#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j6p s TYR 4 N 0.00 0.08 0.41 3.10 -0.85 -1.26 -4.66 117.35 114.17 2j6p s TYR 4 Ca 0.00 -0.45 0.04 0.00 -0.52 0.00 0.00 57.07 56.13 2j6p s TYR 4 Cb 0.00 0.33 -0.03 0.00 0.38 0.00 0.00 41.96 42.64 2j6p s TYR 4 CO 0.00 -0.98 0.11 0.95 -1.52 0.00 0.00 175.55 174.12 2j6p s THR 5 N -3.94 0.70 0.08 -3.49 -4.23 -1.06 -4.98 115.64 98.73 2j6p s THR 5 Ca 0.15 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 2j6p s THR 5 Cb -0.01 -2.39 -0.04 0.00 1.34 0.00 0.00 72.50 71.40 2j6p s THR 5 CO 0.03 0.00 0.23 -0.31 -0.54 0.00 0.00 174.62 174.03 2j6p s TYR 6 N -3.20 3.51 -0.05 3.99 1.51 -1.26 -0.03 117.35 121.82 2j6p s TYR 6 Ca 0.24 0.23 0.03 0.00 -1.01 0.00 0.00 57.07 56.57 2j6p s TYR 6 Cb 0.03 -1.75 0.00 0.00 -0.11 0.00 0.00 41.96 40.13 2j6p s TYR 6 CO 0.14 0.57 -0.14 -1.50 -1.11 0.00 0.00 175.55 173.50 2j6p s ILE 7 N -1.57 1.24 0.66 2.71 2.07 -0.17 -4.85 121.20 121.28 2j6p s ILE 7 Ca 0.35 -0.59 -0.09 0.00 -1.41 0.00 0.00 60.65 58.91 2j6p s ILE 7 Cb -0.13 -1.09 0.01 0.00 0.13 0.00 0.00 42.46 41.39 2j6p s ILE 7 CO 0.28 0.37 1.02 -0.54 -1.91 0.00 0.00 174.94 174.16 2j6p s LYS 8 N 0.24 2.90 0.17 3.50 1.02 -1.26 -0.82 119.74 125.48 2j6p s LYS 8 Ca -0.07 0.30 -0.14 0.00 0.02 0.00 0.00 55.97 56.08 2j6p s LYS 8 Cb -0.12 -2.11 0.11 0.00 -0.52 0.00 0.00 37.83 35.19 2j6p s LYS 8 CO 0.02 -0.90 1.76 -1.35 -0.92 0.00 0.00 175.35 173.96 2j6p h PRO 9 N -0.47 0.33 -0.98 -1.68 0.11 -1.96 -1.11 132.00 126.24 2j6p h PRO 9 Ca -0.45 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 65.77 2j6p h PRO 9 Cb 1.25 -0.08 -0.09 0.00 0.11 0.00 0.00 31.00 32.20 2j6p h PRO 9 CO 0.63 0.22 0.60 0.93 -0.21 0.00 0.00 178.00 180.17 2j6p h GLU 10 N 0.34 0.90 -0.31 1.05 3.07 -1.99 -1.39 114.58 116.26 2j6p h GLU 10 Ca 0.20 -0.05 -0.17 0.00 -0.50 0.00 0.00 59.36 58.83 2j6p h GLU 10 Cb 0.18 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 27.88 2j6p h GLU 10 CO -0.19 0.60 -0.48 0.93 -1.40 0.00 0.00 179.01 178.46 2j6p h GLU 11 N 0.93 0.86 -0.66 2.33 5.08 -1.78 -2.71 114.58 118.63 2j6p h GLU 11 Ca 0.50 -0.50 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2j6p h GLU 11 Cb 0.54 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2j6p h GLU 11 CO -0.28 1.14 0.29 1.25 -1.00 0.00 0.00 179.01 180.41 2j6p h LEU 12 N 0.68 0.89 -1.13 1.33 5.85 -0.52 -2.66 115.31 119.75 2j6p h LEU 12 Ca 0.03 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 2j6p h LEU 12 Cb 1.08 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 2j6p h LEU 12 CO 0.11 0.80 0.21 0.58 -0.34 0.00 0.00 178.44 179.80 2j6p h VAL 13 N 0.93 1.21 -0.29 1.05 2.07 -1.24 0.62 116.25 120.60 2j6p h VAL 13 Ca 0.23 -0.67 0.04 0.00 0.82 0.00 0.00 66.70 67.12 2j6p h VAL 13 Cb 0.16 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 2j6p h VAL 13 CO -0.02 0.26 0.05 -0.08 0.02 0.00 0.00 177.57 177.80 2j6p h GLU 14 N 0.81 0.15 -0.01 1.57 4.81 -1.29 -1.02 114.58 119.61 2j6p h GLU 14 Ca 0.19 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2j6p h GLU 14 Cb 0.18 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 2j6p h GLU 14 CO -0.02 0.10 0.01 -0.07 -0.73 0.00 0.00 179.01 178.30 2j6p h LEU 15 N 0.15 0.01 -0.48 1.64 3.38 -1.20 -2.69 115.31 116.13 2j6p h LEU 15 Ca 0.14 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2j6p h LEU 15 Cb 0.15 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2j6p h LEU 15 CO -0.18 0.01 0.00 0.18 0.09 0.00 0.00 178.44 178.54 2j6p n LEU 16 N -5.08 0.37 0.01 1.67 4.77 0.19 -2.78 117.00 116.14 2j6p n LEU 16 Ca -0.07 0.61 0.10 0.00 -0.03 0.00 0.00 56.01 56.61 2j6p n LEU 16 Cb 0.03 -0.57 -0.14 0.00 -2.33 0.00 0.00 43.42 40.41 2j6p n LEU 16 CO 0.33 -0.50 -0.62 0.47 -1.33 0.00 0.00 177.39 175.74 2j6p n ASP 17 N -1.92 0.18 -4.56 -1.43 8.00 -0.43 -4.83 116.55 111.55 2j6p n ASP 17 Ca 0.02 0.07 -0.41 0.00 0.71 0.00 0.00 54.79 55.18 2j6p n ASP 17 Cb 0.16 1.60 -0.07 0.00 -0.02 0.00 0.00 41.12 42.79 2j6p n ASP 17 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2j6p s ASN 18 N -4.77 6.36 0.18 -2.24 3.84 -1.03 -4.93 114.94 112.36 2j6p s ASN 18 Ca -0.07 0.05 0.26 0.00 0.21 0.00 0.00 52.86 53.31 2j6p s ASN 18 Cb 0.13 -2.29 0.89 0.00 -0.55 0.00 0.00 41.25 39.43 2j6p s ASN 18 CO 0.88 -0.52 1.78 -2.65 -2.79 0.00 0.00 177.10 173.80 2j6p n PRO 19 N 5.85 0.21 0.08 0.43 -0.02 -1.26 -0.93 135.00 139.35 2j6p n PRO 19 Ca -0.03 0.22 -0.21 0.00 -2.02 0.00 0.00 63.50 61.45 2j6p n PRO 19 Cb 0.49 -1.76 -0.14 0.00 -0.02 0.00 0.00 33.50 32.06 2j6p n PRO 19 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2j6p h ASP 20 N 0.00 0.66 -0.88 2.55 3.32 -1.92 -3.19 116.42 116.96 2j6p h ASP 20 Ca 0.00 -0.89 0.08 0.00 0.02 0.00 0.00 57.03 56.24 2j6p h ASP 20 Cb 0.63 -0.21 -0.11 0.00 0.22 0.00 0.00 39.33 39.86 2j6p h ASP 20 CO 0.00 1.50 -0.54 0.28 -1.72 0.00 0.00 179.24 178.76 2j6p h SER 21 N -0.07 -1.98 -0.95 6.45 0.02 -1.75 -3.00 113.55 112.27 2j6p h SER 21 Ca -0.17 0.30 0.18 0.00 -0.84 0.00 0.00 61.79 61.26 2j6p h SER 21 Cb 1.79 0.87 -0.11 0.00 0.14 0.00 0.00 62.40 65.10 2j6p h SER 21 CO 0.20 -0.23 0.54 0.25 -1.14 0.00 0.00 176.83 176.45 2j6p h LEU 22 N -0.03 0.66 -0.11 5.07 6.46 -1.04 0.19 115.31 126.52 2j6p h LEU 22 Ca 0.14 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 58.00 2j6p h LEU 22 Cb 0.39 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.32 2j6p h LEU 22 CO -0.84 0.22 0.00 1.33 -0.62 0.00 0.00 178.44 178.53 2j6p n VAL 23 N -4.83 0.50 0.92 1.05 0.24 -1.14 -2.48 118.33 112.59 2j6p n VAL 23 Ca 0.22 -0.08 0.09 0.00 -2.04 0.00 0.00 64.34 62.53 2j6p n VAL 23 Cb 0.55 -0.69 0.28 0.00 -1.47 0.00 0.00 33.84 32.51 2j6p n VAL 23 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2j6p n LYS 24 N -1.98 1.90 -4.65 7.34 5.02 0.67 -4.70 118.16 121.76 2j6p n LYS 24 Ca 0.05 -1.38 -0.23 0.00 -2.02 0.00 0.00 58.31 54.74 2j6p n LYS 24 Cb 0.35 -1.38 -0.15 0.00 -0.02 0.00 0.00 35.03 33.84 2j6p n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2j6p s ALA 25 N -1.63 1.36 0.07 7.82 0.00 -1.03 0.12 121.76 128.47 2j6p s ALA 25 Ca 0.31 -0.78 0.08 0.00 0.00 0.00 0.00 51.96 51.57 2j6p s ALA 25 Cb 0.17 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 2j6p s ALA 25 CO 0.24 0.31 -0.21 0.00 0.00 0.00 0.00 175.76 176.11 2j6p s ALA 26 N -0.55 1.76 -0.21 0.00 0.00 -0.06 -4.95 121.76 117.75 2j6p s ALA 26 Ca 0.05 -1.14 -0.02 0.00 0.00 0.00 0.00 51.96 50.85 2j6p s ALA 26 Cb -0.07 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.77 2j6p s ALA 26 CO 0.00 0.37 -0.08 0.08 0.00 0.00 0.00 175.76 176.13 2j6p s VAL 27 N -0.98 2.98 -0.31 0.00 1.01 -1.26 -1.52 120.40 120.32 2j6p s VAL 27 Ca 0.07 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.28 2j6p s VAL 27 Cb -0.09 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.93 2j6p s VAL 27 CO 0.03 0.42 0.12 -0.63 0.00 0.00 0.00 175.10 175.03 2j6p s ILE 28 N 1.41 4.26 -0.38 2.22 -1.09 0.13 0.13 121.20 127.88 2j6p s ILE 28 Ca 0.05 -0.59 -0.18 0.00 -2.23 0.00 0.00 60.65 57.69 2j6p s ILE 28 Cb -0.14 -3.20 0.01 0.00 -1.58 0.00 0.00 42.46 37.55 2j6p s ILE 28 CO -0.06 0.05 0.51 -0.62 -1.23 0.00 0.00 174.94 173.59 2j6p s ASP 29 N 1.55 6.28 0.00 3.58 3.68 0.27 -1.31 116.67 130.72 2j6p s ASP 29 Ca 0.03 -0.26 0.21 0.00 2.13 0.00 0.00 52.55 54.66 2j6p s ASP 29 Cb -0.17 -2.26 0.56 0.00 -1.45 0.00 0.00 42.92 39.60 2j6p s ASP 29 CO 0.04 -0.55 1.48 0.00 0.13 0.00 0.00 175.17 176.27 2j6p s ARG 31 N -1.21 2.28 0.00 0.00 0.52 -1.26 -2.07 118.95 117.21 2j6p s ARG 31 Ca 0.43 1.10 0.00 0.00 -0.52 0.00 0.00 55.73 56.74 2j6p s ARG 31 Cb 0.23 -1.90 0.00 0.00 0.52 0.00 0.00 34.95 33.79 2j6p s ARG 31 CO 0.30 -1.60 0.00 -0.40 0.02 0.00 0.00 175.30 173.62 2j6p n ASP 32 N -3.49 0.00 0.18 0.23 5.75 -1.26 -4.29 116.55 113.68 2j6p n ASP 32 Ca 0.09 0.00 0.11 0.00 -0.01 0.00 0.00 54.79 54.97 2j6p n ASP 32 Cb 0.53 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.73 2j6p n ASP 32 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2j6p h SER 33 N 0.00 0.00 -0.02 -1.12 4.64 -2.04 -3.28 113.55 111.73 2j6p h SER 33 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2j6p h SER 33 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2j6p h SER 33 CO 0.00 0.06 0.00 -0.90 -0.87 0.00 0.00 176.83 175.12 2j6p n ASP 34 N -3.01 0.74 -0.03 4.97 5.75 -1.26 -3.82 116.55 119.90 2j6p n ASP 34 Ca 0.03 -1.30 0.13 0.00 -0.01 0.00 0.00 54.79 53.63 2j6p n ASP 34 Cb 0.56 -0.01 0.55 0.00 -1.03 0.00 0.00 41.12 41.19 2j6p n ASP 34 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 2j6p h ARG 35 N 1.13 0.28 0.00 0.11 1.12 -1.83 -2.12 114.38 113.07 2j6p h ARG 35 Ca 0.00 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.85 2j6p h ARG 35 Cb 0.24 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.14 2j6p h ARG 35 CO 0.00 0.19 0.00 -0.25 -3.11 0.00 0.00 179.97 176.80 2j6p n ASP 36 N -4.46 0.00 -0.40 -3.80 8.00 -1.25 -2.62 116.55 112.02 2j6p n ASP 36 Ca 0.08 0.31 0.35 0.00 0.71 0.00 0.00 54.79 56.24 2j6p n ASP 36 Cb 0.38 -0.42 0.68 0.00 -0.02 0.00 0.00 41.12 41.74 2j6p n ASP 36 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2j6p n GLY 38 N -1.66 4.19 3.68 0.00 0.00 -1.08 -4.99 105.19 105.33 2j6p n GLY 38 Ca 0.31 -1.21 -0.05 0.00 0.00 0.00 0.00 46.02 45.06 2j6p n GLY 38 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2j6p s PHE 39 N -2.00 -0.19 -0.00 1.61 -0.12 -0.87 -4.91 117.98 111.50 2j6p s PHE 39 Ca 0.00 -0.06 -0.19 0.00 -0.05 0.00 0.00 56.93 56.62 2j6p s PHE 39 Cb 0.00 0.61 -0.06 0.00 -0.63 0.00 0.00 43.02 42.94 2j6p s PHE 39 CO 0.00 -0.75 0.56 0.42 -0.05 0.00 0.00 175.22 175.40 2j6p s ILE 40 N -3.24 4.92 0.40 -4.49 -1.09 -1.26 -0.65 121.20 115.78 2j6p s ILE 40 Ca 0.10 1.16 -0.27 0.00 -2.23 0.00 0.00 60.65 59.42 2j6p s ILE 40 Cb -0.01 -3.89 -0.10 0.00 -1.58 0.00 0.00 42.46 36.88 2j6p s ILE 40 CO -0.01 0.45 1.40 0.54 -1.23 0.00 0.00 174.94 176.10 2j6p s VAL 41 N -0.38 2.27 -0.05 2.92 0.11 -1.26 -1.91 120.40 122.10 2j6p s VAL 41 Ca 0.29 0.26 0.00 0.00 -2.93 0.00 0.00 61.98 59.60 2j6p s VAL 41 Cb -0.18 -3.16 0.00 0.00 -1.53 0.00 0.00 36.38 31.51 2j6p s VAL 41 CO 0.16 0.05 0.00 0.59 -3.33 0.00 0.00 175.10 172.57 2j6p n ASN 42 N 0.23 -5.29 -4.70 3.54 3.02 -1.26 -5.00 115.26 105.80 2j6p n ASN 42 Ca 0.03 0.01 -0.34 0.00 -0.03 0.00 0.00 54.58 54.25 2j6p n ASN 42 Cb 0.41 -2.83 0.13 0.00 -0.61 0.00 0.00 39.78 36.88 2j6p n ASN 42 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2j6p n SER 43 N -0.76 1.10 -4.43 6.41 3.41 -0.80 -4.68 113.62 113.87 2j6p n SER 43 Ca -0.00 0.60 -0.33 0.00 -0.26 0.00 0.00 58.87 58.87 2j6p n SER 43 Cb 0.39 -1.51 -0.13 0.00 -0.26 0.00 0.00 64.21 62.69 2j6p n SER 43 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2j6p s ILE 44 N -2.10 3.31 -0.27 -1.33 1.01 0.12 -4.92 121.20 117.01 2j6p s ILE 44 Ca 0.74 -0.58 -0.18 0.00 0.00 0.00 0.00 60.65 60.63 2j6p s ILE 44 Cb -0.29 -2.39 -0.02 0.00 0.01 0.00 0.00 42.46 39.76 2j6p s ILE 44 CO 0.50 0.53 0.52 0.21 0.00 0.00 0.00 174.94 176.70 2j6p s ASN 45 N 0.17 6.42 -0.59 3.58 2.47 -1.26 -0.56 114.94 125.16 2j6p s ASN 45 Ca -0.06 0.46 0.04 0.00 0.42 0.00 0.00 52.86 53.72 2j6p s ASN 45 Cb -0.15 -2.28 0.15 0.00 -1.45 0.00 0.00 41.25 37.53 2j6p s ASN 45 CO 0.04 -0.32 0.38 -0.04 -3.72 0.00 0.00 177.10 173.44 2j6p s MET 46 N 2.33 2.04 0.07 0.43 -1.94 -0.10 -4.93 119.30 117.21 2j6p s MET 46 Ca 0.21 -2.86 -0.31 0.00 -1.71 0.00 0.00 55.69 51.03 2j6p s MET 46 Cb -0.16 -3.10 -0.09 0.00 2.01 0.00 0.00 34.83 33.50 2j6p s MET 46 CO 0.10 -1.22 1.80 -2.14 -0.01 0.00 0.00 175.02 173.54 2j6p s PRO 47 N -0.75 4.16 0.29 2.03 0.02 -1.26 -4.24 135.00 135.24 2j6p s PRO 47 Ca 0.22 2.49 -0.01 0.00 0.02 0.00 0.00 61.00 63.72 2j6p s PRO 47 Cb -0.13 -3.78 0.46 0.00 0.02 0.00 0.00 34.50 31.07 2j6p s PRO 47 CO -0.10 -0.84 1.91 1.15 -0.33 0.00 0.00 177.00 178.79 2j6p h THR 48 N 5.05 1.10 -0.29 0.99 2.02 -1.68 0.55 112.91 120.67 2j6p h THR 48 Ca -0.45 -0.38 0.04 0.00 0.77 0.00 0.00 66.41 66.39 2j6p h THR 48 Cb 1.21 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 2j6p h THR 48 CO 0.94 0.20 0.20 -0.29 0.37 0.00 0.00 175.52 176.94 2j6p h ILE 49 N 1.12 0.96 0.00 3.11 2.10 -1.89 -3.32 117.51 119.59 2j6p h ILE 49 Ca 0.39 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 66.26 2j6p h ILE 49 Cb 0.13 0.74 0.00 0.00 -1.09 0.00 0.00 36.82 36.60 2j6p h ILE 49 CO -0.14 0.04 -0.21 -1.54 -1.08 0.00 0.00 178.15 175.22 2j6p n SER 50 N -4.49 1.03 -4.72 2.19 3.41 -0.63 -5.06 113.62 105.36 2j6p n SER 50 Ca 0.03 -0.23 -0.42 0.00 -0.26 0.00 0.00 58.87 57.98 2j6p n SER 50 Cb 0.22 0.67 -0.01 0.00 -0.26 0.00 0.00 64.21 64.83 2j6p n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2j6p s THR 52 N -0.77 4.59 0.27 0.00 -4.23 -1.26 -4.99 115.64 109.26 2j6p s THR 52 Ca 0.58 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 2j6p s THR 52 Cb -0.55 -3.62 0.26 0.00 1.34 0.00 0.00 72.50 69.93 2j6p s THR 52 CO 0.58 -0.26 1.79 -0.08 -0.54 0.00 0.00 174.62 176.11 2j6p h GLU 53 N 0.95 0.73 -0.24 3.99 4.81 -2.00 -0.70 114.58 122.13 2j6p h GLU 53 Ca -0.48 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.66 2j6p h GLU 53 Cb 1.24 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 2j6p h GLU 53 CO 0.57 0.49 -0.04 0.93 -0.73 0.00 0.00 179.01 180.23 2j6p h GLU 54 N 0.76 0.37 -0.43 1.92 5.08 -1.99 -1.65 114.58 118.62 2j6p h GLU 54 Ca 0.49 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.63 2j6p h GLU 54 Cb 0.63 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2j6p h GLU 54 CO -0.33 0.43 -0.30 0.52 -1.00 0.00 0.00 179.01 178.32 2j6p h MET 55 N 0.35 0.97 -0.49 2.33 2.86 -1.54 -0.31 114.93 119.11 2j6p h MET 55 Ca 0.08 -0.46 -0.09 0.00 -2.06 0.00 0.00 59.70 57.17 2j6p h MET 55 Cb 0.30 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 2j6p h MET 55 CO 0.01 1.13 -0.05 1.88 1.06 0.00 0.00 176.91 180.94 2j6p h TYR 56 N 0.81 0.92 -0.57 -0.22 -1.99 -0.92 -1.93 116.97 113.06 2j6p h TYR 56 Ca 0.09 -0.15 -0.00 0.00 2.00 0.00 0.00 58.73 60.66 2j6p h TYR 56 Cb 0.89 -0.24 -0.03 0.00 2.00 0.00 0.00 36.73 39.35 2j6p h TYR 56 CO 0.06 0.87 0.35 0.93 -0.00 0.00 0.00 178.16 180.36 2j6p h GLU 57 N 0.78 0.78 -0.57 4.88 5.08 -1.12 -0.65 114.58 123.77 2j6p h GLU 57 Ca 0.14 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2j6p h GLU 57 Cb 0.53 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2j6p h GLU 57 CO 0.03 0.56 0.24 -0.22 -1.00 0.00 0.00 179.01 178.62 2j6p h LYS 58 N 0.78 0.84 -0.47 2.33 3.64 -1.01 -1.30 116.57 121.38 2j6p h LYS 58 Ca 0.21 -0.14 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 2j6p h LYS 58 Cb -0.02 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 2j6p h LYS 58 CO -0.04 0.71 -0.07 1.25 -2.27 0.00 0.00 179.45 179.03 2j6p h LEU 59 N 0.77 0.87 -0.36 5.20 6.46 -1.09 0.77 115.31 127.94 2j6p h LEU 59 Ca 0.19 -0.34 0.08 0.00 -0.12 0.00 0.00 57.88 57.69 2j6p h LEU 59 Cb 0.17 -0.24 -0.09 0.00 -0.73 0.00 0.00 40.66 39.78 2j6p h LEU 59 CO -0.02 1.01 -0.26 0.00 -0.62 0.00 0.00 178.44 178.55 2j6p h ALA 60 N 0.89 -0.07 -0.04 1.25 0.00 -0.95 0.11 119.26 120.45 2j6p h ALA 60 Ca 0.12 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2j6p h ALA 60 Cb 0.60 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2j6p h ALA 60 CO 0.04 -0.65 0.03 -0.22 0.00 0.00 0.00 179.25 178.44 2j6p h LYS 61 N -0.21 0.06 -0.96 0.00 3.64 -0.99 -1.71 116.57 116.40 2j6p h LYS 61 Ca 0.17 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.56 2j6p h LYS 61 Cb 0.49 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.25 2j6p h LYS 61 CO -0.48 0.05 0.63 1.15 -2.27 0.00 0.00 179.45 178.53 2j6p h THR 62 N 0.05 1.24 -0.01 1.00 2.02 -0.65 0.12 112.91 116.69 2j6p h THR 62 Ca 0.02 -0.44 -0.18 0.00 0.77 0.00 0.00 66.41 66.57 2j6p h THR 62 Cb 0.00 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.23 2j6p h THR 62 CO -0.00 0.24 -0.81 -0.07 0.37 0.00 0.00 175.52 175.24 2j6p h LEU 63 N 1.29 0.19 0.37 2.58 3.38 -0.95 -0.19 115.31 121.97 2j6p h LEU 63 Ca 0.35 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2j6p h LEU 63 Cb -0.14 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 2j6p h LEU 63 CO -0.08 0.92 -0.21 0.15 0.09 0.00 0.00 178.44 179.31 2j6p h PHE 64 N 0.09 -0.54 -0.12 1.13 3.57 -0.49 0.09 116.94 120.67 2j6p h PHE 64 Ca -0.03 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 2j6p h PHE 64 Cb 1.41 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 40.33 2j6p h PHE 64 CO 0.02 -0.33 -0.03 0.93 -2.23 0.00 0.00 178.31 176.68 2j6p h GLU 65 N -0.54 0.17 0.00 1.11 5.08 -0.93 0.42 114.58 119.89 2j6p h GLU 65 Ca -0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2j6p h GLU 65 Cb 0.44 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2j6p h GLU 65 CO 0.05 0.22 0.00 0.39 -1.00 0.00 0.00 179.01 178.67 2j6p n GLU 66 N -4.40 0.79 -3.68 2.33 1.02 -0.09 -4.90 120.64 111.70 2j6p n GLU 66 Ca -0.01 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.85 2j6p n GLU 66 Cb 0.17 -1.33 0.03 0.00 -0.02 0.00 0.00 31.44 30.29 2j6p n GLU 66 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2j6p n LYS 67 N -0.83 -5.32 -1.85 3.49 4.01 0.15 -4.96 118.16 112.85 2j6p n LYS 67 Ca 0.12 0.64 -0.40 0.00 -0.51 0.00 0.00 58.31 58.16 2j6p n LYS 67 Cb 0.06 -5.51 0.01 0.00 -0.51 0.00 0.00 35.03 29.07 2j6p n LYS 67 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2j6p s LYS 68 N -6.38 3.88 -0.01 1.97 -0.14 -0.01 -4.79 119.74 114.26 2j6p s LYS 68 Ca 0.57 2.42 0.13 0.00 -1.36 0.00 0.00 55.97 57.74 2j6p s LYS 68 Cb -0.28 -2.78 -0.19 0.00 -1.68 0.00 0.00 37.83 32.89 2j6p s LYS 68 CO 0.71 -0.67 0.35 0.39 -0.76 0.00 0.00 175.35 175.37 2j6p n GLU 69 N 0.08 0.87 -4.10 1.68 1.02 0.33 -3.48 120.64 117.06 2j6p n GLU 69 Ca 0.03 -0.10 -0.17 0.00 -0.02 0.00 0.00 57.16 56.91 2j6p n GLU 69 Cb 0.41 -1.28 -0.15 0.00 -0.02 0.00 0.00 31.44 30.40 2j6p n GLU 69 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2j6p s LEU 70 N -3.66 1.71 -0.14 -4.62 1.02 -0.24 -1.57 118.68 111.18 2j6p s LEU 70 Ca -0.03 -0.08 -0.00 0.00 0.02 0.00 0.00 54.13 54.04 2j6p s LEU 70 Cb 0.09 -0.27 0.03 0.00 0.02 0.00 0.00 46.19 46.05 2j6p s LEU 70 CO 0.55 0.01 -0.10 0.00 0.02 0.00 0.00 176.35 176.83 2j6p s ALA 71 N 0.30 1.58 -0.28 4.21 0.00 0.37 -0.88 121.76 127.06 2j6p s ALA 71 Ca -0.03 -0.77 -0.07 0.00 0.00 0.00 0.00 51.96 51.09 2j6p s ALA 71 Cb -0.07 -1.02 -0.00 0.00 0.00 0.00 0.00 23.12 22.03 2j6p s ALA 71 CO -0.00 -0.50 0.08 0.08 0.00 0.00 0.00 175.76 175.41 2j6p s VAL 72 N 1.60 4.04 -0.05 0.00 1.01 -0.58 -1.06 120.40 125.37 2j6p s VAL 72 Ca 0.04 -0.56 -0.14 0.00 0.00 0.00 0.00 61.98 61.32 2j6p s VAL 72 Cb -0.13 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 2j6p s VAL 72 CO -0.09 0.15 0.36 -0.36 0.00 0.00 0.00 175.10 175.16 2j6p s PHE 73 N 1.53 3.66 0.06 5.22 0.40 0.10 0.23 117.98 129.18 2j6p s PHE 73 Ca 0.04 0.87 -0.04 0.00 -0.60 0.00 0.00 56.93 57.20 2j6p s PHE 73 Cb -0.17 -2.27 -0.03 0.00 0.51 0.00 0.00 43.02 41.07 2j6p s PHE 73 CO 0.03 0.56 0.04 -3.38 0.70 0.00 0.00 175.22 173.17 2j6p s HIS 74 N -0.72 0.39 0.00 0.36 -3.43 -0.42 0.31 115.29 111.78 2j6p s HIS 74 Ca 0.22 -0.89 0.00 0.00 -0.80 0.00 0.00 55.06 53.58 2j6p s HIS 74 Cb -0.15 -0.28 0.00 0.00 -1.43 0.00 0.00 32.58 30.72 2j6p s HIS 74 CO 0.10 -0.43 0.00 0.00 -2.00 0.00 0.00 174.74 172.42 2j6p h ALA 76 N 1.00 0.00 -0.00 0.00 0.00 -1.94 -0.09 119.26 118.23 2j6p h ALA 76 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2j6p h ALA 76 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2j6p h ALA 76 CO 0.00 0.01 -0.12 1.04 0.00 0.00 0.00 179.25 180.18 2j6p n GLN 77 N -4.60 3.53 -3.11 0.00 6.02 -1.26 -1.27 117.38 116.68 2j6p n GLN 77 Ca -0.10 -0.27 -0.23 0.00 -0.01 0.00 0.00 57.00 56.39 2j6p n GLN 77 Cb 0.49 -0.83 0.03 0.00 1.02 0.00 0.00 30.24 30.94 2j6p n GLN 77 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2j6p n SER 78 N -0.62 -5.65 -0.10 1.08 7.64 -1.26 -3.52 113.62 111.19 2j6p n SER 78 Ca 0.01 -0.32 -0.12 0.00 1.01 0.00 0.00 58.87 59.45 2j6p n SER 78 Cb 0.08 -4.58 -0.11 0.00 -1.01 0.00 0.00 64.21 58.59 2j6p n SER 78 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2j6p n LEU 79 N -4.01 1.82 0.07 -3.43 4.77 -1.26 -4.62 117.00 110.35 2j6p n LEU 79 Ca -0.09 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 2j6p n LEU 79 Cb 0.60 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2j6p n LEU 79 CO 0.49 0.69 0.00 0.52 -1.33 0.00 0.00 177.39 177.76 2j6p n VAL 80 N -2.93 0.48 0.03 4.08 0.31 -1.26 -4.76 118.33 114.27 2j6p n VAL 80 Ca -0.34 0.16 -0.19 0.00 -0.01 0.00 0.00 64.34 63.96 2j6p n VAL 80 Cb 0.96 -0.92 -0.09 0.00 -0.91 0.00 0.00 33.84 32.88 2j6p n VAL 80 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2j6p h ARG 81 N 0.00 0.69 0.14 5.55 3.08 -1.93 -1.74 114.38 120.18 2j6p h ARG 81 Ca 0.00 -0.71 -0.01 0.00 0.07 0.00 0.00 59.98 59.33 2j6p h ARG 81 Cb 0.00 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2j6p h ARG 81 CO 0.00 1.30 -0.07 0.00 -1.07 0.00 0.00 179.97 180.13 2j6p h ALA 82 N 0.46 -0.19 -0.08 0.04 0.00 -1.88 0.10 119.26 117.71 2j6p h ALA 82 Ca -0.11 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 2j6p h ALA 82 Cb 1.64 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 2j6p h ALA 82 CO 0.19 -0.35 -0.15 -1.00 0.00 0.00 0.00 179.25 177.95 2j6p h PRO 83 N -0.72 0.12 -0.59 0.00 0.13 -1.81 0.25 132.00 129.39 2j6p h PRO 83 Ca -0.02 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2j6p h PRO 83 Cb 0.52 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.60 2j6p h PRO 83 CO 0.03 0.28 0.39 0.87 -0.23 0.00 0.00 178.00 179.34 2j6p h LYS 84 N 0.12 0.78 -0.79 0.86 1.57 -1.28 0.62 116.57 118.45 2j6p h LYS 84 Ca 0.02 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2j6p h LYS 84 Cb 0.34 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 2j6p h LYS 84 CO 0.02 0.52 0.39 0.78 -0.57 0.00 0.00 179.45 180.60 2j6p h GLY 85 N 0.80 1.21 1.28 3.86 0.00 0.44 -0.71 103.07 109.95 2j6p h GLY 85 Ca 0.22 -0.59 -0.16 0.00 0.00 0.00 0.00 47.33 46.80 2j6p h GLY 85 CO -0.05 0.56 -0.45 0.00 0.00 0.00 0.00 176.54 176.61 2j6p h ALA 86 N 1.21 0.64 -0.19 3.60 0.00 -0.20 -0.09 119.26 124.22 2j6p h ALA 86 Ca 0.27 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2j6p h ALA 86 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2j6p h ALA 86 CO -0.04 0.67 0.10 -0.91 0.00 0.00 0.00 179.25 179.08 2j6p h ASN 87 N 0.62 0.24 -0.62 0.00 2.35 -0.63 -0.09 115.58 117.45 2j6p h ASN 87 Ca 0.04 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 2j6p h ASN 87 Cb 1.02 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 39.29 2j6p h ASN 87 CO 0.10 0.26 0.32 0.03 -1.65 0.00 0.00 177.43 176.48 2j6p h ARG 88 N 0.20 0.91 -0.16 0.81 3.08 -0.86 -1.46 114.38 116.89 2j6p h ARG 88 Ca 0.07 -0.11 -0.14 0.00 0.07 0.00 0.00 59.98 59.86 2j6p h ARG 88 Cb 0.07 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.95 2j6p h ARG 88 CO -0.01 0.69 -0.46 0.35 -1.07 0.00 0.00 179.97 179.47 2j6p h PHE 89 N 0.91 0.77 -0.55 3.04 3.57 -0.58 -1.28 116.94 122.82 2j6p h PHE 89 Ca 0.23 -0.31 -0.06 0.00 3.53 0.00 0.00 57.97 61.36 2j6p h PHE 89 Cb 0.08 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 2j6p h PHE 89 CO 0.01 1.08 0.09 0.00 -2.23 0.00 0.00 178.31 177.26 2j6p h ALA 90 N 0.55 1.14 -0.35 2.41 0.00 -0.65 0.25 119.26 122.59 2j6p h ALA 90 Ca -0.01 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 2j6p h ALA 90 Cb 1.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2j6p h ALA 90 CO 0.10 0.57 -0.34 -0.07 0.00 0.00 0.00 179.25 179.52 2j6p h LEU 91 N 0.83 0.91 -0.26 0.00 4.07 -1.21 -0.58 115.31 119.06 2j6p h LEU 91 Ca 0.17 -0.46 0.01 0.00 0.08 0.00 0.00 57.88 57.68 2j6p h LEU 91 Cb 0.36 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.83 2j6p h LEU 91 CO 0.01 1.18 0.16 0.00 -1.08 0.00 0.00 178.44 178.71 2j6p h ALA 92 N 0.75 0.32 -0.52 1.53 0.00 -0.50 -1.51 119.26 119.35 2j6p h ALA 92 Ca 0.06 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2j6p h ALA 92 Cb 0.92 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2j6p h ALA 92 CO 0.08 -0.22 0.32 1.96 0.00 0.00 0.00 179.25 181.39 2j6p h GLN 93 N 0.33 0.63 -0.35 0.00 4.20 -0.84 -1.51 115.11 117.57 2j6p h GLN 93 Ca 0.10 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 2j6p h GLN 93 Cb -0.02 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 2j6p h GLN 93 CO -0.04 0.41 0.09 -0.22 -0.67 0.00 0.00 178.83 178.41 2j6p h LYS 94 N 0.65 0.56 -0.60 1.46 3.64 -1.05 0.28 116.57 121.50 2j6p h LYS 94 Ca 0.20 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2j6p h LYS 94 Cb -0.02 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 2j6p h LYS 94 CO -0.07 0.60 0.39 -0.22 -2.27 0.00 0.00 179.45 177.88 2j6p h LYS 95 N 0.41 0.79 0.00 1.90 3.64 -0.98 -2.36 116.57 119.97 2j6p h LYS 95 Ca 0.11 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2j6p h LYS 95 Cb 0.29 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2j6p h LYS 95 CO 0.00 0.53 -0.53 -0.07 -2.27 0.00 0.00 179.45 177.11 2j6p h LEU 96 N 0.81 0.00 0.00 5.20 3.38 -0.82 -3.48 115.31 120.41 2j6p h LEU 96 Ca 0.22 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2j6p h LEU 96 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2j6p h LEU 96 CO -0.05 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.17 2j6p n GLY 97 N 1.31 1.39 3.70 0.83 0.00 0.58 -5.08 105.19 107.92 2j6p n GLY 97 Ca 0.03 -0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 2j6p n GLY 97 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2j6p s TYR 98 N -2.00 2.94 0.00 1.61 4.12 0.66 -5.00 117.35 119.68 2j6p s TYR 98 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.07 57.00 2j6p s TYR 98 Cb 0.00 -1.43 0.00 0.00 -1.52 0.00 0.00 41.96 39.01 2j6p s TYR 98 CO 0.00 0.52 0.07 1.55 0.02 0.00 0.00 175.55 177.71 2j6p n VAL 99 N -0.12 0.00 -4.62 0.71 3.14 -1.26 -3.86 118.33 112.33 2j6p n VAL 99 Ca -0.09 -0.07 -0.27 0.00 -2.96 0.00 0.00 64.34 60.95 2j6p n VAL 99 Cb 0.55 1.85 -0.14 0.00 -1.06 0.00 0.00 33.84 35.04 2j6p n VAL 99 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2j6p s LEU 100 N -0.00 2.21 0.62 6.55 2.01 -1.26 -3.82 118.68 124.99 2j6p s LEU 100 Ca 0.00 -0.60 -0.17 0.00 0.01 0.00 0.00 54.13 53.37 2j6p s LEU 100 Cb 0.00 -1.07 -0.02 0.00 0.01 0.00 0.00 46.19 45.11 2j6p s LEU 100 CO 0.00 0.17 1.16 -2.16 1.01 0.00 0.00 176.35 176.53 2j6p s PRO 101 N -1.43 2.88 0.70 1.29 0.04 -1.23 -4.47 135.00 132.77 2j6p s PRO 101 Ca 0.09 1.63 -0.14 0.00 0.04 0.00 0.00 61.00 62.62 2j6p s PRO 101 Cb -0.09 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.53 2j6p s PRO 101 CO 0.03 -1.23 1.12 0.00 0.04 0.00 0.00 177.00 176.95 2j6p s ALA 102 N -1.93 2.36 -0.10 8.56 0.00 -0.61 -4.78 121.76 125.26 2j6p s ALA 102 Ca 0.73 0.53 0.03 0.00 0.00 0.00 0.00 51.96 53.24 2j6p s ALA 102 Cb -0.25 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 2j6p s ALA 102 CO 0.36 -1.48 -0.19 0.08 0.00 0.00 0.00 175.76 174.52 2j6p s VAL 103 N -2.41 2.52 0.07 0.00 1.01 -1.26 -0.48 120.40 119.85 2j6p s VAL 103 Ca 0.67 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.83 2j6p s VAL 103 Cb -0.21 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 2j6p s VAL 103 CO 0.45 0.55 -0.13 -0.31 0.00 0.00 0.00 175.10 175.66 2j6p s TYR 104 N 0.21 1.14 -0.15 5.22 2.02 -0.22 -2.57 117.35 123.01 2j6p s TYR 104 Ca -0.12 -0.50 -0.02 0.00 -0.37 0.00 0.00 57.07 56.07 2j6p s TYR 104 Cb -0.16 -0.64 -0.02 0.00 -0.40 0.00 0.00 41.96 40.74 2j6p s TYR 104 CO 0.06 0.04 -0.09 0.08 -1.57 0.00 0.00 175.55 174.07 2j6p s VAL 105 N -1.49 3.37 -0.41 0.71 1.01 0.96 0.01 120.40 124.55 2j6p s VAL 105 Ca -0.01 -0.54 -0.28 0.00 0.00 0.00 0.00 61.98 61.14 2j6p s VAL 105 Cb -0.09 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 2j6p s VAL 105 CO 0.02 0.50 1.65 -0.22 0.00 0.00 0.00 175.10 177.05 2j6p s LEU 106 N 0.48 3.49 0.02 3.92 2.96 0.15 -1.00 118.68 128.70 2j6p s LEU 106 Ca -0.07 0.93 -0.35 0.00 -0.22 0.00 0.00 54.13 54.43 2j6p s LEU 106 Cb -0.15 -3.35 -0.13 0.00 0.50 0.00 0.00 46.19 43.05 2j6p s LEU 106 CO 0.04 -1.71 1.68 -1.14 -1.32 0.00 0.00 176.35 173.90 2j6p n ARG 107 N 8.44 1.97 -0.16 1.98 3.00 -0.00 -1.48 116.66 130.41 2j6p n ARG 107 Ca 0.20 0.72 0.00 0.00 -0.00 0.00 0.00 57.85 58.76 2j6p n ARG 107 Cb 0.48 -2.50 0.00 0.00 0.00 0.00 0.00 32.46 30.44 2j6p n ARG 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2j6p n GLY 108 N 3.77 1.78 7.00 5.14 0.00 -1.23 -4.60 105.19 117.05 2j6p n GLY 108 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2j6p n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j6p n GLY 109 N -2.00 -0.84 0.31 -0.02 0.00 -0.55 -1.82 105.19 100.27 2j6p n GLY 109 Ca 0.00 -1.09 0.04 0.00 0.00 0.00 0.00 46.02 44.97 2j6p n GLY 109 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2j6p h TRP 110 N 0.00 0.87 -0.28 1.61 2.91 -0.70 -1.55 115.95 118.81 2j6p h TRP 110 Ca 0.00 0.03 0.03 0.00 1.13 0.00 0.00 58.89 60.08 2j6p h TRP 110 Cb 0.00 -0.26 -0.03 0.00 -0.51 0.00 0.00 29.16 28.36 2j6p h TRP 110 CO 0.00 0.33 0.08 0.93 -1.03 0.00 0.00 178.44 178.75 2j6p h GLU 111 N 0.78 0.19 -0.32 2.65 5.08 -1.30 0.32 114.58 121.99 2j6p h GLU 111 Ca 0.42 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.63 2j6p h GLU 111 Cb 0.43 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2j6p h GLU 111 CO -0.27 0.13 -0.38 0.00 -1.00 0.00 0.00 179.01 177.49 2j6p h ALA 112 N 1.19 0.74 0.18 3.43 0.00 -1.11 -1.38 119.26 122.31 2j6p h ALA 112 Ca 0.13 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2j6p h ALA 112 Cb 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2j6p h ALA 112 CO -0.14 0.66 -0.09 0.35 0.00 0.00 0.00 179.25 180.03 2j6p h PHE 113 N 0.61 -0.23 -0.77 0.00 3.57 -0.77 -1.48 116.94 117.87 2j6p h PHE 113 Ca 0.05 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 2j6p h PHE 113 Cb 0.92 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.70 2j6p h PHE 113 CO 0.05 -0.06 0.41 -0.92 -2.23 0.00 0.00 178.31 175.55 2j6p h TYR 114 N -0.34 1.05 -0.96 0.41 3.20 -0.42 -1.36 116.97 118.56 2j6p h TYR 114 Ca -0.02 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.88 2j6p h TYR 114 Cb 0.26 -0.34 -0.06 0.00 1.54 0.00 0.00 36.73 38.13 2j6p h TYR 114 CO -0.04 0.74 0.62 1.25 -1.64 0.00 0.00 178.16 179.09 2j6p h HIS 115 N 1.08 1.15 0.04 -3.82 2.76 -0.93 0.66 115.15 116.08 2j6p h HIS 115 Ca 0.27 0.03 -0.28 0.00 -2.20 0.00 0.00 60.37 58.19 2j6p h HIS 115 Cb 0.05 -0.38 -0.03 0.00 1.55 0.00 0.00 27.41 28.59 2j6p h HIS 115 CO 0.01 0.61 -1.48 1.98 -1.30 0.00 0.00 177.93 177.75 2j6p h MET 116 N 1.15 0.08 0.00 5.26 1.85 -0.95 -3.40 114.93 118.92 2j6p h MET 116 Ca 0.41 -0.14 0.00 0.00 -0.61 0.00 0.00 59.70 59.36 2j6p h MET 116 Cb 0.13 0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.21 2j6p h MET 116 CO -0.16 0.84 0.00 0.66 -0.40 0.00 0.00 176.91 177.85 2j6p n TYR 117 N -3.26 0.00 0.21 1.39 4.02 -0.54 -4.72 117.16 114.27 2j6p n TYR 117 Ca -0.13 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.82 2j6p n TYR 117 Cb 1.02 0.00 0.48 0.00 -0.02 0.00 0.00 39.34 40.82 2j6p n TYR 117 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2j6p h GLY 118 N 0.00 0.00 0.49 2.72 0.00 0.15 0.77 103.07 107.19 2j6p h GLY 118 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 2j6p h GLY 118 CO 0.00 0.00 -1.99 2.09 0.00 0.00 0.00 176.54 176.64 2j6p n ASP 119 N -3.96 0.43 0.06 0.19 5.68 -1.26 -4.27 116.55 113.42 2j6p n ASP 119 Ca -0.02 0.20 0.11 0.00 -0.50 0.00 0.00 54.79 54.58 2j6p n ASP 119 Cb 0.34 0.56 -0.07 0.00 -1.14 0.00 0.00 41.12 40.81 2j6p n ASP 119 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 2j6p n VAL 120 N -2.85 0.42 -2.95 2.12 0.24 -1.16 -4.60 118.33 109.55 2j6p n VAL 120 Ca -0.22 -0.54 -0.16 0.00 -2.04 0.00 0.00 64.34 61.38 2j6p n VAL 120 Cb 1.04 -0.23 -0.01 0.00 -1.47 0.00 0.00 33.84 33.18 2j6p n VAL 120 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2j6p n ARG 121 N -2.53 1.33 0.01 7.34 5.12 0.25 -4.91 116.66 123.28 2j6p n ARG 121 Ca -0.02 -3.51 0.04 0.00 -1.93 0.00 0.00 57.85 52.43 2j6p n ARG 121 Cb 0.57 -1.62 0.20 0.00 -1.16 0.00 0.00 32.46 30.45 2j6p n ARG 121 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2j6p n PRO 122 N 0.08 0.01 0.26 5.56 -0.04 -1.26 -1.11 135.00 138.51 2j6p n PRO 122 Ca 0.21 0.38 0.13 0.00 -0.04 0.00 0.00 63.50 64.18 2j6p n PRO 122 Cb 0.69 -1.53 0.68 0.00 -0.04 0.00 0.00 33.50 33.30 2j6p n PRO 122 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2j6p h ASP 123 N 0.00 0.00 0.56 3.54 2.03 -1.93 -2.54 116.42 118.09 2j6p h ASP 123 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2j6p h ASP 123 Cb 0.14 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.64 2j6p h ASP 123 CO 0.00 0.13 -0.34 0.18 -1.03 0.00 0.00 179.24 178.18 2j6p n LEU 124 N -3.48 0.45 -4.68 0.15 4.77 -0.27 -4.88 117.00 109.06 2j6p n LEU 124 Ca -0.01 0.08 -0.35 0.00 -0.03 0.00 0.00 56.01 55.70 2j6p n LEU 124 Cb 0.28 -0.28 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 2j6p n LEU 124 CO 0.30 0.10 -0.26 -0.04 -1.33 0.00 0.00 177.39 176.16 2j6p s MET 125 N -2.91 3.61 0.10 3.23 -1.94 -1.16 -4.29 119.30 115.95 2j6p s MET 125 Ca 0.14 -0.33 0.08 0.00 -1.71 0.00 0.00 55.69 53.87 2j6p s MET 125 Cb 0.18 -3.08 -0.04 0.00 2.01 0.00 0.00 34.83 33.91 2j6p s MET 125 CO 0.63 0.47 -0.21 0.71 -0.01 0.00 0.00 175.02 176.61 2j6p s TYR 126 N -0.20 1.82 0.28 -0.03 1.51 0.18 -1.60 117.35 119.31 2j6p s TYR 126 Ca 0.07 -0.42 0.02 0.00 -1.01 0.00 0.00 57.07 55.74 2j6p s TYR 126 Cb -0.12 -1.00 -0.04 0.00 -0.11 0.00 0.00 41.96 40.69 2j6p s TYR 126 CO 0.01 0.22 0.13 0.14 -1.11 0.00 0.00 175.55 174.94 2j6p s VAL 127 N -1.17 0.41 -0.13 0.71 -7.23 -0.77 -2.05 120.40 110.17 2j6p s VAL 127 Ca 0.07 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.26 2j6p s VAL 127 Cb -0.10 -2.56 0.01 0.00 0.56 0.00 0.00 36.38 34.29 2j6p s VAL 127 CO 0.04 0.00 -0.21 -0.54 -0.31 0.00 0.00 175.10 174.08 2j6p s LYS 128 N -3.93 2.90 -0.10 4.82 1.02 -1.25 -1.06 119.74 122.13 2j6p s LYS 128 Ca 0.37 -0.81 -0.00 0.00 0.02 0.00 0.00 55.97 55.55 2j6p s LYS 128 Cb 0.06 -2.35 0.02 0.00 -0.52 0.00 0.00 37.83 35.05 2j6p s LYS 128 CO 0.15 -0.02 -0.07 -1.17 -0.92 0.00 0.00 175.35 173.32 2j6p s LEU 129 N 0.84 1.19 0.00 3.17 0.20 -0.28 -4.86 118.68 118.94 2j6p s LEU 129 Ca -0.07 -0.28 0.00 0.00 0.69 0.00 0.00 54.13 54.47 2j6p s LEU 129 Cb -0.15 -0.79 0.00 0.00 -0.43 0.00 0.00 46.19 44.81 2j6p s LEU 129 CO -0.02 -0.11 0.00 0.61 -0.29 0.00 0.00 176.35 176.55 2j6p n GLY 130 N 4.80 1.12 0.01 7.98 0.00 -1.26 -2.88 105.19 114.96 2j6p n GLY 130 Ca -0.14 -0.96 -0.00 0.00 0.00 0.00 0.00 46.02 44.92 2j6p n GLY 130 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2j6p h PRO 131 N 0.00 -0.03 0.00 1.61 0.13 -1.98 -3.42 132.00 128.32 2j6p h PRO 131 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2j6p h PRO 131 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2j6p h PRO 131 CO 0.00 -0.02 -0.10 0.39 -0.23 0.00 0.00 178.00 178.04 2j6p n GLU 132 N -2.26 3.88 -0.52 0.86 4.71 -1.26 -5.10 120.64 120.95 2j6p n GLU 132 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2j6p n GLU 132 Cb 0.01 -0.38 0.00 0.00 -1.01 0.00 0.00 31.44 30.06 2j6p n GLU 132 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 2j6p n GLN 133 N -0.65 0.00 -2.81 3.49 6.02 -1.26 -5.03 117.38 117.14 2j6p n GLN 133 Ca 0.00 0.21 -0.40 0.00 -0.01 0.00 0.00 57.00 56.80 2j6p n GLN 133 Cb 0.00 -0.31 -0.05 0.00 1.02 0.00 0.00 30.24 30.90 2j6p n GLN 133 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2j6p s LYS 134 N -0.98 4.73 -0.05 -1.09 2.20 -1.14 -4.66 119.74 118.74 2j6p s LYS 134 Ca 0.00 1.38 -0.29 0.00 -0.36 0.00 0.00 55.97 56.69 2j6p s LYS 134 Cb 0.00 -3.31 -0.02 0.00 -1.51 0.00 0.00 37.83 32.99 2j6p s LYS 134 CO 0.00 0.43 0.97 -1.17 -0.36 0.00 0.00 175.35 175.22 2j6p s LEU 135 N -0.75 4.31 -0.13 5.43 2.96 -1.26 -1.13 118.68 128.11 2j6p s LEU 135 Ca 0.41 1.57 -0.07 0.00 -0.22 0.00 0.00 54.13 55.83 2j6p s LEU 135 Cb -0.24 -3.53 0.05 0.00 0.50 0.00 0.00 46.19 42.97 2j6p s LEU 135 CO 0.29 -0.34 0.30 -0.51 -1.32 0.00 0.00 176.35 174.78 2j6p s ILE 136 N 1.45 -0.07 0.87 6.68 1.10 -0.22 -5.01 121.20 126.01 2j6p s ILE 136 Ca 0.49 0.14 -0.10 0.00 -0.51 0.00 0.00 60.65 60.67 2j6p s ILE 136 Cb -0.20 -0.46 0.12 0.00 0.15 0.00 0.00 42.46 42.07 2j6p s ILE 136 CO 0.23 0.06 1.12 -0.94 -2.11 0.00 0.00 174.94 173.29 2j6p s SER 137 N 1.39 3.44 0.44 4.50 1.04 -1.26 -1.84 113.70 121.40 2j6p s SER 137 Ca -0.09 2.00 0.23 0.00 0.48 0.00 0.00 55.95 58.57 2j6p s SER 137 Cb -0.10 -2.52 0.43 0.00 0.10 0.00 0.00 66.02 63.93 2j6p s SER 137 CO -0.10 -2.74 1.64 -0.33 0.98 0.00 0.00 173.24 172.68 2j6p h GLU 138 N -1.62 0.00 0.04 4.02 5.08 -1.25 -0.64 114.58 120.20 2j6p h GLU 138 Ca -0.44 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2j6p h GLU 138 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2j6p h GLU 138 CO 0.46 0.05 -0.02 1.49 -1.00 0.00 0.00 179.01 180.00 2j6p h GLU 139 N 0.00 -0.05 -0.64 2.33 4.81 -1.72 -0.41 114.58 118.89 2j6p h GLU 139 Ca -0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2j6p h GLU 139 Cb 0.98 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 2j6p h GLU 139 CO 0.01 0.17 0.26 -0.44 -0.73 0.00 0.00 179.01 178.29 2j6p h ASP 140 N -0.27 0.86 -0.35 1.04 3.32 -1.86 -1.18 116.42 117.98 2j6p h ASP 140 Ca -0.01 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 2j6p h ASP 140 Cb 0.25 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2j6p h ASP 140 CO 0.01 0.76 0.15 0.25 -1.72 0.00 0.00 179.24 178.69 2j6p h LEU 141 N 0.93 0.52 -0.02 1.55 5.85 -1.10 -0.94 115.31 122.09 2j6p h LEU 141 Ca 0.22 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 2j6p h LEU 141 Cb 0.17 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2j6p h LEU 141 CO -0.02 0.48 -0.07 0.78 -0.34 0.00 0.00 178.44 179.27 2j6p h ASN 142 N 0.57 0.09 -0.25 1.25 2.35 -0.05 -1.77 115.58 117.76 2j6p h ASN 142 Ca 0.14 -0.64 0.04 0.00 -0.55 0.00 0.00 56.30 55.28 2j6p h ASN 142 Cb 0.13 -0.03 -0.07 0.00 0.05 0.00 0.00 38.32 38.41 2j6p h ASN 142 CO -0.01 0.72 -0.50 0.28 -1.65 0.00 0.00 177.43 176.26 2j6p h SER 143 N -0.53 -1.65 -0.64 5.81 0.02 -1.31 -1.27 113.55 113.99 2j6p h SER 143 Ca -0.00 0.21 0.15 0.00 -0.84 0.00 0.00 61.79 61.30 2j6p h SER 143 Cb 0.71 0.66 -0.03 0.00 0.14 0.00 0.00 62.40 63.88 2j6p h SER 143 CO 0.01 -0.40 0.44 0.00 -1.14 0.00 0.00 176.83 175.74 2j6p h ALA 144 N -0.28 2.33 0.06 3.77 0.00 -1.15 -1.52 119.26 122.47 2j6p h ALA 144 Ca 0.05 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.73 2j6p h ALA 144 Cb 0.58 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.39 2j6p h ALA 144 CO -0.47 -0.50 -0.90 0.28 0.00 0.00 0.00 179.25 177.65 2j6p h VAL 145 N 0.19 1.37 -0.38 0.00 2.07 -1.17 -3.22 116.25 115.11 2j6p h VAL 145 Ca 0.31 -2.29 0.05 0.00 0.82 0.00 0.00 66.70 65.59 2j6p h VAL 145 Cb 0.94 2.69 -0.05 0.00 -1.52 0.00 0.00 31.29 33.35 2j6p h VAL 145 CO -0.05 0.68 0.10 0.44 0.02 0.00 0.00 177.57 178.75 2j6p h ASP 146 N 0.05 0.06 0.00 0.57 3.32 -0.24 -3.51 116.42 116.66 2j6p h ASP 146 Ca -0.13 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2j6p h ASP 146 Cb 1.61 0.07 0.00 0.00 0.22 0.00 0.00 39.33 41.23 2j6p h ASP 146 CO 0.17 0.07 0.00 1.41 -1.72 0.00 0.00 179.24 179.17