#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6j s GLN 9 N 0.00 3.21 0.16 1.96 -1.52 -1.26 -5.01 119.66 117.20 1a6j s GLN 9 Ca 0.00 -0.78 -0.08 0.00 -1.95 0.00 0.00 55.36 52.55 1a6j s GLN 9 Cb 0.00 -2.50 0.01 0.00 -0.22 0.00 0.00 33.01 30.29 1a6j s GLN 9 CO 0.00 0.15 1.46 -0.07 -0.25 0.00 0.00 175.29 176.58 1a6j h LEU 10 N 6.87 0.84 -1.70 2.90 3.38 -1.94 -2.52 115.31 123.14 1a6j h LEU 10 Ca -0.25 -0.44 0.08 0.00 0.09 0.00 0.00 57.88 57.36 1a6j h LEU 10 Cb 1.22 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1a6j h LEU 10 CO 0.53 1.20 0.54 0.77 0.09 0.00 0.00 178.44 181.57 1a6j h SER 11 N 0.59 0.00 -0.76 -0.43 4.64 -1.86 0.27 113.55 116.01 1a6j h SER 11 Ca 0.02 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.36 1a6j h SER 11 Cb 1.09 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.14 1a6j h SER 11 CO 0.11 0.00 0.49 -1.28 -0.87 0.00 0.00 176.83 175.28 1a6j h SER 12 N 0.00 0.84 0.00 4.97 0.87 -1.88 -3.27 113.55 115.08 1a6j h SER 12 Ca 0.13 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1a6j h SER 12 Cb 1.21 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 1a6j h SER 12 CO -0.00 0.59 -1.58 1.33 -0.53 0.00 0.00 176.83 176.64 1a6j n VAL 13 N -4.59 0.00 -3.95 2.23 0.24 0.79 -4.93 118.33 108.13 1a6j n VAL 13 Ca 0.08 -0.32 -0.35 0.00 -2.04 0.00 0.00 64.34 61.71 1a6j n VAL 13 Cb 0.05 0.25 -0.14 0.00 -1.47 0.00 0.00 33.84 32.52 1a6j n VAL 13 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1a6j s LEU 14 N -3.89 3.12 0.39 1.34 2.96 -0.26 -0.78 118.68 121.56 1a6j s LEU 14 Ca -0.04 -0.77 0.08 0.00 -0.22 0.00 0.00 54.13 53.18 1a6j s LEU 14 Cb 0.10 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 45.09 1a6j s LEU 14 CO 0.62 -0.11 0.38 0.54 -1.32 0.00 0.00 176.35 176.47 1a6j s ASN 15 N 1.36 5.24 0.53 3.68 2.20 -1.26 -4.35 114.94 122.35 1a6j s ASN 15 Ca 0.02 -0.61 0.25 0.00 -0.94 0.00 0.00 52.86 51.58 1a6j s ASN 15 Cb -0.16 -0.72 1.50 0.00 -2.00 0.00 0.00 41.25 39.87 1a6j s ASN 15 CO -0.04 -0.58 2.13 0.03 -2.94 0.00 0.00 177.10 175.70 1a6j h ARG 16 N 1.03 0.00 0.00 3.55 3.08 -1.96 -2.61 114.38 117.47 1a6j h ARG 16 Ca -0.42 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.57 1a6j h ARG 16 Cb 1.26 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.31 1a6j h ARG 16 CO 0.56 0.08 -0.29 0.93 -1.07 0.00 0.00 179.97 180.17 1a6j h GLU 17 N 0.00 0.00 -0.57 0.04 3.07 -1.99 -2.83 114.58 112.30 1a6j h GLU 17 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1a6j h GLU 17 Cb 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1a6j h GLU 17 CO 0.01 0.29 0.00 0.00 -1.40 0.00 0.00 179.01 177.91 1a6j s THR 19 N -2.07 3.36 0.13 0.00 2.01 -1.07 -0.79 115.64 117.21 1a6j s THR 19 Ca 0.49 -0.81 0.08 0.00 0.31 0.00 0.00 61.69 61.75 1a6j s THR 19 Cb 0.33 -2.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 1a6j s THR 19 CO 0.21 0.19 -0.17 -0.60 -0.69 0.00 0.00 174.62 173.55 1a6j s ARG 20 N 1.42 1.14 0.15 4.92 6.06 0.34 -4.85 118.95 128.13 1a6j s ARG 20 Ca 0.02 -1.28 0.05 0.00 -2.50 0.00 0.00 55.73 52.02 1a6j s ARG 20 Cb -0.16 -1.20 -0.04 0.00 0.06 0.00 0.00 34.95 33.61 1a6j s ARG 20 CO -0.02 0.25 -0.12 0.45 -2.50 0.00 0.00 175.30 173.37 1a6j s SER 21 N -2.38 1.99 -1.25 -2.12 0.15 -1.26 -2.20 113.70 106.63 1a6j s SER 21 Ca 0.11 -0.98 -0.03 0.00 0.70 0.00 0.00 55.95 55.75 1a6j s SER 21 Cb -0.07 -0.05 0.02 0.00 -1.71 0.00 0.00 66.02 64.21 1a6j s SER 21 CO 0.05 -0.26 0.19 0.54 1.20 0.00 0.00 173.24 174.95 1a6j n ARG 22 N -0.10 -2.77 -2.01 5.44 1.74 -1.01 -4.90 116.66 113.04 1a6j n ARG 22 Ca -0.11 0.65 -0.41 0.00 -0.77 0.00 0.00 57.85 57.21 1a6j n ARG 22 Cb 0.60 -5.32 -0.02 0.00 -1.02 0.00 0.00 32.46 26.70 1a6j n ARG 22 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1a6j s VAL 23 N -2.80 2.59 -0.24 1.55 1.01 -0.59 -4.47 120.40 117.46 1a6j s VAL 23 Ca 0.13 0.53 -0.02 0.00 0.00 0.00 0.00 61.98 62.62 1a6j s VAL 23 Cb -0.06 -3.34 0.02 0.00 0.00 0.00 0.00 36.38 32.99 1a6j s VAL 23 CO 0.16 0.10 -0.06 -1.00 0.00 0.00 0.00 175.10 174.30 1a6j s HIS 24 N -0.39 3.03 -0.09 5.22 3.76 -1.26 0.43 115.29 125.99 1a6j s HIS 24 Ca 0.56 -1.39 -0.20 0.00 -0.15 0.00 0.00 55.06 53.89 1a6j s HIS 24 Cb -0.42 -2.07 0.04 0.00 1.11 0.00 0.00 32.58 31.24 1a6j s HIS 24 CO 0.48 -0.69 0.47 0.00 -0.85 0.00 0.00 174.74 174.15 1a6j n GLN 26 N 1.81 2.58 -3.88 0.00 6.02 -1.26 -4.87 117.38 117.79 1a6j n GLN 26 Ca -0.18 -2.42 -0.07 0.00 -0.01 0.00 0.00 57.00 54.32 1a6j n GLN 26 Cb 0.56 -1.52 -0.03 0.00 1.02 0.00 0.00 30.24 30.28 1a6j n GLN 26 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1a6j s SER 27 N -1.26 -0.23 0.11 1.08 1.04 -1.26 -4.93 113.70 108.25 1a6j s SER 27 Ca 0.42 -0.66 -0.14 0.00 0.48 0.00 0.00 55.95 56.05 1a6j s SER 27 Cb 0.23 0.70 -0.07 0.00 0.10 0.00 0.00 66.02 66.98 1a6j s SER 27 CO 0.31 -1.30 1.44 0.50 0.98 0.00 0.00 173.24 175.17 1a6j h LYS 28 N 2.05 0.76 -0.75 4.02 3.64 -1.96 -2.10 116.57 122.23 1a6j h LYS 28 Ca -0.21 -0.40 0.01 0.00 -1.27 0.00 0.00 60.65 58.79 1a6j h LYS 28 Cb 1.25 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.04 1a6j h LYS 28 CO 0.26 1.02 0.49 -0.22 -2.27 0.00 0.00 179.45 178.73 1a6j h LYS 29 N 0.53 0.97 -0.25 1.90 3.64 -1.96 0.37 116.57 121.77 1a6j h LYS 29 Ca 0.05 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1a6j h LYS 29 Cb 0.87 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1a6j h LYS 29 CO 0.08 0.64 -0.03 -0.09 -2.27 0.00 0.00 179.45 177.77 1a6j h ARG 30 N 1.00 0.46 -0.56 1.90 9.65 -1.96 -0.56 114.38 124.31 1a6j h ARG 30 Ca 0.28 -0.16 0.06 0.00 -1.10 0.00 0.00 59.98 59.06 1a6j h ARG 30 Cb -0.09 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.40 1a6j h ARG 30 CO -0.07 0.66 0.26 0.00 2.80 0.00 0.00 179.97 183.63 1a6j h ALA 31 N 0.78 0.72 0.00 2.80 0.00 -0.84 0.22 119.26 122.94 1a6j h ALA 31 Ca 0.07 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1a6j h ALA 31 Cb 0.48 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1a6j h ALA 31 CO 0.02 -0.11 -0.32 -0.07 0.00 0.00 0.00 179.25 178.78 1a6j h LEU 32 N 0.49 0.00 -0.09 0.00 3.38 -0.74 -1.71 115.31 116.65 1a6j h LEU 32 Ca 0.26 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 1a6j h LEU 32 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1a6j h LEU 32 CO -0.20 0.32 -0.26 -0.33 0.09 0.00 0.00 178.44 178.05 1a6j h GLU 33 N 0.00 0.34 -0.41 1.13 5.08 0.75 -2.02 114.58 119.45 1a6j h GLU 33 Ca -0.00 -0.24 0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1a6j h GLU 33 Cb 0.60 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 1a6j h GLU 33 CO 0.04 0.86 0.21 0.82 -1.00 0.00 0.00 179.01 179.93 1a6j h ILE 34 N -0.13 0.98 -0.86 3.13 2.04 -0.42 -0.27 117.51 121.98 1a6j h ILE 34 Ca -0.01 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 1a6j h ILE 34 Cb 0.88 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 1a6j h ILE 34 CO 0.06 0.08 0.53 0.40 0.00 0.00 0.00 178.15 179.21 1a6j h ILE 35 N 0.42 1.24 -0.82 -0.67 2.04 -1.36 -1.91 117.51 116.44 1a6j h ILE 35 Ca 0.17 -0.50 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 1a6j h ILE 35 Cb 0.08 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.12 1a6j h ILE 35 CO -0.12 0.24 0.36 0.28 0.00 0.00 0.00 178.15 178.92 1a6j h SER 36 N 1.19 1.10 0.45 1.72 0.02 -0.50 -2.31 113.55 115.22 1a6j h SER 36 Ca 0.31 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1a6j h SER 36 Cb -0.07 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.19 1a6j h SER 36 CO -0.06 0.95 -0.22 -0.33 -1.14 0.00 0.00 176.83 176.03 1a6j h GLU 37 N 1.18 -0.59 -0.84 3.45 5.08 -0.45 -0.68 114.58 121.74 1a6j h GLU 37 Ca 0.28 0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.84 1a6j h GLU 37 Cb 0.16 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 29.45 1a6j h GLU 37 CO -0.03 -0.32 0.40 -0.07 -1.00 0.00 0.00 179.01 177.99 1a6j h LEU 38 N -0.77 0.44 -0.18 1.33 3.38 -1.24 -0.54 115.31 117.73 1a6j h LEU 38 Ca -0.06 0.11 -0.21 0.00 0.09 0.00 0.00 57.88 57.81 1a6j h LEU 38 Cb 0.54 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1a6j h LEU 38 CO 0.10 0.16 -0.95 0.00 0.09 0.00 0.00 178.44 177.84 1a6j h ALA 39 N 1.58 0.44 -0.23 1.53 0.00 -1.41 -3.27 119.26 117.90 1a6j h ALA 39 Ca 0.47 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1a6j h ALA 39 Cb 0.73 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1a6j h ALA 39 CO -0.40 0.97 0.14 0.00 0.00 0.00 0.00 179.25 179.97 1a6j h ALA 40 N 0.93 0.29 -0.85 0.00 0.00 0.39 -1.54 119.26 118.49 1a6j h ALA 40 Ca -0.05 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 54.98 1a6j h ALA 40 Cb 1.61 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 19.21 1a6j h ALA 40 CO 0.14 -0.21 0.42 -0.22 0.00 0.00 0.00 179.25 179.38 1a6j h LYS 41 N 0.29 0.56 0.00 0.00 3.64 -1.31 0.36 116.57 120.11 1a6j h LYS 41 Ca 0.08 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.32 1a6j h LYS 41 Cb 0.01 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 1a6j h LYS 41 CO -0.02 0.37 -0.52 1.96 -2.27 0.00 0.00 179.45 178.98 1a6j h GLN 42 N 0.58 0.00 -0.01 1.90 1.08 -1.45 -3.09 115.11 114.12 1a6j h GLN 42 Ca 0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.67 1a6j h GLN 42 Cb 0.70 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.13 1a6j h GLN 42 CO -0.39 0.52 -0.68 1.28 -0.95 0.00 0.00 178.83 178.61 1a6j n LEU 43 N -3.66 1.33 -3.46 1.46 4.77 0.01 -4.96 117.00 112.49 1a6j n LEU 43 Ca -0.01 -0.52 -0.18 0.00 -0.03 0.00 0.00 56.01 55.27 1a6j n LEU 43 Cb 0.58 -0.04 0.07 0.00 -2.33 0.00 0.00 43.42 41.70 1a6j n LEU 43 CO 0.40 0.28 0.04 -1.20 -1.33 0.00 0.00 177.39 175.57 1a6j n SER 44 N -0.87 -3.27 -4.10 -1.43 7.64 0.10 -5.02 113.62 106.68 1a6j n SER 44 Ca 0.07 -0.72 -0.16 0.00 1.01 0.00 0.00 58.87 59.07 1a6j n SER 44 Cb 0.38 -4.79 -0.12 0.00 -1.01 0.00 0.00 64.21 58.67 1a6j n SER 44 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1a6j s LEU 45 N -6.18 2.23 0.06 -3.43 1.43 -1.06 -5.07 118.68 106.66 1a6j s LEU 45 Ca 0.15 -0.52 -0.31 0.00 -1.03 0.00 0.00 54.13 52.43 1a6j s LEU 45 Cb -0.03 -0.34 -0.06 0.00 0.03 0.00 0.00 46.19 45.79 1a6j s LEU 45 CO 0.76 -0.11 1.25 -2.16 0.23 0.00 0.00 176.35 176.32 1a6j s PRO 46 N -1.45 4.39 0.22 1.29 0.04 -1.26 -4.46 135.00 133.77 1a6j s PRO 46 Ca -0.05 1.84 -0.05 0.00 0.04 0.00 0.00 61.00 62.77 1a6j s PRO 46 Cb -0.09 -3.36 0.40 0.00 0.04 0.00 0.00 34.50 31.49 1a6j s PRO 46 CO 0.01 -0.33 1.23 -2.30 0.04 0.00 0.00 177.00 175.65 1a6j n PRO 47 N 4.14 -0.07 -0.34 0.56 -0.01 -1.26 -0.62 135.00 137.40 1a6j n PRO 47 Ca 0.10 1.22 0.29 0.00 -0.01 0.00 0.00 63.50 65.10 1a6j n PRO 47 Cb 0.45 -1.84 0.61 0.00 -0.01 0.00 0.00 33.50 32.71 1a6j n PRO 47 CO 0.00 0.00 0.00 -0.56 -0.01 0.00 0.00 175.50 174.93 1a6j h GLN 48 N 0.00 0.21 -0.15 -0.52 -0.00 -1.91 0.32 115.11 113.06 1a6j h GLN 48 Ca 0.39 -0.01 -0.10 0.00 -0.00 0.00 0.00 58.65 58.93 1a6j h GLN 48 Cb 0.64 -0.05 0.00 0.00 -0.00 0.00 0.00 27.48 28.07 1a6j h GLN 48 CO -0.80 0.14 -0.30 0.28 -0.00 0.00 0.00 178.83 178.15 1a6j h VAL 49 N 0.22 1.36 -0.70 1.86 2.07 -1.25 -1.45 116.25 118.35 1a6j h VAL 49 Ca 0.61 -1.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 1a6j h VAL 49 Cb 1.92 2.00 -0.03 0.00 -1.52 0.00 0.00 31.29 33.65 1a6j h VAL 49 CO -0.21 0.46 0.36 0.58 0.02 0.00 0.00 177.57 178.79 1a6j h VAL 50 N 0.07 1.23 -0.21 2.57 2.07 -0.58 -1.96 116.25 119.44 1a6j h VAL 50 Ca 0.00 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 1a6j h VAL 50 Cb 0.89 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1a6j h VAL 50 CO 0.07 0.26 0.13 0.15 0.02 0.00 0.00 177.57 178.19 1a6j h PHE 51 N 0.97 0.28 -0.95 1.57 3.57 -0.64 -1.91 116.94 119.84 1a6j h PHE 51 Ca 0.24 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.78 1a6j h PHE 51 Cb 0.09 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.68 1a6j h PHE 51 CO 0.00 0.23 0.62 0.93 -2.23 0.00 0.00 178.31 177.86 1a6j h GLU 52 N 0.25 1.17 0.12 1.11 4.39 -1.06 0.17 114.58 120.73 1a6j h GLU 52 Ca 0.08 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.72 1a6j h GLU 52 Cb 0.03 -0.26 -0.04 0.00 -0.10 0.00 0.00 28.75 28.39 1a6j h GLU 52 CO -0.01 0.77 -0.28 0.00 -1.16 0.00 0.00 179.01 178.33 1a6j h ALA 53 N 1.39 -0.47 -0.57 3.43 0.00 -0.66 0.10 119.26 122.48 1a6j h ALA 53 Ca 0.38 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 1a6j h ALA 53 Cb -0.00 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1a6j h ALA 53 CO -0.12 -0.82 0.02 0.82 0.00 0.00 0.00 179.25 179.15 1a6j h ILE 54 N -0.49 1.26 -0.76 0.00 2.04 -1.02 -2.99 117.51 115.55 1a6j h ILE 54 Ca 0.03 -1.08 -0.05 0.00 1.00 0.00 0.00 64.86 64.76 1a6j h ILE 54 Cb 0.52 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1a6j h ILE 54 CO -0.16 0.39 0.27 0.25 0.00 0.00 0.00 178.15 178.90 1a6j h LEU 55 N 0.90 1.09 -0.80 1.44 5.85 -0.25 -0.44 115.31 123.09 1a6j h LEU 55 Ca 0.17 -0.19 0.11 0.00 0.84 0.00 0.00 57.88 58.81 1a6j h LEU 55 Cb 0.50 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.16 1a6j h LEU 55 CO 0.02 0.99 0.42 0.74 -0.34 0.00 0.00 178.44 180.28 1a6j h THR 56 N 1.12 0.82 0.01 1.05 2.02 -0.65 0.44 112.91 117.72 1a6j h THR 56 Ca 0.25 -0.23 -0.18 0.00 0.77 0.00 0.00 66.41 67.02 1a6j h THR 56 Cb 0.27 0.09 0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1a6j h THR 56 CO -0.01 0.12 -0.69 -0.09 0.37 0.00 0.00 175.52 175.22 1a6j h ARG 57 N 0.67 0.45 -0.58 6.66 9.65 -1.50 -3.25 114.38 126.49 1a6j h ARG 57 Ca 0.41 -0.50 0.08 0.00 -1.10 0.00 0.00 59.98 58.87 1a6j h ARG 57 Cb 0.48 0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 29.17 1a6j h ARG 57 CO -0.30 1.15 0.39 1.49 2.80 0.00 0.00 179.97 185.50 1a6j h GLU 58 N -0.04 0.42 0.00 0.20 4.57 -0.47 0.24 114.58 119.50 1a6j h GLU 58 Ca -0.09 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1a6j h GLU 58 Cb 1.40 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 1a6j h GLU 58 CO 0.14 0.28 0.00 1.63 -1.18 0.00 0.00 179.01 179.88 1a6j n LYS 59 N -4.47 0.10 0.00 1.92 5.02 0.09 -2.16 118.16 118.66 1a6j n LYS 59 Ca 0.09 0.32 -0.06 0.00 -2.02 0.00 0.00 58.31 56.64 1a6j n LYS 59 Cb 0.33 -1.69 -0.12 0.00 -0.02 0.00 0.00 35.03 33.53 1a6j n LYS 59 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 1a6j h MET 60 N 0.00 0.00 0.00 1.97 2.86 -0.60 -3.48 114.93 115.67 1a6j h MET 60 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1a6j h MET 60 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1a6j h MET 60 CO 0.00 0.48 0.00 0.41 1.06 0.00 0.00 176.91 178.86 1a6j n GLY 61 N 1.48 1.55 3.72 8.32 0.00 -0.92 -5.13 105.19 114.21 1a6j n GLY 61 Ca -0.13 0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1a6j n GLY 61 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1a6j n SER 62 N 0.00 3.52 -0.71 1.61 2.88 -1.24 -4.43 113.62 115.25 1a6j n SER 62 Ca 0.00 1.13 0.05 0.00 -1.33 0.00 0.00 58.87 58.72 1a6j n SER 62 Cb 0.00 -1.53 0.15 0.00 -0.75 0.00 0.00 64.21 62.08 1a6j n SER 62 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1a6j n THR 63 N 2.41 0.60 -2.82 2.46 -2.24 -1.26 -4.77 114.28 108.65 1a6j n THR 63 Ca 0.11 -0.47 -0.43 0.00 -2.27 0.00 0.00 64.05 60.99 1a6j n THR 63 Cb 0.34 0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.62 1a6j n THR 63 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1a6j s GLY 64 N -0.86 1.38 -0.03 3.38 0.00 -1.26 -1.01 107.32 108.92 1a6j s GLY 64 Ca 0.22 -1.28 0.04 0.00 0.00 0.00 0.00 44.72 43.71 1a6j s GLY 64 CO 0.13 2.08 0.95 0.29 0.00 0.00 0.00 173.10 176.55 1a6j n ILE 65 N 6.20 0.43 0.00 0.90 -5.35 -0.88 -2.28 119.36 118.37 1a6j n ILE 65 Ca 0.02 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 1a6j n ILE 65 Cb 0.47 -0.18 0.00 0.00 -1.74 0.00 0.00 39.64 38.20 1a6j n ILE 65 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a6j n GLY 66 N 0.45 0.95 3.53 3.28 0.00 -1.25 -4.92 105.19 107.22 1a6j n GLY 66 Ca 0.06 -1.75 -0.20 0.00 0.00 0.00 0.00 46.02 44.13 1a6j n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a6j n ASN 67 N -0.50 -3.48 -1.17 1.61 3.02 -1.26 -2.87 115.26 110.61 1a6j n ASN 67 Ca 0.00 -0.62 -0.15 0.00 -0.03 0.00 0.00 54.58 53.78 1a6j n ASN 67 Cb 0.00 -4.96 -0.07 0.00 -0.61 0.00 0.00 39.78 34.15 1a6j n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a6j n GLY 68 N -1.48 1.50 3.55 7.41 0.00 -1.25 -4.98 105.19 109.95 1a6j n GLY 68 Ca -0.18 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 1a6j n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a6j s ILE 69 N -2.42 3.49 -0.01 -0.61 -1.09 -1.14 -1.95 121.20 117.47 1a6j s ILE 69 Ca 0.00 -0.56 -0.00 0.00 -2.23 0.00 0.00 60.65 57.86 1a6j s ILE 69 Cb 0.00 -2.41 0.01 0.00 -1.58 0.00 0.00 42.46 38.48 1a6j s ILE 69 CO 0.00 0.59 0.03 0.00 -1.23 0.00 0.00 174.94 174.33 1a6j s ALA 70 N -0.76 -0.01 -0.65 9.38 0.00 -0.60 -2.07 121.76 127.05 1a6j s ALA 70 Ca 0.12 0.16 0.05 0.00 0.00 0.00 0.00 51.96 52.29 1a6j s ALA 70 Cb -0.11 -0.12 0.18 0.00 0.00 0.00 0.00 23.12 23.07 1a6j s ALA 70 CO 0.01 -0.05 0.49 -0.89 0.00 0.00 0.00 175.76 175.32 1a6j n ILE 71 N 3.50 1.17 -2.13 0.00 5.41 -0.18 -1.93 119.36 125.18 1a6j n ILE 71 Ca -0.18 -4.63 -0.39 0.00 1.00 0.00 0.00 62.75 58.54 1a6j n ILE 71 Cb 0.56 -2.09 -0.01 0.00 -0.71 0.00 0.00 39.64 37.39 1a6j n ILE 71 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1a6j s PRO 72 N -1.27 4.02 0.01 0.38 0.02 -1.16 -4.84 135.00 132.16 1a6j s PRO 72 Ca 0.27 2.06 -0.25 0.00 0.02 0.00 0.00 61.00 63.11 1a6j s PRO 72 Cb -0.01 -2.76 0.06 0.00 0.02 0.00 0.00 34.50 31.81 1a6j s PRO 72 CO -0.16 -0.42 0.55 -3.38 -0.33 0.00 0.00 177.00 173.26 1a6j s HIS 73 N -1.30 -0.48 0.05 6.54 -3.43 -1.26 -1.41 115.29 114.00 1a6j s HIS 73 Ca 0.56 0.68 -0.27 0.00 -0.80 0.00 0.00 55.06 55.24 1a6j s HIS 73 Cb -0.36 0.34 0.07 0.00 -1.43 0.00 0.00 32.58 31.21 1a6j s HIS 73 CO 0.46 -0.61 0.65 0.20 -2.00 0.00 0.00 174.74 173.45 1a6j s GLY 74 N -1.62 -0.59 -0.10 -1.38 0.00 -0.97 -4.51 107.32 98.16 1a6j s GLY 74 Ca -0.08 0.92 -0.04 0.00 0.00 0.00 0.00 44.72 45.52 1a6j s GLY 74 CO 0.03 0.55 0.05 -1.59 0.00 0.00 0.00 173.10 172.14 1a6j s LYS 75 N -2.52 3.14 0.00 2.90 -2.85 -1.26 -1.38 119.74 117.77 1a6j s LYS 75 Ca -0.04 -0.31 0.00 0.00 -1.00 0.00 0.00 55.97 54.61 1a6j s LYS 75 Cb -0.01 -2.93 0.00 0.00 -2.06 0.00 0.00 37.83 32.83 1a6j s LYS 75 CO -0.02 0.73 0.00 1.28 0.10 0.00 0.00 175.35 177.44 1a6j n LEU 76 N 2.06 0.00 -4.86 2.77 4.77 0.75 -4.84 117.00 117.66 1a6j n LEU 76 Ca -0.19 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.48 1a6j n LEU 76 Cb 0.54 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1a6j n LEU 76 CO 0.29 0.00 0.61 -1.61 -1.33 0.00 0.00 177.39 175.36 1a6j s GLU 77 N 2.30 3.82 0.50 3.23 0.41 -1.26 -1.20 118.70 126.50 1a6j s GLU 77 Ca 0.00 0.75 0.16 0.00 -0.41 0.00 0.00 54.97 55.47 1a6j s GLU 77 Cb 0.00 -2.21 1.21 0.00 -1.78 0.00 0.00 34.13 31.35 1a6j s GLU 77 CO 0.00 -0.26 2.10 0.93 -0.49 0.00 0.00 175.26 177.54 1a6j h GLU 78 N 0.74 0.00 0.00 1.61 5.08 -1.96 -1.97 114.58 118.08 1a6j h GLU 78 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1a6j h GLU 78 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1a6j h GLU 78 CO 0.62 0.06 0.00 -0.40 -1.00 0.00 0.00 179.01 178.29 1a6j n ASP 79 N -4.43 0.00 0.21 1.42 5.68 -1.26 -2.83 116.55 115.34 1a6j n ASP 79 Ca -0.03 0.15 0.08 0.00 -0.50 0.00 0.00 54.79 54.49 1a6j n ASP 79 Cb 0.14 -0.25 0.47 0.00 -1.14 0.00 0.00 41.12 40.34 1a6j n ASP 79 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1a6j h THR 80 N 0.00 0.83 0.00 2.12 2.02 -1.75 -3.46 112.91 112.67 1a6j h THR 80 Ca 0.00 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.05 1a6j h THR 80 Cb 0.05 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1a6j h THR 80 CO 0.00 0.28 0.00 0.00 0.37 0.00 0.00 175.52 176.17 1a6j n LEU 81 N -3.66 0.00 -3.71 2.58 -0.00 -1.13 -4.83 117.00 106.25 1a6j n LEU 81 Ca -0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.90 1a6j n LEU 81 Cb 0.40 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.76 1a6j n LEU 81 CO 0.35 0.00 0.07 0.00 -0.00 0.00 0.00 177.39 177.81 1a6j s ARG 82 N 0.00 0.97 -0.08 1.47 1.70 -1.26 -5.09 118.95 116.66 1a6j s ARG 82 Ca 0.00 -0.75 -0.10 0.00 -0.47 0.00 0.00 55.73 54.40 1a6j s ARG 82 Cb 0.00 0.42 -0.05 0.00 -0.57 0.00 0.00 34.95 34.75 1a6j s ARG 82 CO 0.00 -0.35 0.25 0.00 -1.08 0.00 0.00 175.30 174.12 1a6j s ALA 83 N -3.65 3.79 -0.08 7.88 0.00 -1.26 -4.52 121.76 123.91 1a6j s ALA 83 Ca 0.02 -0.46 0.05 0.00 0.00 0.00 0.00 51.96 51.57 1a6j s ALA 83 Cb 0.02 -2.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.98 1a6j s ALA 83 CO -0.11 0.53 -0.24 0.08 0.00 0.00 0.00 175.76 176.03 1a6j s VAL 84 N -0.95 2.13 0.15 0.00 1.01 -0.51 -4.69 120.40 117.55 1a6j s VAL 84 Ca 0.18 -1.02 0.09 0.00 0.00 0.00 0.00 61.98 61.23 1a6j s VAL 84 Cb -0.14 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1a6j s VAL 84 CO 0.08 0.56 -0.11 -0.83 0.00 0.00 0.00 175.10 174.80 1a6j s GLY 85 N 0.10 1.74 -0.01 4.51 0.00 0.04 -0.38 107.32 113.31 1a6j s GLY 85 Ca -0.11 -1.41 0.03 0.00 0.00 0.00 0.00 44.72 43.23 1a6j s GLY 85 CO 0.06 -1.41 -0.10 0.14 0.00 0.00 0.00 173.10 171.79 1a6j s VAL 86 N -1.51 0.82 -0.13 1.40 1.01 0.37 -4.60 120.40 117.76 1a6j s VAL 86 Ca 0.23 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 1a6j s VAL 86 Cb -0.10 -0.69 0.04 0.00 0.00 0.00 0.00 36.38 35.64 1a6j s VAL 86 CO 0.14 0.23 0.02 0.12 0.00 0.00 0.00 175.10 175.62 1a6j s PHE 87 N -0.19 0.75 0.02 5.22 5.36 0.03 -0.72 117.98 128.45 1a6j s PHE 87 Ca 0.03 -0.43 0.07 0.00 -0.96 0.00 0.00 56.93 55.64 1a6j s PHE 87 Cb -0.05 -0.87 -0.02 0.00 -0.34 0.00 0.00 43.02 41.74 1a6j s PHE 87 CO -0.00 -0.45 -0.22 0.14 -1.46 0.00 0.00 175.22 173.23 1a6j s VAL 88 N 1.95 1.76 -0.27 3.12 -7.23 -0.76 -0.51 120.40 118.46 1a6j s VAL 88 Ca 0.03 -1.13 -0.02 0.00 -1.81 0.00 0.00 61.98 59.04 1a6j s VAL 88 Cb -0.14 -1.50 0.03 0.00 0.56 0.00 0.00 36.38 35.33 1a6j s VAL 88 CO -0.07 0.33 -0.04 -1.58 -0.31 0.00 0.00 175.10 173.44 1a6j s GLN 89 N -0.95 2.71 0.29 4.82 0.74 -0.93 -2.18 119.66 124.16 1a6j s GLN 89 Ca 0.08 -1.07 -0.27 0.00 0.05 0.00 0.00 55.36 54.16 1a6j s GLN 89 Cb -0.09 -3.06 -0.10 0.00 1.10 0.00 0.00 33.01 30.87 1a6j s GLN 89 CO 0.01 -0.47 0.93 -0.51 -0.55 0.00 0.00 175.29 174.70 1a6j s LEU 90 N 1.30 4.43 0.25 3.68 1.43 -0.05 -1.53 118.68 128.19 1a6j s LEU 90 Ca -0.02 1.85 0.01 0.00 -1.03 0.00 0.00 54.13 54.95 1a6j s LEU 90 Cb -0.18 -3.87 0.30 0.00 0.03 0.00 0.00 46.19 42.47 1a6j s LEU 90 CO -0.03 0.00 1.63 -0.08 0.23 0.00 0.00 176.35 178.10 1a6j h GLU 91 N 3.47 0.44 -4.20 1.70 4.57 -0.24 -3.42 114.58 116.91 1a6j h GLU 91 Ca -0.46 -0.22 -0.49 0.00 -1.18 0.00 0.00 59.36 57.01 1a6j h GLU 91 Cb 1.19 0.00 -0.36 0.00 -0.16 0.00 0.00 28.75 29.43 1a6j h GLU 91 CO 0.66 0.78 -0.80 0.95 -1.18 0.00 0.00 179.01 179.42 1a6j s THR 92 N -4.20 0.88 0.46 0.32 -4.23 -1.26 -5.06 115.64 102.54 1a6j s THR 92 Ca -0.06 -0.25 -0.25 0.00 -1.18 0.00 0.00 61.69 59.94 1a6j s THR 92 Cb 0.13 -0.88 -0.08 0.00 1.34 0.00 0.00 72.50 73.00 1a6j s THR 92 CO 0.80 0.32 1.43 -0.81 -0.54 0.00 0.00 174.62 175.83 1a6j n PRO 93 N 4.50 2.22 -4.25 3.99 -0.04 -1.26 -4.84 135.00 135.32 1a6j n PRO 93 Ca -0.17 0.79 -0.28 0.00 -0.04 0.00 0.00 63.50 63.81 1a6j n PRO 93 Cb 0.51 -2.63 -0.09 0.00 -0.04 0.00 0.00 33.50 31.24 1a6j n PRO 93 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1a6j s ILE 94 N -1.20 3.36 0.20 0.52 -4.36 0.30 -4.78 121.20 115.23 1a6j s ILE 94 Ca 0.62 -1.47 -0.30 0.00 -0.26 0.00 0.00 60.65 59.24 1a6j s ILE 94 Cb -0.45 -2.63 -0.09 0.00 1.25 0.00 0.00 42.46 40.54 1a6j s ILE 94 CO 0.57 -0.03 1.36 0.00 0.24 0.00 0.00 174.94 177.08 1a6j s ALA 95 N -1.53 3.57 -0.03 2.27 0.00 -1.26 -0.26 121.76 124.52 1a6j s ALA 95 Ca 0.24 1.18 0.04 0.00 0.00 0.00 0.00 51.96 53.42 1a6j s ALA 95 Cb -0.10 -3.51 0.06 0.00 0.00 0.00 0.00 23.12 19.57 1a6j s ALA 95 CO 0.15 -0.61 0.91 0.34 0.00 0.00 0.00 175.76 176.56 1a6j n PHE 96 N 2.70 0.00 -2.53 0.00 7.35 -1.26 -4.33 117.46 119.38 1a6j n PHE 96 Ca 0.07 -0.43 -0.21 0.00 -0.76 0.00 0.00 57.45 56.13 1a6j n PHE 96 Cb 0.42 -0.06 0.00 0.00 0.35 0.00 0.00 39.48 40.19 1a6j n PHE 96 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1a6j n ASP 97 N -0.52 -5.83 -4.71 -2.13 2.03 -1.26 -4.75 116.55 99.38 1a6j n ASP 97 Ca 0.03 -0.08 -0.33 0.00 0.52 0.00 0.00 54.79 54.93 1a6j n ASP 97 Cb 0.43 -4.80 0.12 0.00 -0.72 0.00 0.00 41.12 36.15 1a6j n ASP 97 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a6j s ALA 98 N -3.05 1.91 0.57 -1.67 0.00 -1.26 -4.77 121.76 113.48 1a6j s ALA 98 Ca 0.07 0.77 0.29 0.00 0.00 0.00 0.00 51.96 53.09 1a6j s ALA 98 Cb -0.03 -3.46 1.47 0.00 0.00 0.00 0.00 23.12 21.10 1a6j s ALA 98 CO 0.09 -2.18 1.93 0.82 0.00 0.00 0.00 175.76 176.42 1a6j h ILE 99 N -0.86 0.49 0.00 0.00 5.03 -1.80 -2.17 117.51 118.20 1a6j h ILE 99 Ca -0.46 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.28 1a6j h ILE 99 Cb 1.29 0.65 0.00 0.00 -3.03 0.00 0.00 36.82 35.72 1a6j h ILE 99 CO 0.47 0.00 -0.03 -0.90 -0.68 0.00 0.00 178.15 177.01 1a6j n ASP 100 N -3.98 2.13 0.00 1.72 5.75 -1.26 -5.00 116.55 115.91 1a6j n ASP 100 Ca 0.10 -2.87 0.00 0.00 -0.01 0.00 0.00 54.79 52.01 1a6j n ASP 100 Cb 0.69 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 1a6j n ASP 100 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1a6j n ASN 101 N -1.22 0.00 -4.74 -1.12 2.85 -0.82 -4.96 115.26 105.25 1a6j n ASN 101 Ca 0.13 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.22 1a6j n ASN 101 Cb 0.60 0.00 0.06 0.00 1.24 0.00 0.00 39.78 41.67 1a6j n ASN 101 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 1a6j s GLN 102 N 0.00 2.81 0.59 1.20 0.74 -1.26 -4.72 119.66 119.01 1a6j s GLN 102 Ca 0.00 2.14 -0.14 0.00 0.05 0.00 0.00 55.36 57.40 1a6j s GLN 102 Cb 0.00 -2.02 -0.04 0.00 1.10 0.00 0.00 33.01 32.05 1a6j s GLN 102 CO 0.00 -1.42 1.03 -1.25 -0.55 0.00 0.00 175.29 173.10 1a6j s PRO 103 N -3.18 3.49 -0.04 1.67 0.04 -1.26 -4.55 135.00 131.18 1a6j s PRO 103 Ca 0.78 1.01 -0.00 0.00 0.04 0.00 0.00 61.00 62.83 1a6j s PRO 103 Cb -0.39 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 1a6j s PRO 103 CO 0.43 -0.65 0.00 0.08 0.04 0.00 0.00 177.00 176.90 1a6j s VAL 104 N -2.73 4.23 0.00 -0.36 1.01 0.64 -3.79 120.40 119.41 1a6j s VAL 104 Ca 0.60 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1a6j s VAL 104 Cb -0.13 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1a6j s VAL 104 CO 0.41 0.48 0.05 -0.90 0.00 0.00 0.00 175.10 175.14 1a6j n ASP 105 N 1.74 0.09 -3.99 3.32 5.68 -0.82 -0.54 116.55 122.03 1a6j n ASP 105 Ca -0.16 -0.52 -0.30 0.00 -0.50 0.00 0.00 54.79 53.31 1a6j n ASP 105 Cb 0.53 0.10 -0.16 0.00 -1.14 0.00 0.00 41.12 40.45 1a6j n ASP 105 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1a6j s LEU 106 N -0.21 1.76 -0.05 -2.12 1.43 -0.89 -0.87 118.68 117.74 1a6j s LEU 106 Ca 0.00 -0.58 0.02 0.00 -1.03 0.00 0.00 54.13 52.54 1a6j s LEU 106 Cb 0.00 -1.13 0.01 0.00 0.03 0.00 0.00 46.19 45.10 1a6j s LEU 106 CO 0.00 -0.10 -0.10 -0.76 0.23 0.00 0.00 176.35 175.62 1a6j s LEU 107 N 1.51 1.67 -0.20 1.79 1.02 -0.93 -1.55 118.68 121.98 1a6j s LEU 107 Ca 0.03 -0.24 0.01 0.00 0.02 0.00 0.00 54.13 53.95 1a6j s LEU 107 Cb -0.14 -0.69 0.04 0.00 0.02 0.00 0.00 46.19 45.43 1a6j s LEU 107 CO -0.10 0.04 -0.12 0.12 0.02 0.00 0.00 176.35 176.32 1a6j s PHE 108 N 0.48 2.58 -0.08 0.29 2.19 -0.82 -1.83 117.98 120.80 1a6j s PHE 108 Ca -0.09 -1.70 -0.01 0.00 0.33 0.00 0.00 56.93 55.45 1a6j s PHE 108 Cb -0.13 -1.72 -0.03 0.00 -1.31 0.00 0.00 43.02 39.83 1a6j s PHE 108 CO 0.02 -0.77 -0.01 0.00 1.83 0.00 0.00 175.22 176.28 1a6j s ALA 109 N 1.34 3.22 -0.18 11.12 0.00 0.10 -2.97 121.76 134.39 1a6j s ALA 109 Ca -0.02 -0.82 -0.00 0.00 0.00 0.00 0.00 51.96 51.12 1a6j s ALA 109 Cb -0.16 -1.43 0.04 0.00 0.00 0.00 0.00 23.12 21.57 1a6j s ALA 109 CO -0.08 0.58 -0.06 -1.17 0.00 0.00 0.00 175.76 175.03 1a6j s LEU 110 N -0.85 1.87 -0.35 0.00 2.96 -0.50 -0.48 118.68 121.33 1a6j s LEU 110 Ca 0.13 -0.79 -0.15 0.00 -0.22 0.00 0.00 54.13 53.10 1a6j s LEU 110 Cb -0.11 -1.01 -0.01 0.00 0.50 0.00 0.00 46.19 45.56 1a6j s LEU 110 CO 0.02 -0.19 0.32 -0.76 -1.32 0.00 0.00 176.35 174.43 1a6j s LEU 111 N 1.56 4.56 -0.11 -0.68 2.01 0.48 -2.28 118.68 124.22 1a6j s LEU 111 Ca -0.01 -0.39 0.01 0.00 0.01 0.00 0.00 54.13 53.75 1a6j s LEU 111 Cb -0.16 -2.26 -0.02 0.00 0.01 0.00 0.00 46.19 43.76 1a6j s LEU 111 CO -0.08 -0.34 -0.13 -0.69 1.01 0.00 0.00 176.35 176.13 1a6j s VAL 112 N 1.90 3.10 0.52 -1.59 1.01 -0.48 -1.43 120.40 123.43 1a6j s VAL 112 Ca 0.09 -0.66 -0.22 0.00 0.00 0.00 0.00 61.98 61.19 1a6j s VAL 112 Cb -0.17 -2.28 -0.06 0.00 0.00 0.00 0.00 36.38 33.87 1a6j s VAL 112 CO 0.11 0.54 1.32 -2.84 0.00 0.00 0.00 175.10 174.24 1a6j s PRO 113 N 0.06 3.31 0.38 2.72 0.02 -1.26 -0.18 135.00 140.05 1a6j s PRO 113 Ca -0.05 2.15 0.17 0.00 0.02 0.00 0.00 61.00 63.30 1a6j s PRO 113 Cb -0.14 -2.32 1.08 0.00 0.02 0.00 0.00 34.50 33.14 1a6j s PRO 113 CO 0.04 -1.03 1.74 0.00 -0.33 0.00 0.00 177.00 177.42 1a6j h ALA 114 N 1.65 2.16 -0.30 -1.55 0.00 -1.32 -1.29 119.26 118.60 1a6j h ALA 114 Ca -0.51 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1a6j h ALA 114 Cb 1.29 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1a6j h ALA 114 CO 0.58 -0.62 0.00 -0.40 0.00 0.00 0.00 179.25 178.81 1a6j n ASP 115 N -4.73 2.22 -0.38 0.00 5.75 -1.26 -3.91 116.55 114.24 1a6j n ASP 115 Ca 0.27 -2.14 0.02 0.00 -0.01 0.00 0.00 54.79 52.93 1a6j n ASP 115 Cb 0.91 -0.34 0.03 0.00 -1.03 0.00 0.00 41.12 40.69 1a6j n ASP 115 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1a6j n GLN 116 N 0.40 0.32 0.21 0.11 6.02 -0.49 -4.84 117.38 119.11 1a6j n GLN 116 Ca 0.11 -1.33 0.06 0.00 -0.01 0.00 0.00 57.00 55.83 1a6j n GLN 116 Cb 0.41 -0.73 0.47 0.00 1.02 0.00 0.00 30.24 31.42 1a6j n GLN 116 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1a6j h THR 117 N 5.20 1.05 -0.23 5.09 1.35 -1.67 -2.29 112.91 121.40 1a6j h THR 117 Ca 0.00 -0.98 -0.10 0.00 -0.55 0.00 0.00 66.41 64.79 1a6j h THR 117 Cb 1.28 1.55 -0.00 0.00 -1.73 0.00 0.00 68.15 69.25 1a6j h THR 117 CO 0.00 0.27 -0.24 0.11 -0.25 0.00 0.00 175.52 175.41 1a6j h LYS 118 N 0.00 0.57 -0.05 4.72 1.79 -1.90 -2.85 116.57 118.85 1a6j h LYS 118 Ca -0.00 -0.30 -0.01 0.00 -2.18 0.00 0.00 60.65 58.16 1a6j h LYS 118 Cb 0.53 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1a6j h LYS 118 CO 0.04 0.90 0.00 1.15 -1.08 0.00 0.00 179.45 180.45 1a6j h THR 119 N 0.27 1.23 0.00 -0.16 2.02 -1.91 -2.99 112.91 111.38 1a6j h THR 119 Ca 0.04 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.51 1a6j h THR 119 Cb 0.79 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 1a6j h THR 119 CO 0.06 0.19 0.00 1.41 0.37 0.00 0.00 175.52 177.55 1a6j n HIS 120 N -4.90 0.00 0.18 3.16 8.25 -0.87 -1.47 115.22 119.56 1a6j n HIS 120 Ca -0.07 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.43 1a6j n HIS 120 Cb 0.17 -0.03 0.32 0.00 1.12 0.00 0.00 29.99 31.57 1a6j n HIS 120 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1a6j h LEU 121 N 0.00 0.00 -0.36 2.41 5.85 -1.34 -1.00 115.31 120.87 1a6j h LEU 121 Ca 0.00 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.54 1a6j h LEU 121 Cb 0.01 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1a6j h LEU 121 CO 0.00 0.43 -0.82 0.45 -0.34 0.00 0.00 178.44 178.15 1a6j h HIS 122 N 0.00 0.12 -0.24 1.25 3.86 -1.44 -1.42 115.15 117.29 1a6j h HIS 122 Ca -0.00 -0.06 -0.14 0.00 -1.16 0.00 0.00 60.37 59.01 1a6j h HIS 122 Cb 0.87 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.32 1a6j h HIS 122 CO 0.00 0.87 -0.38 1.15 0.86 0.00 0.00 177.93 180.42 1a6j h THR 123 N 0.04 1.31 -0.00 2.45 2.02 -1.50 -1.92 112.91 115.32 1a6j h THR 123 Ca -0.02 -1.59 0.00 0.00 0.77 0.00 0.00 66.41 65.57 1a6j h THR 123 Cb 1.44 1.75 -0.00 0.00 -1.74 0.00 0.00 68.15 69.61 1a6j h THR 123 CO 0.12 0.50 0.00 0.25 0.37 0.00 0.00 175.52 176.76 1a6j h LEU 124 N 0.39 0.00 -0.56 2.58 5.85 -1.14 -1.25 115.31 121.17 1a6j h LEU 124 Ca 0.02 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.81 1a6j h LEU 124 Cb 0.98 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.94 1a6j h LEU 124 CO 0.09 0.01 0.20 -1.28 -0.34 0.00 0.00 178.44 177.12 1a6j h SER 125 N -0.01 0.19 0.07 1.25 0.87 -1.23 -0.81 113.55 113.88 1a6j h SER 125 Ca 0.00 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1a6j h SER 125 Cb 0.01 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1a6j h SER 125 CO -0.00 0.12 -0.03 0.25 -0.53 0.00 0.00 176.83 176.64 1a6j h LEU 126 N 0.38 -0.08 0.57 2.23 6.46 -1.08 -0.81 115.31 122.97 1a6j h LEU 126 Ca 0.28 -0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.95 1a6j h LEU 126 Cb 0.33 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 1a6j h LEU 126 CO -0.29 0.02 -0.39 0.58 -0.62 0.00 0.00 178.44 177.74 1a6j h VAL 127 N -0.18 0.21 -0.41 1.05 2.07 -0.87 0.82 116.25 118.94 1a6j h VAL 127 Ca -0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.60 1a6j h VAL 127 Cb 0.15 0.21 -0.09 0.00 -1.52 0.00 0.00 31.29 30.04 1a6j h VAL 127 CO 0.02 0.00 -0.19 0.00 0.02 0.00 0.00 177.57 177.42 1a6j h ALA 128 N -0.61 0.13 -0.85 1.67 0.00 -1.14 0.98 119.26 119.44 1a6j h ALA 128 Ca -0.07 0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.08 1a6j h ALA 128 Cb 0.76 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 1a6j h ALA 128 CO 0.04 -0.54 0.50 -0.22 0.00 0.00 0.00 179.25 179.03 1a6j h LYS 129 N -0.11 0.84 -0.31 0.00 1.63 -0.88 -1.89 116.57 115.87 1a6j h LYS 129 Ca 0.20 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.92 1a6j h LYS 129 Cb 0.42 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 1a6j h LYS 129 CO -0.48 0.56 0.05 -0.09 -3.45 0.00 0.00 179.45 176.04 1a6j h ARG 130 N 0.87 0.51 0.00 1.90 2.43 0.15 -2.36 114.38 117.88 1a6j h ARG 130 Ca 0.39 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1a6j h ARG 130 Cb 0.30 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1a6j h ARG 130 CO -0.22 0.60 0.00 1.28 -1.51 0.00 0.00 179.97 180.12 1a6j n LEU 131 N -4.63 0.00 0.13 3.80 4.77 -0.30 -1.92 117.00 118.85 1a6j n LEU 131 Ca -0.02 0.12 0.12 0.00 -0.03 0.00 0.00 56.01 56.20 1a6j n LEU 131 Cb 0.21 -0.12 0.25 0.00 -2.33 0.00 0.00 43.42 41.42 1a6j n LEU 131 CO 0.38 -0.05 0.67 0.00 -1.33 0.00 0.00 177.39 177.06 1a6j h ALA 132 N 3.07 0.87 -2.31 -1.18 0.00 -0.85 -3.44 119.26 115.41 1a6j h ALA 132 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1a6j h ALA 132 Cb 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1a6j h ALA 132 CO 0.00 0.00 0.49 0.34 0.00 0.00 0.00 179.25 180.08 1a6j s ASP 133 N -5.08 7.10 0.25 0.00 -1.08 -0.81 -4.96 116.67 112.08 1a6j s ASP 133 Ca 0.07 1.35 -0.05 0.00 -0.52 0.00 0.00 52.55 53.41 1a6j s ASP 133 Cb 0.10 -2.51 0.27 0.00 -1.46 0.00 0.00 42.92 39.33 1a6j s ASP 133 CO 0.66 -0.43 1.81 0.11 0.52 0.00 0.00 175.17 177.84 1a6j h LYS 134 N 7.22 1.05 -0.29 4.34 1.57 -1.88 -2.75 116.57 125.82 1a6j h LYS 134 Ca -0.30 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.20 1a6j h LYS 134 Cb 1.13 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 1a6j h LYS 134 CO 0.85 0.87 -0.19 0.00 -0.57 0.00 0.00 179.45 180.41 1a6j h THR 135 N 1.03 1.30 -0.60 -0.16 1.03 -1.96 -0.63 112.91 112.91 1a6j h THR 135 Ca 0.23 -1.32 0.10 0.00 -0.01 0.00 0.00 66.41 65.41 1a6j h THR 135 Cb 0.22 1.51 -0.08 0.00 -1.07 0.00 0.00 68.15 68.74 1a6j h THR 135 CO -0.02 0.42 0.18 0.40 -0.01 0.00 0.00 175.52 176.50 1a6j h ILE 136 N 0.40 0.71 -0.56 0.00 1.08 -1.88 -1.00 117.51 116.26 1a6j h ILE 136 Ca 0.06 -0.12 -0.03 0.00 -0.39 0.00 0.00 64.86 64.38 1a6j h ILE 136 Cb 0.73 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 34.80 1a6j h ILE 136 CO 0.05 0.06 0.22 0.00 -0.69 0.00 0.00 178.15 177.79 1a6j h ARG 138 N 0.77 0.16 0.02 0.00 2.47 -0.29 -0.58 114.38 116.94 1a6j h ARG 138 Ca 0.19 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.90 1a6j h ARG 138 Cb 0.21 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 1a6j h ARG 138 CO -0.01 0.11 -0.01 0.00 0.56 0.00 0.00 179.97 180.62 1a6j h ARG 139 N 0.17 -0.03 -0.81 0.04 3.08 -0.89 -2.61 114.38 113.33 1a6j h ARG 139 Ca 0.09 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.22 1a6j h ARG 139 Cb 0.05 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 1a6j h ARG 139 CO -0.09 0.02 0.53 -0.07 -1.07 0.00 0.00 179.97 179.29 1a6j h LEU 140 N -0.07 0.71 -0.31 3.04 3.38 -0.53 0.39 115.31 121.92 1a6j h LEU 140 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1a6j h LEU 140 Cb 0.06 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1a6j h LEU 140 CO 0.00 0.43 0.00 0.54 0.09 0.00 0.00 178.44 179.51 1a6j n ARG 141 N -4.50 0.22 -0.00 1.13 1.74 -0.26 -3.35 116.66 111.63 1a6j n ARG 141 Ca 0.13 0.30 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 1a6j n ARG 141 Cb 0.29 -1.82 -0.11 0.00 -1.02 0.00 0.00 32.46 29.80 1a6j n ARG 141 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a6j n ALA 142 N -1.77 2.02 -1.54 7.54 0.00 0.06 -4.97 120.51 121.85 1a6j n ALA 142 Ca 0.04 -0.70 -0.42 0.00 0.00 0.00 0.00 53.44 52.36 1a6j n ALA 142 Cb 0.33 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1a6j n ALA 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6j n ALA 143 N -2.44 -0.62 0.29 0.00 0.00 -0.78 -4.92 120.51 112.04 1a6j n ALA 143 Ca -0.13 0.25 0.03 0.00 0.00 0.00 0.00 53.44 53.59 1a6j n ALA 143 Cb 0.85 -1.94 0.01 0.00 0.00 0.00 0.00 19.45 18.37 1a6j n ALA 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1a6j n GLN 144 N 0.44 1.21 -4.05 0.00 6.02 -1.26 -4.89 117.38 114.84 1a6j n GLN 144 Ca 0.11 -0.69 -0.10 0.00 -0.01 0.00 0.00 57.00 56.30 1a6j n GLN 144 Cb 0.37 -1.05 -0.11 0.00 1.02 0.00 0.00 30.24 30.47 1a6j n GLN 144 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1a6j s SER 145 N -0.83 0.64 0.40 1.08 1.04 -1.26 -4.92 113.70 109.84 1a6j s SER 145 Ca 0.07 -0.67 0.07 0.00 0.48 0.00 0.00 55.95 55.90 1a6j s SER 145 Cb 0.06 0.09 0.81 0.00 0.10 0.00 0.00 66.02 67.08 1a6j s SER 145 CO 0.13 -0.33 2.01 0.44 0.98 0.00 0.00 173.24 176.47 1a6j h ASP 146 N 4.13 0.45 -0.09 7.02 5.19 -1.92 -0.74 116.42 130.46 1a6j h ASP 146 Ca -0.34 -0.03 -0.20 0.00 -0.62 0.00 0.00 57.03 55.84 1a6j h ASP 146 Cb 1.19 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.59 1a6j h ASP 146 CO 0.48 0.38 -0.67 -0.08 -3.12 0.00 0.00 179.24 176.23 1a6j h GLU 147 N 0.51 0.72 0.14 3.56 4.57 -1.94 -1.90 114.58 120.24 1a6j h GLU 147 Ca 0.13 -0.53 -0.01 0.00 -1.18 0.00 0.00 59.36 57.78 1a6j h GLU 147 Cb 0.05 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1a6j h GLU 147 CO -0.02 1.15 -0.07 1.49 -1.18 0.00 0.00 179.01 180.38 1a6j h GLU 148 N 0.52 -0.19 -0.03 1.92 4.81 -1.75 -0.06 114.58 119.80 1a6j h GLU 148 Ca -0.02 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1a6j h GLU 148 Cb 1.28 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.64 1a6j h GLU 148 CO 0.14 -0.02 -0.42 -0.07 -0.73 0.00 0.00 179.01 177.91 1a6j h LEU 149 N -0.32 -1.28 -0.60 1.64 3.38 -1.18 0.12 115.31 117.05 1a6j h LEU 149 Ca -0.02 0.16 0.12 0.00 0.09 0.00 0.00 57.88 58.23 1a6j h LEU 149 Cb 0.26 0.51 -0.09 0.00 0.09 0.00 0.00 40.66 41.42 1a6j h LEU 149 CO 0.03 -0.45 0.10 0.22 0.09 0.00 0.00 178.44 178.44 1a6j h TYR 150 N -0.56 0.15 0.09 1.13 3.20 -1.28 -0.37 116.97 119.33 1a6j h TYR 150 Ca 0.05 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.97 1a6j h TYR 150 Cb 0.65 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.90 1a6j h TYR 150 CO -0.44 -0.06 -0.44 0.37 -1.64 0.00 0.00 178.16 175.95 1a6j h GLN 151 N 0.23 -0.60 0.04 1.82 5.75 0.83 -1.91 115.11 121.26 1a6j h GLN 151 Ca 0.32 0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.89 1a6j h GLN 151 Cb 0.49 0.14 -0.04 0.00 1.07 0.00 0.00 27.48 29.13 1a6j h GLN 151 CO -0.43 -0.40 -0.28 0.82 -2.65 0.00 0.00 178.83 175.89 1a6j h ILE 152 N -0.63 0.37 -0.10 2.39 2.04 0.16 -1.76 117.51 119.99 1a6j h ILE 152 Ca -0.00 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.74 1a6j h ILE 152 Cb 0.63 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1a6j h ILE 152 CO -0.25 0.00 -0.45 -0.29 0.00 0.00 0.00 178.15 177.16 1a6j h ILE 153 N -0.45 1.33 0.00 -0.67 2.10 -1.04 -2.89 117.51 115.88 1a6j h ILE 153 Ca 0.05 -1.61 0.00 0.00 1.08 0.00 0.00 64.86 64.38 1a6j h ILE 153 Cb 0.52 1.75 0.00 0.00 -1.09 0.00 0.00 36.82 38.00 1a6j h ILE 153 CO -0.22 0.48 -0.16 0.71 -1.08 0.00 0.00 178.15 177.88 1a6j h THR 154 N 0.19 0.00 0.00 2.19 1.35 -1.26 -3.47 112.91 111.91 1a6j h THR 154 Ca 0.01 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 1a6j h THR 154 Cb 0.87 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 1a6j h THR 154 CO 0.07 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.67 1a6j n ASP 155 N -2.57 -2.91 -3.90 5.36 2.03 -0.67 -4.68 116.55 109.20 1a6j n ASP 155 Ca 0.04 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.93 1a6j n ASP 155 Cb 0.48 -0.82 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 1a6j n ASP 155 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1a6j n THR 156 N -2.74 4.43 0.00 5.18 -1.04 -1.19 -5.02 114.28 113.90 1a6j n THR 156 Ca 0.00 -4.54 0.00 0.00 -2.04 0.00 0.00 64.05 57.47 1a6j n THR 156 Cb 0.06 -2.34 0.00 0.00 -1.82 0.00 0.00 70.33 66.23 1a6j n THR 156 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81