#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1djm s ALA 2 N 0.00 2.90 -1.07 -5.12 0.00 -1.26 -4.98 121.76 112.23 1djm s ALA 2 Ca 0.00 -1.67 0.18 0.00 0.00 0.00 0.00 51.96 50.46 1djm s ALA 2 Cb 0.00 -2.03 0.78 0.00 0.00 0.00 0.00 23.12 21.87 1djm s ALA 2 CO 0.00 -1.18 1.56 -0.25 0.00 0.00 0.00 175.76 175.89 1djm n ASP 3 N 4.72 0.00 0.00 0.00 8.00 -1.26 -4.25 116.55 123.75 1djm n ASP 3 Ca -0.14 0.42 0.02 0.00 0.71 0.00 0.00 54.79 55.81 1djm n ASP 3 Cb 0.45 -0.46 0.13 0.00 -0.02 0.00 0.00 41.12 41.22 1djm n ASP 3 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1djm n LYS 4 N -1.46 0.41 0.25 -1.24 5.02 -1.26 -2.45 118.16 117.43 1djm n LYS 4 Ca 0.05 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.47 1djm n LYS 4 Cb 0.20 -1.17 0.55 0.00 -0.02 0.00 0.00 35.03 34.59 1djm n LYS 4 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1djm h GLU 5 N 0.00 0.00 -6.28 1.97 4.11 -1.97 -3.44 114.58 108.98 1djm h GLU 5 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.36 58.78 1djm h GLU 5 Cb 0.00 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.28 1djm h GLU 5 CO 0.00 0.11 0.90 -0.11 0.07 0.00 0.00 179.01 179.98 1djm n LEU 6 N -3.24 2.83 -4.93 3.06 0.00 -1.02 -4.91 117.00 108.78 1djm n LEU 6 Ca 0.00 1.04 -0.26 0.00 0.00 0.00 0.00 56.01 56.80 1djm n LEU 6 Cb 0.37 -1.29 0.00 0.00 0.00 0.00 0.00 43.42 42.51 1djm n LEU 6 CO 0.30 -0.34 0.37 -0.54 0.00 0.00 0.00 177.39 177.18 1djm s LYS 7 N 2.86 3.33 -0.37 1.96 1.02 -1.26 -4.57 119.74 122.71 1djm s LYS 7 Ca 0.91 -0.10 0.01 0.00 0.02 0.00 0.00 55.97 56.81 1djm s LYS 7 Cb -0.84 -2.46 0.12 0.00 -0.52 0.00 0.00 37.83 34.13 1djm s LYS 7 CO 0.53 -0.22 0.16 -0.06 -0.92 0.00 0.00 175.35 174.83 1djm s PHE 8 N -2.65 1.88 0.29 3.18 0.40 -1.16 -1.77 117.98 118.15 1djm s PHE 8 Ca 0.47 -2.08 -0.29 0.00 -0.60 0.00 0.00 56.93 54.42 1djm s PHE 8 Cb -0.10 -1.81 -0.10 0.00 0.51 0.00 0.00 43.02 41.52 1djm s PHE 8 CO 0.42 -0.84 1.25 -1.17 0.70 0.00 0.00 175.22 175.58 1djm s LEU 9 N 1.03 4.46 -0.15 -0.37 2.96 -0.15 0.02 118.68 126.48 1djm s LEU 9 Ca 0.14 2.53 -0.01 0.00 -0.22 0.00 0.00 54.13 56.56 1djm s LEU 9 Cb -0.21 -3.64 0.04 0.00 0.50 0.00 0.00 46.19 42.89 1djm s LEU 9 CO -0.12 -0.43 -0.02 -0.69 -1.32 0.00 0.00 176.35 173.76 1djm s VAL 10 N -0.90 0.82 -0.54 1.68 1.01 -0.26 -0.88 120.40 121.33 1djm s VAL 10 Ca 0.49 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 62.10 1djm s VAL 10 Cb -0.37 -1.05 0.20 0.00 0.00 0.00 0.00 36.38 35.15 1djm s VAL 10 CO 0.47 0.10 0.49 0.52 0.00 0.00 0.00 175.10 176.68 1djm n VAL 11 N 4.98 0.32 -2.64 2.92 0.31 -0.18 -3.64 118.33 120.39 1djm n VAL 11 Ca -0.10 -4.26 -0.27 0.00 -0.01 0.00 0.00 64.34 59.69 1djm n VAL 11 Cb 0.48 -1.94 -0.00 0.00 -0.91 0.00 0.00 33.84 31.47 1djm n VAL 11 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1djm s ASP 12 N -1.04 6.27 0.21 4.52 -4.77 -1.26 -0.51 116.67 120.08 1djm s ASP 12 Ca 0.32 0.94 -0.09 0.00 -3.30 0.00 0.00 52.55 50.42 1djm s ASP 12 Cb 0.06 -2.25 0.14 0.00 -1.09 0.00 0.00 42.92 39.78 1djm s ASP 12 CO -0.15 -0.57 1.77 -0.78 0.70 0.00 0.00 175.17 176.14 1djm h ASP 13 N 0.25 1.05 0.00 2.11 3.58 -1.90 -3.40 116.42 118.11 1djm h ASP 13 Ca -0.47 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 56.81 1djm h ASP 13 Cb 1.20 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.98 1djm h ASP 13 CO 0.62 0.94 -0.31 0.33 -2.88 0.00 0.00 179.24 177.94 1djm n PHE 14 N -4.31 0.59 0.00 0.28 7.35 -1.26 -5.03 117.46 115.07 1djm n PHE 14 Ca 0.06 0.26 0.00 0.00 -0.76 0.00 0.00 57.45 57.01 1djm n PHE 14 Cb 0.18 -0.58 0.00 0.00 0.35 0.00 0.00 39.48 39.44 1djm n PHE 14 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1djm n SER 15 N -3.71 0.00 0.04 -2.13 7.64 -1.26 -4.94 113.62 109.26 1djm n SER 15 Ca -0.04 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.83 1djm n SER 15 Cb 0.16 0.00 0.28 0.00 -1.01 0.00 0.00 64.21 63.64 1djm n SER 15 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1djm h THR 16 N 0.00 1.23 0.00 0.44 2.02 -1.97 -0.52 112.91 114.11 1djm h THR 16 Ca 0.00 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 1djm h THR 16 Cb 0.00 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1djm h THR 16 CO 0.00 0.32 -0.05 0.24 0.37 0.00 0.00 175.52 176.40 1djm h MET 17 N 0.39 0.00 -0.18 6.66 2.86 -1.97 -1.09 114.93 121.60 1djm h MET 17 Ca 0.07 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1djm h MET 17 Cb 0.49 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1djm h MET 17 CO 0.03 0.05 0.07 -0.09 1.06 0.00 0.00 176.91 178.03 1djm h ARG 18 N 0.00 0.27 -0.22 1.72 2.43 -1.47 0.29 114.38 117.40 1djm h ARG 18 Ca -0.00 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1djm h ARG 18 Cb 0.12 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1djm h ARG 18 CO 0.01 0.36 0.09 -0.09 -1.51 0.00 0.00 179.97 178.82 1djm h ARG 19 N 0.13 0.19 0.06 0.20 9.65 -1.11 0.91 114.38 124.41 1djm h ARG 19 Ca 0.06 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1djm h ARG 19 Cb 0.19 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.72 1djm h ARG 19 CO -0.00 0.13 -0.08 0.82 2.80 0.00 0.00 179.97 183.63 1djm h ILE 20 N 0.20 0.00 -0.64 1.20 5.03 -1.18 -1.77 117.51 120.35 1djm h ILE 20 Ca 0.09 0.00 0.13 0.00 -0.12 0.00 0.00 64.86 64.96 1djm h ILE 20 Cb 0.05 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 33.74 1djm h ILE 20 CO -0.08 0.00 0.10 0.58 -0.68 0.00 0.00 178.15 178.06 1djm h VAL 21 N -0.15 0.56 -0.25 1.67 2.07 -0.73 0.18 116.25 119.60 1djm h VAL 21 Ca -0.01 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.49 1djm h VAL 21 Cb 0.14 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 1djm h VAL 21 CO -0.02 0.04 -0.11 -0.09 0.02 0.00 0.00 177.57 177.41 1djm h ARG 22 N 0.21 -0.07 -0.44 1.57 1.12 -0.80 -0.31 114.38 115.66 1djm h ARG 22 Ca 0.34 0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 59.16 1djm h ARG 22 Cb 0.55 0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.50 1djm h ARG 22 CO -0.47 -0.05 0.07 -0.97 -3.11 0.00 0.00 179.97 175.44 1djm h ASN 23 N -0.07 0.71 -0.77 -3.80 -1.24 -0.07 -1.84 115.58 108.50 1djm h ASN 23 Ca 0.13 -0.26 0.09 0.00 0.71 0.00 0.00 56.30 56.96 1djm h ASN 23 Cb 0.27 -0.19 -0.07 0.00 0.73 0.00 0.00 38.32 39.06 1djm h ASN 23 CO -0.29 0.79 0.42 -0.07 -1.29 0.00 0.00 177.43 176.99 1djm h LEU 24 N 0.60 0.58 -0.08 0.34 3.38 -0.17 0.93 115.31 120.90 1djm h LEU 24 Ca 0.13 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1djm h LEU 24 Cb 0.39 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1djm h LEU 24 CO 0.01 0.34 0.01 -0.07 0.09 0.00 0.00 178.44 178.81 1djm h LEU 25 N 0.71 0.13 -1.22 1.67 3.38 -0.94 -2.73 115.31 116.31 1djm h LEU 25 Ca 0.37 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1djm h LEU 25 Cb 0.35 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1djm h LEU 25 CO -0.25 0.38 -0.10 0.11 0.09 0.00 0.00 178.44 178.67 1djm h LYS 26 N -0.13 0.41 -0.22 1.13 1.79 -0.67 -0.40 116.57 118.48 1djm h LYS 26 Ca 0.02 -0.10 0.05 0.00 -2.18 0.00 0.00 60.65 58.43 1djm h LYS 26 Cb 0.31 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 1djm h LYS 26 CO 0.00 0.52 0.16 0.93 -1.08 0.00 0.00 179.45 179.98 1djm h GLU 27 N 0.39 0.09 -0.71 3.15 4.39 -0.77 -1.53 114.58 119.60 1djm h GLU 27 Ca 0.08 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1djm h GLU 27 Cb 0.42 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1djm h GLU 27 CO 0.02 0.06 0.00 1.28 -1.16 0.00 0.00 179.01 179.21 1djm n LEU 28 N -4.49 4.40 0.00 1.33 4.77 -0.26 -4.97 117.00 117.78 1djm n LEU 28 Ca 0.02 -2.21 0.00 0.00 -0.03 0.00 0.00 56.01 53.79 1djm n LEU 28 Cb 0.23 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1djm n LEU 28 CO 0.35 0.92 0.00 0.61 -1.33 0.00 0.00 177.39 177.93 1djm n GLY 29 N 1.45 2.69 3.78 -0.72 0.00 -0.57 -5.03 105.19 106.79 1djm n GLY 29 Ca 0.26 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1djm n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1djm s PHE 30 N -1.54 2.65 0.34 1.61 0.08 -0.84 -4.81 117.98 115.47 1djm s PHE 30 Ca 0.00 1.20 0.05 0.00 0.12 0.00 0.00 56.93 58.30 1djm s PHE 30 Cb 0.00 -3.98 -0.03 0.00 -0.57 0.00 0.00 43.02 38.44 1djm s PHE 30 CO 0.00 -2.84 0.20 0.54 -0.10 0.00 0.00 175.22 173.02 1djm s ASN 31 N -0.19 1.92 -0.98 1.36 2.20 -1.26 -2.58 114.94 115.41 1djm s ASN 31 Ca 0.52 -1.68 -0.02 0.00 -0.94 0.00 0.00 52.86 50.74 1djm s ASN 31 Cb -0.46 0.50 0.00 0.00 -2.00 0.00 0.00 41.25 39.30 1djm s ASN 31 CO 0.62 -0.98 0.29 -3.20 -2.94 0.00 0.00 177.10 170.89 1djm n ASN 32 N -1.29 -4.25 -4.74 3.54 5.15 -1.26 -4.42 115.26 107.99 1djm n ASN 32 Ca 0.02 -0.14 -0.34 0.00 -0.60 0.00 0.00 54.58 53.52 1djm n ASN 32 Cb 0.64 -3.20 0.08 0.00 -0.53 0.00 0.00 39.78 36.77 1djm n ASN 32 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1djm s VAL 33 N -2.86 2.64 0.37 3.44 -7.23 -1.26 -3.00 120.40 112.50 1djm s VAL 33 Ca 0.14 0.30 0.06 0.00 -1.81 0.00 0.00 61.98 60.67 1djm s VAL 33 Cb -0.06 -2.81 -0.03 0.00 0.56 0.00 0.00 36.38 34.04 1djm s VAL 33 CO 0.18 -0.18 0.23 -0.70 -0.31 0.00 0.00 175.10 174.31 1djm s GLU 34 N -4.05 1.85 0.02 4.82 -6.30 0.10 -4.78 118.70 110.36 1djm s GLU 34 Ca 0.71 -2.10 -0.09 0.00 -2.50 0.00 0.00 54.97 50.99 1djm s GLU 34 Cb -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 34.13 33.87 1djm s GLU 34 CO 0.45 -0.61 0.17 -2.00 0.02 0.00 0.00 175.26 173.30 1djm s GLU 35 N -3.52 0.59 0.25 4.30 2.12 -1.26 -1.10 118.70 120.08 1djm s GLU 35 Ca 0.34 -0.50 -0.02 0.00 0.36 0.00 0.00 54.97 55.15 1djm s GLU 35 Cb 0.02 0.25 -0.03 0.00 0.26 0.00 0.00 34.13 34.63 1djm s GLU 35 CO 0.23 -0.16 0.26 0.00 -0.54 0.00 0.00 175.26 175.05 1djm s ALA 36 N -1.95 0.97 0.03 6.30 0.00 -1.24 -4.90 121.76 120.97 1djm s ALA 36 Ca -0.10 -1.58 -0.22 0.00 0.00 0.00 0.00 51.96 50.06 1djm s ALA 36 Cb -0.04 1.32 -0.15 0.00 0.00 0.00 0.00 23.12 24.24 1djm s ALA 36 CO -0.01 -0.68 1.38 0.93 0.00 0.00 0.00 175.76 177.38 1djm h GLU 37 N 2.41 0.23 -2.12 0.00 5.08 -1.93 -3.45 114.58 114.80 1djm h GLU 37 Ca -0.31 -0.10 0.20 0.00 -1.00 0.00 0.00 59.36 58.14 1djm h GLU 37 Cb 1.25 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 30.39 1djm h GLU 37 CO 0.45 0.58 0.57 0.34 -1.00 0.00 0.00 179.01 179.95 1djm s ASP 38 N -5.88 -0.18 0.36 1.42 2.15 -1.26 -4.93 116.67 108.35 1djm s ASP 38 Ca -0.15 -0.27 0.13 0.00 0.43 0.00 0.00 52.55 52.69 1djm s ASP 38 Cb 0.04 0.39 0.96 0.00 -0.30 0.00 0.00 42.92 44.02 1djm s ASP 38 CO 0.72 -0.71 1.77 1.23 -0.17 0.00 0.00 175.17 178.01 1djm h GLY 39 N 2.00 1.50 0.83 2.66 0.00 -1.91 0.30 103.07 108.45 1djm h GLY 39 Ca -0.24 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 1djm h GLY 39 CO 0.27 -0.14 -0.04 -2.08 0.00 0.00 0.00 176.54 174.55 1djm h VAL 40 N 0.53 1.02 0.00 4.60 2.07 -1.96 -0.18 116.25 122.33 1djm h VAL 40 Ca 0.59 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.70 1djm h VAL 40 Cb 1.27 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1djm h VAL 40 CO -0.35 0.09 -0.17 -0.78 0.02 0.00 0.00 177.57 176.38 1djm h ASP 41 N -0.29 0.00 -0.29 0.57 3.58 -1.74 -2.02 116.42 116.24 1djm h ASP 41 Ca -0.01 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.33 1djm h ASP 41 Cb 0.24 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.29 1djm h ASP 41 CO 0.02 0.17 -0.26 0.00 -2.88 0.00 0.00 179.24 176.29 1djm h ALA 42 N 1.83 0.42 -0.42 -0.78 0.00 0.07 -0.44 119.26 119.93 1djm h ALA 42 Ca -0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1djm h ALA 42 Cb 0.33 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1djm h ALA 42 CO 0.02 0.41 0.04 1.25 0.00 0.00 0.00 179.25 180.97 1djm h LEU 43 N 0.42 0.69 -1.04 0.00 5.85 -0.64 -0.08 115.31 120.52 1djm h LEU 43 Ca 0.05 -0.28 0.08 0.00 0.84 0.00 0.00 57.88 58.57 1djm h LEU 43 Cb 0.82 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.59 1djm h LEU 43 CO 0.07 0.80 0.64 0.78 -0.34 0.00 0.00 178.44 180.38 1djm h ASN 44 N 0.56 0.98 0.81 1.25 4.21 -1.30 -1.59 115.58 120.51 1djm h ASN 44 Ca 0.12 0.02 -0.04 0.00 1.21 0.00 0.00 56.30 57.61 1djm h ASN 44 Cb 0.42 -0.19 0.01 0.00 -1.12 0.00 0.00 38.32 37.44 1djm h ASN 44 CO 0.01 0.60 -0.39 0.11 -1.29 0.00 0.00 177.43 176.47 1djm h LYS 45 N 1.10 -1.05 -0.44 0.81 6.56 -0.77 -3.35 116.57 119.42 1djm h LYS 45 Ca 0.45 0.07 0.09 0.00 -1.06 0.00 0.00 60.65 60.20 1djm h LYS 45 Cb 0.27 0.24 -0.08 0.00 -0.57 0.00 0.00 32.23 32.09 1djm h LYS 45 CO -0.19 -0.70 -0.09 -0.07 -2.06 0.00 0.00 179.45 176.33 1djm h LEU 46 N -1.15 -0.38 0.00 2.94 -0.00 -0.37 -1.33 115.31 115.02 1djm h LEU 46 Ca -0.11 0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1djm h LEU 46 Cb 0.84 0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 1djm h LEU 46 CO 0.18 -0.13 0.00 0.00 -0.00 0.00 0.00 178.44 178.49 1djm n GLN 47 N -5.31 0.31 0.03 1.13 10.64 -0.66 -1.37 117.38 122.15 1djm n GLN 47 Ca 0.03 0.08 0.13 0.00 -1.83 0.00 0.00 57.00 55.42 1djm n GLN 47 Cb 0.24 -1.50 0.50 0.00 -0.86 0.00 0.00 30.24 28.62 1djm n GLN 47 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1djm n ALA 48 N -1.14 2.47 0.00 2.61 0.00 -0.50 -4.81 120.51 119.13 1djm n ALA 48 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1djm n ALA 48 Cb 0.08 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1djm n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1djm n GLY 49 N 1.44 0.00 2.43 0.00 0.00 -0.80 -5.07 105.19 103.19 1djm n GLY 49 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 1djm n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djm n GLY 50 N 0.00 -0.96 3.60 -0.02 0.00 -0.47 -4.92 105.19 102.41 1djm n GLY 50 Ca 0.00 0.42 -0.43 0.00 0.00 0.00 0.00 46.02 46.01 1djm n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1djm s TYR 51 N -2.63 1.64 -0.88 1.61 1.51 -1.26 -4.74 117.35 112.60 1djm s TYR 51 Ca 0.06 0.64 0.05 0.00 -1.01 0.00 0.00 57.07 56.81 1djm s TYR 51 Cb -0.02 -4.07 0.25 0.00 -0.11 0.00 0.00 41.96 38.02 1djm s TYR 51 CO 0.48 -3.16 1.16 0.41 -1.11 0.00 0.00 175.55 173.33 1djm n GLY 52 N 5.52 -0.62 2.98 0.71 0.00 -0.73 -4.41 105.19 108.63 1djm n GLY 52 Ca 0.25 0.02 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 1djm n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1djm s PHE 53 N -3.08 0.41 -0.40 1.61 0.40 -1.21 -4.48 117.98 111.23 1djm s PHE 53 Ca 0.01 -0.27 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 1djm s PHE 53 Cb 0.02 -0.26 0.13 0.00 0.51 0.00 0.00 43.02 43.43 1djm s PHE 53 CO 0.07 -0.06 0.21 0.08 0.70 0.00 0.00 175.22 176.22 1djm s VAL 54 N -0.70 1.07 -0.19 -0.44 1.01 -1.05 -0.98 120.40 119.11 1djm s VAL 54 Ca -0.05 -2.22 -0.05 0.00 0.00 0.00 0.00 61.98 59.66 1djm s VAL 54 Cb -0.05 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1djm s VAL 54 CO -0.00 -0.89 -0.00 -0.63 0.00 0.00 0.00 175.10 173.58 1djm s ILE 55 N 0.67 3.96 0.18 2.22 1.01 -0.06 -1.10 121.20 128.09 1djm s ILE 55 Ca 0.17 -0.31 -0.04 0.00 0.00 0.00 0.00 60.65 60.46 1djm s ILE 55 Cb -0.23 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 1djm s ILE 55 CO -0.03 0.44 0.19 -0.94 0.00 0.00 0.00 174.94 174.60 1djm s SER 56 N 0.87 0.13 1.04 3.58 1.04 -0.70 -1.02 113.70 118.65 1djm s SER 56 Ca 0.01 -1.19 -0.13 0.00 0.48 0.00 0.00 55.95 55.12 1djm s SER 56 Cb -0.14 0.40 0.21 0.00 0.10 0.00 0.00 66.02 66.59 1djm s SER 56 CO 0.02 -0.87 1.09 -0.62 0.98 0.00 0.00 173.24 173.84 1djm s ASP 57 N -3.08 2.26 -0.17 7.02 -1.08 0.33 -0.59 116.67 121.36 1djm s ASP 57 Ca 0.29 1.18 -0.22 0.00 -0.52 0.00 0.00 52.55 53.28 1djm s ASP 57 Cb 0.05 -1.85 -0.19 0.00 -1.46 0.00 0.00 42.92 39.48 1djm s ASP 57 CO 0.07 -3.36 0.40 -0.25 0.52 0.00 0.00 175.17 172.55 1djm h TRP 58 N -2.05 0.00 -1.25 -5.34 2.91 -1.91 -3.31 115.95 105.01 1djm h TRP 58 Ca -0.56 0.00 -0.74 0.00 1.13 0.00 0.00 58.89 58.72 1djm h TRP 58 Cb 1.33 0.00 -0.13 0.00 -0.51 0.00 0.00 29.16 29.85 1djm h TRP 58 CO 0.21 1.04 2.11 -1.71 -1.03 0.00 0.00 178.44 179.06 1djm n ASN 59 N -4.55 4.89 -4.07 2.65 5.15 -1.26 -1.17 115.26 116.90 1djm n ASN 59 Ca -0.18 -3.03 -0.29 0.00 -0.60 0.00 0.00 54.58 50.48 1djm n ASN 59 Cb 0.50 -1.54 -0.17 0.00 -0.53 0.00 0.00 39.78 38.05 1djm n ASN 59 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 1djm s MET 60 N 1.32 2.29 0.00 1.20 1.75 -1.26 -4.81 119.30 119.79 1djm s MET 60 Ca 0.42 -0.59 0.24 0.00 -1.25 0.00 0.00 55.69 54.51 1djm s MET 60 Cb 0.08 -1.93 1.40 0.00 2.84 0.00 0.00 34.83 37.22 1djm s MET 60 CO -0.01 -0.05 1.78 -0.35 -0.65 0.00 0.00 175.02 175.74 1djm n PRO 61 N 4.18 0.72 0.00 4.11 -0.04 -1.26 -2.88 135.00 139.82 1djm n PRO 61 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1djm n PRO 61 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1djm n PRO 61 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1djm n ASN 62 N -1.02 0.00 -4.43 3.54 3.02 -1.26 -4.86 115.26 110.25 1djm n ASN 62 Ca 0.17 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.28 1djm n ASN 62 Cb 0.09 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.23 1djm n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1djm s MET 63 N 0.62 3.61 0.78 3.52 1.75 -1.26 -5.01 119.30 123.31 1djm s MET 63 Ca 0.00 -1.88 -0.15 0.00 -1.25 0.00 0.00 55.69 52.42 1djm s MET 63 Cb 0.00 -4.85 0.02 0.00 2.84 0.00 0.00 34.83 32.84 1djm s MET 63 CO 0.00 -1.70 0.82 -0.40 -0.65 0.00 0.00 175.02 173.09 1djm n ASP 64 N 6.15 -0.23 -0.02 1.11 5.68 -1.14 -3.27 116.55 124.83 1djm n ASP 64 Ca 0.23 0.57 0.15 0.00 -0.50 0.00 0.00 54.79 55.24 1djm n ASP 64 Cb 0.49 -1.35 0.60 0.00 -1.14 0.00 0.00 41.12 39.71 1djm n ASP 64 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1djm h GLY 65 N -0.67 0.29 1.45 6.12 0.00 -1.23 -0.01 103.07 109.01 1djm h GLY 65 Ca -0.46 -0.08 -0.16 0.00 0.00 0.00 0.00 47.33 46.63 1djm h GLY 65 CO 0.43 0.04 -0.53 -2.00 0.00 0.00 0.00 176.54 174.49 1djm h LEU 66 N 0.19 0.65 -0.42 3.11 7.12 -1.87 -0.26 115.31 123.82 1djm h LEU 66 Ca 0.25 -0.34 -0.11 0.00 0.13 0.00 0.00 57.88 57.81 1djm h LEU 66 Cb 0.72 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.66 1djm h LEU 66 CO -0.04 1.05 -0.17 -0.33 -0.13 0.00 0.00 178.44 178.82 1djm h GLU 67 N 0.45 0.86 -0.11 1.25 4.39 -1.38 0.51 114.58 120.56 1djm h GLU 67 Ca 0.01 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1djm h GLU 67 Cb 1.08 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 1djm h GLU 67 CO 0.10 1.01 0.05 1.25 -1.16 0.00 0.00 179.01 180.26 1djm h LEU 68 N 0.68 0.09 0.05 1.33 5.85 -1.11 0.23 115.31 122.43 1djm h LEU 68 Ca 0.10 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1djm h LEU 68 Cb 0.73 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 1djm h LEU 68 CO 0.06 0.07 -0.37 0.25 -0.34 0.00 0.00 178.44 178.10 1djm h LEU 69 N 0.12 -1.13 -1.89 2.25 5.85 -0.97 -1.81 115.31 117.73 1djm h LEU 69 Ca 0.04 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1djm h LEU 69 Cb 0.00 0.42 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 1djm h LEU 69 CO -0.03 -0.38 -0.12 0.11 -0.34 0.00 0.00 178.44 177.69 1djm h LYS 70 N -0.50 0.00 0.36 1.25 1.57 -0.61 0.31 116.57 118.95 1djm h LYS 70 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1djm h LYS 70 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1djm h LYS 70 CO -0.22 0.12 -0.17 1.15 -0.57 0.00 0.00 179.45 179.76 1djm h THR 71 N 0.00 0.66 -0.34 -0.16 2.02 -0.67 -2.02 112.91 112.40 1djm h THR 71 Ca -0.00 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 1djm h THR 71 Cb 0.25 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1djm h THR 71 CO 0.02 0.03 0.16 0.40 0.37 0.00 0.00 175.52 176.50 1djm h ILE 72 N -0.57 1.16 0.00 3.11 2.04 -0.39 -2.02 117.51 120.84 1djm h ILE 72 Ca -0.05 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1djm h ILE 72 Cb 0.42 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1djm h ILE 72 CO 0.08 0.17 0.00 0.54 0.00 0.00 0.00 178.15 178.94 1djm n ARG 73 N -4.74 0.43 0.11 2.37 5.12 0.98 -1.80 116.66 119.12 1djm n ARG 73 Ca -0.01 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.04 1djm n ARG 73 Cb 0.11 -1.10 0.64 0.00 -1.16 0.00 0.00 32.46 30.94 1djm n ARG 73 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1djm h ALA 74 N 2.07 2.20 0.00 7.54 0.00 -0.59 -3.46 119.26 127.02 1djm h ALA 74 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1djm h ALA 74 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1djm h ALA 74 CO 0.00 -0.27 0.00 -0.25 0.00 0.00 0.00 179.25 178.73 1djm n ASP 75 N -4.46 0.00 -1.52 0.00 8.00 -1.26 -4.93 116.55 112.38 1djm n ASP 75 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1djm n ASP 75 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1djm n ASP 75 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1djm n GLY 76 N 0.00 2.39 0.63 0.44 0.00 -1.26 -3.77 105.19 103.62 1djm n GLY 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1djm n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djm n ALA 77 N 1.51 2.21 -1.57 4.61 0.00 -1.26 -5.07 120.51 120.94 1djm n ALA 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1djm n ALA 77 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1djm n ALA 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1djm n MET 78 N -1.47 0.00 0.21 0.00 2.81 -1.09 -4.90 117.12 112.68 1djm n MET 78 Ca 0.00 -0.65 0.18 0.00 -1.81 0.00 0.00 57.70 55.42 1djm n MET 78 Cb 0.00 -0.43 0.83 0.00 -0.71 0.00 0.00 33.22 32.91 1djm n MET 78 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1djm h SER 79 N 0.00 0.00 0.43 7.83 0.02 -1.47 0.35 113.55 120.71 1djm h SER 79 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1djm h SER 79 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1djm h SER 79 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1djm n ALA 80 N -2.22 1.62 -2.61 3.77 0.00 -1.26 -4.74 120.51 115.07 1djm n ALA 80 Ca 0.02 -0.05 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 1djm n ALA 80 Cb 0.41 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 1djm n ALA 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1djm s LEU 81 N -2.96 4.34 -0.89 0.00 1.43 0.11 -4.97 118.68 115.74 1djm s LEU 81 Ca 0.07 1.75 -0.25 0.00 -1.03 0.00 0.00 54.13 54.68 1djm s LEU 81 Cb 0.09 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.71 1djm s LEU 81 CO 0.24 -0.37 1.85 -2.16 0.23 0.00 0.00 176.35 176.14 1djm s PRO 82 N 1.27 2.73 -0.48 1.29 0.04 -1.26 -4.86 135.00 133.73 1djm s PRO 82 Ca 0.54 -0.34 -0.28 0.00 0.04 0.00 0.00 61.00 60.96 1djm s PRO 82 Cb -0.23 -5.04 0.01 0.00 0.04 0.00 0.00 34.50 29.28 1djm s PRO 82 CO 0.26 -3.13 1.40 0.14 0.04 0.00 0.00 177.00 175.72 1djm s VAL 83 N 9.16 3.86 -0.28 -0.36 -7.23 -1.26 -2.54 120.40 121.77 1djm s VAL 83 Ca 0.66 0.82 -0.04 0.00 -1.81 0.00 0.00 61.98 61.61 1djm s VAL 83 Cb -0.06 -4.32 0.02 0.00 0.56 0.00 0.00 36.38 32.58 1djm s VAL 83 CO -0.00 -0.95 0.00 -0.22 -0.31 0.00 0.00 175.10 173.63 1djm s LEU 84 N 5.70 3.57 -0.13 1.32 2.96 -0.26 -1.45 118.68 130.38 1djm s LEU 84 Ca 0.57 -0.90 -0.24 0.00 -0.22 0.00 0.00 54.13 53.34 1djm s LEU 84 Cb -0.12 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.79 1djm s LEU 84 CO 0.29 -0.18 0.76 -0.04 -1.32 0.00 0.00 176.35 175.87 1djm s MET 85 N 1.37 4.34 -0.41 1.98 -1.94 -0.72 -1.71 119.30 122.22 1djm s MET 85 Ca -0.00 0.93 0.01 0.00 -1.71 0.00 0.00 55.69 54.92 1djm s MET 85 Cb -0.17 -3.53 0.14 0.00 2.01 0.00 0.00 34.83 33.28 1djm s MET 85 CO -0.01 -0.18 0.25 0.08 -0.01 0.00 0.00 175.02 175.15 1djm s VAL 86 N 1.63 0.77 0.43 -6.03 1.01 0.24 -0.38 120.40 118.08 1djm s VAL 86 Ca 0.37 -2.24 0.04 0.00 0.00 0.00 0.00 61.98 60.15 1djm s VAL 86 Cb -0.17 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1djm s VAL 86 CO 0.15 -0.98 0.03 0.28 0.00 0.00 0.00 175.10 174.58 1djm s THR 87 N 0.58 1.37 -0.25 3.92 -1.32 -0.22 -4.01 115.64 115.71 1djm s THR 87 Ca 0.20 -2.00 0.21 0.00 -1.21 0.00 0.00 61.69 58.88 1djm s THR 87 Cb -0.20 -2.57 0.06 0.00 -1.51 0.00 0.00 72.50 68.28 1djm s THR 87 CO -0.02 0.00 1.18 0.00 -2.21 0.00 0.00 174.62 173.57 1djm h ALA 88 N 1.67 0.66 -1.84 11.08 0.00 -1.94 0.49 119.26 129.38 1djm h ALA 88 Ca -0.42 -0.21 -0.61 0.00 0.00 0.00 0.00 54.91 53.66 1djm h ALA 88 Cb 1.27 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.99 1djm h ALA 88 CO 0.73 0.25 0.56 -1.21 0.00 0.00 0.00 179.25 179.58 1djm s GLU 89 N -3.20 3.37 0.00 0.00 0.41 -1.26 -4.64 118.70 113.38 1djm s GLU 89 Ca 0.01 -0.18 0.08 0.00 -0.41 0.00 0.00 54.97 54.48 1djm s GLU 89 Cb 0.08 -4.02 0.33 0.00 -1.78 0.00 0.00 34.13 28.74 1djm s GLU 89 CO 0.76 -1.42 1.24 0.00 -0.49 0.00 0.00 175.26 175.35 1djm n ALA 90 N 7.38 2.50 -1.69 5.21 0.00 -1.26 -4.91 120.51 127.73 1djm n ALA 90 Ca 0.03 -0.28 -0.52 0.00 0.00 0.00 0.00 53.44 52.67 1djm n ALA 90 Cb 0.48 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 1djm n ALA 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1djm n LYS 91 N -0.10 1.72 -0.30 0.00 3.00 -1.26 -4.84 118.16 116.37 1djm n LYS 91 Ca 0.08 0.63 0.03 0.00 -0.00 0.00 0.00 58.31 59.04 1djm n LYS 91 Cb 0.14 -2.40 0.22 0.00 0.00 0.00 0.00 35.03 33.00 1djm n LYS 91 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1djm h LYS 92 N 7.96 1.05 -0.51 1.64 6.56 -1.99 0.14 116.57 131.40 1djm h LYS 92 Ca -0.47 -0.06 0.10 0.00 -1.06 0.00 0.00 60.65 59.15 1djm h LYS 92 Cb 1.29 -0.24 -0.03 0.00 -0.57 0.00 0.00 32.23 32.69 1djm h LYS 92 CO 0.94 0.69 0.35 0.93 -2.06 0.00 0.00 179.45 180.30 1djm h GLU 93 N 1.08 0.25 -0.07 3.15 5.08 -1.99 0.16 114.58 122.25 1djm h GLU 93 Ca 0.37 -0.02 -0.24 0.00 -1.00 0.00 0.00 59.36 58.48 1djm h GLU 93 Cb 0.11 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.32 1djm h GLU 93 CO -0.13 0.17 -0.91 -0.91 -1.00 0.00 0.00 179.01 176.23 1djm h ASN 94 N 0.26 0.90 -0.40 1.42 -0.26 -1.13 0.29 115.58 116.66 1djm h ASN 94 Ca 0.24 -0.65 0.04 0.00 -0.56 0.00 0.00 56.30 55.36 1djm h ASN 94 Cb 0.60 -0.27 -0.04 0.00 -1.06 0.00 0.00 38.32 37.55 1djm h ASN 94 CO -0.05 1.45 0.18 0.40 -1.06 0.00 0.00 177.43 178.35 1djm h ILE 95 N 0.45 0.94 0.18 2.81 5.03 -0.20 0.11 117.51 126.83 1djm h ILE 95 Ca -0.09 -0.12 0.01 0.00 -0.12 0.00 0.00 64.86 64.54 1djm h ILE 95 Cb 1.55 0.55 -0.04 0.00 -3.03 0.00 0.00 36.82 35.85 1djm h ILE 95 CO 0.18 0.07 -0.41 0.40 -0.68 0.00 0.00 178.15 177.71 1djm h ILE 96 N 0.36 0.17 -0.56 -0.67 5.03 -0.68 -1.28 117.51 119.89 1djm h ILE 96 Ca 0.17 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.97 1djm h ILE 96 Cb 0.11 0.17 -0.05 0.00 -3.03 0.00 0.00 36.82 34.02 1djm h ILE 96 CO -0.14 0.00 0.27 0.00 -0.68 0.00 0.00 178.15 177.60 1djm h ALA 97 N -0.22 0.72 -0.79 1.87 0.00 -0.38 0.49 119.26 120.96 1djm h ALA 97 Ca 0.01 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1djm h ALA 97 Cb 0.69 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1djm h ALA 97 CO -0.21 -0.09 0.48 0.00 0.00 0.00 0.00 179.25 179.44 1djm h ALA 98 N 1.32 1.01 0.00 0.00 0.00 -0.66 -0.47 119.26 120.45 1djm h ALA 98 Ca 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1djm h ALA 98 Cb 0.20 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1djm h ALA 98 CO -0.20 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.52 1djm h ALA 99 N 1.26 1.00 0.04 0.00 0.00 0.17 0.22 119.26 121.94 1djm h ALA 99 Ca 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1djm h ALA 99 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1djm h ALA 99 CO -0.05 0.00 -0.02 1.96 0.00 0.00 0.00 179.25 181.13 1djm h GLN 100 N 0.00 -0.06 -0.26 0.00 1.08 0.14 -3.29 115.11 112.72 1djm h GLN 100 Ca 0.00 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.12 1djm h GLN 100 Cb 0.54 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.97 1djm h GLN 100 CO 0.00 0.58 -0.21 0.00 -0.95 0.00 0.00 178.83 178.25 1djm h ALA 101 N 0.02 1.15 -2.19 3.87 0.00 -1.15 -3.48 119.26 117.46 1djm h ALA 101 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1djm h ALA 101 Cb 0.67 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1djm h ALA 101 CO 0.01 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.21 1djm n GLY 102 N -0.46 0.86 3.61 0.00 0.00 0.52 -4.99 105.19 104.73 1djm n GLY 102 Ca -0.00 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 1djm n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djm n ALA 103 N -1.10 -1.45 -0.21 4.61 0.00 0.20 -4.92 120.51 117.63 1djm n ALA 103 Ca 0.00 -0.73 -0.07 0.00 0.00 0.00 0.00 53.44 52.64 1djm n ALA 103 Cb 0.38 -2.13 0.03 0.00 0.00 0.00 0.00 19.45 17.73 1djm n ALA 103 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1djm h SER 104 N -2.10 0.78 -5.82 0.00 4.64 -1.58 -3.47 113.55 106.00 1djm h SER 104 Ca -0.48 -0.13 0.34 0.00 -0.47 0.00 0.00 61.79 61.05 1djm h SER 104 Cb 1.29 -0.20 -0.10 0.00 -0.31 0.00 0.00 62.40 63.07 1djm h SER 104 CO 0.43 0.69 0.87 -0.83 -0.87 0.00 0.00 176.83 177.12 1djm s GLY 105 N -3.04 -0.33 -0.03 -0.77 0.00 -1.25 -4.80 107.32 97.10 1djm s GLY 105 Ca -0.13 0.51 0.02 0.00 0.00 0.00 0.00 44.72 45.12 1djm s GLY 105 CO 0.78 1.94 -0.09 -0.47 0.00 0.00 0.00 173.10 175.26 1djm s TYR 106 N -2.24 0.99 0.03 1.90 5.04 -1.26 -1.75 117.35 120.06 1djm s TYR 106 Ca 0.19 -0.26 0.03 0.00 -2.44 0.00 0.00 57.07 54.59 1djm s TYR 106 Cb 0.03 -0.71 -0.02 0.00 0.35 0.00 0.00 41.96 41.61 1djm s TYR 106 CO -0.03 -0.11 -0.09 0.08 -1.34 0.00 0.00 175.55 174.06 1djm s VAL 107 N 0.24 0.65 0.25 3.14 1.01 0.49 -4.97 120.40 121.22 1djm s VAL 107 Ca -0.04 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.20 1djm s VAL 107 Cb -0.09 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.60 1djm s VAL 107 CO 0.01 -0.13 -0.05 -0.69 0.00 0.00 0.00 175.10 174.24 1djm s VAL 108 N -0.86 1.45 0.32 2.92 1.01 -1.26 -1.06 120.40 122.92 1djm s VAL 108 Ca -0.03 -2.10 -0.27 0.00 0.00 0.00 0.00 61.98 59.58 1djm s VAL 108 Cb -0.07 -2.36 -0.13 0.00 0.00 0.00 0.00 36.38 33.81 1djm s VAL 108 CO 0.00 -0.35 0.95 1.17 0.00 0.00 0.00 175.10 176.88 1djm n LYS 109 N -0.50 1.24 -1.79 2.72 4.81 0.16 -4.04 118.16 120.76 1djm n LYS 109 Ca -0.06 0.44 -0.29 0.00 -0.87 0.00 0.00 58.31 57.53 1djm n LYS 109 Cb 0.63 -1.82 0.14 0.00 0.02 0.00 0.00 35.03 34.00 1djm n LYS 109 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1djm s PRO 110 N -1.62 1.10 -0.26 1.64 0.04 -1.26 -5.00 135.00 129.63 1djm s PRO 110 Ca 0.60 -0.06 -0.30 0.00 0.04 0.00 0.00 61.00 61.27 1djm s PRO 110 Cb -0.67 -1.87 0.18 0.00 0.04 0.00 0.00 34.50 32.18 1djm s PRO 110 CO 0.59 -2.16 1.30 -0.59 0.04 0.00 0.00 177.00 176.18 1djm s PHE 111 N -3.60 -0.09 0.36 0.56 -0.71 -1.26 -5.10 117.98 108.14 1djm s PHE 111 Ca 0.67 0.14 -0.07 0.00 -1.04 0.00 0.00 56.93 56.63 1djm s PHE 111 Cb -0.09 0.49 0.03 0.00 -1.21 0.00 0.00 43.02 42.24 1djm s PHE 111 CO 0.52 -0.09 0.60 0.25 -1.34 0.00 0.00 175.22 175.16 1djm n THR 112 N 0.46 0.00 0.10 -4.49 -2.24 -1.26 -5.03 114.28 101.82 1djm n THR 112 Ca -0.01 -1.37 0.16 0.00 -2.27 0.00 0.00 64.05 60.56 1djm n THR 112 Cb 0.59 1.01 0.68 0.00 -2.10 0.00 0.00 70.33 70.50 1djm n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1djm h ALA 113 N 2.01 2.30 -0.85 6.98 0.00 -1.97 -0.83 119.26 126.89 1djm h ALA 113 Ca -0.29 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 54.81 1djm h ALA 113 Cb 1.16 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.86 1djm h ALA 113 CO 0.38 -0.42 0.33 0.00 0.00 0.00 0.00 179.25 179.53 1djm h ALA 114 N 1.82 1.29 0.00 0.00 0.00 -1.97 0.14 119.26 120.54 1djm h ALA 114 Ca 0.16 0.16 -0.34 0.00 0.00 0.00 0.00 54.91 54.89 1djm h ALA 114 Cb 0.66 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 1djm h ALA 114 CO -0.00 -0.33 -2.14 -2.37 0.00 0.00 0.00 179.25 174.40 1djm n THR 115 N -5.08 1.48 -0.05 0.00 5.66 -0.53 -3.78 114.28 111.98 1djm n THR 115 Ca 0.20 -0.82 -0.09 0.00 -3.05 0.00 0.00 64.05 60.29 1djm n THR 115 Cb 0.59 -0.75 -0.02 0.00 -1.55 0.00 0.00 70.33 68.60 1djm n THR 115 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1djm h LEU 116 N 0.00 0.05 -0.71 1.09 7.12 -0.78 0.38 115.31 122.47 1djm h LEU 116 Ca -0.45 0.03 -0.05 0.00 0.13 0.00 0.00 57.88 57.53 1djm h LEU 116 Cb 2.14 0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 42.27 1djm h LEU 116 CO 0.04 0.06 0.23 1.05 -0.13 0.00 0.00 178.44 179.69 1djm h GLU 117 N 0.16 1.09 -0.40 1.25 -0.00 -0.91 0.11 114.58 115.88 1djm h GLU 117 Ca 0.10 -0.23 -0.15 0.00 -0.00 0.00 0.00 59.36 59.08 1djm h GLU 117 Cb 0.08 -0.16 -0.01 0.00 -0.00 0.00 0.00 28.75 28.66 1djm h GLU 117 CO -0.11 0.94 -0.32 1.49 -0.00 0.00 0.00 179.01 181.01 1djm h GLU 118 N 1.04 0.93 -0.60 1.06 4.57 -1.61 -1.04 114.58 118.93 1djm h GLU 118 Ca 0.23 -0.46 -0.08 0.00 -1.18 0.00 0.00 59.36 57.87 1djm h GLU 118 Cb 0.29 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 1djm h GLU 118 CO -0.01 1.12 0.05 0.87 -1.18 0.00 0.00 179.01 179.86 1djm h LYS 119 N 0.75 1.02 -0.25 1.92 1.79 -0.48 0.04 116.57 121.35 1djm h LYS 119 Ca 0.07 -0.30 0.05 0.00 -2.18 0.00 0.00 60.65 58.29 1djm h LYS 119 Cb 0.91 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 31.41 1djm h LYS 119 CO 0.08 0.98 -0.04 -0.07 -1.08 0.00 0.00 179.45 179.33 1djm h LEU 120 N 0.92 -0.18 -1.03 2.94 3.38 -0.66 -1.79 115.31 118.89 1djm h LEU 120 Ca 0.17 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1djm h LEU 120 Cb 0.49 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1djm h LEU 120 CO 0.02 -0.06 0.39 -1.13 0.09 0.00 0.00 178.44 177.76 1djm h ASN 121 N 0.03 0.97 -0.03 -0.43 -1.24 -0.70 0.16 115.58 114.35 1djm h ASN 121 Ca 0.12 -0.09 0.03 0.00 0.71 0.00 0.00 56.30 57.07 1djm h ASN 121 Cb 0.17 -0.25 -0.04 0.00 0.73 0.00 0.00 38.32 38.94 1djm h ASN 121 CO -0.23 0.80 -0.17 0.11 -1.29 0.00 0.00 177.43 176.65 1djm h LYS 122 N 1.08 -0.26 0.00 6.67 1.57 -0.63 -0.93 116.57 124.08 1djm h LYS 122 Ca 0.27 0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 59.00 1djm h LYS 122 Cb 0.07 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1djm h LYS 122 CO -0.04 -0.17 -0.33 -0.84 -0.57 0.00 0.00 179.45 177.50 1djm h ILE 123 N -0.26 0.71 0.67 1.86 3.07 -0.78 0.17 117.51 122.96 1djm h ILE 123 Ca 0.06 -1.48 -0.03 0.00 1.55 0.00 0.00 64.86 64.97 1djm h ILE 123 Cb 0.35 1.96 -0.01 0.00 -0.27 0.00 0.00 36.82 38.85 1djm h ILE 123 CO -0.18 0.32 -0.48 -0.26 -1.05 0.00 0.00 178.15 176.49 1djm h PHE 124 N 0.00 -1.31 -0.27 0.16 0.04 -0.41 -1.16 116.94 114.00 1djm h PHE 124 Ca -0.00 -0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 1djm h PHE 124 Cb 0.94 0.48 -0.01 0.00 2.20 0.00 0.00 35.95 39.56 1djm h PHE 124 CO 0.00 -0.70 -0.21 0.93 -0.60 0.00 0.00 178.31 177.74 1djm h GLU 125 N -1.11 0.61 0.01 1.51 5.08 -1.00 -0.94 114.58 118.74 1djm h GLU 125 Ca -0.09 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1djm h GLU 125 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1djm h GLU 125 CO 0.04 0.89 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.72 1djm h LYS 126 N 0.33 -0.01 0.00 2.33 3.11 -0.72 -3.35 116.57 118.26 1djm h LYS 126 Ca 0.05 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 57.79 1djm h LYS 126 Cb 0.75 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.97 1djm h LYS 126 CO 0.05 -0.01 -0.50 -0.07 -2.81 0.00 0.00 179.45 176.12 1djm h LEU 127 N -0.02 0.00 -0.03 5.20 3.38 -1.39 -3.47 115.31 118.98 1djm h LEU 127 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1djm h LEU 127 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1djm h LEU 127 CO 0.00 0.50 0.00 0.61 0.09 0.00 0.00 178.44 179.64 1djm n GLY 128 N -0.00 1.15 0.00 0.83 0.00 -0.40 -5.05 105.19 101.71 1djm n GLY 128 Ca -0.01 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 45.62 1djm n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35