#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 0.17 0.43 1.20 -0.85 -1.26 -4.71 117.35 112.33 2j6p s TYR 4 Ca 0.00 -0.53 0.05 0.00 -0.52 0.00 0.00 57.07 56.07 2j6p s TYR 4 Cb 0.00 0.18 -0.06 0.00 0.38 0.00 0.00 41.96 42.47 2j6p s TYR 4 CO 0.00 -0.86 0.02 0.95 -1.52 0.00 0.00 175.55 174.14 2j6p s THR 5 N -3.94 1.61 0.17 -3.49 -4.23 -1.00 -4.96 115.64 99.79 2j6p s THR 5 Ca 0.15 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.56 2j6p s THR 5 Cb 0.01 -2.71 -0.07 0.00 1.34 0.00 0.00 72.50 71.08 2j6p s THR 5 CO 0.01 0.00 0.49 -0.31 -0.54 0.00 0.00 174.62 174.26 2j6p s TYR 6 N -2.84 3.49 0.05 3.99 1.51 -1.26 -1.42 117.35 120.87 2j6p s TYR 6 Ca 0.26 0.83 0.08 0.00 -1.01 0.00 0.00 57.07 57.23 2j6p s TYR 6 Cb 0.07 -2.21 -0.03 0.00 -0.11 0.00 0.00 41.96 39.68 2j6p s TYR 6 CO 0.13 0.37 -0.23 -1.50 -1.11 0.00 0.00 175.55 173.22 2j6p s ILE 7 N -1.65 1.83 0.50 2.71 2.07 0.28 -4.88 121.20 122.06 2j6p s ILE 7 Ca 0.42 -1.30 -0.04 0.00 -1.41 0.00 0.00 60.65 58.31 2j6p s ILE 7 Cb -0.13 -1.59 -0.02 0.00 0.13 0.00 0.00 42.46 40.86 2j6p s ILE 7 CO 0.21 0.23 0.79 -0.54 -1.91 0.00 0.00 174.94 173.71 2j6p s LYS 8 N -1.29 3.28 0.32 3.50 1.02 -1.26 -0.58 119.74 124.74 2j6p s LYS 8 Ca 0.09 -0.00 0.01 0.00 0.02 0.00 0.00 55.97 56.09 2j6p s LYS 8 Cb -0.09 -2.39 0.57 0.00 -0.52 0.00 0.00 37.83 35.39 2j6p s LYS 8 CO 0.02 -0.34 1.95 -1.35 -0.92 0.00 0.00 175.35 174.72 2j6p h PRO 9 N 0.17 0.94 -0.66 -1.68 0.11 -1.96 -1.57 132.00 127.36 2j6p h PRO 9 Ca -0.47 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 2j6p h PRO 9 Cb 1.23 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 2j6p h PRO 9 CO 0.61 0.62 0.26 0.93 -0.21 0.00 0.00 178.00 180.21 2j6p h GLU 10 N 0.97 0.99 -0.63 1.05 3.07 -1.99 -1.26 114.58 116.77 2j6p h GLU 10 Ca 0.32 -0.18 -0.05 0.00 -0.50 0.00 0.00 59.36 58.95 2j6p h GLU 10 Cb 0.07 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 27.80 2j6p h GLU 10 CO -0.10 0.83 0.18 0.93 -1.40 0.00 0.00 179.01 179.45 2j6p h GLU 11 N 0.93 0.96 -0.51 2.33 5.08 -1.75 -2.33 114.58 119.29 2j6p h GLU 11 Ca 0.22 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 2j6p h GLU 11 Cb 0.21 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2j6p h GLU 11 CO -0.02 0.84 -0.05 1.25 -1.00 0.00 0.00 179.01 180.03 2j6p h LEU 12 N 0.93 0.93 -0.72 1.33 5.85 -0.85 -3.06 115.31 119.71 2j6p h LEU 12 Ca 0.21 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.60 2j6p h LEU 12 Cb 0.28 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 2j6p h LEU 12 CO -0.01 1.04 0.47 0.58 -0.34 0.00 0.00 178.44 180.18 2j6p h VAL 13 N 0.80 1.19 -0.94 1.05 2.07 -1.01 -1.63 116.25 117.78 2j6p h VAL 13 Ca 0.14 -0.36 0.19 0.00 0.82 0.00 0.00 66.70 67.50 2j6p h VAL 13 Cb 0.59 0.13 -0.11 0.00 -1.52 0.00 0.00 31.29 30.38 2j6p h VAL 13 CO 0.04 0.19 0.52 -0.33 0.02 0.00 0.00 177.57 178.00 2j6p h GLU 14 N 0.98 0.60 -0.10 1.57 5.08 -1.39 -0.77 114.58 120.55 2j6p h GLU 14 Ca 0.26 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.40 2j6p h GLU 14 Cb -0.10 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.01 2j6p h GLU 14 CO -0.06 0.40 -0.72 -0.07 -1.00 0.00 0.00 179.01 177.56 2j6p h LEU 15 N 0.62 0.58 -0.87 1.33 3.38 -1.25 -2.95 115.31 116.15 2j6p h LEU 15 Ca 0.56 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 2j6p h LEU 15 Cb 0.93 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2j6p h LEU 15 CO -0.42 1.12 -0.26 -0.07 0.09 0.00 0.00 178.44 178.89 2j6p h LEU 16 N 0.34 0.00 0.00 1.67 3.38 -0.49 -2.99 115.31 117.22 2j6p h LEU 16 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2j6p h LEU 16 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2j6p h LEU 16 CO 0.13 0.26 -0.87 0.47 0.09 0.00 0.00 178.44 178.52 2j6p n ASP 17 N -3.35 0.70 -4.40 -0.43 8.00 -0.38 -4.69 116.55 111.99 2j6p n ASP 17 Ca 0.01 -0.49 -0.38 0.00 0.71 0.00 0.00 54.79 54.63 2j6p n ASP 17 Cb 0.49 0.72 -0.12 0.00 -0.02 0.00 0.00 41.12 42.19 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 -3.32 5.34 0.25 -2.24 3.84 -1.17 -4.98 114.94 112.65 2j6p s ASN 18 Ca 0.07 -0.55 -0.03 0.00 0.21 0.00 0.00 52.86 52.56 2j6p s ASN 18 Cb 0.16 -1.95 0.50 0.00 -0.55 0.00 0.00 41.25 39.41 2j6p s ASN 18 CO 0.80 -0.17 1.70 1.55 -2.79 0.00 0.00 177.10 178.19 2j6p h PRO 19 N 8.29 0.34 0.05 0.43 0.13 -1.85 0.48 132.00 139.87 2j6p h PRO 19 Ca -0.33 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2j6p h PRO 19 Cb 1.14 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2j6p h PRO 19 CO 0.61 0.23 -0.02 0.22 -0.23 0.00 0.00 178.00 178.80 2j6p h ASP 20 N 0.35 -0.05 0.16 1.44 -0.00 -1.94 -2.46 116.42 113.92 2j6p h ASP 20 Ca 0.44 -0.17 -0.03 0.00 -0.00 0.00 0.00 57.03 57.27 2j6p h ASP 20 Cb 0.73 0.01 -0.00 0.00 -0.00 0.00 0.00 39.33 40.07 2j6p h ASP 20 CO -0.47 0.14 -0.12 0.28 -0.00 0.00 0.00 179.24 179.06 2j6p h SER 21 N -0.24 0.00 0.35 2.28 0.02 -1.51 -2.94 113.55 111.52 2j6p h SER 21 Ca -0.01 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2j6p h SER 21 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2j6p h SER 21 CO 0.01 0.12 -0.17 0.25 -1.14 0.00 0.00 176.83 175.90 2j6p h LEU 22 N 0.00 -0.40 -2.49 5.07 5.85 -0.71 -2.07 115.31 120.56 2j6p h LEU 22 Ca -0.00 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.56 2j6p h LEU 22 Cb 0.24 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2j6p h LEU 22 CO 0.02 -0.01 0.02 1.62 -0.34 0.00 0.00 178.44 179.74 2j6p h VAL 23 N -0.86 0.00 -0.01 1.05 3.04 -1.27 -1.24 116.25 116.96 2j6p h VAL 23 Ca -0.05 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 2j6p h VAL 23 Cb 0.53 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 2j6p h VAL 23 CO 0.08 0.00 -0.14 0.29 -1.01 0.00 0.00 177.57 176.79 2j6p n LYS 24 N -2.83 1.24 -4.96 4.17 5.02 -0.98 -4.73 118.16 115.09 2j6p n LYS 24 Ca -0.02 -0.74 -0.32 0.00 -2.02 0.00 0.00 58.31 55.20 2j6p n LYS 24 Cb 0.07 -1.48 -0.14 0.00 -0.02 0.00 0.00 35.03 33.46 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 -2.27 2.58 0.08 7.82 0.00 -0.47 0.13 121.76 129.63 2j6p s ALA 25 Ca 0.30 -1.00 0.08 0.00 0.00 0.00 0.00 51.96 51.34 2j6p s ALA 25 Cb 0.20 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 2j6p s ALA 25 CO 0.43 0.55 -0.20 0.00 0.00 0.00 0.00 175.76 176.53 2j6p s ALA 26 N -0.69 1.76 -0.22 0.00 0.00 0.11 -4.94 121.76 117.78 2j6p s ALA 26 Ca 0.11 -1.15 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 2j6p s ALA 26 Cb -0.11 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.76 2j6p s ALA 26 CO 0.00 0.37 -0.11 0.08 0.00 0.00 0.00 175.76 176.10 2j6p s VAL 27 N -1.01 2.61 -0.38 0.00 1.01 -1.26 -0.40 120.40 120.96 2j6p s VAL 27 Ca 0.07 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 2j6p s VAL 27 Cb -0.09 -2.25 0.04 0.00 0.00 0.00 0.00 36.38 34.08 2j6p s VAL 27 CO 0.03 0.33 0.21 -0.63 0.00 0.00 0.00 175.10 175.04 2j6p s ILE 28 N 1.32 4.40 -0.25 2.22 -1.09 0.17 -0.63 121.20 127.35 2j6p s ILE 28 Ca 0.02 -1.01 -0.19 0.00 -2.23 0.00 0.00 60.65 57.24 2j6p s ILE 28 Cb -0.15 -3.51 -0.03 0.00 -1.58 0.00 0.00 42.46 37.19 2j6p s ILE 28 CO -0.07 -0.29 0.56 -0.62 -1.23 0.00 0.00 174.94 173.29 2j6p s ASP 29 N 1.65 6.51 -0.08 3.58 -1.08 0.54 -0.96 116.67 126.83 2j6p s ASP 29 Ca 0.02 0.62 0.18 0.00 -0.52 0.00 0.00 52.55 52.84 2j6p s ASP 29 Cb -0.20 -2.30 0.63 0.00 -1.46 0.00 0.00 42.92 39.59 2j6p s ASP 29 CO 0.05 -0.30 1.54 0.00 0.52 0.00 0.00 175.17 176.99 2j6p s ARG 31 N -1.68 1.44 0.00 0.00 0.52 -1.26 -2.00 118.95 115.97 2j6p s ARG 31 Ca 0.46 0.73 0.00 0.00 -0.52 0.00 0.00 55.73 56.40 2j6p s ARG 31 Cb 0.29 -1.84 0.00 0.00 0.52 0.00 0.00 34.95 33.92 2j6p s ARG 31 CO 0.23 -2.09 0.00 -0.40 0.02 0.00 0.00 175.30 173.06 2j6p n ASP 32 N -3.77 0.00 -0.17 0.23 5.75 -1.26 -4.23 116.55 113.10 2j6p n ASP 32 Ca 0.07 0.00 0.13 0.00 -0.01 0.00 0.00 54.79 54.98 2j6p n ASP 32 Cb 0.56 0.00 0.39 0.00 -1.03 0.00 0.00 41.12 41.04 2j6p n ASP 32 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2j6p n SER 33 N -0.12 0.82 -1.15 -1.12 3.41 -1.26 -3.41 113.62 110.80 2j6p n SER 33 Ca 0.00 -0.69 0.09 0.00 -0.26 0.00 0.00 58.87 58.01 2j6p n SER 33 Cb 0.00 0.12 0.27 0.00 -0.26 0.00 0.00 64.21 64.34 2j6p n SER 33 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2j6p n ASP 34 N -0.88 3.82 -0.26 4.04 5.75 -1.26 -4.60 116.55 123.17 2j6p n ASP 34 Ca 0.11 -2.18 0.02 0.00 -0.01 0.00 0.00 54.79 52.73 2j6p n ASP 34 Cb 0.34 -0.43 0.24 0.00 -1.03 0.00 0.00 41.12 40.23 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 3.33 1.01 -0.07 0.11 1.12 -1.85 -2.67 114.38 115.37 2j6p h ARG 35 Ca 0.00 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 58.81 2j6p h ARG 35 Cb 1.05 -0.23 0.00 0.00 -0.01 0.00 0.00 29.97 30.78 2j6p h ARG 35 CO 0.07 0.67 0.00 -0.25 -3.11 0.00 0.00 179.97 177.35 2j6p n ASP 36 N -4.44 0.53 -0.33 -3.80 8.00 -1.26 -3.20 116.55 112.05 2j6p n ASP 36 Ca 0.10 -1.63 0.18 0.00 0.71 0.00 0.00 54.79 54.16 2j6p n ASP 36 Cb 0.10 -0.04 0.39 0.00 -0.02 0.00 0.00 41.12 41.54 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 -1.32 3.10 3.62 0.00 0.00 -1.19 -4.97 105.19 104.43 2j6p n GLY 38 Ca 0.27 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 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 0.09 0.07 1.61 -0.12 -0.61 -4.98 117.98 112.03 2j6p s PHE 39 Ca 0.00 -0.46 -0.22 0.00 -0.05 0.00 0.00 56.93 56.20 2j6p s PHE 39 Cb 0.00 0.36 -0.06 0.00 -0.63 0.00 0.00 43.02 42.69 2j6p s PHE 39 CO 0.00 -1.01 0.66 0.42 -0.05 0.00 0.00 175.22 175.24 2j6p s ILE 40 N -3.95 4.70 0.50 -4.49 1.09 -1.26 -1.02 121.20 116.76 2j6p s ILE 40 Ca 0.15 1.41 -0.22 0.00 -1.10 0.00 0.00 60.65 60.90 2j6p s ILE 40 Cb -0.02 -4.00 -0.06 0.00 -1.06 0.00 0.00 42.46 37.32 2j6p s ILE 40 CO 0.04 0.48 1.18 0.54 -0.10 0.00 0.00 174.94 177.08 2j6p s VAL 41 N -0.68 3.00 -1.10 2.92 0.11 -1.26 -1.01 120.40 122.38 2j6p s VAL 41 Ca 0.33 0.70 0.00 0.00 -2.93 0.00 0.00 61.98 60.08 2j6p s VAL 41 Cb -0.20 -3.33 0.00 0.00 -1.53 0.00 0.00 36.38 31.32 2j6p s VAL 41 CO 0.21 -0.05 0.00 0.59 -3.33 0.00 0.00 175.10 172.51 2j6p n ASN 42 N -0.84 -5.58 -4.75 3.54 3.02 -1.26 -4.96 115.26 104.42 2j6p n ASN 42 Ca 0.09 0.26 -0.38 0.00 -0.03 0.00 0.00 54.58 54.52 2j6p n ASN 42 Cb 0.49 -4.08 0.03 0.00 -0.61 0.00 0.00 39.78 35.60 2j6p n ASN 42 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2j6p s SER 43 N -2.34 5.48 -0.22 6.41 1.04 -0.18 -4.68 113.70 119.21 2j6p s SER 43 Ca 0.00 2.68 -0.17 0.00 0.48 0.00 0.00 55.95 58.94 2j6p s SER 43 Cb 0.00 -2.63 -0.03 0.00 0.10 0.00 0.00 66.02 63.46 2j6p s SER 43 CO 0.00 -1.42 0.46 -0.63 0.98 0.00 0.00 173.24 172.63 2j6p s ILE 44 N -1.35 5.14 -0.28 -1.02 1.01 0.20 -4.90 121.20 120.00 2j6p s ILE 44 Ca 0.69 0.81 -0.23 0.00 0.00 0.00 0.00 60.65 61.92 2j6p s ILE 44 Cb -0.38 -3.78 -0.00 0.00 0.01 0.00 0.00 42.46 38.30 2j6p s ILE 44 CO 0.46 0.18 0.77 0.21 0.00 0.00 0.00 174.94 176.55 2j6p s ASN 45 N 1.28 6.69 -0.42 3.58 2.47 -1.26 -0.34 114.94 126.93 2j6p s ASN 45 Ca 0.21 0.77 0.02 0.00 0.42 0.00 0.00 52.86 54.27 2j6p s ASN 45 Cb -0.15 -2.40 0.13 0.00 -1.45 0.00 0.00 41.25 37.38 2j6p s ASN 45 CO 0.09 -0.54 0.22 -0.04 -3.72 0.00 0.00 177.10 173.11 2j6p s MET 46 N 2.83 1.20 -0.08 0.43 -1.94 0.46 -4.93 119.30 117.26 2j6p s MET 46 Ca 0.32 -1.88 -0.30 0.00 -1.71 0.00 0.00 55.69 52.12 2j6p s MET 46 Cb -0.15 -2.27 -0.04 0.00 2.01 0.00 0.00 34.83 34.38 2j6p s MET 46 CO 0.10 -1.14 1.53 -1.25 -0.01 0.00 0.00 175.02 174.25 2j6p s PRO 47 N 0.52 4.20 0.37 2.03 0.04 -1.26 -4.21 135.00 136.70 2j6p s PRO 47 Ca 0.17 2.03 0.11 0.00 0.04 0.00 0.00 61.00 63.35 2j6p s PRO 47 Cb -0.24 -3.90 0.89 0.00 0.04 0.00 0.00 34.50 31.29 2j6p s PRO 47 CO -0.02 -0.79 1.86 1.15 0.04 0.00 0.00 177.00 179.24 2j6p h THR 48 N 5.52 0.78 0.00 1.26 2.02 -1.66 -0.84 112.91 119.99 2j6p h THR 48 Ca -0.36 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 2j6p h THR 48 Cb 1.16 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2j6p h THR 48 CO 0.96 0.11 -0.10 -0.29 0.37 0.00 0.00 175.52 176.57 2j6p h ILE 49 N 0.61 0.92 0.00 3.11 2.10 -1.88 -3.32 117.51 119.04 2j6p h ILE 49 Ca 0.46 -0.37 0.00 0.00 1.08 0.00 0.00 64.86 66.03 2j6p h ILE 49 Cb 0.85 1.21 0.00 0.00 -1.09 0.00 0.00 36.82 37.79 2j6p h ILE 49 CO -0.21 0.10 0.00 -1.54 -1.08 0.00 0.00 178.15 175.42 2j6p n SER 50 N -4.19 0.12 -4.77 2.19 3.41 -0.92 -5.07 113.62 104.40 2j6p n SER 50 Ca -0.03 -0.44 -0.39 0.00 -0.26 0.00 0.00 58.87 57.76 2j6p n SER 50 Cb 0.18 0.38 -0.01 0.00 -0.26 0.00 0.00 64.21 64.51 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 -1.36 2.34 0.17 0.00 -4.23 -1.26 -5.00 115.64 106.30 2j6p s THR 52 Ca 0.59 -1.70 -0.15 0.00 -1.18 0.00 0.00 61.69 59.25 2j6p s THR 52 Cb -0.34 -2.99 0.06 0.00 1.34 0.00 0.00 72.50 70.57 2j6p s THR 52 CO 0.43 -0.01 1.74 -0.08 -0.54 0.00 0.00 174.62 176.16 2j6p h GLU 53 N 1.44 0.25 0.00 3.99 4.81 -1.99 -1.16 114.58 121.91 2j6p h GLU 53 Ca -0.43 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.78 2j6p h GLU 53 Cb 1.25 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 2j6p h GLU 53 CO 0.70 0.17 -0.04 1.49 -0.73 0.00 0.00 179.01 180.60 2j6p h GLU 54 N 0.26 0.00 -0.39 1.92 4.81 -1.99 -2.12 114.58 117.07 2j6p h GLU 54 Ca 0.20 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.31 2j6p h GLU 54 Cb 0.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2j6p h GLU 54 CO -0.24 0.04 -0.22 0.52 -0.73 0.00 0.00 179.01 178.38 2j6p h MET 55 N 0.00 0.83 -0.15 1.92 2.86 -1.61 0.78 114.93 119.56 2j6p h MET 55 Ca -0.00 -0.38 -0.10 0.00 -2.06 0.00 0.00 59.70 57.16 2j6p h MET 55 Cb 0.08 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2j6p h MET 55 CO 0.00 1.01 -0.35 1.88 1.06 0.00 0.00 176.91 180.52 2j6p h TYR 56 N 0.64 0.36 -0.51 -0.22 -1.99 -1.33 -0.93 116.97 112.99 2j6p h TYR 56 Ca 0.08 -0.09 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 2j6p h TYR 56 Cb 0.78 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 39.40 2j6p h TYR 56 CO 0.06 0.63 0.22 0.93 -0.00 0.00 0.00 178.16 180.00 2j6p h GLU 57 N 0.27 0.76 -0.04 4.88 5.08 -1.10 -0.58 114.58 123.85 2j6p h GLU 57 Ca 0.03 -0.13 -0.19 0.00 -1.00 0.00 0.00 59.36 58.07 2j6p h GLU 57 Cb 0.75 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2j6p h GLU 57 CO 0.06 0.66 -0.79 0.87 -1.00 0.00 0.00 179.01 178.81 2j6p h LYS 58 N 0.69 0.30 -0.60 2.33 1.57 -0.75 -0.59 116.57 119.51 2j6p h LYS 58 Ca 0.17 -0.27 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 2j6p h LYS 58 Cb 0.17 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 2j6p h LYS 58 CO -0.02 0.94 0.13 1.25 -0.57 0.00 0.00 179.45 181.19 2j6p h LEU 59 N 0.19 0.92 -0.29 2.94 5.85 -0.85 -0.74 115.31 123.33 2j6p h LEU 59 Ca -0.04 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.48 2j6p h LEU 59 Cb 1.38 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 2j6p h LEU 59 CO 0.13 0.92 0.07 0.00 -0.34 0.00 0.00 178.44 179.22 2j6p h ALA 60 N 1.03 0.31 -0.56 1.25 0.00 -0.57 0.21 119.26 120.92 2j6p h ALA 60 Ca 0.19 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 2j6p h ALA 60 Cb 0.37 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2j6p h ALA 60 CO 0.00 -0.34 0.03 -0.22 0.00 0.00 0.00 179.25 178.73 2j6p h LYS 61 N 0.19 0.97 -0.46 0.00 3.64 -0.97 -1.48 116.57 118.47 2j6p h LYS 61 Ca 0.13 -0.30 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 2j6p h LYS 61 Cb 0.12 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2j6p h LYS 61 CO -0.16 0.96 0.22 1.15 -2.27 0.00 0.00 179.45 179.35 2j6p h THR 62 N 0.86 1.18 -0.39 1.00 2.02 -0.66 0.19 112.91 117.12 2j6p h THR 62 Ca 0.16 -0.52 -0.14 0.00 0.77 0.00 0.00 66.41 66.68 2j6p h THR 62 Cb 0.50 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2j6p h THR 62 CO 0.02 0.20 -0.31 -0.07 0.37 0.00 0.00 175.52 175.73 2j6p h LEU 63 N 0.59 0.90 -0.32 2.58 3.38 -0.51 0.22 115.31 122.15 2j6p h LEU 63 Ca 0.16 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.79 2j6p h LEU 63 Cb 0.12 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2j6p h LEU 63 CO -0.02 1.13 0.09 0.15 0.09 0.00 0.00 178.44 179.88 2j6p h PHE 64 N 0.72 0.16 0.00 1.13 3.57 -0.92 -1.13 116.94 120.46 2j6p h PHE 64 Ca 0.08 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.50 2j6p h PHE 64 Cb 0.87 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 2j6p h PHE 64 CO 0.05 0.06 -0.45 0.93 -2.23 0.00 0.00 178.31 176.67 2j6p h GLU 65 N 0.22 0.00 0.00 1.11 5.08 -0.67 -0.12 114.58 120.19 2j6p h GLU 65 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2j6p h GLU 65 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2j6p h GLU 65 CO -0.17 0.45 0.00 0.39 -1.00 0.00 0.00 179.01 178.69 2j6p n GLU 66 N -4.00 0.88 -1.61 2.33 1.02 0.04 -4.89 120.64 114.41 2j6p n GLU 66 Ca -0.02 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.01 2j6p n GLU 66 Cb 0.47 -1.31 -0.04 0.00 -0.02 0.00 0.00 31.44 30.55 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 -0.81 -0.85 -2.16 3.49 4.76 -0.06 -4.98 118.16 117.56 2j6p n LYS 67 Ca 0.13 0.80 -0.38 0.00 -2.87 0.00 0.00 58.31 55.99 2j6p n LYS 67 Cb 0.06 -4.84 -0.00 0.00 -1.84 0.00 0.00 35.03 28.41 2j6p n LYS 67 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2j6p s LYS 68 N -3.48 3.73 -0.01 1.97 -0.14 -0.46 -4.79 119.74 116.56 2j6p s LYS 68 Ca 0.00 1.90 0.07 0.00 -1.36 0.00 0.00 55.97 56.58 2j6p s LYS 68 Cb 0.00 -2.47 -0.09 0.00 -1.68 0.00 0.00 37.83 33.59 2j6p s LYS 68 CO 0.00 -0.61 0.20 0.39 -0.76 0.00 0.00 175.35 174.57 2j6p n GLU 69 N -0.41 1.91 -4.31 1.68 1.02 0.34 -3.32 120.64 117.55 2j6p n GLU 69 Ca 0.07 -0.04 -0.18 0.00 -0.02 0.00 0.00 57.16 56.99 2j6p n GLU 69 Cb 0.47 -1.03 -0.15 0.00 -0.02 0.00 0.00 31.44 30.71 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 -3.04 1.94 -0.14 -4.62 1.02 -0.48 -0.80 118.68 112.55 2j6p s LEU 70 Ca -0.01 -0.15 0.00 0.00 0.02 0.00 0.00 54.13 54.00 2j6p s LEU 70 Cb 0.05 -0.43 0.02 0.00 0.02 0.00 0.00 46.19 45.85 2j6p s LEU 70 CO 0.28 0.08 -0.13 0.00 0.02 0.00 0.00 176.35 176.60 2j6p s ALA 71 N -0.06 1.77 -0.32 4.21 0.00 0.26 -0.71 121.76 126.92 2j6p s ALA 71 Ca 0.01 -0.85 -0.06 0.00 0.00 0.00 0.00 51.96 51.07 2j6p s ALA 71 Cb -0.05 -1.03 0.03 0.00 0.00 0.00 0.00 23.12 22.08 2j6p s ALA 71 CO -0.00 -0.38 0.08 0.08 0.00 0.00 0.00 175.76 175.54 2j6p s VAL 72 N 1.50 3.66 -0.02 0.00 1.01 0.46 -0.62 120.40 126.40 2j6p s VAL 72 Ca 0.05 -1.06 -0.19 0.00 0.00 0.00 0.00 61.98 60.77 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 -0.10 -0.09 0.56 -0.36 0.00 0.00 0.00 175.10 175.10 2j6p s PHE 73 N 1.40 3.66 0.08 5.22 0.40 0.77 0.44 117.98 129.96 2j6p s PHE 73 Ca -0.01 1.13 -0.01 0.00 -0.60 0.00 0.00 56.93 57.44 2j6p s PHE 73 Cb -0.19 -2.56 -0.04 0.00 0.51 0.00 0.00 43.02 40.74 2j6p s PHE 73 CO 0.02 0.36 0.01 -3.38 0.70 0.00 0.00 175.22 172.93 2j6p s HIS 74 N -0.18 0.65 0.00 0.36 -3.43 -0.13 -0.81 115.29 111.75 2j6p s HIS 74 Ca 0.29 -1.12 0.00 0.00 -0.80 0.00 0.00 55.06 53.43 2j6p s HIS 74 Cb -0.18 -0.42 0.00 0.00 -1.43 0.00 0.00 32.58 30.56 2j6p s HIS 74 CO 0.16 -0.44 0.00 0.00 -2.00 0.00 0.00 174.74 172.45 2j6p h ALA 76 N 1.00 0.11 -0.00 0.00 0.00 -1.93 0.01 119.26 118.44 2j6p h ALA 76 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.11 2j6p h ALA 76 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2j6p h ALA 76 CO 0.00 0.30 -0.31 1.04 0.00 0.00 0.00 179.25 180.28 2j6p n GLN 77 N -4.52 3.93 -2.86 0.00 6.02 -1.26 -1.65 117.38 117.04 2j6p n GLN 77 Ca -0.19 -0.13 -0.22 0.00 -0.01 0.00 0.00 57.00 56.45 2j6p n GLN 77 Cb 0.57 -0.90 0.02 0.00 1.02 0.00 0.00 30.24 30.96 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 -0.96 -5.76 -0.06 1.08 7.64 -1.26 -3.48 113.62 110.82 2j6p n SER 78 Ca 0.02 -0.20 -0.07 0.00 1.01 0.00 0.00 58.87 59.63 2j6p n SER 78 Cb 0.13 -4.71 -0.09 0.00 -1.01 0.00 0.00 64.21 58.53 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 -3.69 0.34 0.05 -3.43 4.77 -1.26 -4.60 117.00 109.18 2j6p n LEU 79 Ca -0.14 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2j6p n LEU 79 Cb 0.63 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 2j6p n LEU 79 CO 0.42 0.35 0.00 0.52 -1.33 0.00 0.00 177.39 177.35 2j6p n VAL 80 N -2.51 0.76 0.01 4.08 0.31 -1.26 -4.74 118.33 114.97 2j6p n VAL 80 Ca -0.21 0.25 -0.14 0.00 -0.01 0.00 0.00 64.34 64.24 2j6p n VAL 80 Cb 0.88 -1.24 -0.02 0.00 -0.91 0.00 0.00 33.84 32.56 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 0.62 -0.01 5.55 3.08 -1.92 -2.25 114.38 119.46 2j6p h ARG 81 Ca 0.00 -0.50 -0.00 0.00 0.07 0.00 0.00 59.98 59.55 2j6p h ARG 81 Cb 0.00 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2j6p h ARG 81 CO 0.00 1.12 -0.01 0.00 -1.07 0.00 0.00 179.97 180.01 2j6p h ALA 82 N 0.74 0.01 -0.34 0.04 0.00 -1.87 -1.58 119.26 116.25 2j6p h ALA 82 Ca -0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 2j6p h ALA 82 Cb 1.34 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2j6p h ALA 82 CO 0.14 -0.20 0.08 -1.00 0.00 0.00 0.00 179.25 178.27 2j6p h PRO 83 N -0.53 0.50 -0.11 0.00 0.13 -1.81 0.02 132.00 130.20 2j6p h PRO 83 Ca 0.00 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2j6p h PRO 83 Cb 0.57 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 2j6p h PRO 83 CO 0.00 0.47 0.07 0.87 -0.23 0.00 0.00 178.00 179.18 2j6p h LYS 84 N 0.49 0.14 -0.89 0.86 1.57 -1.39 -0.23 116.57 117.12 2j6p h LYS 84 Ca 0.12 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.97 2j6p h LYS 84 Cb 0.20 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.41 2j6p h LYS 84 CO -0.00 0.09 0.54 0.78 -0.57 0.00 0.00 179.45 180.29 2j6p h GLY 85 N 0.14 1.37 1.14 3.86 0.00 -1.05 -0.30 103.07 108.24 2j6p h GLY 85 Ca 0.04 -0.38 -0.14 0.00 0.00 0.00 0.00 47.33 46.85 2j6p h GLY 85 CO -0.01 0.22 -0.29 0.00 0.00 0.00 0.00 176.54 176.46 2j6p h ALA 86 N 1.44 0.66 0.27 3.60 0.00 -0.83 0.21 119.26 124.60 2j6p h ALA 86 Ca 0.41 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2j6p h ALA 86 Cb 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2j6p h ALA 86 CO -0.21 0.68 -0.21 -0.91 0.00 0.00 0.00 179.25 178.60 2j6p h ASN 87 N 0.81 -0.54 -0.69 0.00 2.35 -0.76 0.55 115.58 117.31 2j6p h ASN 87 Ca 0.09 0.04 0.06 0.00 -0.55 0.00 0.00 56.30 55.94 2j6p h ASN 87 Cb 0.87 0.17 -0.05 0.00 0.05 0.00 0.00 38.32 39.36 2j6p h ASN 87 CO 0.08 -0.32 0.39 0.03 -1.65 0.00 0.00 177.43 175.96 2j6p h ARG 88 N -0.48 0.71 -0.22 0.81 3.08 -0.75 -0.90 114.38 116.63 2j6p h ARG 88 Ca -0.02 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2j6p h ARG 88 Cb 0.42 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2j6p h ARG 88 CO -0.01 0.47 0.12 0.35 -1.07 0.00 0.00 179.97 179.83 2j6p h PHE 89 N 0.73 0.31 -0.39 3.04 3.57 -0.49 -0.66 116.94 123.05 2j6p h PHE 89 Ca 0.30 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.65 2j6p h PHE 89 Cb 0.16 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 2j6p h PHE 89 CO -0.07 0.28 -0.31 0.00 -2.23 0.00 0.00 178.31 175.98 2j6p h ALA 90 N 1.00 0.70 -0.64 2.41 0.00 -0.65 0.15 119.26 122.24 2j6p h ALA 90 Ca 0.08 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 2j6p h ALA 90 Cb 0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2j6p h ALA 90 CO -0.01 0.67 0.22 -0.07 0.00 0.00 0.00 179.25 180.05 2j6p h LEU 91 N 0.73 0.91 -0.88 0.00 3.38 -1.07 -1.81 115.31 116.58 2j6p h LEU 91 Ca 0.08 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 2j6p h LEU 91 Cb 0.88 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 2j6p h LEU 91 CO 0.08 0.86 0.36 0.00 0.09 0.00 0.00 178.44 179.84 2j6p h ALA 92 N 1.08 1.12 -0.34 1.53 0.00 -0.65 -0.99 119.26 121.01 2j6p h ALA 92 Ca 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2j6p h ALA 92 Cb 0.26 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2j6p h ALA 92 CO -0.01 0.65 0.15 1.96 0.00 0.00 0.00 179.25 182.00 2j6p h GLN 93 N 1.16 0.50 -0.51 0.00 4.20 -0.45 -1.47 115.11 118.54 2j6p h GLN 93 Ca 0.28 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 2j6p h GLN 93 Cb 0.15 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2j6p h GLN 93 CO -0.03 0.48 0.31 -0.22 -0.67 0.00 0.00 178.83 178.70 2j6p h LYS 94 N 0.41 0.68 -0.13 1.46 3.64 -1.15 0.82 116.57 122.30 2j6p h LYS 94 Ca 0.12 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2j6p h LYS 94 Cb 0.16 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2j6p h LYS 94 CO -0.01 0.49 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.42 2j6p h LYS 95 N 0.68 0.19 0.00 1.90 3.64 -0.70 -1.94 116.57 120.33 2j6p h LYS 95 Ca 0.18 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2j6p h LYS 95 Cb -0.02 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2j6p h LYS 95 CO -0.04 0.23 -0.97 1.28 -2.27 0.00 0.00 179.45 177.69 2j6p n LEU 96 N -4.40 0.64 0.00 5.20 4.77 -0.60 -4.95 117.00 117.66 2j6p n LEU 96 Ca -0.01 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2j6p n LEU 96 Cb 0.17 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2j6p n LEU 96 CO 0.36 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2j6p n GLY 97 N 1.33 1.18 3.74 -0.72 0.00 0.05 -5.08 105.19 105.69 2j6p n GLY 97 Ca 0.02 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 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 3.07 0.00 1.61 1.51 0.06 -5.00 117.35 116.61 2j6p s TYR 98 Ca 0.00 -0.01 0.00 0.00 -1.01 0.00 0.00 57.07 56.05 2j6p s TYR 98 Cb 0.00 -1.54 0.00 0.00 -0.11 0.00 0.00 41.96 40.31 2j6p s TYR 98 CO 0.00 0.51 0.28 1.55 -1.11 0.00 0.00 175.55 176.77 2j6p n VAL 99 N 0.23 0.07 -4.75 0.71 3.14 -1.26 -4.20 118.33 112.27 2j6p n VAL 99 Ca -0.09 -0.21 -0.28 0.00 -2.96 0.00 0.00 64.34 60.80 2j6p n VAL 99 Cb 0.53 1.48 -0.14 0.00 -1.06 0.00 0.00 33.84 34.65 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 -0.07 2.17 0.87 6.55 2.01 -1.26 -3.92 118.68 125.02 2j6p s LEU 100 Ca 0.00 -0.56 -0.11 0.00 0.01 0.00 0.00 54.13 53.47 2j6p s LEU 100 Cb 0.00 -1.12 0.11 0.00 0.01 0.00 0.00 46.19 45.19 2j6p s LEU 100 CO 0.00 0.20 1.10 -2.16 1.01 0.00 0.00 176.35 176.51 2j6p s PRO 101 N -1.24 1.47 0.55 1.29 0.04 -1.21 -4.39 135.00 131.52 2j6p s PRO 101 Ca 0.10 1.18 -0.15 0.00 0.04 0.00 0.00 61.00 62.16 2j6p s PRO 101 Cb -0.09 -1.81 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 2j6p s PRO 101 CO 0.02 -2.20 1.01 0.00 0.04 0.00 0.00 177.00 175.87 2j6p s ALA 102 N -2.81 3.01 -0.18 8.56 0.00 0.02 -4.77 121.76 125.58 2j6p s ALA 102 Ca 0.64 0.16 -0.05 0.00 0.00 0.00 0.00 51.96 52.70 2j6p s ALA 102 Cb -0.19 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 2j6p s ALA 102 CO 0.57 -0.45 0.01 0.08 0.00 0.00 0.00 175.76 175.97 2j6p s VAL 103 N -2.72 4.16 0.08 0.00 1.01 -1.26 -0.57 120.40 121.09 2j6p s VAL 103 Ca 0.59 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.35 2j6p s VAL 103 Cb -0.11 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 2j6p s VAL 103 CO 0.37 0.45 -0.10 -0.31 0.00 0.00 0.00 175.10 175.51 2j6p s TYR 104 N 0.68 0.98 -0.10 5.22 2.02 0.21 -2.39 117.35 123.97 2j6p s TYR 104 Ca 0.00 -0.60 0.03 0.00 -0.37 0.00 0.00 57.07 56.13 2j6p s TYR 104 Cb -0.14 -0.55 -0.01 0.00 -0.40 0.00 0.00 41.96 40.86 2j6p s TYR 104 CO 0.02 -0.02 -0.19 0.08 -1.57 0.00 0.00 175.55 173.87 2j6p s VAL 105 N -2.03 2.53 -0.43 0.71 1.01 -0.51 -0.16 120.40 121.52 2j6p s VAL 105 Ca 0.00 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 60.83 2j6p s VAL 105 Cb -0.05 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 34.35 2j6p s VAL 105 CO 0.00 0.55 1.14 -0.22 0.00 0.00 0.00 175.10 176.57 2j6p s LEU 106 N 0.19 3.72 0.05 3.92 2.96 0.01 -0.55 118.68 128.97 2j6p s LEU 106 Ca -0.11 0.65 -0.33 0.00 -0.22 0.00 0.00 54.13 54.12 2j6p s LEU 106 Cb -0.16 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 42.86 2j6p s LEU 106 CO 0.06 -1.16 1.78 -1.14 -1.32 0.00 0.00 176.35 174.58 2j6p n ARG 107 N 7.59 2.37 0.00 1.98 3.00 0.25 -1.62 116.66 130.23 2j6p n ARG 107 Ca 0.12 0.86 0.00 0.00 -0.00 0.00 0.00 57.85 58.83 2j6p n ARG 107 Cb 0.48 -2.70 0.00 0.00 0.00 0.00 0.00 32.46 30.24 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 4.07 2.15 7.00 5.14 0.00 -1.23 -4.59 105.19 117.73 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 0.01 0.37 -0.02 0.00 -0.64 -2.05 105.19 100.85 2j6p n GLY 109 Ca 0.00 -0.94 0.01 0.00 0.00 0.00 0.00 46.02 45.08 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 1.19 -0.34 1.61 2.91 -0.74 -1.95 115.95 118.63 2j6p h TRP 110 Ca 0.00 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.04 2j6p h TRP 110 Cb 0.00 -0.40 -0.02 0.00 -0.51 0.00 0.00 29.16 28.24 2j6p h TRP 110 CO 0.00 0.66 0.19 0.93 -1.03 0.00 0.00 178.44 179.19 2j6p h GLU 111 N 1.21 0.48 -0.39 2.65 5.08 -1.40 0.12 114.58 122.33 2j6p h GLU 111 Ca 0.40 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.60 2j6p h GLU 111 Cb 0.06 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2j6p h GLU 111 CO -0.14 0.39 -0.19 0.00 -1.00 0.00 0.00 179.01 178.06 2j6p h ALA 112 N 1.06 0.93 0.87 3.43 0.00 -1.12 0.15 119.26 124.57 2j6p h ALA 112 Ca 0.12 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2j6p h ALA 112 Cb 0.05 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.69 2j6p h ALA 112 CO -0.02 0.62 -0.42 0.35 0.00 0.00 0.00 179.25 179.78 2j6p h PHE 113 N 0.66 -1.08 -0.11 0.00 3.57 -0.90 -0.52 116.94 118.56 2j6p h PHE 113 Ca 0.10 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 2j6p h PHE 113 Cb 0.69 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 2j6p h PHE 113 CO 0.03 -0.67 -0.19 -0.92 -2.23 0.00 0.00 178.31 174.34 2j6p h TYR 114 N -1.21 0.19 -0.82 0.41 3.20 -0.77 -0.65 116.97 117.32 2j6p h TYR 114 Ca -0.12 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.71 2j6p h TYR 114 Cb 0.90 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.07 2j6p h TYR 114 CO -0.01 0.37 0.46 1.25 -1.64 0.00 0.00 178.16 178.59 2j6p h HIS 115 N 0.17 1.10 0.01 -3.82 2.76 -0.55 0.57 115.15 115.40 2j6p h HIS 115 Ca 0.03 -0.02 -0.22 0.00 -2.20 0.00 0.00 60.37 57.97 2j6p h HIS 115 Cb 0.44 -0.36 -0.03 0.00 1.55 0.00 0.00 27.41 29.01 2j6p h HIS 115 CO 0.01 0.75 -1.02 1.98 -1.30 0.00 0.00 177.93 178.35 2j6p h MET 116 N 1.14 0.03 0.00 5.26 1.85 -0.19 -3.39 114.93 119.63 2j6p h MET 116 Ca 0.29 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.33 2j6p h MET 116 Cb 0.00 0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.05 2j6p h MET 116 CO -0.05 1.02 -0.21 0.66 -0.40 0.00 0.00 176.91 177.93 2j6p n TYR 117 N -3.38 0.00 -0.08 1.39 4.02 -0.34 -4.73 117.16 114.04 2j6p n TYR 117 Ca -0.01 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.98 2j6p n TYR 117 Cb 0.94 0.00 0.46 0.00 -0.02 0.00 0.00 39.34 40.73 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 0.64 0.46 2.72 0.00 -0.00 0.50 103.07 107.38 2j6p h GLY 118 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2j6p h GLY 118 CO 0.00 0.14 -0.85 2.09 0.00 0.00 0.00 176.54 177.91 2j6p n ASP 119 N -4.47 0.73 -0.00 0.19 5.68 -1.26 -4.05 116.55 113.36 2j6p n ASP 119 Ca 0.09 -0.57 0.01 0.00 -0.50 0.00 0.00 54.79 53.82 2j6p n ASP 119 Cb 0.30 0.72 -0.01 0.00 -1.14 0.00 0.00 41.12 40.99 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 -1.60 0.00 -3.08 2.12 0.24 -0.96 -4.77 118.33 110.27 2j6p n VAL 120 Ca 0.04 -0.10 -0.24 0.00 -2.04 0.00 0.00 64.34 62.00 2j6p n VAL 120 Cb 0.36 0.54 -0.04 0.00 -1.47 0.00 0.00 33.84 33.22 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 -1.48 2.40 0.00 7.34 5.12 0.17 -4.90 116.66 125.31 2j6p n ARG 121 Ca -0.00 -4.35 0.05 0.00 -1.93 0.00 0.00 57.85 51.62 2j6p n ARG 121 Cb 0.04 -2.04 0.24 0.00 -1.16 0.00 0.00 32.46 29.54 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 0.13 0.12 0.10 5.56 -0.04 -1.26 -1.26 135.00 138.36 2j6p n PRO 122 Ca 0.29 0.21 0.12 0.00 -0.04 0.00 0.00 63.50 64.08 2j6p n PRO 122 Cb 0.47 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.88 2j6p n PRO 122 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2j6p n ASP 123 N -1.31 0.63 -0.02 3.54 5.75 -1.26 -2.10 116.55 121.78 2j6p n ASP 123 Ca 0.04 0.60 0.11 0.00 -0.01 0.00 0.00 54.79 55.53 2j6p n ASP 123 Cb 0.08 -0.76 0.03 0.00 -1.03 0.00 0.00 41.12 39.45 2j6p n ASP 123 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2j6p n LEU 124 N -2.14 0.85 -4.45 -2.12 4.77 -0.39 -4.89 117.00 108.63 2j6p n LEU 124 Ca 0.04 -0.32 -0.36 0.00 -0.03 0.00 0.00 56.01 55.34 2j6p n LEU 124 Cb 0.32 -0.10 -0.12 0.00 -2.33 0.00 0.00 43.42 41.19 2j6p n LEU 124 CO 0.25 0.21 -0.29 -0.04 -1.33 0.00 0.00 177.39 176.18 2j6p s MET 125 N -2.97 3.65 0.13 3.23 -1.94 -1.10 -4.42 119.30 115.88 2j6p s MET 125 Ca 0.10 -0.48 0.07 0.00 -1.71 0.00 0.00 55.69 53.66 2j6p s MET 125 Cb 0.17 -3.25 -0.04 0.00 2.01 0.00 0.00 34.83 33.71 2j6p s MET 125 CO 0.79 -0.12 -0.06 0.71 -0.01 0.00 0.00 175.02 176.33 2j6p s TYR 126 N 1.41 2.79 0.28 -0.03 1.51 -0.19 -0.50 117.35 122.62 2j6p s TYR 126 Ca 0.05 -0.14 0.02 0.00 -1.01 0.00 0.00 57.07 55.99 2j6p s TYR 126 Cb -0.15 -1.41 -0.04 0.00 -0.11 0.00 0.00 41.96 40.25 2j6p s TYR 126 CO 0.03 0.47 0.14 0.14 -1.11 0.00 0.00 175.55 175.23 2j6p s VAL 127 N -1.45 0.34 -0.07 0.71 -7.23 -0.44 -1.58 120.40 110.68 2j6p s VAL 127 Ca 0.24 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.43 2j6p s VAL 127 Cb -0.10 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 2j6p s VAL 127 CO 0.16 0.00 -0.10 -0.54 -0.31 0.00 0.00 175.10 174.31 2j6p s LYS 128 N -3.89 2.78 -0.01 4.82 1.02 -1.26 -1.36 119.74 121.83 2j6p s LYS 128 Ca 0.37 -0.60 -0.03 0.00 0.02 0.00 0.00 55.97 55.72 2j6p s LYS 128 Cb 0.06 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 34.82 2j6p s LYS 128 CO 0.16 0.59 0.07 -1.17 -0.92 0.00 0.00 175.35 174.08 2j6p s LEU 129 N -0.62 1.77 0.00 3.17 0.20 0.86 -4.83 118.68 119.23 2j6p s LEU 129 Ca 0.09 -0.05 0.00 0.00 0.69 0.00 0.00 54.13 54.86 2j6p s LEU 129 Cb -0.11 0.34 0.00 0.00 -0.43 0.00 0.00 46.19 45.98 2j6p s LEU 129 CO 0.02 -0.16 0.00 0.61 -0.29 0.00 0.00 176.35 176.52 2j6p n GLY 130 N 2.38 -3.39 0.26 7.98 0.00 -1.26 0.18 105.19 111.35 2j6p n GLY 130 Ca -0.17 -2.02 0.12 0.00 0.00 0.00 0.00 46.02 43.95 2j6p n GLY 130 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2j6p h PRO 131 N 0.00 0.00 -0.01 1.61 0.11 -2.01 -1.54 132.00 130.16 2j6p h PRO 131 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2j6p h PRO 131 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2j6p h PRO 131 CO 0.00 0.13 -0.20 0.39 -0.21 0.00 0.00 178.00 178.11 2j6p n GLU 132 N -3.72 1.24 -3.90 1.05 -0.58 -1.26 -4.98 120.64 108.50 2j6p n GLU 132 Ca -0.02 -0.82 -0.37 0.00 -0.42 0.00 0.00 57.16 55.53 2j6p n GLU 132 Cb 0.25 -1.48 0.02 0.00 -0.57 0.00 0.00 31.44 29.65 2j6p n GLU 132 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2j6p n GLN 133 N -0.16 -1.06 -3.13 3.49 1.13 -0.58 -4.94 117.38 112.13 2j6p n GLN 133 Ca 0.14 0.28 -0.39 0.00 -1.94 0.00 0.00 57.00 55.09 2j6p n GLN 133 Cb 0.39 -3.52 -0.06 0.00 0.11 0.00 0.00 30.24 27.16 2j6p n GLN 133 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2j6p s LYS 134 N -6.69 4.37 0.26 -1.09 1.02 0.13 -4.39 119.74 113.35 2j6p s LYS 134 Ca 0.41 0.93 -0.31 0.00 0.02 0.00 0.00 55.97 57.02 2j6p s LYS 134 Cb -0.18 -3.23 -0.12 0.00 -0.52 0.00 0.00 37.83 33.78 2j6p s LYS 134 CO 0.92 0.59 1.64 1.28 -0.92 0.00 0.00 175.35 178.86 2j6p n LEU 135 N 1.59 4.19 -3.61 3.17 4.77 -1.26 -0.10 117.00 125.76 2j6p n LEU 135 Ca -0.08 1.11 -0.16 0.00 -0.03 0.00 0.00 56.01 56.86 2j6p n LEU 135 Cb 0.50 -1.58 -0.07 0.00 -2.33 0.00 0.00 43.42 39.94 2j6p n LEU 135 CO 0.44 0.15 0.33 -0.51 -1.33 0.00 0.00 177.39 176.46 2j6p s ILE 136 N 0.43 0.01 0.61 -0.08 2.07 -0.46 -4.96 121.20 118.82 2j6p s ILE 136 Ca 0.68 -0.07 -0.13 0.00 -1.41 0.00 0.00 60.65 59.72 2j6p s ILE 136 Cb -0.51 -0.89 -0.04 0.00 0.13 0.00 0.00 42.46 41.16 2j6p s ILE 136 CO 0.42 -0.04 1.03 -0.94 -1.91 0.00 0.00 174.94 173.51 2j6p s SER 137 N -0.63 6.06 0.39 4.50 1.04 -1.26 -1.33 113.70 122.47 2j6p s SER 137 Ca -0.07 1.54 0.17 0.00 0.48 0.00 0.00 55.95 58.06 2j6p s SER 137 Cb -0.02 -2.49 0.78 0.00 0.10 0.00 0.00 66.02 64.39 2j6p s SER 137 CO 0.06 -0.98 1.81 -0.33 0.98 0.00 0.00 173.24 174.78 2j6p h GLU 138 N -0.08 0.00 -0.38 4.02 5.08 -0.73 -1.59 114.58 120.90 2j6p h GLU 138 Ca -0.45 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 57.95 2j6p h GLU 138 Cb 1.20 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 2j6p h GLU 138 CO 0.60 0.36 0.15 1.49 -1.00 0.00 0.00 179.01 180.61 2j6p h GLU 139 N 0.00 0.30 -0.16 2.33 4.81 -1.67 0.28 114.58 120.47 2j6p h GLU 139 Ca -0.00 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.04 2j6p h GLU 139 Cb 0.73 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 2j6p h GLU 139 CO 0.05 0.20 -0.60 -0.44 -0.73 0.00 0.00 179.01 177.48 2j6p h ASP 140 N 0.31 0.59 -0.26 1.04 3.32 -1.74 -1.34 116.42 118.34 2j6p h ASP 140 Ca 0.17 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 2j6p h ASP 140 Cb 0.14 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2j6p h ASP 140 CO -0.17 1.06 0.14 -0.07 -1.72 0.00 0.00 179.24 178.49 2j6p h LEU 141 N 0.39 0.32 -0.75 1.55 4.07 -1.01 -0.39 115.31 119.49 2j6p h LEU 141 Ca -0.00 -0.08 0.13 0.00 0.08 0.00 0.00 57.88 58.00 2j6p h LEU 141 Cb 1.16 -0.08 -0.09 0.00 1.08 0.00 0.00 40.66 42.73 2j6p h LEU 141 CO 0.11 0.31 0.34 0.78 -1.08 0.00 0.00 178.44 178.90 2j6p h ASN 142 N 0.31 0.37 -0.35 -0.43 2.35 -0.04 -1.24 115.58 116.54 2j6p h ASN 142 Ca 0.09 0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 2j6p h ASN 142 Cb 0.06 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 2j6p h ASN 142 CO -0.01 0.17 0.14 0.28 -1.65 0.00 0.00 177.43 176.36 2j6p h SER 143 N 0.52 0.49 -0.22 5.81 0.02 -0.76 -2.27 113.55 117.13 2j6p h SER 143 Ca 0.40 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 61.10 2j6p h SER 143 Cb 0.55 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 2j6p h SER 143 CO -0.36 0.52 -0.15 0.00 -1.14 0.00 0.00 176.83 175.70 2j6p h ALA 144 N 0.99 1.08 -0.45 3.77 0.00 -0.82 -2.83 119.26 121.00 2j6p h ALA 144 Ca 0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2j6p h ALA 144 Cb 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2j6p h ALA 144 CO -0.01 0.57 0.25 0.28 0.00 0.00 0.00 179.25 180.33 2j6p h VAL 145 N 0.58 1.16 -0.11 0.00 2.07 -0.90 -3.32 116.25 115.72 2j6p h VAL 145 Ca 0.10 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 2j6p h VAL 145 Cb 0.59 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2j6p h VAL 145 CO 0.04 0.17 0.45 0.47 0.02 0.00 0.00 177.57 178.72 2j6p n ASP 146 N -4.70 0.37 0.00 0.57 8.00 -0.88 -5.11 116.55 114.79 2j6p n ASP 146 Ca 0.01 -1.81 0.00 0.00 0.71 0.00 0.00 54.79 53.70 2j6p n ASP 146 Cb 0.08 -1.33 0.00 0.00 -0.02 0.00 0.00 41.12 39.85 2j6p n ASP 146 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22