#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1djm n ALA 2 N 0.00 -1.37 -2.67 3.04 0.00 -1.26 -5.16 120.51 113.09 1djm n ALA 2 Ca 0.00 -1.32 -0.23 0.00 0.00 0.00 0.00 53.44 51.89 1djm n ALA 2 Cb 0.00 -1.45 -0.07 0.00 0.00 0.00 0.00 19.45 17.93 1djm n ALA 2 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1djm s ASP 3 N -1.39 4.68 0.27 0.00 1.11 -1.26 -5.02 116.67 115.06 1djm s ASP 3 Ca 0.27 -0.59 0.25 0.00 0.18 0.00 0.00 52.55 52.66 1djm s ASP 3 Cb 0.25 -0.92 0.89 0.00 1.07 0.00 0.00 42.92 44.21 1djm s ASP 3 CO -0.16 -0.01 1.75 0.07 1.18 0.00 0.00 175.17 178.01 1djm h LYS 4 N 1.83 0.00 -4.54 8.23 2.10 -2.07 -3.47 116.57 118.65 1djm h LYS 4 Ca -0.45 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 57.95 1djm h LYS 4 Cb 1.25 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.54 1djm h LYS 4 CO 0.60 0.00 -0.35 -1.91 -2.00 0.00 0.00 179.45 175.80 1djm n GLU 5 N -2.36 -2.70 -2.25 0.07 2.13 -1.26 -4.85 120.64 109.42 1djm n GLU 5 Ca 0.04 0.46 -0.41 0.00 0.66 0.00 0.00 57.16 57.91 1djm n GLU 5 Cb 0.35 -5.08 -0.03 0.00 0.27 0.00 0.00 31.44 26.95 1djm n GLU 5 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1djm s LEU 6 N -5.81 3.39 -0.06 4.31 0.20 -1.26 -4.96 118.68 114.49 1djm s LEU 6 Ca 0.13 0.45 -0.18 0.00 0.69 0.00 0.00 54.13 55.22 1djm s LEU 6 Cb -0.07 -3.00 -0.05 0.00 -0.43 0.00 0.00 46.19 42.64 1djm s LEU 6 CO 0.16 -1.86 0.50 -0.75 -0.29 0.00 0.00 176.35 174.12 1djm s LYS 7 N 5.87 4.25 -0.50 1.98 2.20 -1.26 -4.59 119.74 127.69 1djm s LYS 7 Ca 0.60 0.54 -0.21 0.00 -0.36 0.00 0.00 55.97 56.53 1djm s LYS 7 Cb -0.13 -3.36 0.04 0.00 -1.51 0.00 0.00 37.83 32.87 1djm s LYS 7 CO 0.25 0.34 0.75 -0.06 -0.36 0.00 0.00 175.35 176.26 1djm s PHE 8 N 0.01 2.96 0.24 4.03 0.40 -0.07 -1.71 117.98 123.84 1djm s PHE 8 Ca 0.27 -0.21 -0.30 0.00 -0.60 0.00 0.00 56.93 56.10 1djm s PHE 8 Cb -0.16 -3.68 -0.09 0.00 0.51 0.00 0.00 43.02 39.59 1djm s PHE 8 CO 0.13 -1.10 1.12 -1.17 0.70 0.00 0.00 175.22 174.90 1djm s LEU 9 N 3.15 4.52 -0.24 -0.37 2.96 -0.10 -0.18 118.68 128.42 1djm s LEU 9 Ca 0.23 2.22 -0.03 0.00 -0.22 0.00 0.00 54.13 56.33 1djm s LEU 9 Cb -0.15 -3.62 0.08 0.00 0.50 0.00 0.00 46.19 43.00 1djm s LEU 9 CO 0.17 -0.20 0.07 -0.69 -1.32 0.00 0.00 176.35 174.38 1djm s VAL 10 N -0.73 0.48 -0.71 1.68 1.01 -0.49 -0.99 120.40 120.64 1djm s VAL 10 Ca 0.47 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.67 1djm s VAL 10 Cb -0.31 -1.18 0.34 0.00 0.00 0.00 0.00 36.38 35.23 1djm s VAL 10 CO 0.39 -0.45 1.24 0.52 0.00 0.00 0.00 175.10 176.80 1djm n VAL 11 N 5.04 3.94 -2.85 2.92 0.31 0.27 -4.09 118.33 123.87 1djm n VAL 11 Ca -0.06 -5.64 -0.43 0.00 -0.01 0.00 0.00 64.34 58.20 1djm n VAL 11 Cb 0.45 -1.43 -0.04 0.00 -0.91 0.00 0.00 33.84 31.90 1djm n VAL 11 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1djm s ASP 12 N -2.81 6.44 0.21 4.52 1.01 -1.26 -1.69 116.67 123.09 1djm s ASP 12 Ca 0.46 -0.04 -0.09 0.00 0.71 0.00 0.00 52.55 53.60 1djm s ASP 12 Cb 0.26 -2.44 0.30 0.00 1.01 0.00 0.00 42.92 42.05 1djm s ASP 12 CO -0.15 -1.07 1.75 -0.78 0.21 0.00 0.00 175.17 175.13 1djm h ASP 13 N 9.12 0.28 -2.12 0.27 3.58 -1.92 -3.16 116.42 122.48 1djm h ASP 13 Ca -0.25 0.08 -0.51 0.00 0.42 0.00 0.00 57.03 56.77 1djm h ASP 13 Cb 1.08 0.04 -0.04 0.00 1.72 0.00 0.00 39.33 42.13 1djm h ASP 13 CO 1.03 0.16 1.32 0.12 -2.88 0.00 0.00 179.24 179.00 1djm s PHE 14 N -6.08 1.73 0.25 0.28 5.36 -1.26 -4.88 117.98 113.38 1djm s PHE 14 Ca -0.13 0.73 -0.04 0.00 -0.96 0.00 0.00 56.93 56.54 1djm s PHE 14 Cb 0.17 -4.12 0.43 0.00 -0.34 0.00 0.00 43.02 39.16 1djm s PHE 14 CO 0.75 -2.35 1.79 0.77 -1.46 0.00 0.00 175.22 174.72 1djm h SER 15 N 14.39 0.60 -0.39 6.13 0.02 -1.99 0.18 113.55 132.49 1djm h SER 15 Ca -0.27 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 60.75 1djm h SER 15 Cb 1.16 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 1djm h SER 15 CO 1.20 0.32 0.26 0.74 -1.14 0.00 0.00 176.83 178.21 1djm h THR 16 N 0.72 1.09 -0.29 -2.27 2.02 -1.89 0.04 112.91 112.32 1djm h THR 16 Ca 0.41 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 67.44 1djm h THR 16 Cb 0.45 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1djm h THR 16 CO -0.28 0.09 0.20 0.24 0.37 0.00 0.00 175.52 176.14 1djm h MET 17 N 0.51 0.28 -0.55 6.66 2.86 -0.95 -0.88 114.93 122.86 1djm h MET 17 Ca 0.15 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 1djm h MET 17 Cb -0.03 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 1djm h MET 17 CO -0.03 0.19 0.25 -0.09 1.06 0.00 0.00 176.91 178.29 1djm h ARG 18 N 0.29 0.80 -0.85 1.72 2.43 -0.97 0.22 114.38 118.02 1djm h ARG 18 Ca 0.12 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1djm h ARG 18 Cb 0.12 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 1djm h ARG 18 CO -0.02 0.67 0.56 0.00 -1.51 0.00 0.00 179.97 179.66 1djm h ARG 19 N 0.74 1.10 0.53 0.20 -0.00 -1.14 0.18 114.38 115.99 1djm h ARG 19 Ca 0.19 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.98 59.58 1djm h ARG 19 Cb 0.14 -0.25 -0.00 0.00 0.00 0.00 0.00 29.97 29.86 1djm h ARG 19 CO -0.02 0.73 -0.31 0.82 0.00 0.00 0.00 179.97 181.19 1djm h ILE 20 N 1.14 0.00 -0.76 2.04 5.03 -0.50 -1.39 117.51 123.07 1djm h ILE 20 Ca 0.32 0.00 0.10 0.00 -0.12 0.00 0.00 64.86 65.16 1djm h ILE 20 Cb -0.10 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 33.61 1djm h ILE 20 CO -0.08 0.00 0.39 0.58 -0.68 0.00 0.00 178.15 178.36 1djm h VAL 21 N -0.78 0.83 -0.30 1.67 2.07 -0.39 0.86 116.25 120.21 1djm h VAL 21 Ca -0.07 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.27 1djm h VAL 21 Cb 0.62 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1djm h VAL 21 CO 0.08 0.12 0.07 -0.09 0.02 0.00 0.00 177.57 177.77 1djm h ARG 22 N 0.63 0.18 -0.56 1.57 2.43 -0.66 0.13 114.38 118.11 1djm h ARG 22 Ca 0.38 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.53 1djm h ARG 22 Cb 0.42 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 1djm h ARG 22 CO -0.29 0.12 0.33 -0.97 -1.51 0.00 0.00 179.97 177.66 1djm h ASN 23 N 0.19 0.67 -0.62 -3.80 -0.73 0.11 -0.94 115.58 110.45 1djm h ASN 23 Ca 0.14 -0.06 -0.05 0.00 1.87 0.00 0.00 56.30 58.19 1djm h ASN 23 Cb 0.13 -0.17 -0.03 0.00 0.27 0.00 0.00 38.32 38.52 1djm h ASN 23 CO -0.16 0.54 0.20 -0.07 -0.37 0.00 0.00 177.43 177.56 1djm h LEU 24 N 0.75 0.93 0.79 0.34 3.38 -0.49 -1.15 115.31 119.86 1djm h LEU 24 Ca 0.20 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1djm h LEU 24 Cb -0.01 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.51 1djm h LEU 24 CO -0.04 0.87 -0.39 -0.07 0.09 0.00 0.00 178.44 178.90 1djm h LEU 25 N 0.96 -0.93 -1.40 1.67 3.38 -0.61 -3.28 115.31 115.10 1djm h LEU 25 Ca 0.21 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.30 1djm h LEU 25 Cb 0.28 0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 1djm h LEU 25 CO -0.01 -0.66 0.49 0.11 0.09 0.00 0.00 178.44 178.47 1djm h LYS 26 N -1.08 0.67 0.00 1.13 1.79 -0.62 0.81 116.57 119.28 1djm h LYS 26 Ca -0.11 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.30 1djm h LYS 26 Cb 0.83 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.33 1djm h LYS 26 CO 0.17 0.45 -0.08 1.05 -1.08 0.00 0.00 179.45 179.96 1djm h GLU 27 N 0.69 0.00 0.00 3.15 4.11 -1.29 -3.10 114.58 118.14 1djm h GLU 27 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.77 1djm h GLU 27 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1djm h GLU 27 CO -0.12 0.08 0.00 1.28 0.07 0.00 0.00 179.01 180.32 1djm n LEU 28 N -3.29 1.58 0.00 3.06 4.77 0.07 -5.11 117.00 118.08 1djm n LEU 28 Ca -0.01 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1djm n LEU 28 Cb 0.28 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1djm n LEU 28 CO 0.28 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 1djm n GLY 29 N 2.17 1.15 1.09 -0.72 0.00 -0.00 -5.12 105.19 103.76 1djm n GLY 29 Ca 0.00 -0.85 0.14 0.00 0.00 0.00 0.00 46.02 45.30 1djm n GLY 29 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1djm n PHE 30 N 0.00 -2.89 -1.25 1.61 3.72 -1.26 -3.52 117.46 113.86 1djm n PHE 30 Ca 0.00 1.56 0.00 0.00 -0.05 0.00 0.00 57.45 58.96 1djm n PHE 30 Cb 0.00 -2.63 0.00 0.00 -0.94 0.00 0.00 39.48 35.91 1djm n PHE 30 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1djm n ASN 31 N -3.81 0.00 -4.35 4.37 0.23 -1.26 -4.61 115.26 105.82 1djm n ASN 31 Ca -0.05 -0.69 -0.45 0.00 -0.53 0.00 0.00 54.58 52.85 1djm n ASN 31 Cb 0.51 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.17 1djm n ASN 31 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1djm s ASN 32 N 0.00 6.24 0.23 0.53 -0.87 -1.26 -5.03 114.94 114.78 1djm s ASN 32 Ca 0.00 -1.66 0.10 0.00 -1.57 0.00 0.00 52.86 49.73 1djm s ASN 32 Cb 0.00 -2.27 -0.05 0.00 -0.02 0.00 0.00 41.25 38.91 1djm s ASN 32 CO 0.00 -0.99 -0.19 0.68 -2.57 0.00 0.00 177.10 174.03 1djm s VAL 33 N 2.15 2.16 0.00 1.60 -7.23 -1.26 -0.89 120.40 116.93 1djm s VAL 33 Ca 0.10 -2.24 0.00 0.00 -1.81 0.00 0.00 61.98 58.03 1djm s VAL 33 Cb -0.24 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.55 1djm s VAL 33 CO 0.04 -0.41 0.00 -0.62 -0.31 0.00 0.00 175.10 173.79 1djm n GLU 34 N -0.32 0.00 -3.63 4.82 -0.58 0.74 -4.80 120.64 116.86 1djm n GLU 34 Ca -0.08 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.63 1djm n GLU 34 Cb 0.59 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.44 1djm n GLU 34 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1djm s GLU 35 N 1.45 0.10 0.11 3.49 2.12 -1.26 -1.39 118.70 123.32 1djm s GLU 35 Ca 0.00 -0.03 -0.00 0.00 0.36 0.00 0.00 54.97 55.29 1djm s GLU 35 Cb 0.00 0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.40 1djm s GLU 35 CO 0.00 -0.04 0.00 0.00 -0.54 0.00 0.00 175.26 174.68 1djm s ALA 36 N -2.05 0.85 0.36 6.30 0.00 -1.26 -4.86 121.76 121.10 1djm s ALA 36 Ca 0.11 -1.40 0.10 0.00 0.00 0.00 0.00 51.96 50.77 1djm s ALA 36 Cb -0.01 0.54 0.68 0.00 0.00 0.00 0.00 23.12 24.33 1djm s ALA 36 CO -0.03 -0.39 1.84 0.93 0.00 0.00 0.00 175.76 178.10 1djm h GLU 37 N 2.94 0.17 -2.29 0.00 4.39 -1.96 -3.45 114.58 114.38 1djm h GLU 37 Ca -0.35 -0.06 0.19 0.00 0.34 0.00 0.00 59.36 59.48 1djm h GLU 37 Cb 1.18 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.74 1djm h GLU 37 CO 0.63 0.44 0.53 0.16 -1.16 0.00 0.00 179.01 179.60 1djm s ASP 38 N -6.90 -0.14 0.34 1.42 -4.77 -1.26 -4.97 116.67 100.40 1djm s ASP 38 Ca -0.04 -0.43 0.04 0.00 -3.30 0.00 0.00 52.55 48.82 1djm s ASP 38 Cb 0.15 0.46 0.66 0.00 -1.09 0.00 0.00 42.92 43.10 1djm s ASP 38 CO 0.74 -0.87 1.94 1.23 0.70 0.00 0.00 175.17 178.91 1djm h GLY 39 N 2.00 1.09 0.98 2.12 0.00 -1.88 0.23 103.07 107.62 1djm h GLY 39 Ca -0.25 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 46.70 1djm h GLY 39 CO 0.27 0.25 0.19 -2.08 0.00 0.00 0.00 176.54 175.18 1djm h VAL 40 N 0.85 1.23 0.00 4.60 2.07 -1.93 0.13 116.25 123.20 1djm h VAL 40 Ca 0.34 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 1djm h VAL 40 Cb 0.24 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1djm h VAL 40 CO -0.12 0.28 -0.17 -0.78 0.02 0.00 0.00 177.57 176.80 1djm h ASP 41 N 0.75 0.00 -0.17 0.57 3.58 -1.77 -1.70 116.42 117.69 1djm h ASP 41 Ca 0.18 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.61 1djm h ASP 41 Cb 0.24 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1djm h ASP 41 CO -0.01 0.17 0.04 0.00 -2.88 0.00 0.00 179.24 176.56 1djm h ALA 42 N 1.83 0.22 -0.91 -0.78 0.00 0.98 0.17 119.26 120.77 1djm h ALA 42 Ca -0.00 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.85 1djm h ALA 42 Cb 0.33 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 1djm h ALA 42 CO 0.02 -0.14 0.56 1.25 0.00 0.00 0.00 179.25 180.94 1djm h LEU 43 N 0.07 0.83 -0.50 0.00 5.85 -0.53 0.26 115.31 121.30 1djm h LEU 43 Ca 0.05 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1djm h LEU 43 Cb 0.27 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1djm h LEU 43 CO 0.00 0.49 0.23 -1.13 -0.34 0.00 0.00 178.44 177.68 1djm h ASN 44 N 0.94 0.66 -0.68 1.25 -0.73 -0.95 -1.77 115.58 114.30 1djm h ASN 44 Ca 0.43 -0.14 -0.06 0.00 1.87 0.00 0.00 56.30 58.40 1djm h ASN 44 Cb 0.33 -0.17 -0.03 0.00 0.27 0.00 0.00 38.32 38.72 1djm h ASN 44 CO -0.23 0.62 0.21 0.11 -0.37 0.00 0.00 177.43 177.77 1djm h LYS 45 N 0.66 1.08 0.06 6.67 6.56 0.44 -2.68 116.57 129.36 1djm h LYS 45 Ca 0.17 -0.23 0.01 0.00 -1.06 0.00 0.00 60.65 59.53 1djm h LYS 45 Cb 0.14 -0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 31.64 1djm h LYS 45 CO -0.02 0.93 -0.08 -0.07 -2.06 0.00 0.00 179.45 178.15 1djm h LEU 46 N 1.04 -0.20 0.00 2.94 -0.00 -0.21 -0.72 115.31 118.15 1djm h LEU 46 Ca 0.23 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.13 1djm h LEU 46 Cb 0.30 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.04 1djm h LEU 46 CO -0.01 -0.12 0.00 0.00 -0.00 0.00 0.00 178.44 178.32 1djm n GLN 47 N -5.19 0.42 -0.04 1.13 6.02 -0.69 -2.51 117.38 116.52 1djm n GLN 47 Ca -0.07 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.05 1djm n GLN 47 Cb 0.12 -1.34 0.33 0.00 1.02 0.00 0.00 30.24 30.36 1djm n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1djm n ALA 48 N -0.84 2.51 0.00 -1.58 0.00 -0.28 -4.99 120.51 115.33 1djm n ALA 48 Ca 0.07 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1djm n ALA 48 Cb 0.03 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 1.26 -2.30 0.00 0.00 0.00 -1.04 -5.09 105.19 98.02 1djm n GLY 49 Ca 0.17 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.95 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 -1.64 3.89 -0.02 0.00 -1.25 -5.11 105.19 101.06 1djm n GLY 50 Ca 0.00 0.84 -0.30 0.00 0.00 0.00 0.00 46.02 46.56 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 0.00 3.46 -0.05 1.61 1.51 -1.26 -4.74 117.35 117.88 1djm s TYR 51 Ca 0.00 0.80 0.22 0.00 -1.01 0.00 0.00 57.07 57.07 1djm s TYR 51 Cb 0.00 -2.23 -0.32 0.00 -0.11 0.00 0.00 41.96 39.30 1djm s TYR 51 CO 0.00 0.12 0.45 0.41 -1.11 0.00 0.00 175.55 175.42 1djm n GLY 52 N -0.88 -1.01 3.12 0.71 0.00 -0.69 -4.97 105.19 101.46 1djm n GLY 52 Ca -0.00 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.42 -0.01 -0.42 1.61 0.40 -1.20 -4.70 117.98 110.25 1djm s PHE 53 Ca -0.08 -0.03 0.09 0.00 -0.60 0.00 0.00 56.93 56.31 1djm s PHE 53 Cb 0.13 -0.02 0.27 0.00 0.51 0.00 0.00 43.02 43.91 1djm s PHE 53 CO 0.90 -0.28 0.60 0.28 0.70 0.00 0.00 175.22 177.42 1djm n VAL 54 N 1.58 -0.14 -2.57 -0.44 0.31 -1.00 -0.92 118.33 115.15 1djm n VAL 54 Ca -0.22 -4.31 -0.37 0.00 -0.01 0.00 0.00 64.34 59.43 1djm n VAL 54 Cb 0.56 -1.59 -0.05 0.00 -0.91 0.00 0.00 33.84 31.85 1djm n VAL 54 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1djm s ILE 55 N -1.69 3.76 0.02 2.52 1.01 -0.17 -2.27 121.20 124.39 1djm s ILE 55 Ca 0.37 1.46 -0.20 0.00 0.00 0.00 0.00 60.65 62.28 1djm s ILE 55 Cb 0.21 -3.81 0.04 0.00 0.01 0.00 0.00 42.46 38.91 1djm s ILE 55 CO -0.09 0.12 0.45 -0.94 0.00 0.00 0.00 174.94 174.48 1djm s SER 56 N -1.41 -0.35 0.49 3.58 1.04 -0.45 -0.57 113.70 116.03 1djm s SER 56 Ca 0.53 0.15 -0.20 0.00 0.48 0.00 0.00 55.95 56.91 1djm s SER 56 Cb -0.24 0.44 -0.08 0.00 0.10 0.00 0.00 66.02 66.24 1djm s SER 56 CO 0.30 -0.63 1.05 -0.62 0.98 0.00 0.00 173.24 174.32 1djm s ASP 57 N -1.78 6.25 0.05 7.02 -1.08 -0.68 -0.70 116.67 125.75 1djm s ASP 57 Ca -0.07 1.97 -0.34 0.00 -0.52 0.00 0.00 52.55 53.58 1djm s ASP 57 Cb -0.01 -2.56 -0.19 0.00 -1.46 0.00 0.00 42.92 38.69 1djm s ASP 57 CO 0.01 -0.85 1.50 -0.25 0.52 0.00 0.00 175.17 176.10 1djm h TRP 58 N 1.51 -1.04 0.00 -5.34 2.91 -1.92 -3.37 115.95 108.70 1djm h TRP 58 Ca -0.50 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.50 1djm h TRP 58 Cb 1.23 0.35 0.00 0.00 -0.51 0.00 0.00 29.16 30.22 1djm h TRP 58 CO 0.56 -0.64 0.00 0.27 -1.03 0.00 0.00 178.44 177.60 1djm n ASN 59 N -5.56 2.17 -4.67 2.65 2.04 -1.26 -1.71 115.26 108.92 1djm n ASN 59 Ca -0.15 -1.99 -0.31 0.00 -0.44 0.00 0.00 54.58 51.68 1djm n ASN 59 Cb 0.45 -0.50 0.16 0.00 -2.53 0.00 0.00 39.78 37.37 1djm n ASN 59 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1djm s MET 60 N -0.41 1.07 0.00 -3.83 0.23 -1.26 -4.98 119.30 110.12 1djm s MET 60 Ca 0.00 1.60 0.00 0.00 -1.03 0.00 0.00 55.69 56.26 1djm s MET 60 Cb 0.00 -1.73 0.00 0.00 -1.53 0.00 0.00 34.83 31.57 1djm s MET 60 CO 0.00 -2.61 0.00 -0.35 -2.03 0.00 0.00 175.02 170.03 1djm n PRO 61 N -4.12 -0.50 0.00 3.16 -0.04 -1.26 -4.54 135.00 127.70 1djm n PRO 61 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1djm n PRO 61 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 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 -2.34 0.00 -4.55 3.54 4.13 -1.26 -3.49 115.26 111.29 1djm n ASN 62 Ca 0.00 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 55.94 1djm n ASN 62 Cb 0.00 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.20 1djm n ASN 62 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 1djm s MET 63 N 0.00 2.40 1.19 3.52 -1.94 -1.26 -4.97 119.30 118.23 1djm s MET 63 Ca 0.00 0.52 -0.18 0.00 -1.71 0.00 0.00 55.69 54.32 1djm s MET 63 Cb 0.00 -4.64 0.22 0.00 2.01 0.00 0.00 34.83 32.42 1djm s MET 63 CO 0.00 -3.18 0.46 -0.40 -0.01 0.00 0.00 175.02 171.88 1djm n ASP 64 N 14.29 -2.82 0.12 3.03 5.68 -1.23 -4.00 116.55 131.63 1djm n ASP 64 Ca 0.31 -0.37 0.15 0.00 -0.50 0.00 0.00 54.79 54.38 1djm n ASP 64 Cb 0.50 -0.97 0.68 0.00 -1.14 0.00 0.00 41.12 40.19 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 -2.70 0.00 0.95 6.12 0.00 -1.49 0.11 103.07 106.06 1djm h GLY 65 Ca -0.46 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.74 1djm h GLY 65 CO 0.32 0.00 -0.38 -2.00 0.00 0.00 0.00 176.54 174.49 1djm h LEU 66 N 0.00 0.72 -0.50 3.11 7.12 -1.89 -1.78 115.31 122.09 1djm h LEU 66 Ca 0.13 -0.53 -0.13 0.00 0.13 0.00 0.00 57.88 57.49 1djm h LEU 66 Cb 0.55 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.46 1djm h LEU 66 CO -0.00 1.11 -0.18 -0.33 -0.13 0.00 0.00 178.44 178.90 1djm h GLU 67 N 0.35 1.01 -0.01 1.25 4.39 -1.15 -0.31 114.58 120.12 1djm h GLU 67 Ca 0.02 -0.42 0.03 0.00 0.34 0.00 0.00 59.36 59.33 1djm h GLU 67 Cb 0.97 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.53 1djm h GLU 67 CO 0.09 1.10 -0.31 1.25 -1.16 0.00 0.00 179.01 179.98 1djm h LEU 68 N 0.87 -0.92 -0.16 1.33 5.85 -0.99 0.72 115.31 122.02 1djm h LEU 68 Ca 0.12 0.12 0.05 0.00 0.84 0.00 0.00 57.88 59.01 1djm h LEU 68 Cb 0.76 0.37 -0.07 0.00 0.37 0.00 0.00 40.66 42.10 1djm h LEU 68 CO 0.06 -0.37 -0.38 0.25 -0.34 0.00 0.00 178.44 177.66 1djm h LEU 69 N -0.45 -1.20 -0.79 2.25 5.85 -1.06 0.49 115.31 120.39 1djm h LEU 69 Ca 0.06 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1djm h LEU 69 Cb 0.54 0.50 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 1djm h LEU 69 CO -0.26 -0.40 0.47 0.11 -0.34 0.00 0.00 178.44 178.02 1djm h LYS 70 N -0.44 1.09 0.01 1.25 1.57 -0.80 0.23 116.57 119.47 1djm h LYS 70 Ca 0.09 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1djm h LYS 70 Cb 0.60 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1djm h LYS 70 CO -0.40 0.78 -0.10 1.15 -0.57 0.00 0.00 179.45 180.31 1djm h THR 71 N 1.09 0.75 -0.52 -0.16 2.02 -0.38 -1.65 112.91 114.07 1djm h THR 71 Ca 0.28 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.49 1djm h THR 71 Cb -0.02 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 1djm h THR 71 CO -0.05 0.00 0.31 0.40 0.37 0.00 0.00 175.52 176.55 1djm h ILE 72 N -0.17 1.04 0.00 3.11 2.04 -0.36 -2.86 117.51 120.30 1djm h ILE 72 Ca 0.03 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 1djm h ILE 72 Cb 0.22 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1djm h ILE 72 CO -0.09 0.11 -0.09 -0.09 0.00 0.00 0.00 178.15 177.98 1djm h ARG 73 N 0.61 0.00 -0.20 2.37 9.65 -0.00 -3.27 114.38 123.53 1djm h ARG 73 Ca 0.21 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.09 1djm h ARG 73 Cb 0.04 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 1djm h ARG 73 CO -0.10 0.09 0.00 0.00 2.80 0.00 0.00 179.97 182.76 1djm n ALA 74 N -2.40 1.84 0.00 2.80 0.00 -0.67 -4.44 120.51 117.63 1djm n ALA 74 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1djm n ALA 74 Cb 0.18 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1djm n ALA 74 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1djm n ASP 75 N -0.16 0.00 0.00 0.00 8.00 -1.23 -5.04 116.55 118.12 1djm n ASP 75 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1djm n ASP 75 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 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 0.14 2.29 0.44 0.00 -1.26 -0.33 105.19 106.47 1djm n GLY 76 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 1.00 -0.48 0.33 4.61 0.00 -1.26 -4.84 120.51 119.86 1djm n ALA 77 Ca 0.00 0.18 0.03 0.00 0.00 0.00 0.00 53.44 53.66 1djm n ALA 77 Cb 0.18 -1.65 -0.03 0.00 0.00 0.00 0.00 19.45 17.95 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 -2.44 4.33 -0.30 0.00 2.81 0.55 -4.71 117.12 117.37 1djm n MET 78 Ca -0.17 -0.08 0.14 0.00 -1.81 0.00 0.00 57.70 55.79 1djm n MET 78 Cb 0.57 -0.85 0.39 0.00 -0.71 0.00 0.00 33.22 32.62 1djm n MET 78 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1djm h SER 79 N 0.13 0.64 0.82 7.83 4.64 -1.41 -0.35 113.55 125.86 1djm h SER 79 Ca 0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1djm h SER 79 Cb 0.18 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1djm h SER 79 CO 0.00 0.27 0.00 0.00 -0.87 0.00 0.00 176.83 176.23 1djm h ALA 80 N 1.61 1.00 -2.28 5.18 0.00 -1.89 -3.45 119.26 119.44 1djm h ALA 80 Ca 0.51 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.83 1djm h ALA 80 Cb 0.93 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.84 1djm h ALA 80 CO -0.27 0.00 0.25 1.28 0.00 0.00 0.00 179.25 180.51 1djm n LEU 81 N -2.41 2.56 -4.02 0.00 4.77 -0.14 -4.85 117.00 112.91 1djm n LEU 81 Ca 0.02 1.14 -0.39 0.00 -0.03 0.00 0.00 56.01 56.75 1djm n LEU 81 Cb 0.25 -1.37 -0.04 0.00 -2.33 0.00 0.00 43.42 39.94 1djm n LEU 81 CO 0.22 -1.16 2.02 -0.81 -1.33 0.00 0.00 177.39 176.33 1djm n PRO 82 N 0.49 1.96 -2.16 3.23 -0.04 -1.26 -4.67 135.00 132.55 1djm n PRO 82 Ca 0.08 -2.32 -0.43 0.00 -0.04 0.00 0.00 63.50 60.80 1djm n PRO 82 Cb 0.35 -3.27 -0.02 0.00 -0.04 0.00 0.00 33.50 30.52 1djm n PRO 82 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1djm s VAL 83 N 6.27 3.78 -0.22 0.52 -7.23 -1.26 -2.38 120.40 119.88 1djm s VAL 83 Ca 0.58 0.90 0.01 0.00 -1.81 0.00 0.00 61.98 61.66 1djm s VAL 83 Cb 0.09 -3.74 0.05 0.00 0.56 0.00 0.00 36.38 33.34 1djm s VAL 83 CO 0.09 -0.26 -0.08 -0.22 -0.31 0.00 0.00 175.10 174.32 1djm s LEU 84 N 4.76 2.55 0.02 1.32 2.96 -0.96 -1.08 118.68 128.24 1djm s LEU 84 Ca 0.68 -1.09 -0.30 0.00 -0.22 0.00 0.00 54.13 53.20 1djm s LEU 84 Cb -0.25 -1.23 -0.05 0.00 0.50 0.00 0.00 46.19 45.16 1djm s LEU 84 CO 0.27 -0.20 1.18 -0.04 -1.32 0.00 0.00 176.35 176.24 1djm s MET 85 N 1.37 4.42 -0.29 1.98 -1.94 -0.70 -1.34 119.30 122.79 1djm s MET 85 Ca -0.04 1.71 -0.02 0.00 -1.71 0.00 0.00 55.69 55.62 1djm s MET 85 Cb -0.18 -3.43 0.09 0.00 2.01 0.00 0.00 34.83 33.32 1djm s MET 85 CO -0.07 -0.30 0.09 0.08 -0.01 0.00 0.00 175.02 174.81 1djm s VAL 86 N 1.46 0.66 0.20 -6.03 1.01 0.12 -0.51 120.40 117.31 1djm s VAL 86 Ca 0.57 -1.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 1djm s VAL 86 Cb -0.27 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1djm s VAL 86 CO 0.27 -0.60 0.17 0.28 0.00 0.00 0.00 175.10 175.21 1djm s THR 87 N 1.74 0.00 -0.54 3.92 -1.32 -1.05 -3.86 115.64 114.53 1djm s THR 87 Ca 0.08 -1.92 0.24 0.00 -1.21 0.00 0.00 61.69 58.87 1djm s THR 87 Cb -0.17 -2.45 0.19 0.00 -1.51 0.00 0.00 72.50 68.56 1djm s THR 87 CO -0.24 -0.01 1.48 0.00 -2.21 0.00 0.00 174.62 173.63 1djm h ALA 88 N 2.58 0.80 -1.54 11.08 0.00 -1.93 -0.50 119.26 129.74 1djm h ALA 88 Ca -0.35 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.01 1djm h ALA 88 Cb 1.25 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 1djm h ALA 88 CO 0.51 0.00 0.96 -1.21 0.00 0.00 0.00 179.25 179.51 1djm s GLU 89 N -3.20 3.40 -0.02 0.00 2.02 -1.26 -4.49 118.70 115.15 1djm s GLU 89 Ca 0.06 0.05 0.03 0.00 0.02 0.00 0.00 54.97 55.13 1djm s GLU 89 Cb 0.10 -4.07 0.11 0.00 0.10 0.00 0.00 34.13 30.37 1djm s GLU 89 CO 0.69 -1.80 0.84 0.00 0.02 0.00 0.00 175.26 175.00 1djm n ALA 90 N 8.62 2.62 -1.56 5.21 0.00 -1.26 -4.91 120.51 129.22 1djm n ALA 90 Ca 0.06 -0.24 -0.45 0.00 0.00 0.00 0.00 53.44 52.81 1djm n ALA 90 Cb 0.49 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.02 1.76 -0.16 0.00 3.00 -1.26 -4.85 118.16 116.63 1djm n LYS 91 Ca 0.04 0.48 -0.02 0.00 -0.00 0.00 0.00 58.31 58.81 1djm n LYS 91 Cb 0.27 -3.06 0.07 0.00 0.00 0.00 0.00 35.03 32.31 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 14.45 0.19 -0.78 1.64 6.56 -1.99 0.22 116.57 136.85 1djm h LYS 92 Ca -0.38 -0.01 0.18 0.00 -1.06 0.00 0.00 60.65 59.38 1djm h LYS 92 Cb 1.26 -0.04 -0.05 0.00 -0.57 0.00 0.00 32.23 32.83 1djm h LYS 92 CO 0.97 0.12 0.53 1.49 -2.06 0.00 0.00 179.45 180.51 1djm h GLU 93 N 0.19 0.27 0.01 3.15 4.81 -1.99 0.11 114.58 121.13 1djm h GLU 93 Ca 0.26 -0.02 -0.25 0.00 -0.13 0.00 0.00 59.36 59.22 1djm h GLU 93 Cb 0.37 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 1djm h GLU 93 CO -0.37 0.18 -1.32 -0.91 -0.73 0.00 0.00 179.01 175.86 1djm h ASN 94 N 0.28 0.04 -0.66 1.04 2.35 -1.38 0.12 115.58 117.36 1djm h ASN 94 Ca 0.39 -0.05 0.07 0.00 -0.55 0.00 0.00 56.30 56.15 1djm h ASN 94 Cb 1.09 -0.01 -0.06 0.00 0.05 0.00 0.00 38.32 39.39 1djm h ASN 94 CO -0.10 1.04 0.35 0.40 -1.65 0.00 0.00 177.43 177.48 1djm h ILE 95 N 0.01 0.93 0.42 2.81 5.03 -0.11 -0.65 117.51 125.95 1djm h ILE 95 Ca -0.14 -0.22 -0.02 0.00 -0.12 0.00 0.00 64.86 64.36 1djm h ILE 95 Cb 1.89 0.24 0.00 0.00 -3.03 0.00 0.00 36.82 35.92 1djm h ILE 95 CO 0.11 0.12 -0.20 0.40 -0.68 0.00 0.00 178.15 177.90 1djm h ILE 96 N 0.64 0.59 -0.87 -0.67 5.03 -0.58 -0.91 117.51 120.74 1djm h ILE 96 Ca 0.30 -0.13 0.15 0.00 -0.12 0.00 0.00 64.86 65.06 1djm h ILE 96 Cb 0.23 0.66 -0.09 0.00 -3.03 0.00 0.00 36.82 34.59 1djm h ILE 96 CO -0.20 0.03 0.46 0.00 -0.68 0.00 0.00 178.15 177.76 1djm h ALA 97 N -0.07 1.32 0.17 1.87 0.00 -0.56 0.26 119.26 122.25 1djm h ALA 97 Ca -0.06 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1djm h ALA 97 Cb 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1djm h ALA 97 CO 0.09 -0.06 -0.08 0.00 0.00 0.00 0.00 179.25 179.20 1djm h ALA 98 N 1.56 -0.23 -0.44 0.00 0.00 -1.02 -0.09 119.26 119.04 1djm h ALA 98 Ca 0.47 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.31 1djm h ALA 98 Cb 0.65 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1djm h ALA 98 CO -0.35 -0.57 0.23 0.00 0.00 0.00 0.00 179.25 178.55 1djm h ALA 99 N 0.44 0.55 -0.08 0.00 0.00 0.30 0.18 119.26 120.66 1djm h ALA 99 Ca -0.02 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1djm h ALA 99 Cb 0.28 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1djm h ALA 99 CO 0.04 -0.12 -0.06 1.96 0.00 0.00 0.00 179.25 181.06 1djm h GLN 100 N 0.45 -0.07 0.00 0.00 1.08 -0.52 -2.02 115.11 114.03 1djm h GLN 100 Ca 0.19 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 1djm h GLN 100 Cb 0.08 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1djm h GLN 100 CO -0.12 -0.05 0.00 0.00 -0.95 0.00 0.00 178.83 177.71 1djm h ALA 101 N 0.99 1.00 0.00 3.87 0.00 -0.66 -3.46 119.26 120.99 1djm h ALA 101 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1djm h ALA 101 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1djm h ALA 101 CO -0.12 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.54 1djm n GLY 102 N -0.45 1.28 3.77 0.00 0.00 -0.29 -4.87 105.19 104.64 1djm n GLY 102 Ca -0.00 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.99 2.33 0.31 4.61 0.00 0.49 -4.88 120.51 122.39 1djm n ALA 103 Ca 0.00 0.33 0.17 0.00 0.00 0.00 0.00 53.44 53.93 1djm n ALA 103 Cb 0.13 -2.42 0.72 0.00 0.00 0.00 0.00 19.45 17.88 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 2.84 0.00 0.00 0.00 4.64 -1.37 -3.44 113.55 116.22 1djm h SER 104 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1djm h SER 104 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1djm h SER 104 CO 0.63 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.20 1djm n GLY 105 N -0.17 0.12 2.68 -0.77 0.00 -1.25 -4.81 105.19 100.99 1djm n GLY 105 Ca 0.00 -0.99 -0.22 0.00 0.00 0.00 0.00 46.02 44.81 1djm n GLY 105 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1djm s TYR 106 N -2.00 -0.10 0.26 1.61 6.14 -1.26 -1.73 117.35 120.28 1djm s TYR 106 Ca 0.00 -0.24 -0.22 0.00 0.64 0.00 0.00 57.07 57.25 1djm s TYR 106 Cb 0.00 -0.58 -0.09 0.00 0.42 0.00 0.00 41.96 41.72 1djm s TYR 106 CO 0.00 -0.73 0.80 0.08 0.64 0.00 0.00 175.55 176.34 1djm s VAL 107 N 2.25 4.45 0.02 3.14 1.01 0.34 -5.00 120.40 126.61 1djm s VAL 107 Ca 0.07 1.45 0.05 0.00 0.00 0.00 0.00 61.98 63.55 1djm s VAL 107 Cb -0.15 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 1djm s VAL 107 CO -0.23 0.15 -0.16 -0.69 0.00 0.00 0.00 175.10 174.16 1djm s VAL 108 N -1.59 1.29 0.68 2.92 1.01 -1.26 -2.54 120.40 120.91 1djm s VAL 108 Ca 0.46 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 1djm s VAL 108 Cb -0.17 -1.12 0.01 0.00 0.00 0.00 0.00 36.38 35.10 1djm s VAL 108 CO 0.21 0.19 1.27 -0.75 0.00 0.00 0.00 175.10 176.03 1djm s LYS 109 N -0.84 2.39 1.13 2.72 2.20 -0.20 -4.34 119.74 122.81 1djm s LYS 109 Ca 0.05 1.99 -0.16 0.00 -0.36 0.00 0.00 55.97 57.49 1djm s LYS 109 Cb -0.07 -1.84 0.25 0.00 -1.51 0.00 0.00 37.83 34.67 1djm s LYS 109 CO 0.01 -1.70 1.07 -1.25 -0.36 0.00 0.00 175.35 173.12 1djm s PRO 110 N -3.53 -0.67 -0.28 4.03 0.04 -1.26 -4.98 135.00 128.35 1djm s PRO 110 Ca 0.80 0.31 -0.28 0.00 0.04 0.00 0.00 61.00 61.88 1djm s PRO 110 Cb -0.35 -1.63 0.19 0.00 0.04 0.00 0.00 34.50 32.75 1djm s PRO 110 CO 0.41 -3.42 1.36 -0.59 0.04 0.00 0.00 177.00 174.80 1djm s PHE 111 N -2.85 -0.07 0.24 0.56 -0.12 -1.26 -5.11 117.98 109.36 1djm s PHE 111 Ca 0.68 0.15 -0.02 0.00 -0.05 0.00 0.00 56.93 57.69 1djm s PHE 111 Cb -0.16 0.49 0.01 0.00 -0.63 0.00 0.00 43.02 42.72 1djm s PHE 111 CO 0.58 -0.06 0.35 0.25 -0.05 0.00 0.00 175.22 176.29 1djm n THR 112 N 0.90 0.00 0.27 -4.49 -2.24 -1.26 -5.03 114.28 102.42 1djm n THR 112 Ca -0.04 -1.16 0.11 0.00 -2.27 0.00 0.00 64.05 60.68 1djm n THR 112 Cb 0.58 0.74 0.72 0.00 -2.10 0.00 0.00 70.33 70.27 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 1.85 1.65 -0.50 6.98 0.00 -1.98 -1.31 119.26 125.96 1djm h ALA 113 Ca -0.19 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.79 1djm h ALA 113 Cb 0.81 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1djm h ALA 113 CO 0.25 0.07 0.35 0.00 0.00 0.00 0.00 179.25 179.93 1djm h ALA 114 N 1.94 2.30 0.00 0.00 0.00 -1.96 0.41 119.26 121.96 1djm h ALA 114 Ca -0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.58 1djm h ALA 114 Cb 0.13 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1djm h ALA 114 CO 0.01 -0.43 -2.30 -2.37 0.00 0.00 0.00 179.25 174.15 1djm n THR 115 N -4.43 1.20 0.13 0.00 5.66 -0.61 -3.85 114.28 112.39 1djm n THR 115 Ca 0.09 -0.79 -0.13 0.00 -3.05 0.00 0.00 64.05 60.16 1djm n THR 115 Cb 0.48 -0.43 -0.06 0.00 -1.55 0.00 0.00 70.33 68.78 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 -0.78 -1.66 1.09 7.12 -0.79 -1.57 115.31 118.71 1djm h LEU 116 Ca -0.48 0.09 -0.04 0.00 0.13 0.00 0.00 57.88 57.58 1djm h LEU 116 Cb 2.08 0.29 -0.01 0.00 -0.53 0.00 0.00 40.66 42.50 1djm h LEU 116 CO 0.03 -0.37 -0.17 1.05 -0.13 0.00 0.00 178.44 178.84 1djm h GLU 117 N -0.51 0.00 0.31 1.25 -0.00 -1.13 -1.31 114.58 113.19 1djm h GLU 117 Ca 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.37 1djm h GLU 117 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.28 1djm h GLU 117 CO -0.14 0.17 -0.15 1.49 -0.00 0.00 0.00 179.01 180.38 1djm h GLU 118 N 0.00 -0.40 -0.10 1.06 4.81 -1.58 -1.41 114.58 116.95 1djm h GLU 118 Ca -0.00 0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1djm h GLU 118 Cb 0.31 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1djm h GLU 118 CO 0.02 -0.07 -0.17 0.87 -0.73 0.00 0.00 179.01 178.93 1djm h LYS 119 N -0.84 0.17 0.68 1.92 1.79 -1.09 -1.35 116.57 117.86 1djm h LYS 119 Ca -0.04 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.36 1djm h LYS 119 Cb 0.52 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1djm h LYS 119 CO 0.07 0.34 -0.40 -0.07 -1.08 0.00 0.00 179.45 178.31 1djm h LEU 120 N 0.16 -1.01 -1.95 2.94 3.38 -1.22 -1.78 115.31 115.82 1djm h LEU 120 Ca 0.03 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1djm h LEU 120 Cb 0.40 0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1djm h LEU 120 CO 0.03 -0.64 -0.06 -1.13 0.09 0.00 0.00 178.44 176.73 1djm h ASN 121 N -1.02 0.00 0.58 -0.43 -1.24 -0.80 0.21 115.58 112.88 1djm h ASN 121 Ca -0.09 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.90 1djm h ASN 121 Cb 0.82 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.85 1djm h ASN 121 CO 0.10 0.06 -0.48 0.11 -1.29 0.00 0.00 177.43 175.93 1djm h LYS 122 N 0.00 -1.00 0.00 6.67 1.57 -1.04 -1.79 116.57 120.97 1djm h LYS 122 Ca -0.00 0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1djm h LYS 122 Cb 0.11 0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1djm h LYS 122 CO 0.01 -0.66 -0.30 -0.84 -0.57 0.00 0.00 179.45 177.09 1djm h ILE 123 N -1.04 0.54 0.57 1.86 3.07 -0.36 0.16 117.51 122.31 1djm h ILE 123 Ca -0.08 -1.62 -0.02 0.00 1.55 0.00 0.00 64.86 64.70 1djm h ILE 123 Cb 0.87 2.15 -0.01 0.00 -0.27 0.00 0.00 36.82 39.56 1djm h ILE 123 CO -0.00 0.29 -0.41 -0.26 -1.05 0.00 0.00 178.15 176.71 1djm h PHE 124 N 0.00 -1.11 0.00 0.16 0.04 -0.70 -1.73 116.94 113.60 1djm h PHE 124 Ca -0.00 -0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.59 1djm h PHE 124 Cb 1.12 0.41 -0.03 0.00 2.20 0.00 0.00 35.95 39.66 1djm h PHE 124 CO 0.00 -0.60 -0.84 0.93 -0.60 0.00 0.00 178.31 177.20 1djm h GLU 125 N -0.95 0.00 0.00 1.51 4.39 -0.99 -1.32 114.58 117.23 1djm h GLU 125 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1djm h GLU 125 Cb 0.79 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1djm h GLU 125 CO 0.03 0.84 -0.14 -0.22 -1.16 0.00 0.00 179.01 178.35 1djm h LYS 126 N 0.00 0.00 0.00 2.33 3.11 -0.77 -3.38 116.57 117.87 1djm h LYS 126 Ca -0.01 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.78 1djm h LYS 126 Cb 1.49 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.71 1djm h LYS 126 CO 0.11 0.00 -0.24 -0.07 -2.81 0.00 0.00 179.45 176.44 1djm h LEU 127 N -0.46 0.00 0.00 5.20 3.38 -1.56 -3.47 115.31 118.40 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 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1djm h LEU 127 CO 0.00 0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.38 1djm n GLY 128 N -0.23 0.81 0.00 0.83 0.00 -0.56 -5.03 105.19 101.01 1djm n GLY 128 Ca -0.01 -0.56 0.03 0.00 0.00 0.00 0.00 46.02 45.48 1djm n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35