00 0.40 0.22 0.00 -0.52 0.00 0.00 55.73 55.83 1r6c s ARG 100 Cb 0.00 -2.41 -0.29 0.00 0.52 0.00 0.00 34.95 32.76 1r6c s ARG 100 CO 0.00 -0.02 0.52 0.09 0.02 0.00 0.00 175.30 175.90 1r6c n ASN 101 N -1.33 0.11 -4.44 0.23 4.13 -1.26 -4.38 115.26 108.31 1r6c n ASN 101 Ca 0.02 0.04 -0.33 0.00 1.68 0.00 0.00 54.58 55.99 1r6c n ASN 101 Cb 0.54 1.72 -0.13 0.00 -1.54 0.00 0.00 39.78 40.37 1r6c n ASN 101 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1r6c s GLU 102 N -3.41 3.12 -0.17 3.52 2.02 -1.26 -4.77 118.70 117.75 1r6c s GLU 102 Ca -0.07 -0.65 -0.13 0.00 0.02 0.00 0.00 54.97 54.14 1r6c s GLU 102 Cb 0.13 -2.60 -0.05 0.00 0.10 0.00 0.00 34.13 31.71 1r6c s GLU 102 CO 0.89 0.38 0.27 0.08 0.02 0.00 0.00 175.26 176.90 1r6c s VAL 103 N -0.08 5.32 0.37 2.63 1.01 0.11 -4.94 120.40 124.81 1r6c s VAL 103 Ca -0.01 0.50 0.08 0.00 0.00 0.00 0.00 61.98 62.55 1r6c s VAL 103 Cb -0.14 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1r6c s VAL 103 CO 0.03 0.39 0.10 0.42 0.00 0.00 0.00 175.10 176.04 1r6c s THR 104 N 0.48 2.60 0.44 3.92 -4.23 -1.26 -2.01 115.64 115.58 1r6c s THR 104 Ca 0.15 -1.82 0.12 0.00 -1.18 0.00 0.00 61.69 58.97 1r6c s THR 104 Cb -0.13 -2.91 0.31 0.00 1.34 0.00 0.00 72.50 71.11 1r6c s THR 104 CO 0.03 -0.13 2.02 1.23 -0.54 0.00 0.00 174.62 177.23 1r6c h GLY 105 N 1.62 0.50 1.23 3.99 0.00 -1.93 -1.46 103.07 107.02 1r6c h GLY 105 Ca -0.43 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 46.67 1r6c h GLY 105 CO 0.67 0.12 0.09 0.00 0.00 0.00 0.00 176.54 177.43 1r6c h ALA 106 N 1.74 1.06 -0.65 3.60 0.00 -1.92 -0.10 119.26 122.98 1r6c h ALA 106 Ca 0.21 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1r6c h ALA 106 Cb 0.34 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1r6c h ALA 106 CO -0.05 0.61 0.18 -0.91 0.00 0.00 0.00 179.25 179.08 1r6c h ASN 107 N 0.89 0.95 -0.37 0.00 -0.26 -1.67 -2.07 115.58 113.05 1r6c h ASN 107 Ca 0.18 -0.18 -0.13 0.00 -0.56 0.00 0.00 56.30 55.62 1r6c h ASN 107 Cb 0.40 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.40 1r6c h ASN 107 CO 0.01 0.90 -0.24 0.58 -1.06 0.00 0.00 177.43 177.62 1r6c h VAL 108 N 0.97 1.27 -0.51 2.81 2.07 -1.15 -2.53 116.25 119.18 1r6c h VAL 108 Ca 0.21 -1.38 0.05 0.00 0.82 0.00 0.00 66.70 66.40 1r6c h VAL 108 Cb 0.31 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1r6c h VAL 108 CO -0.00 0.47 0.24 0.25 0.02 0.00 0.00 177.57 178.55 1r6c h LEU 109 N 0.76 0.33 -0.75 2.57 5.85 -0.62 -2.25 115.31 121.20 1r6c h LEU 109 Ca 0.10 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.86 1r6c h LEU 109 Cb 0.79 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 1r6c h LEU 109 CO 0.07 0.23 0.50 0.58 -0.34 0.00 0.00 178.44 179.47 1r6c h VAL 110 N 0.47 1.19 0.00 1.05 2.07 -1.20 -2.38 116.25 117.45 1r6c h VAL 110 Ca 0.23 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1r6c h VAL 110 Cb 0.17 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.01 1r6c h VAL 110 CO -0.18 0.19 -0.13 0.00 0.02 0.00 0.00 177.57 177.47 1r6c h ALA 111 N 1.28 1.70 0.00 1.67 0.00 -1.00 -2.25 119.26 120.66 1r6c h ALA 111 Ca 0.28 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1r6c h ALA 111 Cb -0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1r6c h ALA 111 CO -0.06 0.16 -0.15 0.82 0.00 0.00 0.00 179.25 180.02 1r6c h ILE 112 N 0.00 1.08 0.00 0.00 2.04 -0.87 -2.17 117.51 117.59 1r6c h ILE 112 Ca -0.00 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 1r6c h ILE 112 Cb 0.24 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1r6c h ILE 112 CO 0.02 0.14 -0.02 -0.26 0.00 0.00 0.00 178.15 178.03 1r6c h PHE 113 N 0.00 0.00 0.00 1.37 -1.00 -1.48 -1.70 116.94 114.13 1r6c h PHE 113 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1r6c h PHE 113 Cb 0.27 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.83 1r6c h PHE 113 CO 0.00 0.02 0.00 0.43 -1.61 0.00 0.00 178.31 177.15 1r6c n SER 114 N -3.21 0.50 -3.76 2.17 7.64 -0.82 -3.92 113.62 112.23 1r6c n SER 114 Ca -0.02 0.56 -0.42 0.00 1.01 0.00 0.00 58.87 60.01 1r6c n SER 114 Cb 0.18 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 1r6c n SER 114 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1r6c n GLU 115 N -1.98 3.87 -0.32 1.43 -0.58 -0.64 -4.86 120.64 117.55 1r6c n GLU 115 Ca 0.05 -3.49 0.14 0.00 -0.42 0.00 0.00 57.16 53.44 1r6c n GLU 115 Cb 0.36 -2.85 0.33 0.00 -0.57 0.00 0.00 31.44 28.71 1r6c n GLU 115 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1r6c h GLN 116 N 5.44 0.51 -0.02 3.49 4.20 -1.81 -1.51 115.11 125.41 1r6c h GLN 116 Ca 0.48 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.16 1r6c h GLN 116 Cb 0.54 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1r6c h GLN 116 CO 1.60 0.33 0.00 0.39 -0.67 0.00 0.00 178.83 180.48 1r6c n GLU 117 N -4.95 1.57 -2.29 1.46 1.02 -1.26 -4.65 120.64 111.55 1r6c n GLU 117 Ca 0.23 -0.83 -0.33 0.00 -0.02 0.00 0.00 57.16 56.20 1r6c n GLU 117 Cb 0.65 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.58 1r6c n GLU 117 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1r6c s SER 118 N -1.98 6.05 0.37 1.62 1.04 -0.57 -4.93 113.70 115.30 1r6c s SER 118 Ca 0.39 1.89 0.09 0.00 0.48 0.00 0.00 55.95 58.80 1r6c s SER 118 Cb 0.21 -2.55 0.74 0.00 0.10 0.00 0.00 66.02 64.52 1r6c s SER 118 CO 0.34 -0.98 1.88 -0.61 0.98 0.00 0.00 173.24 174.85 1r6c h GLN 119 N 1.01 0.23 -0.28 4.02 5.75 -1.91 -1.74 115.11 122.18 1r6c h GLN 119 Ca -0.48 -0.06 0.03 0.00 -0.15 0.00 0.00 58.65 57.98 1r6c h GLN 119 Cb 1.22 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.72 1r6c h GLN 119 CO 0.58 0.41 0.11 0.00 -2.65 0.00 0.00 178.83 177.28 1r6c h ALA 120 N 1.61 0.32 -0.31 3.38 0.00 -1.92 0.71 119.26 123.07 1r6c h ALA 120 Ca 0.04 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1r6c h ALA 120 Cb 0.44 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1r6c h ALA 120 CO 0.03 -0.29 -0.24 0.00 0.00 0.00 0.00 179.25 178.74 1r6c h ALA 121 N 1.17 1.00 -0.57 0.00 0.00 -1.71 -2.08 119.26 117.08 1r6c h ALA 121 Ca 0.12 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1r6c h ALA 121 Cb 0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1r6c h ALA 121 CO -0.11 0.59 0.22 -0.92 0.00 0.00 0.00 179.25 179.03 1r6c h TYR 122 N 0.53 0.87 -0.11 0.00 3.20 -0.76 -2.01 116.97 118.69 1r6c h TYR 122 Ca 0.07 -0.07 -0.14 0.00 3.14 0.00 0.00 58.73 61.74 1r6c h TYR 122 Cb 0.70 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 1r6c h TYR 122 CO 0.03 0.71 -0.54 -0.07 -1.64 0.00 0.00 178.16 176.64 1r6c h LEU 123 N 0.78 0.35 -0.58 2.82 3.38 -0.66 0.31 115.31 121.71 1r6c h LEU 123 Ca 0.19 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1r6c h LEU 123 Cb 0.21 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1r6c h LEU 123 CO -0.01 0.83 0.09 -0.07 0.09 0.00 0.00 178.44 179.36 1r6c h LEU 124 N 0.24 0.93 -0.27 1.67 3.38 -1.15 -1.20 115.31 118.91 1r6c h LEU 124 Ca 0.00 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1r6c h LEU 124 Cb 1.03 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1r6c h LEU 124 CO 0.09 0.96 0.03 0.03 0.09 0.00 0.00 178.44 179.64 1r6c h ARG 125 N 0.87 0.46 -0.73 1.13 3.08 -1.25 0.21 114.38 118.15 1r6c h ARG 125 Ca 0.18 -0.13 0.11 0.00 0.07 0.00 0.00 59.98 60.21 1r6c h ARG 125 Cb 0.43 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.35 1r6c h ARG 125 CO 0.01 0.59 0.34 -0.22 -1.07 0.00 0.00 179.97 179.63 1r6c h LYS 126 N 0.26 0.53 -0.50 0.04 3.64 -0.68 -0.82 116.57 119.05 1r6c h LYS 126 Ca 0.08 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1r6c h LYS 126 Cb 0.36 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1r6c h LYS 126 CO 0.01 0.35 0.00 0.72 -2.27 0.00 0.00 179.45 178.26 1r6c n HIS 127 N -4.91 0.56 -2.72 1.91 8.25 -0.48 -4.92 115.22 112.92 1r6c n HIS 127 Ca 0.13 -0.23 -0.16 0.00 -0.26 0.00 0.00 57.72 57.20 1r6c n HIS 127 Cb 0.33 -0.10 0.02 0.00 1.12 0.00 0.00 29.99 31.36 1r6c n HIS 127 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1r6c n GLU 128 N 0.32 -3.14 -2.95 -0.41 1.02 -0.31 -4.77 120.64 110.39 1r6c n GLU 128 Ca 0.10 0.66 -0.43 0.00 -0.02 0.00 0.00 57.16 57.47 1r6c n GLU 128 Cb 0.39 -4.98 -0.05 0.00 -0.02 0.00 0.00 31.44 26.79 1r6c n GLU 128 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1r6c s VAL 129 N -2.95 4.55 -0.06 2.62 1.01 0.71 -5.00 120.40 121.27 1r6c s VAL 129 Ca 0.18 -0.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.85 1r6c s VAL 129 Cb -0.08 -4.47 -0.02 0.00 0.00 0.00 0.00 36.38 31.80 1r6c s VAL 129 CO 0.23 -1.04 0.92 -0.55 0.00 0.00 0.00 175.10 174.66 1r6c s SER 130 N 2.87 7.21 0.47 3.32 0.15 -1.26 -4.51 113.70 121.95 1r6c s SER 130 Ca 0.25 1.48 0.22 0.00 0.70 0.00 0.00 55.95 58.59 1r6c s SER 130 Cb -0.15 -2.52 1.18 0.00 -1.71 0.00 0.00 66.02 62.81 1r6c s SER 130 CO 0.16 -0.31 1.99 0.08 1.20 0.00 0.00 173.24 176.36 1r6c h ARG 131 N 6.95 0.00 -0.73 5.44 0.11 -1.98 -2.24 114.38 121.93 1r6c h ARG 131 Ca -0.37 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.68 1r6c h ARG 131 Cb 1.18 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.23 1r6c h ARG 131 CO 0.79 0.19 0.31 -0.07 0.10 0.00 0.00 179.97 181.29 1r6c h LEU 132 N 0.00 0.99 -0.65 0.08 3.38 -2.00 -1.25 115.31 115.86 1r6c h LEU 132 Ca -0.00 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.68 1r6c h LEU 132 Cb 0.43 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1r6c h LEU 132 CO 0.02 0.88 -0.25 0.44 0.09 0.00 0.00 178.44 179.63 1r6c h ASP 133 N 1.04 0.81 -0.16 -0.43 3.32 -1.82 -1.82 116.42 117.36 1r6c h ASP 133 Ca 0.24 -0.30 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 1r6c h ASP 133 Cb 0.19 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1r6c h ASP 133 CO -0.02 1.02 -0.00 0.58 -1.72 0.00 0.00 179.24 179.09 1r6c h VAL 134 N 0.68 1.25 -0.85 -1.35 2.07 -1.22 -2.18 116.25 114.67 1r6c h VAL 134 Ca 0.09 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 1r6c h VAL 134 Cb 0.77 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 1r6c h VAL 134 CO 0.06 0.25 0.52 0.58 0.02 0.00 0.00 177.57 179.00 1r6c h VAL 135 N 0.03 1.23 -0.57 2.57 2.07 -1.15 -1.92 116.25 118.52 1r6c h VAL 135 Ca 0.05 -0.50 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 1r6c h VAL 135 Cb 0.38 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1r6c h VAL 135 CO 0.01 0.24 0.03 0.78 0.02 0.00 0.00 177.57 178.65 1r6c h ASN 136 N 1.16 0.93 -0.26 0.57 2.35 -1.28 -1.23 115.58 117.82 1r6c h ASN 136 Ca 0.30 -0.24 -0.09 0.00 -0.55 0.00 0.00 56.30 55.72 1r6c h ASN 136 Cb -0.06 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.05 1r6c h ASN 136 CO -0.06 0.97 -0.15 0.15 -1.65 0.00 0.00 177.43 176.70 1r6c h PHE 137 N 0.89 0.77 0.05 1.19 3.57 -1.04 -3.03 116.94 119.35 1r6c h PHE 137 Ca 0.17 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1r6c h PHE 137 Cb 0.49 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1r6c h PHE 137 CO 0.03 0.80 -0.03 0.82 -2.23 0.00 0.00 178.31 177.71 1r6c h ILE 138 N 0.63 1.27 -0.74 1.41 2.04 -1.03 0.20 117.51 121.29 1r6c h ILE 138 Ca 0.10 -1.25 0.06 0.00 1.00 0.00 0.00 64.86 64.77 1r6c h ILE 138 Cb 0.61 2.07 -0.06 0.00 -0.74 0.00 0.00 36.82 38.71 1r6c h ILE 138 CO 0.04 0.30 0.44 0.28 0.00 0.00 0.00 178.15 179.22 1r6c h SER 139 N -0.64 0.68 0.00 1.72 0.02 -1.28 -2.46 113.55 111.59 1r6c h SER 139 Ca -0.01 0.02 -0.23 0.00 -0.84 0.00 0.00 61.79 60.73 1r6c h SER 139 Cb 0.56 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 1r6c h SER 139 CO 0.01 0.44 -1.38 1.41 -1.14 0.00 0.00 176.83 176.18 1r6c n HIS 140 N -4.71 0.78 0.29 3.45 8.25 -1.14 -4.46 115.22 117.67 1r6c n HIS 140 Ca 0.10 0.34 0.17 0.00 -0.26 0.00 0.00 57.72 58.07 1r6c n HIS 140 Cb 0.16 -1.01 0.71 0.00 1.12 0.00 0.00 29.99 30.97 1r6c n HIS 140 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1r6c h GLY 141 N -1.00 0.00 -0.63 -1.41 0.00 -1.04 -3.51 103.07 95.48 1r6c h GLY 141 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1r6c h GLY 141 CO -0.21 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.03