#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 -1.67 0.10 -5.12 0.00 -1.26 -5.16 121.76 108.65 1djm s ALA 2 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 51.96 51.80 1djm s ALA 2 Cb 0.00 -2.43 0.02 0.00 0.00 0.00 0.00 23.12 20.71 1djm s ALA 2 CO 0.00 -2.09 0.34 -0.51 0.00 0.00 0.00 175.76 173.50 1djm s ASP 3 N 1.94 -0.14 0.00 0.00 1.01 -1.26 -5.01 116.67 113.22 1djm s ASP 3 Ca 0.15 -0.36 0.27 0.00 0.71 0.00 0.00 52.55 53.32 1djm s ASP 3 Cb -0.09 0.42 1.15 0.00 1.01 0.00 0.00 42.92 45.41 1djm s ASP 3 CO -0.11 -0.77 1.87 0.29 0.21 0.00 0.00 175.17 176.65 1djm n LYS 4 N -0.02 0.00 -3.96 8.23 4.01 -1.26 -4.95 118.16 120.21 1djm n LYS 4 Ca -0.16 0.04 -0.27 0.00 -0.51 0.00 0.00 58.31 57.41 1djm n LYS 4 Cb 0.62 -1.50 -0.01 0.00 -0.51 0.00 0.00 35.03 33.63 1djm n LYS 4 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1djm n GLU 5 N -1.51 -3.56 -0.63 1.97 1.02 -1.26 -4.16 120.64 112.52 1djm n GLU 5 Ca 0.07 0.43 -0.23 0.00 -0.02 0.00 0.00 57.16 57.41 1djm n GLU 5 Cb 0.32 -4.72 -0.06 0.00 -0.02 0.00 0.00 31.44 26.96 1djm n GLU 5 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1djm n LEU 6 N -4.41 0.23 -4.74 -4.62 7.94 -1.26 -4.76 117.00 105.38 1djm n LEU 6 Ca -0.24 0.19 -0.38 0.00 -1.11 0.00 0.00 56.01 54.47 1djm n LEU 6 Cb 0.65 -0.41 -0.06 0.00 0.53 0.00 0.00 43.42 44.13 1djm n LEU 6 CO 0.76 -0.34 0.22 -0.75 -1.11 0.00 0.00 177.39 176.17 1djm s LYS 7 N 3.42 4.30 -0.41 1.96 2.20 -1.26 -4.65 119.74 125.29 1djm s LYS 7 Ca 0.58 0.56 -0.08 0.00 -0.36 0.00 0.00 55.97 56.67 1djm s LYS 7 Cb -0.63 -3.39 0.08 0.00 -1.51 0.00 0.00 37.83 32.39 1djm s LYS 7 CO 0.26 0.26 0.25 -0.06 -0.36 0.00 0.00 175.35 175.70 1djm s PHE 8 N 0.24 3.36 0.12 4.03 0.40 -0.46 -0.99 117.98 124.69 1djm s PHE 8 Ca 0.28 -1.64 -0.30 0.00 -0.60 0.00 0.00 56.93 54.67 1djm s PHE 8 Cb -0.16 -2.96 -0.06 0.00 0.51 0.00 0.00 43.02 40.34 1djm s PHE 8 CO 0.13 -0.86 1.04 -1.17 0.70 0.00 0.00 175.22 175.06 1djm s LEU 9 N 1.39 4.47 -0.09 -0.37 2.96 -0.39 -0.35 118.68 126.29 1djm s LEU 9 Ca 0.03 1.92 -0.02 0.00 -0.22 0.00 0.00 54.13 55.85 1djm s LEU 9 Cb -0.23 -3.59 0.03 0.00 0.50 0.00 0.00 46.19 42.90 1djm s LEU 9 CO 0.01 -0.19 0.01 -0.69 -1.32 0.00 0.00 176.35 174.17 1djm s VAL 10 N 0.12 0.40 -0.41 1.68 1.01 -0.53 -1.50 120.40 121.17 1djm s VAL 10 Ca 0.50 0.03 0.11 0.00 0.00 0.00 0.00 61.98 62.62 1djm s VAL 10 Cb -0.26 -0.60 0.38 0.00 0.00 0.00 0.00 36.38 35.90 1djm s VAL 10 CO 0.32 0.20 0.86 0.52 0.00 0.00 0.00 175.10 177.00 1djm n VAL 11 N 5.13 1.02 -1.99 2.92 0.31 0.37 -3.71 118.33 122.38 1djm n VAL 11 Ca -0.07 -4.48 -0.38 0.00 -0.01 0.00 0.00 64.34 59.39 1djm n VAL 11 Cb 0.50 -0.39 0.02 0.00 -0.91 0.00 0.00 33.84 33.06 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 -2.91 5.70 -0.01 4.52 1.11 -1.26 -1.46 116.67 122.35 1djm s ASP 12 Ca 0.40 2.57 -0.22 0.00 0.18 0.00 0.00 52.55 55.48 1djm s ASP 12 Cb 0.37 -2.62 -0.13 0.00 1.07 0.00 0.00 42.92 41.60 1djm s ASP 12 CO -0.08 -1.26 0.94 -0.78 1.18 0.00 0.00 175.17 175.17 1djm h ASP 13 N 1.77 -0.52 -2.98 0.27 3.58 -1.90 -3.42 116.42 113.21 1djm h ASP 13 Ca -0.50 -0.06 -0.57 0.00 0.42 0.00 0.00 57.03 56.32 1djm h ASP 13 Cb 1.28 0.14 -0.04 0.00 1.72 0.00 0.00 39.33 42.42 1djm h ASP 13 CO 0.59 -0.11 1.06 0.12 -2.88 0.00 0.00 179.24 178.02 1djm s PHE 14 N -4.06 2.37 0.17 0.28 5.36 -1.26 -4.93 117.98 115.91 1djm s PHE 14 Ca -0.12 0.70 -0.19 0.00 -0.96 0.00 0.00 56.93 56.37 1djm s PHE 14 Cb 0.01 -3.99 0.10 0.00 -0.34 0.00 0.00 43.02 38.80 1djm s PHE 14 CO 0.39 -2.31 1.64 0.77 -1.46 0.00 0.00 175.22 174.25 1djm h SER 15 N 10.20 -0.62 0.11 6.13 0.02 -2.01 0.32 113.55 127.71 1djm h SER 15 Ca -0.30 0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 1djm h SER 15 Cb 1.12 0.34 -0.00 0.00 0.14 0.00 0.00 62.40 64.01 1djm h SER 15 CO 1.03 -0.21 -0.05 0.74 -1.14 0.00 0.00 176.83 177.19 1djm h THR 16 N -0.10 0.70 -0.56 -2.27 2.02 -1.97 0.19 112.91 110.92 1djm h THR 16 Ca 0.20 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 67.18 1djm h THR 16 Cb 0.41 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1djm h THR 16 CO -0.47 0.05 0.36 -0.03 0.37 0.00 0.00 175.52 175.81 1djm h MET 17 N 0.00 0.72 -0.46 6.66 4.05 -1.33 0.00 114.93 124.57 1djm h MET 17 Ca -0.00 -0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.30 1djm h MET 17 Cb 0.12 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.74 1djm h MET 17 CO 0.01 0.47 -0.02 -0.09 0.23 0.00 0.00 176.91 177.51 1djm h ARG 18 N 0.74 0.78 -0.67 0.39 2.43 -0.43 0.16 114.38 117.77 1djm h ARG 18 Ca 0.21 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1djm h ARG 18 Cb -0.07 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 1djm h ARG 18 CO -0.05 0.80 0.38 0.00 -1.51 0.00 0.00 179.97 179.59 1djm h ARG 19 N 0.72 0.92 0.23 0.20 -0.00 -0.72 0.54 114.38 116.27 1djm h ARG 19 Ca 0.14 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.98 59.51 1djm h ARG 19 Cb 0.48 -0.19 -0.01 0.00 0.00 0.00 0.00 29.97 30.25 1djm h ARG 19 CO 0.02 0.68 -0.19 0.82 0.00 0.00 0.00 179.97 181.30 1djm h ILE 20 N 0.91 0.00 -0.55 2.04 5.03 -0.21 -1.09 117.51 123.64 1djm h ILE 20 Ca 0.24 0.00 0.11 0.00 -0.12 0.00 0.00 64.86 65.09 1djm h ILE 20 Cb 0.01 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 33.70 1djm h ILE 20 CO -0.04 0.00 -0.10 0.58 -0.68 0.00 0.00 178.15 177.91 1djm h VAL 21 N -0.41 0.47 -0.75 1.67 2.07 -0.48 0.32 116.25 119.14 1djm h VAL 21 Ca -0.03 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1djm h VAL 21 Cb 0.35 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 1djm h VAL 21 CO -0.01 0.01 0.46 -0.09 0.02 0.00 0.00 177.57 177.96 1djm h ARG 22 N 0.03 0.84 -0.35 1.57 1.12 -0.93 -0.75 114.38 115.91 1djm h ARG 22 Ca 0.27 -0.05 -0.02 0.00 -1.11 0.00 0.00 59.98 59.07 1djm h ARG 22 Cb 0.42 -0.19 -0.02 0.00 -0.01 0.00 0.00 29.97 30.18 1djm h ARG 22 CO -0.54 0.56 0.15 -0.97 -3.11 0.00 0.00 179.97 176.06 1djm h ASN 23 N 0.87 0.48 -0.58 -3.80 -1.24 0.83 -0.84 115.58 111.30 1djm h ASN 23 Ca 0.31 -0.15 0.01 0.00 0.71 0.00 0.00 56.30 57.18 1djm h ASN 23 Cb 0.09 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 38.98 1djm h ASN 23 CO -0.14 0.50 0.37 -0.07 -1.29 0.00 0.00 177.43 176.80 1djm h LEU 24 N 0.42 0.63 -0.18 0.34 3.38 -0.02 0.24 115.31 120.12 1djm h LEU 24 Ca 0.12 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1djm h LEU 24 Cb 0.16 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1djm h LEU 24 CO -0.01 0.45 0.05 -0.07 0.09 0.00 0.00 178.44 178.95 1djm h LEU 25 N 0.75 0.28 -0.72 1.67 3.38 -1.13 -1.74 115.31 117.81 1djm h LEU 25 Ca 0.22 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1djm h LEU 25 Cb -0.05 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1djm h LEU 25 CO -0.07 0.43 0.43 0.11 0.09 0.00 0.00 178.44 179.43 1djm h LYS 26 N 0.11 0.98 -0.61 1.13 1.79 -0.59 -0.38 116.57 119.01 1djm h LYS 26 Ca 0.06 -0.09 0.04 0.00 -2.18 0.00 0.00 60.65 58.48 1djm h LYS 26 Cb 0.26 -0.20 -0.05 0.00 -1.58 0.00 0.00 32.23 30.66 1djm h LYS 26 CO 0.00 0.70 0.35 0.93 -1.08 0.00 0.00 179.45 180.35 1djm h GLU 27 N 0.98 0.64 0.00 3.15 4.39 -0.49 -1.17 114.58 122.08 1djm h GLU 27 Ca 0.26 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1djm h GLU 27 Cb -0.02 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.48 1djm h GLU 27 CO -0.05 0.42 0.00 1.28 -1.16 0.00 0.00 179.01 179.51 1djm n LEU 28 N -4.79 0.00 0.00 1.33 4.77 -0.66 -4.90 117.00 112.75 1djm n LEU 28 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1djm n LEU 28 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1djm n LEU 28 CO 0.30 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1djm n GLY 29 N 0.76 2.68 3.75 -0.72 0.00 -0.32 -5.04 105.19 106.31 1djm n GLY 29 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.65 2.42 0.10 1.61 0.08 -0.30 -4.89 117.98 114.35 1djm s PHE 30 Ca 0.00 1.58 0.02 0.00 0.12 0.00 0.00 56.93 58.65 1djm s PHE 30 Cb 0.00 -3.19 -0.01 0.00 -0.57 0.00 0.00 43.02 39.25 1djm s PHE 30 CO 0.00 -1.97 0.06 0.09 -0.10 0.00 0.00 175.22 173.30 1djm n ASN 31 N -2.99 0.31 -3.48 1.36 3.02 -1.26 -3.73 115.26 108.48 1djm n ASN 31 Ca 0.11 -1.62 -0.23 0.00 -0.03 0.00 0.00 54.58 52.81 1djm n ASN 31 Cb 0.52 0.40 0.06 0.00 -0.61 0.00 0.00 39.78 40.14 1djm n ASN 31 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1djm n ASN 32 N -2.33 -5.42 -4.84 6.41 5.15 -1.26 -4.37 115.26 108.60 1djm n ASN 32 Ca 0.01 -0.85 -0.34 0.00 -0.60 0.00 0.00 54.58 52.80 1djm n ASN 32 Cb 0.17 -4.33 -0.06 0.00 -0.53 0.00 0.00 39.78 35.03 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 -3.45 4.69 0.27 3.44 -7.23 -1.26 -1.35 120.40 115.51 1djm s VAL 33 Ca 0.41 0.97 0.11 0.00 -1.81 0.00 0.00 61.98 61.66 1djm s VAL 33 Cb -0.10 -3.69 -0.05 0.00 0.56 0.00 0.00 36.38 33.11 1djm s VAL 33 CO 0.80 -0.03 -0.19 -1.61 -0.31 0.00 0.00 175.10 173.75 1djm s GLU 34 N -2.62 1.61 0.15 4.82 0.41 0.52 -4.88 118.70 118.72 1djm s GLU 34 Ca 0.49 -1.74 0.10 0.00 -0.41 0.00 0.00 54.97 53.42 1djm s GLU 34 Cb -0.12 -1.64 -0.04 0.00 -1.78 0.00 0.00 34.13 30.54 1djm s GLU 34 CO 0.19 0.30 -0.24 -2.00 -0.49 0.00 0.00 175.26 173.02 1djm s GLU 35 N -3.54 1.37 0.26 1.61 2.12 -1.26 -1.45 118.70 117.81 1djm s GLU 35 Ca 0.29 -1.37 0.06 0.00 0.36 0.00 0.00 54.97 54.30 1djm s GLU 35 Cb -0.04 -1.72 -0.06 0.00 0.26 0.00 0.00 34.13 32.58 1djm s GLU 35 CO 0.13 0.39 -0.04 0.00 -0.54 0.00 0.00 175.26 175.20 1djm s ALA 36 N -1.38 2.15 0.18 6.30 0.00 -1.24 -4.94 121.76 122.82 1djm s ALA 36 Ca 0.15 -1.84 -0.03 0.00 0.00 0.00 0.00 51.96 50.24 1djm s ALA 36 Cb -0.09 0.27 0.07 0.00 0.00 0.00 0.00 23.12 23.37 1djm s ALA 36 CO 0.07 -0.13 1.45 0.93 0.00 0.00 0.00 175.76 178.09 1djm h GLU 37 N 2.36 0.49 -2.36 0.00 5.08 -1.94 -3.45 114.58 114.76 1djm h GLU 37 Ca -0.39 -0.36 0.20 0.00 -1.00 0.00 0.00 59.36 57.81 1djm h GLU 37 Cb 1.23 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.49 1djm h GLU 37 CO 0.66 0.98 0.64 0.16 -1.00 0.00 0.00 179.01 180.45 1djm s ASP 38 N -6.96 -0.03 0.27 1.42 -4.77 -1.26 -4.98 116.67 100.36 1djm s ASP 38 Ca -0.07 -0.52 0.01 0.00 -3.30 0.00 0.00 52.55 48.67 1djm s ASP 38 Cb 0.11 0.42 0.61 0.00 -1.09 0.00 0.00 42.92 42.97 1djm s ASP 38 CO 0.84 -0.82 1.73 1.23 0.70 0.00 0.00 175.17 178.85 1djm h GLY 39 N 2.00 1.44 0.98 2.12 0.00 -1.91 0.32 103.07 108.02 1djm h GLY 39 Ca -0.27 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1djm h GLY 39 CO 0.33 -0.13 -0.07 -2.08 0.00 0.00 0.00 176.54 174.59 1djm h VAL 40 N 0.53 0.87 -0.38 4.60 2.07 -1.95 -1.34 116.25 120.65 1djm h VAL 40 Ca 0.50 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.94 1djm h VAL 40 Cb 0.82 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1djm h VAL 40 CO -0.43 0.01 0.12 -0.78 0.02 0.00 0.00 177.57 176.51 1djm h ASP 41 N -0.22 0.49 -0.18 0.57 3.58 -1.83 -1.84 116.42 116.99 1djm h ASP 41 Ca -0.02 -0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.37 1djm h ASP 41 Cb 0.17 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1djm h ASP 41 CO 0.03 0.47 0.10 0.00 -2.88 0.00 0.00 179.24 176.97 1djm h ALA 42 N 1.60 0.23 -0.86 -0.78 0.00 0.02 0.21 119.26 119.68 1djm h ALA 42 Ca 0.13 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1djm h ALA 42 Cb 0.16 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1djm h ALA 42 CO -0.01 -0.23 0.56 1.25 0.00 0.00 0.00 179.25 180.83 1djm h LEU 43 N 0.19 0.95 -1.23 0.00 5.85 -0.90 -0.46 115.31 119.72 1djm h LEU 43 Ca 0.06 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 1djm h LEU 43 Cb 0.07 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1djm h LEU 43 CO -0.01 0.67 -0.38 -1.13 -0.34 0.00 0.00 178.44 177.25 1djm h ASN 44 N 1.12 0.00 -0.40 1.25 -1.24 -0.61 -1.30 115.58 114.40 1djm h ASN 44 Ca 0.33 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.24 1djm h ASN 44 Cb -0.06 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 38.98 1djm h ASN 44 CO -0.09 0.38 -0.12 0.11 -1.29 0.00 0.00 177.43 176.42 1djm h LYS 45 N 0.00 0.79 -0.74 6.67 6.56 0.04 -3.20 116.57 126.68 1djm h LYS 45 Ca -0.00 -0.31 -0.04 0.00 -1.06 0.00 0.00 60.65 59.23 1djm h LYS 45 Cb 0.68 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 32.27 1djm h LYS 45 CO 0.05 0.93 0.31 -0.07 -2.06 0.00 0.00 179.45 178.61 1djm h LEU 46 N 0.60 1.01 -0.23 2.94 -0.00 -0.38 0.33 115.31 119.57 1djm h LEU 46 Ca 0.10 -0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1djm h LEU 46 Cb 0.66 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 1djm h LEU 46 CO 0.04 0.89 0.00 0.00 -0.00 0.00 0.00 178.44 179.37 1djm n GLN 47 N -4.29 0.51 -0.14 1.13 6.02 -0.56 -1.85 117.38 118.20 1djm n GLN 47 Ca 0.07 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.10 1djm n GLN 47 Cb 0.17 -1.06 0.06 0.00 1.02 0.00 0.00 30.24 30.43 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 -0.33 1.99 0.00 -1.58 0.00 0.10 -5.05 120.51 115.64 1djm n ALA 48 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 53.44 51.81 1djm n ALA 48 Cb 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.72 -2.55 3.10 0.00 0.00 -0.77 -5.01 105.19 99.23 1djm n GLY 49 Ca 0.07 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.76 4.58 3.77 -0.02 0.00 -1.26 -4.77 105.19 106.73 1djm n GLY 50 Ca 0.00 -2.37 -0.33 0.00 0.00 0.00 0.00 46.02 43.32 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 -0.83 2.60 -0.04 1.61 1.51 -1.26 -4.73 117.35 116.21 1djm s TYR 51 Ca 0.36 1.55 0.07 0.00 -1.01 0.00 0.00 57.07 58.04 1djm s TYR 51 Cb 0.02 -3.19 -0.24 0.00 -0.11 0.00 0.00 41.96 38.45 1djm s TYR 51 CO 0.02 -1.72 0.68 0.78 -1.11 0.00 0.00 175.55 174.20 1djm h GLY 52 N 0.09 0.08 -4.85 0.71 0.00 -1.40 -3.48 103.07 94.23 1djm h GLY 52 Ca -0.47 -0.20 -0.15 0.00 0.00 0.00 0.00 47.33 46.50 1djm h GLY 52 CO 0.54 0.18 -0.57 -1.36 0.00 0.00 0.00 176.54 175.33 1djm s PHE 53 N -2.60 0.12 -0.39 5.60 0.40 -1.22 -4.42 117.98 115.48 1djm s PHE 53 Ca -0.08 -0.28 0.10 0.00 -0.60 0.00 0.00 56.93 56.07 1djm s PHE 53 Cb 0.08 -0.10 0.30 0.00 0.51 0.00 0.00 43.02 43.81 1djm s PHE 53 CO 0.82 -0.25 0.64 0.28 0.70 0.00 0.00 175.22 177.41 1djm n VAL 54 N 1.52 -0.32 -2.44 -0.44 0.31 -1.19 -1.27 118.33 114.51 1djm n VAL 54 Ca -0.23 -4.36 -0.42 0.00 -0.01 0.00 0.00 64.34 59.33 1djm n VAL 54 Cb 0.55 -1.06 -0.03 0.00 -0.91 0.00 0.00 33.84 32.39 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 -1.91 3.90 0.03 2.52 1.01 -0.56 -2.75 121.20 123.44 1djm s ILE 55 Ca 0.38 1.48 -0.14 0.00 0.00 0.00 0.00 60.65 62.37 1djm s ILE 55 Cb 0.27 -3.95 0.02 0.00 0.01 0.00 0.00 42.46 38.81 1djm s ILE 55 CO -0.09 0.18 0.31 -0.94 0.00 0.00 0.00 174.94 174.40 1djm s SER 56 N 0.53 -0.15 0.67 3.58 1.04 -0.38 -0.48 113.70 118.52 1djm s SER 56 Ca 0.55 -0.13 -0.07 0.00 0.48 0.00 0.00 55.95 56.78 1djm s SER 56 Cb -0.30 0.35 0.04 0.00 0.10 0.00 0.00 66.02 66.21 1djm s SER 56 CO 0.32 -0.59 0.99 -0.62 0.98 0.00 0.00 173.24 174.33 1djm s ASP 57 N -1.93 5.15 0.03 7.02 -1.08 -0.53 -0.77 116.67 124.57 1djm s ASP 57 Ca -0.07 0.64 -0.19 0.00 -0.52 0.00 0.00 52.55 52.42 1djm s ASP 57 Cb -0.02 -1.43 -0.18 0.00 -1.46 0.00 0.00 42.92 39.84 1djm s ASP 57 CO -0.02 -1.39 1.23 -0.25 0.52 0.00 0.00 175.17 175.26 1djm h TRP 58 N -0.47 0.61 0.00 -5.34 2.91 -1.91 -3.31 115.95 108.44 1djm h TRP 58 Ca -0.45 -0.26 0.00 0.00 1.13 0.00 0.00 58.89 59.31 1djm h TRP 58 Cb 1.29 -0.10 0.00 0.00 -0.51 0.00 0.00 29.16 29.84 1djm h TRP 58 CO 0.40 1.02 0.00 -1.71 -1.03 0.00 0.00 178.44 177.12 1djm n ASN 59 N -4.31 1.24 -4.52 2.65 5.15 -1.26 -1.79 115.26 112.41 1djm n ASN 59 Ca -0.08 -0.86 -0.28 0.00 -0.60 0.00 0.00 54.58 52.76 1djm n ASN 59 Cb 0.55 -0.22 0.22 0.00 -0.53 0.00 0.00 39.78 39.80 1djm n ASN 59 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1djm s MET 60 N 0.47 -0.44 -0.08 1.20 -1.94 -1.26 -4.89 119.30 112.37 1djm s MET 60 Ca 0.00 0.58 -0.07 0.00 -1.71 0.00 0.00 55.69 54.48 1djm s MET 60 Cb 0.00 -1.63 -0.28 0.00 2.01 0.00 0.00 34.83 34.93 1djm s MET 60 CO 0.00 -3.33 0.52 -1.00 -0.01 0.00 0.00 175.02 171.20 1djm h PRO 61 N -2.33 0.31 0.00 2.03 0.13 -1.95 -3.45 132.00 126.73 1djm h PRO 61 Ca -0.58 -0.52 0.00 0.00 -0.87 0.00 0.00 66.00 64.03 1djm h PRO 61 Cb 1.34 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.66 1djm h PRO 61 CO 0.53 1.22 0.00 -1.71 -0.23 0.00 0.00 178.00 177.82 1djm n ASN 62 N -3.51 0.00 -4.57 1.44 5.15 -1.26 -4.91 115.26 107.60 1djm n ASN 62 Ca -0.28 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.30 1djm n ASN 62 Cb 1.06 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 40.28 1djm n ASN 62 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 1djm s MET 63 N -0.31 3.06 0.91 1.20 1.75 -1.26 -5.00 119.30 119.65 1djm s MET 63 Ca 0.00 0.64 -0.11 0.00 -1.25 0.00 0.00 55.69 54.97 1djm s MET 63 Cb 0.00 -4.23 0.14 0.00 2.84 0.00 0.00 34.83 33.58 1djm s MET 63 CO 0.00 -2.22 1.09 0.16 -0.65 0.00 0.00 175.02 173.40 1djm s ASP 64 N 6.00 3.23 0.54 1.11 1.47 -1.26 -4.08 116.67 123.68 1djm s ASP 64 Ca 0.61 1.64 0.27 0.00 1.18 0.00 0.00 52.55 56.25 1djm s ASP 64 Cb -0.13 -2.29 1.57 0.00 -0.34 0.00 0.00 42.92 41.73 1djm s ASP 64 CO 0.24 -2.82 2.15 1.23 0.68 0.00 0.00 175.17 176.65 1djm h GLY 65 N -1.67 0.00 0.92 2.12 0.00 -1.44 -0.44 103.07 102.55 1djm h GLY 65 Ca -0.49 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.68 1djm h GLY 65 CO 0.52 0.00 -0.55 -2.00 0.00 0.00 0.00 176.54 174.50 1djm h LEU 66 N 0.00 0.66 -0.58 3.11 7.12 -1.87 -1.92 115.31 121.84 1djm h LEU 66 Ca -0.00 -0.65 -0.04 0.00 0.13 0.00 0.00 57.88 57.32 1djm h LEU 66 Cb 0.18 -0.20 -0.03 0.00 -0.53 0.00 0.00 40.66 40.09 1djm h LEU 66 CO 0.01 1.21 0.21 -0.33 -0.13 0.00 0.00 178.44 179.41 1djm h GLU 67 N 0.16 0.88 -0.09 1.25 4.39 -1.74 0.29 114.58 119.73 1djm h GLU 67 Ca -0.04 -0.17 0.04 0.00 0.34 0.00 0.00 59.36 59.53 1djm h GLU 67 Cb 1.20 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 29.67 1djm h GLU 67 CO 0.11 0.77 -0.18 1.25 -1.16 0.00 0.00 179.01 179.81 1djm h LEU 68 N 0.80 -0.53 0.12 1.33 5.85 -1.11 -0.21 115.31 121.56 1djm h LEU 68 Ca 0.19 0.09 0.02 0.00 0.84 0.00 0.00 57.88 59.02 1djm h LEU 68 Cb 0.24 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 1djm h LEU 68 CO -0.01 -0.23 -0.49 0.25 -0.34 0.00 0.00 178.44 177.62 1djm h LEU 69 N -0.24 -1.45 -1.62 2.25 5.85 -1.11 -1.60 115.31 117.38 1djm h LEU 69 Ca 0.08 0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 1djm h LEU 69 Cb 0.36 0.54 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1djm h LEU 69 CO -0.23 -0.53 -0.14 0.11 -0.34 0.00 0.00 178.44 177.31 1djm h LYS 70 N -0.72 0.07 0.07 1.25 1.57 -0.58 0.26 116.57 118.49 1djm h LYS 70 Ca 0.01 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1djm h LYS 70 Cb 0.73 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1djm h LYS 70 CO -0.27 0.21 -0.03 1.15 -0.57 0.00 0.00 179.45 179.93 1djm h THR 71 N 0.07 1.20 -0.40 -0.16 2.02 -0.86 -2.92 112.91 111.86 1djm h THR 71 Ca 0.01 -0.99 0.05 0.00 0.77 0.00 0.00 66.41 66.25 1djm h THR 71 Cb 0.28 1.83 -0.05 0.00 -1.74 0.00 0.00 68.15 68.48 1djm h THR 71 CO 0.02 0.24 0.12 0.40 0.37 0.00 0.00 175.52 176.68 1djm h ILE 72 N -0.55 0.86 -0.04 3.11 2.04 -0.63 -2.67 117.51 119.63 1djm h ILE 72 Ca -0.01 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.77 1djm h ILE 72 Cb 0.47 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1djm h ILE 72 CO 0.02 0.05 0.06 -0.09 0.00 0.00 0.00 178.15 178.19 1djm h ARG 73 N 0.28 0.00 0.66 2.37 9.65 -0.49 -3.15 114.38 123.69 1djm h ARG 73 Ca 0.18 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 59.04 1djm h ARG 73 Cb 0.18 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.76 1djm h ARG 73 CO -0.20 0.00 -0.40 0.00 2.80 0.00 0.00 179.97 182.17 1djm h ALA 74 N 1.91 -1.21 -3.00 2.80 0.00 -1.27 -3.41 119.26 115.07 1djm h ALA 74 Ca 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1djm h ALA 74 Cb 0.15 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1djm h ALA 74 CO -0.00 -1.17 0.00 -0.40 0.00 0.00 0.00 179.25 177.68 1djm n ASP 75 N -4.92 0.00 0.00 0.00 5.75 -1.25 -4.95 116.55 111.18 1djm n ASP 75 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.66 1djm n ASP 75 Cb 0.41 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 1djm n ASP 75 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1djm n GLY 76 N 0.00 0.16 3.03 6.12 0.00 -1.26 -1.02 105.19 112.22 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 1.00 0.00 0.96 4.61 0.00 -1.26 -4.84 120.51 120.98 1djm n ALA 77 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1djm n ALA 77 Cb 0.08 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.14 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 0.55 0.03 -0.15 0.00 2.81 -0.19 -4.66 117.12 115.50 1djm n MET 78 Ca 0.00 -0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.86 1djm n MET 78 Cb 0.43 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.50 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 0.00 0.04 0.00 7.83 4.64 -1.27 -1.19 113.55 123.60 1djm h SER 79 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1djm h SER 79 Cb 0.52 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1djm h SER 79 CO 0.00 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 1djm n ALA 80 N -2.49 2.34 -1.65 5.18 0.00 -1.26 -4.43 120.51 118.19 1djm n ALA 80 Ca 0.05 -0.09 -0.41 0.00 0.00 0.00 0.00 53.44 52.99 1djm n ALA 80 Cb 0.23 -1.23 0.01 0.00 0.00 0.00 0.00 19.45 18.46 1djm n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1djm n LEU 81 N -0.80 3.19 -3.86 0.00 4.77 -0.45 -4.87 117.00 114.98 1djm n LEU 81 Ca 0.11 1.09 -0.41 0.00 -0.03 0.00 0.00 56.01 56.76 1djm n LEU 81 Cb 0.05 -1.42 -0.04 0.00 -2.33 0.00 0.00 43.42 39.69 1djm n LEU 81 CO 0.08 -1.08 2.18 -0.81 -1.33 0.00 0.00 177.39 176.44 1djm n PRO 82 N 0.16 2.03 -1.98 3.23 -0.04 -1.26 -4.77 135.00 132.37 1djm n PRO 82 Ca 0.08 -2.26 -0.41 0.00 -0.04 0.00 0.00 63.50 60.87 1djm n PRO 82 Cb 0.39 -3.18 -0.02 0.00 -0.04 0.00 0.00 33.50 30.65 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 5.23 2.51 -0.14 0.52 -7.23 -1.26 -3.17 120.40 116.86 1djm s VAL 83 Ca 0.56 0.46 -0.04 0.00 -1.81 0.00 0.00 61.98 61.15 1djm s VAL 83 Cb 0.11 -3.30 0.06 0.00 0.56 0.00 0.00 36.38 33.82 1djm s VAL 83 CO 0.06 0.09 0.13 -0.22 -0.31 0.00 0.00 175.10 174.85 1djm s LEU 84 N -1.13 0.14 0.03 1.32 2.96 -1.11 -1.10 118.68 119.79 1djm s LEU 84 Ca 0.55 -0.24 -0.30 0.00 -0.22 0.00 0.00 54.13 53.92 1djm s LEU 84 Cb -0.43 0.00 -0.05 0.00 0.50 0.00 0.00 46.19 46.21 1djm s LEU 84 CO 0.50 -0.31 1.19 -0.04 -1.32 0.00 0.00 176.35 176.37 1djm s MET 85 N 2.21 4.42 -0.18 1.98 -1.94 -0.65 -1.25 119.30 123.90 1djm s MET 85 Ca 0.04 1.73 -0.04 0.00 -1.71 0.00 0.00 55.69 55.71 1djm s MET 85 Cb -0.15 -3.40 0.06 0.00 2.01 0.00 0.00 34.83 33.35 1djm s MET 85 CO -0.08 -0.29 0.05 0.08 -0.01 0.00 0.00 175.02 174.77 1djm s VAL 86 N 1.32 0.29 0.23 -6.03 1.01 0.05 -0.67 120.40 116.60 1djm s VAL 86 Ca 0.58 -0.38 -0.14 0.00 0.00 0.00 0.00 61.98 62.03 1djm s VAL 86 Cb -0.28 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.27 1djm s VAL 86 CO 0.28 -0.21 0.49 0.28 0.00 0.00 0.00 175.10 175.93 1djm s THR 87 N 1.97 0.02 -0.23 3.92 -1.32 -0.53 -3.55 115.64 115.90 1djm s THR 87 Ca 0.00 -1.20 0.19 0.00 -1.21 0.00 0.00 61.69 59.47 1djm s THR 87 Cb -0.16 -1.97 0.08 0.00 -1.51 0.00 0.00 72.50 68.94 1djm s THR 87 CO -0.08 -0.07 1.29 0.00 -2.21 0.00 0.00 174.62 173.55 1djm h ALA 88 N 2.25 0.72 -2.09 11.08 0.00 -1.93 0.11 119.26 129.39 1djm h ALA 88 Ca -0.27 -0.34 -0.59 0.00 0.00 0.00 0.00 54.91 53.71 1djm h ALA 88 Cb 1.25 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 1djm h ALA 88 CO 0.36 0.42 0.60 -1.21 0.00 0.00 0.00 179.25 179.43 1djm s GLU 89 N -3.08 3.97 0.00 0.00 0.41 -1.26 -4.51 118.70 114.23 1djm s GLU 89 Ca 0.03 0.76 0.00 0.00 -0.41 0.00 0.00 54.97 55.35 1djm s GLU 89 Cb 0.07 -3.75 0.00 0.00 -1.78 0.00 0.00 34.13 28.68 1djm s GLU 89 CO 0.75 -0.82 0.29 0.00 -0.49 0.00 0.00 175.26 174.99 1djm n ALA 90 N 6.56 0.00 -2.99 5.21 0.00 -1.26 -4.85 120.51 123.18 1djm n ALA 90 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.51 1djm n ALA 90 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.43 -1.77 -0.23 0.00 3.00 -1.26 -4.37 118.16 113.10 1djm n LYS 91 Ca 0.00 1.65 0.21 0.00 -0.00 0.00 0.00 58.31 60.17 1djm n LYS 91 Cb 0.00 -2.19 0.56 0.00 0.00 0.00 0.00 35.03 33.40 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 4.12 0.29 -0.74 1.64 1.57 -1.99 0.21 116.57 121.68 1djm h LYS 92 Ca -0.09 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1djm h LYS 92 Cb 0.55 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.74 1djm h LYS 92 CO 0.02 0.19 0.45 1.49 -0.57 0.00 0.00 179.45 181.03 1djm h GLU 93 N 0.30 0.83 -0.53 3.15 4.22 -1.99 0.88 114.58 121.45 1djm h GLU 93 Ca 0.46 -0.05 0.01 0.00 0.08 0.00 0.00 59.36 59.86 1djm h GLU 93 Cb 1.30 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 1djm h GLU 93 CO -0.14 0.55 0.34 -0.91 -2.18 0.00 0.00 179.01 176.67 1djm h ASN 94 N 0.86 0.57 -0.47 1.04 4.21 -0.87 -0.45 115.58 120.47 1djm h ASN 94 Ca 0.31 -0.01 0.04 0.00 1.21 0.00 0.00 56.30 57.85 1djm h ASN 94 Cb 0.09 -0.14 -0.04 0.00 -1.12 0.00 0.00 38.32 37.11 1djm h ASN 94 CO -0.14 0.41 0.24 0.40 -1.29 0.00 0.00 177.43 177.05 1djm h ILE 95 N 0.69 0.96 0.24 2.81 5.03 -0.35 -0.07 117.51 126.82 1djm h ILE 95 Ca 0.20 -0.16 -0.01 0.00 -0.12 0.00 0.00 64.86 64.77 1djm h ILE 95 Cb -0.05 0.45 0.00 0.00 -3.03 0.00 0.00 36.82 34.20 1djm h ILE 95 CO -0.06 0.09 -0.11 0.40 -0.68 0.00 0.00 178.15 177.78 1djm h ILE 96 N 0.47 0.79 -0.61 -0.67 2.04 -0.48 -0.57 117.51 118.47 1djm h ILE 96 Ca 0.21 -0.14 0.10 0.00 1.00 0.00 0.00 64.86 66.03 1djm h ILE 96 Cb 0.12 0.87 -0.08 0.00 -0.74 0.00 0.00 36.82 36.99 1djm h ILE 96 CO -0.15 0.03 0.20 0.00 0.00 0.00 0.00 178.15 178.24 1djm h ALA 97 N 0.36 0.77 -0.23 1.87 0.00 -0.82 0.18 119.26 121.39 1djm h ALA 97 Ca -0.03 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1djm h ALA 97 Cb 0.30 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1djm h ALA 97 CO 0.05 -0.22 0.07 0.00 0.00 0.00 0.00 179.25 179.15 1djm h ALA 98 N 1.44 0.31 -0.26 0.00 0.00 -0.86 0.52 119.26 120.40 1djm h ALA 98 Ca 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1djm h ALA 98 Cb 0.41 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1djm h ALA 98 CO -0.33 -0.06 0.14 0.00 0.00 0.00 0.00 179.25 179.00 1djm h ALA 99 N 0.89 0.34 -0.12 0.00 0.00 -0.42 0.17 119.26 120.12 1djm h ALA 99 Ca 0.08 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1djm h ALA 99 Cb 0.25 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1djm h ALA 99 CO -0.00 -0.12 -0.13 1.96 0.00 0.00 0.00 179.25 180.96 1djm h GLN 100 N 0.30 -0.15 0.00 0.00 1.08 -0.51 -1.76 115.11 114.08 1djm h GLN 100 Ca 0.09 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 1djm h GLN 100 Cb 0.08 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1djm h GLN 100 CO -0.01 -0.10 -0.04 0.00 -0.95 0.00 0.00 178.83 177.73 1djm h ALA 101 N 0.91 1.04 0.00 3.87 0.00 -0.80 -3.47 119.26 120.82 1djm h ALA 101 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1djm h ALA 101 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1djm h ALA 101 CO -0.21 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.49 1djm n GLY 102 N -0.35 1.54 3.76 0.00 0.00 -0.65 -4.83 105.19 104.65 1djm n GLY 102 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1djm n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djm s ALA 103 N -2.00 3.67 -1.83 4.61 0.00 0.51 -4.88 121.76 121.84 1djm s ALA 103 Ca 0.00 1.51 0.23 0.00 0.00 0.00 0.00 51.96 53.70 1djm s ALA 103 Cb 0.00 -3.61 1.30 0.00 0.00 0.00 0.00 23.12 20.81 1djm s ALA 103 CO 0.00 -0.93 1.74 -1.13 0.00 0.00 0.00 175.76 175.44 1djm n SER 104 N 1.77 0.00 0.00 0.00 3.41 -0.26 -4.69 113.62 113.86 1djm n SER 104 Ca 0.06 -0.51 0.00 0.00 -0.26 0.00 0.00 58.87 58.16 1djm n SER 104 Cb 0.39 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1djm n SER 104 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1djm n GLY 105 N 0.49 0.99 2.49 5.00 0.00 -1.26 -4.90 105.19 108.00 1djm n GLY 105 Ca 0.15 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 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 0.64 -0.41 1.61 6.14 -1.26 -1.63 117.35 120.43 1djm s TYR 106 Ca 0.00 -1.44 -0.29 0.00 0.64 0.00 0.00 57.07 55.98 1djm s TYR 106 Cb 0.00 -0.93 0.02 0.00 0.42 0.00 0.00 41.96 41.48 1djm s TYR 106 CO 0.00 -0.83 1.11 0.08 0.64 0.00 0.00 175.55 176.55 1djm s VAL 107 N 1.34 4.33 0.55 3.14 1.01 0.16 -5.00 120.40 125.91 1djm s VAL 107 Ca 0.16 1.43 -0.12 0.00 0.00 0.00 0.00 61.98 63.45 1djm s VAL 107 Cb -0.21 -4.53 -0.05 0.00 0.00 0.00 0.00 36.38 31.58 1djm s VAL 107 CO -0.09 -0.80 0.95 -0.69 0.00 0.00 0.00 175.10 174.47 1djm s VAL 108 N 4.13 4.70 0.85 2.92 1.01 -1.26 -1.45 120.40 131.30 1djm s VAL 108 Ca 0.47 0.85 -0.11 0.00 0.00 0.00 0.00 61.98 63.19 1djm s VAL 108 Cb -0.09 -3.81 0.10 0.00 0.00 0.00 0.00 36.38 32.58 1djm s VAL 108 CO 0.25 -0.91 1.13 -1.59 0.00 0.00 0.00 175.10 173.99 1djm s LYS 109 N -4.65 1.56 0.86 2.72 -2.85 0.38 -4.46 119.74 113.30 1djm s LYS 109 Ca 0.55 1.42 -0.12 0.00 -1.00 0.00 0.00 55.97 56.82 1djm s LYS 109 Cb -0.11 -1.80 0.11 0.00 -2.06 0.00 0.00 37.83 33.97 1djm s LYS 109 CO 0.44 -2.21 1.11 -1.25 0.10 0.00 0.00 175.35 173.54 1djm s PRO 110 N -4.69 1.58 -0.26 1.78 0.04 -1.26 -4.97 135.00 127.22 1djm s PRO 110 Ca 0.65 0.54 -0.36 0.00 0.04 0.00 0.00 61.00 61.86 1djm s PRO 110 Cb -0.21 -1.87 0.16 0.00 0.04 0.00 0.00 34.50 32.62 1djm s PRO 110 CO 0.56 -1.95 1.32 -0.59 0.04 0.00 0.00 177.00 176.39 1djm s PHE 111 N -3.16 -0.05 0.28 0.56 -0.71 -1.26 -5.09 117.98 108.54 1djm s PHE 111 Ca 0.62 0.04 -0.07 0.00 -1.04 0.00 0.00 56.93 56.49 1djm s PHE 111 Cb -0.15 0.50 0.03 0.00 -1.21 0.00 0.00 43.02 42.19 1djm s PHE 111 CO 0.54 -0.08 0.49 0.25 -1.34 0.00 0.00 175.22 175.09 1djm n THR 112 N 0.04 0.00 0.27 -4.49 -2.24 -1.26 -5.03 114.28 101.57 1djm n THR 112 Ca 0.03 -1.02 0.18 0.00 -2.27 0.00 0.00 64.05 60.97 1djm n THR 112 Cb 0.57 0.78 0.94 0.00 -2.10 0.00 0.00 70.33 70.52 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 1.95 1.50 -0.10 6.98 0.00 -1.96 -1.09 119.26 126.55 1djm h ALA 113 Ca -0.23 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1djm h ALA 113 Cb 0.91 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 1djm h ALA 113 CO 0.30 -0.17 -0.24 0.00 0.00 0.00 0.00 179.25 179.15 1djm h ALA 114 N 1.82 -0.24 -0.00 0.00 0.00 -1.97 0.16 119.26 119.03 1djm h ALA 114 Ca 0.04 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 1djm h ALA 114 Cb 0.29 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1djm h ALA 114 CO -0.00 -0.71 -0.77 0.00 0.00 0.00 0.00 179.25 177.77 1djm h THR 115 N -0.32 1.54 0.24 0.00 1.03 -1.63 -2.54 112.91 111.22 1djm h THR 115 Ca 0.09 -2.60 0.00 0.00 -0.01 0.00 0.00 66.41 63.89 1djm h THR 115 Cb 0.45 2.41 -0.01 0.00 -1.07 0.00 0.00 68.15 69.92 1djm h THR 115 CO -0.28 0.74 -0.21 0.25 -0.01 0.00 0.00 175.52 176.02 1djm h LEU 116 N 0.02 -0.55 -0.58 0.00 7.12 -0.77 0.12 115.31 120.66 1djm h LEU 116 Ca -0.01 0.05 -0.11 0.00 0.13 0.00 0.00 57.88 57.93 1djm h LEU 116 Cb 1.36 0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 41.66 1djm h LEU 116 CO 0.10 -0.32 -0.09 1.05 -0.13 0.00 0.00 178.44 179.06 1djm h GLU 117 N -0.47 1.03 -0.41 1.25 4.11 -0.76 0.89 114.58 120.22 1djm h GLU 117 Ca -0.01 -0.37 0.06 0.00 0.07 0.00 0.00 59.36 59.11 1djm h GLU 117 Cb 0.43 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.55 1djm h GLU 117 CO -0.03 1.06 0.09 1.49 0.07 0.00 0.00 179.01 181.69 1djm h GLU 118 N 0.92 0.22 -0.37 1.06 4.57 -1.33 0.86 114.58 120.51 1djm h GLU 118 Ca 0.15 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.19 1djm h GLU 118 Cb 0.66 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 1djm h GLU 118 CO 0.05 0.14 -0.26 0.87 -1.18 0.00 0.00 179.01 178.63 1djm h LYS 119 N 0.22 0.76 0.83 1.92 1.79 -0.27 -0.78 116.57 121.04 1djm h LYS 119 Ca 0.20 -0.32 -0.04 0.00 -2.18 0.00 0.00 60.65 58.31 1djm h LYS 119 Cb 0.24 -0.03 0.01 0.00 -1.58 0.00 0.00 32.23 30.87 1djm h LYS 119 CO -0.26 0.93 -0.40 -0.07 -1.08 0.00 0.00 179.45 178.58 1djm h LEU 120 N 0.65 -0.94 -1.40 2.94 3.38 -0.37 -1.78 115.31 117.79 1djm h LEU 120 Ca 0.08 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.13 1djm h LEU 120 Cb 0.78 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 1djm h LEU 120 CO 0.06 -0.66 0.45 0.78 0.09 0.00 0.00 178.44 179.16 1djm h ASN 121 N -1.14 0.66 0.37 -0.43 2.35 -0.81 0.16 115.58 116.73 1djm h ASN 121 Ca -0.11 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1djm h ASN 121 Cb 0.86 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.07 1djm h ASN 121 CO 0.19 0.44 -0.32 0.11 -1.65 0.00 0.00 177.43 176.20 1djm h LYS 122 N 0.75 -0.67 0.00 0.81 1.57 -1.05 -1.28 116.57 116.70 1djm h LYS 122 Ca 0.28 0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 59.06 1djm h LYS 122 Cb 0.17 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1djm h LYS 122 CO -0.09 -0.45 -0.25 -0.84 -0.57 0.00 0.00 179.45 177.25 1djm h ILE 123 N -0.70 0.75 0.42 1.86 3.07 -0.20 0.21 117.51 122.91 1djm h ILE 123 Ca -0.03 -1.06 -0.01 0.00 1.55 0.00 0.00 64.86 65.31 1djm h ILE 123 Cb 0.62 1.66 -0.01 0.00 -0.27 0.00 0.00 36.82 38.82 1djm h ILE 123 CO -0.03 0.25 -0.30 -0.26 -1.05 0.00 0.00 178.15 176.76 1djm h PHE 124 N 0.00 -0.79 -0.20 0.16 -1.00 -0.63 -1.00 116.94 113.48 1djm h PHE 124 Ca -0.00 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 1djm h PHE 124 Cb 0.64 0.29 -0.01 0.00 3.61 0.00 0.00 35.95 40.49 1djm h PHE 124 CO 0.00 -0.45 0.04 0.93 -1.61 0.00 0.00 178.31 177.23 1djm h GLU 125 N -0.70 0.33 0.00 1.51 4.39 -0.80 -2.15 114.58 117.16 1djm h GLU 125 Ca -0.04 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1djm h GLU 125 Cb 0.60 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1djm h GLU 125 CO 0.01 0.47 0.00 1.17 -1.16 0.00 0.00 179.01 179.50 1djm n LYS 126 N -4.76 0.00 0.30 2.33 3.00 0.69 -3.99 118.16 115.74 1djm n LYS 126 Ca -0.04 0.41 0.19 0.00 -0.00 0.00 0.00 58.31 58.87 1djm n LYS 126 Cb 0.18 -0.96 0.94 0.00 0.00 0.00 0.00 35.03 35.19 1djm n LYS 126 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1djm h LEU 127 N 0.00 0.00 -1.22 3.14 3.38 -1.43 -3.46 115.31 115.73 1djm h LEU 127 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1djm h LEU 127 Cb 0.00 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.77 1djm h LEU 127 CO 0.00 0.02 -0.07 0.61 0.09 0.00 0.00 178.44 179.08 1djm n GLY 128 N -0.57 0.69 0.00 0.83 0.00 -0.85 -5.03 105.19 100.27 1djm n GLY 128 Ca -0.01 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.58 1djm n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35