#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 1.46 1.14 -5.12 0.00 -1.26 -5.16 121.76 112.82 1djm s ALA 2 Ca 0.00 -1.88 -0.15 0.00 0.00 0.00 0.00 51.96 49.93 1djm s ALA 2 Cb 0.00 1.34 0.26 0.00 0.00 0.00 0.00 23.12 24.72 1djm s ALA 2 CO 0.00 -0.72 1.06 -0.51 0.00 0.00 0.00 175.76 175.59 1djm s ASP 3 N -3.33 1.35 0.18 0.00 1.11 -1.26 -4.91 116.67 109.80 1djm s ASP 3 Ca 0.37 1.09 0.14 0.00 0.18 0.00 0.00 52.55 54.33 1djm s ASP 3 Cb 0.01 -1.68 0.70 0.00 1.07 0.00 0.00 42.92 43.03 1djm s ASP 3 CO 0.26 -3.91 1.43 0.29 1.18 0.00 0.00 175.17 174.41 1djm n LYS 4 N -4.68 0.09 -4.03 8.23 4.01 -1.26 -4.88 118.16 115.64 1djm n LYS 4 Ca 0.07 0.53 -0.27 0.00 -0.51 0.00 0.00 58.31 58.13 1djm n LYS 4 Cb 0.57 -1.75 -0.03 0.00 -0.51 0.00 0.00 35.03 33.31 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 -1.93 -2.92 -1.52 1.97 1.02 -1.26 -4.68 120.64 111.31 1djm n GLU 5 Ca -0.00 0.35 -0.44 0.00 -0.02 0.00 0.00 57.16 57.06 1djm n GLU 5 Cb 0.06 -4.43 -0.06 0.00 -0.02 0.00 0.00 31.44 26.99 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 -4.43 2.33 -4.61 -4.62 7.94 -1.26 -4.83 117.00 107.53 1djm n LEU 6 Ca -0.28 0.07 -0.41 0.00 -1.11 0.00 0.00 56.01 54.28 1djm n LEU 6 Cb 0.67 -1.40 -0.06 0.00 0.53 0.00 0.00 43.42 43.16 1djm n LEU 6 CO 0.78 -0.95 0.43 -0.75 -1.11 0.00 0.00 177.39 175.78 1djm s LYS 7 N 7.08 3.94 0.56 1.96 2.20 -1.26 -4.66 119.74 129.56 1djm s LYS 7 Ca 1.06 0.40 -0.18 0.00 -0.36 0.00 0.00 55.97 56.89 1djm s LYS 7 Cb -0.56 -3.72 -0.05 0.00 -1.51 0.00 0.00 37.83 31.99 1djm s LYS 7 CO 0.39 -0.58 1.07 -0.06 -0.36 0.00 0.00 175.35 175.81 1djm s PHE 8 N 2.67 2.89 -0.05 4.03 0.40 -0.26 -0.68 117.98 126.98 1djm s PHE 8 Ca 0.27 1.54 0.05 0.00 -0.60 0.00 0.00 56.93 58.19 1djm s PHE 8 Cb -0.15 -3.09 -0.01 0.00 0.51 0.00 0.00 43.02 40.28 1djm s PHE 8 CO 0.11 -1.18 -0.21 -1.17 0.70 0.00 0.00 175.22 173.48 1djm s LEU 9 N -4.13 1.98 -0.18 -0.37 2.96 -0.59 -0.78 118.68 117.57 1djm s LEU 9 Ca 0.67 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 54.16 1djm s LEU 9 Cb -0.18 -1.16 0.02 0.00 0.50 0.00 0.00 46.19 45.38 1djm s LEU 9 CO 0.31 0.19 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.65 1djm s VAL 10 N -0.00 1.99 -0.46 1.68 1.01 -0.31 -1.36 120.40 122.95 1djm s VAL 10 Ca -0.05 -0.95 0.09 0.00 0.00 0.00 0.00 61.98 61.07 1djm s VAL 10 Cb -0.13 -1.83 0.33 0.00 0.00 0.00 0.00 36.38 34.75 1djm s VAL 10 CO 0.03 0.48 0.79 0.52 0.00 0.00 0.00 175.10 176.92 1djm n VAL 11 N 4.63 1.04 -1.49 2.92 0.31 0.28 -1.94 118.33 124.07 1djm n VAL 11 Ca -0.20 -4.92 -0.32 0.00 -0.01 0.00 0.00 64.34 58.89 1djm n VAL 11 Cb 0.49 -0.89 0.07 0.00 -0.91 0.00 0.00 33.84 32.61 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 -2.69 4.67 0.16 4.52 1.01 -1.26 -1.11 116.67 121.97 1djm s ASP 12 Ca 0.43 1.99 -0.14 0.00 0.71 0.00 0.00 52.55 55.54 1djm s ASP 12 Cb 0.30 -2.55 0.04 0.00 1.01 0.00 0.00 42.92 41.72 1djm s ASP 12 CO -0.10 -1.93 1.75 -0.78 0.21 0.00 0.00 175.17 174.32 1djm h ASP 13 N -0.51 0.63 -3.56 0.27 1.82 -1.92 -3.46 116.42 109.70 1djm h ASP 13 Ca -0.46 -0.11 -0.67 0.00 -0.39 0.00 0.00 57.03 55.40 1djm h ASP 13 Cb 1.25 -0.16 -0.28 0.00 0.68 0.00 0.00 39.33 40.82 1djm h ASP 13 CO 0.52 0.57 -0.81 0.12 -1.61 0.00 0.00 179.24 178.03 1djm s PHE 14 N -5.77 2.69 0.10 0.28 5.36 -1.26 -5.05 117.98 114.33 1djm s PHE 14 Ca -0.13 -0.64 -0.33 0.00 -0.96 0.00 0.00 56.93 54.87 1djm s PHE 14 Cb 0.12 -1.74 -0.14 0.00 -0.34 0.00 0.00 43.02 40.91 1djm s PHE 14 CO 0.76 -0.18 1.52 0.77 -1.46 0.00 0.00 175.22 176.63 1djm h SER 15 N 6.36 -1.50 -0.97 6.13 0.02 -2.00 -1.11 113.55 120.48 1djm h SER 15 Ca -0.29 0.16 0.21 0.00 -0.84 0.00 0.00 61.79 61.02 1djm h SER 15 Cb 1.20 0.55 -0.09 0.00 0.14 0.00 0.00 62.40 64.20 1djm h SER 15 CO 0.52 -0.53 0.62 0.74 -1.14 0.00 0.00 176.83 177.03 1djm h THR 16 N -0.72 0.67 -0.37 -2.27 2.02 -1.98 0.13 112.91 110.38 1djm h THR 16 Ca -0.01 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 67.01 1djm h THR 16 Cb 0.72 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 1djm h THR 16 CO -0.26 0.10 0.16 -0.03 0.37 0.00 0.00 175.52 175.86 1djm h MET 17 N 0.56 0.33 0.00 6.66 4.05 -1.64 0.93 114.93 125.82 1djm h MET 17 Ca 0.54 -0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 59.83 1djm h MET 17 Cb 1.11 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.82 1djm h MET 17 CO -0.28 0.22 -0.48 0.07 0.23 0.00 0.00 176.91 176.67 1djm h ARG 18 N 0.34 0.00 -0.76 0.39 0.11 -0.28 -0.16 114.38 114.01 1djm h ARG 18 Ca 0.16 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.21 1djm h ARG 18 Cb 0.10 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.15 1djm h ARG 18 CO -0.14 0.48 0.35 0.00 0.10 0.00 0.00 179.97 180.77 1djm h ARG 19 N 0.00 1.11 0.62 0.08 2.47 -0.55 0.68 114.38 118.79 1djm h ARG 19 Ca -0.00 -0.17 -0.03 0.00 -1.26 0.00 0.00 59.98 58.51 1djm h ARG 19 Cb 1.02 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.14 1djm h ARG 19 CO 0.06 0.88 -0.32 0.82 0.56 0.00 0.00 179.97 181.96 1djm h ILE 20 N 1.08 0.00 -0.81 2.04 5.03 -0.20 -1.80 117.51 122.86 1djm h ILE 20 Ca 0.26 0.00 0.11 0.00 -0.12 0.00 0.00 64.86 65.11 1djm h ILE 20 Cb 0.14 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 33.85 1djm h ILE 20 CO -0.03 0.00 0.45 0.58 -0.68 0.00 0.00 178.15 178.47 1djm h VAL 21 N -0.86 0.86 -0.08 1.67 2.07 -0.86 0.54 116.25 119.59 1djm h VAL 21 Ca -0.08 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1djm h VAL 21 Cb 0.67 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1djm h VAL 21 CO 0.12 0.13 0.05 -0.09 0.02 0.00 0.00 177.57 177.80 1djm h ARG 22 N 0.73 0.10 -0.20 1.57 2.43 -0.91 -0.49 114.38 117.61 1djm h ARG 22 Ca 0.40 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.62 1djm h ARG 22 Cb 0.42 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.88 1djm h ARG 22 CO -0.27 0.10 -0.31 -0.97 -1.51 0.00 0.00 179.97 177.00 1djm h ASN 23 N 0.08 -0.99 -0.80 -3.80 -0.73 -0.16 0.02 115.58 109.21 1djm h ASN 23 Ca 0.03 0.15 0.08 0.00 1.87 0.00 0.00 56.30 58.43 1djm h ASN 23 Cb 0.02 0.43 -0.07 0.00 0.27 0.00 0.00 38.32 38.97 1djm h ASN 23 CO -0.01 -0.34 0.46 -0.07 -0.37 0.00 0.00 177.43 177.10 1djm h LEU 24 N -0.35 0.68 -0.18 0.34 3.38 -0.64 -0.63 115.31 117.90 1djm h LEU 24 Ca 0.12 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1djm h LEU 24 Cb 0.53 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1djm h LEU 24 CO -0.39 0.40 0.06 -0.07 0.09 0.00 0.00 178.44 178.53 1djm h LEU 25 N 0.80 0.26 -1.46 1.67 3.38 -0.79 -3.17 115.31 116.00 1djm h LEU 25 Ca 0.37 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1djm h LEU 25 Cb 0.29 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1djm h LEU 25 CO -0.22 0.39 0.00 0.11 0.09 0.00 0.00 178.44 178.80 1djm h LYS 26 N 0.12 0.00 -0.26 1.13 1.79 0.26 -0.85 116.57 118.76 1djm h LYS 26 Ca 0.06 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.50 1djm h LYS 26 Cb 0.22 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 1djm h LYS 26 CO -0.00 0.00 0.02 0.93 -1.08 0.00 0.00 179.45 179.32 1djm h GLU 27 N 0.00 0.38 0.00 3.15 4.39 -1.14 -3.24 114.58 118.11 1djm h GLU 27 Ca 0.00 -0.06 -0.16 0.00 0.34 0.00 0.00 59.36 59.48 1djm h GLU 27 Cb 0.46 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1djm h GLU 27 CO 0.00 0.39 -0.89 -0.07 -1.16 0.00 0.00 179.01 177.28 1djm h LEU 28 N 0.37 0.00 0.00 1.33 3.38 -1.35 -3.51 115.31 115.53 1djm h LEU 28 Ca 0.09 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1djm h LEU 28 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1djm h LEU 28 CO 0.00 1.33 0.00 0.61 0.09 0.00 0.00 178.44 180.48 1djm n GLY 29 N 1.49 -1.50 3.80 0.83 0.00 -0.44 -5.09 105.19 104.27 1djm n GLY 29 Ca -0.25 0.61 -0.29 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.33 0.84 1.61 3.72 -1.26 -4.12 117.46 116.91 1djm n PHE 30 Ca 0.00 0.33 0.06 0.00 -0.05 0.00 0.00 57.45 57.79 1djm n PHE 30 Cb 0.00 -2.19 0.34 0.00 -0.94 0.00 0.00 39.48 36.69 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 -1.74 0.00 -3.67 4.37 0.23 -1.26 -4.32 115.26 108.87 1djm n ASN 31 Ca -0.17 -0.48 -0.29 0.00 -0.53 0.00 0.00 54.58 53.10 1djm n ASN 31 Cb 0.50 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 38.05 1djm n ASN 31 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1djm s ASN 32 N -1.94 3.81 -0.48 0.53 3.84 -1.26 -5.08 114.94 114.37 1djm s ASN 32 Ca 0.17 -1.48 0.04 0.00 0.21 0.00 0.00 52.86 51.80 1djm s ASN 32 Cb 0.08 -0.68 0.13 0.00 -0.55 0.00 0.00 41.25 40.23 1djm s ASN 32 CO 0.13 -0.42 0.22 -0.69 -2.79 0.00 0.00 177.10 173.56 1djm s VAL 33 N 1.79 2.34 0.93 -5.21 1.01 -1.26 -1.10 120.40 118.90 1djm s VAL 33 Ca 0.09 -3.04 -0.11 0.00 0.00 0.00 0.00 61.98 58.91 1djm s VAL 33 Cb -0.17 -2.64 0.15 0.00 0.00 0.00 0.00 36.38 33.72 1djm s VAL 33 CO -0.28 -0.78 1.09 -0.70 0.00 0.00 0.00 175.10 174.42 1djm s GLU 34 N -0.00 0.96 0.21 2.72 2.56 0.03 -4.92 118.70 120.26 1djm s GLU 34 Ca 0.16 0.98 0.02 0.00 0.00 0.00 0.00 54.97 56.13 1djm s GLU 34 Cb -0.25 -1.76 -0.05 0.00 2.00 0.00 0.00 34.13 34.07 1djm s GLU 34 CO -0.02 -2.49 0.03 -1.83 -0.56 0.00 0.00 175.26 170.39 1djm s GLU 35 N -4.81 1.25 0.53 4.30 1.03 -1.26 -1.16 118.70 118.59 1djm s GLU 35 Ca 0.65 -1.64 0.04 0.00 0.03 0.00 0.00 54.97 54.05 1djm s GLU 35 Cb -0.20 -0.35 0.02 0.00 -0.80 0.00 0.00 34.13 32.80 1djm s GLU 35 CO 0.58 -0.17 0.26 0.00 -1.33 0.00 0.00 175.26 174.60 1djm s ALA 36 N -3.63 4.33 -0.02 -0.84 0.00 -0.82 -4.84 121.76 115.94 1djm s ALA 36 Ca 0.29 -0.92 -0.20 0.00 0.00 0.00 0.00 51.96 51.13 1djm s ALA 36 Cb 0.06 -0.46 -0.32 0.00 0.00 0.00 0.00 23.12 22.41 1djm s ALA 36 CO 0.08 -0.29 0.95 0.93 0.00 0.00 0.00 175.76 177.42 1djm h GLU 37 N 0.96 0.39 -2.28 0.00 5.08 -1.90 -3.46 114.58 113.38 1djm h GLU 37 Ca -0.39 -0.64 0.14 0.00 -1.00 0.00 0.00 59.36 57.47 1djm h GLU 37 Cb 1.31 0.23 -0.12 0.00 0.50 0.00 0.00 28.75 30.67 1djm h GLU 37 CO 0.63 1.30 0.50 0.34 -1.00 0.00 0.00 179.01 180.78 1djm s ASP 38 N -7.15 -0.28 0.34 1.42 2.15 -1.26 -4.98 116.67 106.91 1djm s ASP 38 Ca -0.12 -0.16 0.13 0.00 0.43 0.00 0.00 52.55 52.84 1djm s ASP 38 Cb 0.02 0.42 1.01 0.00 -0.30 0.00 0.00 42.92 44.07 1djm s ASP 38 CO 0.87 -0.72 1.70 1.23 -0.17 0.00 0.00 175.17 178.09 1djm h GLY 39 N 2.00 1.87 0.93 2.66 0.00 -1.90 0.35 103.07 108.98 1djm h GLY 39 Ca -0.23 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1djm h GLY 39 CO 0.29 -0.33 -0.06 -2.08 0.00 0.00 0.00 176.54 174.36 1djm h VAL 40 N 0.44 0.87 0.00 4.60 2.07 -1.96 -1.51 116.25 120.76 1djm h VAL 40 Ca 0.68 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 68.15 1djm h VAL 40 Cb 1.48 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1djm h VAL 40 CO -0.50 0.00 -0.22 -0.78 0.02 0.00 0.00 177.57 176.09 1djm h ASP 41 N -0.13 0.00 0.46 0.57 3.58 -1.58 -2.88 116.42 116.44 1djm h ASP 41 Ca 0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1djm h ASP 41 Cb 0.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.18 1djm h ASP 41 CO -0.02 0.22 -0.22 0.00 -2.88 0.00 0.00 179.24 176.34 1djm h ALA 42 N 1.78 -0.62 -1.00 -0.78 0.00 0.61 0.93 119.26 120.19 1djm h ALA 42 Ca -0.00 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1djm h ALA 42 Cb 0.53 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 1djm h ALA 42 CO 0.03 -0.83 0.66 1.25 0.00 0.00 0.00 179.25 180.35 1djm h LEU 43 N -0.64 1.10 -0.43 0.00 5.85 -1.26 -1.54 115.31 118.39 1djm h LEU 43 Ca -0.06 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.70 1djm h LEU 43 Cb 0.48 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 1djm h LEU 43 CO 0.10 0.76 0.15 -1.13 -0.34 0.00 0.00 178.44 177.98 1djm h ASN 44 N 1.28 0.16 -0.15 1.25 -0.73 -1.26 -1.82 115.58 114.32 1djm h ASN 44 Ca 0.39 0.05 0.01 0.00 1.87 0.00 0.00 56.30 58.62 1djm h ASN 44 Cb -0.02 0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.59 1djm h ASN 44 CO -0.12 0.13 0.07 0.11 -0.37 0.00 0.00 177.43 177.25 1djm h LYS 45 N 0.32 0.15 -0.95 6.67 1.79 0.11 -2.56 116.57 122.10 1djm h LYS 45 Ca 0.20 -0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.71 1djm h LYS 45 Cb 0.19 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 30.75 1djm h LYS 45 CO -0.20 0.10 0.62 -0.07 -1.08 0.00 0.00 179.45 178.82 1djm h LEU 46 N 0.16 1.00 -0.01 2.94 3.38 -0.94 0.12 115.31 121.95 1djm h LEU 46 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1djm h LEU 46 Cb 0.01 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1djm h LEU 46 CO -0.04 0.66 0.00 0.00 0.09 0.00 0.00 178.44 179.15 1djm n GLN 47 N -4.47 0.81 -0.10 1.13 6.02 -0.72 -2.21 117.38 117.84 1djm n GLN 47 Ca 0.14 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 57.07 1djm n GLN 47 Cb 0.15 -1.00 0.14 0.00 1.02 0.00 0.00 30.24 30.55 1djm n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1djm h ALA 48 N 2.62 1.02 0.00 -1.58 0.00 -0.51 -3.48 119.26 117.33 1djm h ALA 48 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1djm h ALA 48 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1djm h ALA 48 CO 0.00 0.59 0.00 0.41 0.00 0.00 0.00 179.25 180.25 1djm n GLY 49 N -0.49 0.33 0.00 0.00 0.00 -0.94 -5.09 105.19 99.00 1djm n GLY 49 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.72 3.94 -0.02 0.00 -1.23 -5.13 105.19 101.03 1djm n GLY 50 Ca 0.00 0.98 -0.24 0.00 0.00 0.00 0.00 46.02 46.75 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 3.30 -0.19 1.61 1.51 -1.26 -4.70 117.35 117.62 1djm s TYR 51 Ca 0.00 0.40 -0.00 0.00 -1.01 0.00 0.00 57.07 56.45 1djm s TYR 51 Cb 0.00 -2.35 -0.22 0.00 -0.11 0.00 0.00 41.96 39.28 1djm s TYR 51 CO 0.00 -0.39 0.09 0.41 -1.11 0.00 0.00 175.55 174.55 1djm n GLY 52 N -2.17 -0.52 3.06 0.71 0.00 0.15 -4.91 105.19 101.51 1djm n GLY 52 Ca 0.01 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.54 0.17 -0.57 1.61 0.40 -1.25 -4.45 117.98 111.36 1djm s PHE 53 Ca -0.27 -0.39 0.05 0.00 -0.60 0.00 0.00 56.93 55.72 1djm s PHE 53 Cb 0.08 -0.13 0.18 0.00 0.51 0.00 0.00 43.02 43.65 1djm s PHE 53 CO 0.70 -0.27 0.45 0.28 0.70 0.00 0.00 175.22 177.08 1djm n VAL 54 N 1.34 0.38 -3.47 -0.44 0.31 -0.89 -1.54 118.33 114.02 1djm n VAL 54 Ca -0.22 -4.25 -0.39 0.00 -0.01 0.00 0.00 64.34 59.48 1djm n VAL 54 Cb 0.56 -1.95 -0.10 0.00 -0.91 0.00 0.00 33.84 31.44 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 -0.87 5.23 0.07 2.52 1.01 -0.46 -1.65 121.20 127.04 1djm s ILE 55 Ca 0.30 0.42 -0.15 0.00 0.00 0.00 0.00 60.65 61.21 1djm s ILE 55 Cb 0.01 -3.63 0.03 0.00 0.01 0.00 0.00 42.46 38.88 1djm s ILE 55 CO -0.17 0.21 0.35 -0.44 0.00 0.00 0.00 174.94 174.89 1djm s SER 56 N 1.61 -0.18 0.85 3.58 0.01 -0.60 -0.56 113.70 118.41 1djm s SER 56 Ca 0.12 -0.20 -0.12 0.00 1.31 0.00 0.00 55.95 57.06 1djm s SER 56 Cb -0.16 0.41 0.10 0.00 0.21 0.00 0.00 66.02 66.58 1djm s SER 56 CO 0.10 -0.70 1.13 -0.62 0.41 0.00 0.00 173.24 173.56 1djm s ASP 57 N -2.30 4.02 -0.13 2.44 2.15 -0.27 -0.86 116.67 121.73 1djm s ASP 57 Ca -0.02 1.02 -0.12 0.00 0.43 0.00 0.00 52.55 53.86 1djm s ASP 57 Cb 0.00 -1.63 -0.10 0.00 -0.30 0.00 0.00 42.92 40.89 1djm s ASP 57 CO -0.06 -2.23 0.22 -0.25 -0.17 0.00 0.00 175.17 172.68 1djm h TRP 58 N -1.28 0.00 -1.66 -5.34 2.91 -1.90 -3.35 115.95 105.33 1djm h TRP 58 Ca -0.49 0.00 -0.77 0.00 1.13 0.00 0.00 58.89 58.77 1djm h TRP 58 Cb 1.31 0.00 -0.18 0.00 -0.51 0.00 0.00 29.16 29.79 1djm h TRP 58 CO 0.35 0.42 1.83 0.27 -1.03 0.00 0.00 178.44 180.28 1djm n ASN 59 N -4.68 6.13 -4.76 2.65 2.04 -1.26 -0.66 115.26 114.72 1djm n ASN 59 Ca -0.07 -3.21 -0.37 0.00 -0.44 0.00 0.00 54.58 50.49 1djm n ASN 59 Cb 0.24 -1.39 0.01 0.00 -2.53 0.00 0.00 39.78 36.10 1djm n ASN 59 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 1djm s MET 60 N -0.84 3.41 0.00 -3.83 -1.94 -1.26 -4.93 119.30 109.91 1djm s MET 60 Ca 0.41 1.86 0.10 0.00 -1.71 0.00 0.00 55.69 56.35 1djm s MET 60 Cb 0.11 -2.22 0.48 0.00 2.01 0.00 0.00 34.83 35.21 1djm s MET 60 CO -0.01 -0.86 1.21 -0.35 -0.01 0.00 0.00 175.02 175.00 1djm n PRO 61 N -0.94 0.12 0.00 2.03 -0.04 -1.26 -4.46 135.00 130.45 1djm n PRO 61 Ca 0.10 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 1djm n PRO 61 Cb 0.48 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 1djm n PRO 61 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1djm n ASN 62 N -1.32 0.00 -4.53 3.54 2.85 -1.26 -5.01 115.26 109.53 1djm n ASN 62 Ca 0.04 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.10 1djm n ASN 62 Cb 0.08 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.07 1djm n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 1djm s MET 63 N 0.00 3.35 0.79 1.20 1.75 -1.26 -5.01 119.30 120.11 1djm s MET 63 Ca 0.00 -0.75 -0.15 0.00 -1.25 0.00 0.00 55.69 53.54 1djm s MET 63 Cb 0.00 -4.64 -0.03 0.00 2.84 0.00 0.00 34.83 33.01 1djm s MET 63 CO 0.00 -2.09 0.42 -0.25 -0.65 0.00 0.00 175.02 172.45 1djm n ASP 64 N 8.73 -1.72 0.24 1.11 9.92 -1.26 -4.34 116.55 129.23 1djm n ASP 64 Ca 0.14 0.50 0.18 0.00 -0.53 0.00 0.00 54.79 55.07 1djm n ASP 64 Cb 0.49 -1.18 0.88 0.00 -0.64 0.00 0.00 41.12 40.67 1djm n ASP 64 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1djm h GLY 65 N -0.72 0.00 1.57 0.44 0.00 -1.03 0.35 103.07 103.68 1djm h GLY 65 Ca -0.45 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 46.65 1djm h GLY 65 CO 0.39 0.00 -1.00 -2.00 0.00 0.00 0.00 176.54 173.94 1djm h LEU 66 N 0.00 0.50 -0.36 3.11 7.12 -1.88 -1.65 115.31 122.15 1djm h LEU 66 Ca 0.06 -0.42 -0.16 0.00 0.13 0.00 0.00 57.88 57.49 1djm h LEU 66 Cb 0.43 -0.15 -0.00 0.00 -0.53 0.00 0.00 40.66 40.40 1djm h LEU 66 CO -0.00 1.24 -0.40 -0.33 -0.13 0.00 0.00 178.44 178.81 1djm h GLU 67 N 0.19 0.92 0.12 1.25 4.39 -1.33 0.01 114.58 120.13 1djm h GLU 67 Ca -0.09 -0.50 0.02 0.00 0.34 0.00 0.00 59.36 59.13 1djm h GLU 67 Cb 1.65 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 30.29 1djm h GLU 67 CO 0.17 1.15 -0.24 1.25 -1.16 0.00 0.00 179.01 180.18 1djm h LEU 68 N 0.73 -0.67 0.21 1.33 5.85 -1.11 0.19 115.31 121.83 1djm h LEU 68 Ca 0.05 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.86 1djm h LEU 68 Cb 1.00 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.25 1djm h LEU 68 CO 0.10 -0.33 -0.45 0.25 -0.34 0.00 0.00 178.44 177.67 1djm h LEU 69 N -0.44 -1.32 -1.74 2.25 5.85 -1.22 -0.81 115.31 117.89 1djm h LEU 69 Ca 0.03 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1djm h LEU 69 Cb 0.46 0.48 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 1djm h LEU 69 CO -0.13 -0.54 0.06 0.11 -0.34 0.00 0.00 178.44 177.60 1djm h LYS 70 N -0.75 0.23 -0.09 1.25 1.57 -0.77 0.17 116.57 118.18 1djm h LYS 70 Ca -0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1djm h LYS 70 Cb 0.73 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 1djm h LYS 70 CO -0.20 0.20 0.01 1.15 -0.57 0.00 0.00 179.45 180.03 1djm h THR 71 N 0.23 1.22 -0.52 -0.16 2.02 -0.65 -2.56 112.91 112.49 1djm h THR 71 Ca 0.06 -0.68 0.02 0.00 0.77 0.00 0.00 66.41 66.58 1djm h THR 71 Cb 0.06 1.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 1djm h THR 71 CO -0.01 0.19 0.32 0.40 0.37 0.00 0.00 175.52 176.80 1djm h ILE 72 N -0.09 1.08 0.00 3.11 2.04 0.28 -1.31 117.51 122.61 1djm h ILE 72 Ca 0.03 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1djm h ILE 72 Cb 0.29 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1djm h ILE 72 CO 0.00 0.12 0.00 0.54 0.00 0.00 0.00 178.15 178.81 1djm n ARG 73 N -4.77 0.08 0.23 2.37 5.12 0.46 -2.63 116.66 117.52 1djm n ARG 73 Ca 0.03 0.25 0.15 0.00 -1.93 0.00 0.00 57.85 56.36 1djm n ARG 73 Cb 0.06 -1.50 0.81 0.00 -1.16 0.00 0.00 32.46 30.67 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 2.36 1.00 -2.79 7.54 0.00 -0.80 -3.49 119.26 123.08 1djm h ALA 74 Ca 0.00 0.00 0.32 0.00 0.00 0.00 0.00 54.91 55.23 1djm h ALA 74 Cb 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.79 1djm h ALA 74 CO 0.00 0.00 -0.60 -3.47 0.00 0.00 0.00 179.25 175.18 1djm n ASP 75 N -2.57 -7.31 0.00 0.00 2.03 -1.08 -4.89 116.55 102.73 1djm n ASP 75 Ca -0.02 0.68 0.00 0.00 0.52 0.00 0.00 54.79 55.97 1djm n ASP 75 Cb 0.07 -3.83 0.00 0.00 -0.72 0.00 0.00 41.12 36.64 1djm n ASP 75 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1djm n GLY 76 N -3.89 2.47 0.00 0.27 0.00 -1.26 -4.52 105.19 98.26 1djm n GLY 76 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.20 0.48 -1.26 4.61 0.00 -1.26 -4.97 120.51 118.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.40 0.00 -0.28 0.00 2.81 -1.26 -5.03 117.12 112.96 1djm n MET 78 Ca 0.00 -0.23 -0.08 0.00 -1.81 0.00 0.00 57.70 55.58 1djm n MET 78 Cb 0.00 -0.37 -0.04 0.00 -0.71 0.00 0.00 33.22 32.10 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 -1.67 0.79 7.83 0.02 -1.86 -1.28 113.55 117.38 1djm h SER 79 Ca 0.00 0.28 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1djm h SER 79 Cb 0.82 0.77 0.00 0.00 0.14 0.00 0.00 62.40 64.12 1djm h SER 79 CO 0.00 -0.31 0.00 0.00 -1.14 0.00 0.00 176.83 175.38 1djm n ALA 80 N -3.23 2.05 -1.65 3.77 0.00 -1.26 -4.73 120.51 115.46 1djm n ALA 80 Ca 0.03 -0.08 -0.46 0.00 0.00 0.00 0.00 53.44 52.93 1djm n ALA 80 Cb 0.34 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.50 3.52 -4.55 0.00 4.77 -0.49 -4.88 117.00 113.87 1djm n LEU 81 Ca 0.06 0.80 -0.39 0.00 -0.03 0.00 0.00 56.01 56.44 1djm n LEU 81 Cb 0.27 -1.43 -0.03 0.00 -2.33 0.00 0.00 43.42 39.90 1djm n LEU 81 CO 0.21 -0.13 1.61 -2.16 -1.33 0.00 0.00 177.39 175.59 1djm s PRO 82 N 4.71 2.68 0.02 3.23 0.04 -1.26 -4.92 135.00 139.49 1djm s PRO 82 Ca 0.94 0.69 -0.30 0.00 0.04 0.00 0.00 61.00 62.37 1djm s PRO 82 Cb -0.58 -4.37 -0.04 0.00 0.04 0.00 0.00 34.50 29.55 1djm s PRO 82 CO 0.47 -2.67 0.98 0.14 0.04 0.00 0.00 177.00 175.96 1djm s VAL 83 N 8.94 4.80 -0.19 -0.36 -7.23 -1.26 -2.10 120.40 123.01 1djm s VAL 83 Ca 0.69 2.06 -0.01 0.00 -1.81 0.00 0.00 61.98 62.91 1djm s VAL 83 Cb -0.13 -4.32 0.05 0.00 0.56 0.00 0.00 36.38 32.54 1djm s VAL 83 CO 0.22 0.19 -0.01 -0.22 -0.31 0.00 0.00 175.10 174.97 1djm s LEU 84 N 0.82 1.56 -0.80 1.32 2.96 -0.66 -0.79 118.68 123.09 1djm s LEU 84 Ca 0.51 -0.80 -0.24 0.00 -0.22 0.00 0.00 54.13 53.38 1djm s LEU 84 Cb -0.21 -0.80 0.05 0.00 0.50 0.00 0.00 46.19 45.73 1djm s LEU 84 CO 0.28 -0.25 1.22 -0.04 -1.32 0.00 0.00 176.35 176.24 1djm s MET 85 N 1.70 3.29 -0.43 1.98 -1.94 -0.67 -1.56 119.30 121.67 1djm s MET 85 Ca -0.01 -0.73 -0.15 0.00 -1.71 0.00 0.00 55.69 53.09 1djm s MET 85 Cb -0.17 -4.52 0.04 0.00 2.01 0.00 0.00 34.83 32.20 1djm s MET 85 CO -0.07 -2.04 0.33 0.08 -0.01 0.00 0.00 175.02 173.31 1djm s VAL 86 N 4.85 5.20 0.22 -6.03 1.01 -0.04 -0.13 120.40 125.48 1djm s VAL 86 Ca 0.34 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 61.31 1djm s VAL 86 Cb -0.08 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.32 1djm s VAL 86 CO 0.06 -0.42 0.52 0.28 0.00 0.00 0.00 175.10 175.54 1djm s THR 87 N 1.65 0.02 -0.36 3.92 -1.32 -0.34 -3.37 115.64 115.84 1djm s THR 87 Ca 0.04 -1.07 0.23 0.00 -1.21 0.00 0.00 61.69 59.68 1djm s THR 87 Cb -0.21 -1.87 0.30 0.00 -1.51 0.00 0.00 72.50 69.21 1djm s THR 87 CO 0.08 -0.08 1.61 0.00 -2.21 0.00 0.00 174.62 174.03 1djm h ALA 88 N 2.21 0.96 -1.16 11.08 0.00 -1.95 0.50 119.26 130.90 1djm h ALA 88 Ca -0.27 -0.07 -0.50 0.00 0.00 0.00 0.00 54.91 54.08 1djm h ALA 88 Cb 1.25 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.96 1djm h ALA 88 CO 0.35 0.09 1.19 -1.21 0.00 0.00 0.00 179.25 179.67 1djm s GLU 89 N -3.21 3.09 -0.02 0.00 0.41 -1.26 -4.64 118.70 113.07 1djm s GLU 89 Ca 0.06 -0.41 0.03 0.00 -0.41 0.00 0.00 54.97 54.24 1djm s GLU 89 Cb 0.06 -4.81 0.13 0.00 -1.78 0.00 0.00 34.13 27.73 1djm s GLU 89 CO 0.67 -2.54 0.91 0.00 -0.49 0.00 0.00 175.26 173.82 1djm n ALA 90 N 10.78 2.61 -1.67 5.21 0.00 -1.26 -4.86 120.51 131.32 1djm n ALA 90 Ca 0.24 -0.29 -0.49 0.00 0.00 0.00 0.00 53.44 52.91 1djm n ALA 90 Cb 0.50 -1.01 -0.05 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 -0.00 2.03 -0.25 0.00 3.00 -1.26 -4.87 118.16 116.81 1djm n LYS 91 Ca 0.05 0.73 -0.01 0.00 -0.00 0.00 0.00 58.31 59.07 1djm n LYS 91 Cb 0.26 -2.62 0.10 0.00 0.00 0.00 0.00 35.03 32.77 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 9.55 0.76 0.00 1.64 6.56 -2.00 -0.30 116.57 132.79 1djm h LYS 92 Ca -0.47 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.07 1djm h LYS 92 Cb 1.28 -0.17 -0.00 0.00 -0.57 0.00 0.00 32.23 32.76 1djm h LYS 92 CO 0.96 0.50 -0.03 0.93 -2.06 0.00 0.00 179.45 179.74 1djm h GLU 93 N 0.78 0.00 -0.25 3.15 3.07 -1.99 0.20 114.58 119.54 1djm h GLU 93 Ca 0.31 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.11 1djm h GLU 93 Cb 0.15 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1djm h GLU 93 CO -0.16 0.03 -0.08 -0.91 -1.40 0.00 0.00 179.01 176.49 1djm h ASN 94 N 0.00 0.50 -0.37 1.42 4.21 -1.46 0.13 115.58 120.01 1djm h ASN 94 Ca -0.00 -0.38 0.05 0.00 1.21 0.00 0.00 56.30 57.18 1djm h ASN 94 Cb 0.06 -0.14 -0.05 0.00 -1.12 0.00 0.00 38.32 37.08 1djm h ASN 94 CO 0.00 0.76 0.08 0.40 -1.29 0.00 0.00 177.43 177.38 1djm h ILE 95 N 0.23 0.82 0.21 2.81 5.03 -0.12 0.87 117.51 127.36 1djm h ILE 95 Ca 0.06 -0.07 0.01 0.00 -0.12 0.00 0.00 64.86 64.74 1djm h ILE 95 Cb 0.55 0.60 -0.03 0.00 -3.03 0.00 0.00 36.82 34.92 1djm h ILE 95 CO 0.03 0.04 -0.29 0.40 -0.68 0.00 0.00 178.15 177.65 1djm h ILE 96 N 0.20 0.38 -0.48 -0.67 5.03 -0.97 -1.46 117.51 119.55 1djm h ILE 96 Ca 0.17 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 65.00 1djm h ILE 96 Cb 0.20 0.38 -0.07 0.00 -3.03 0.00 0.00 36.82 34.30 1djm h ILE 96 CO -0.23 0.00 0.07 0.00 -0.68 0.00 0.00 178.15 177.32 1djm h ALA 97 N 0.07 0.51 0.17 1.87 0.00 -0.09 0.13 119.26 121.93 1djm h ALA 97 Ca 0.01 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1djm h ALA 97 Cb 0.55 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1djm h ALA 97 CO -0.11 -0.33 -0.19 0.00 0.00 0.00 0.00 179.25 178.62 1djm h ALA 98 N 1.38 -0.37 -0.42 0.00 0.00 -0.74 0.18 119.26 119.29 1djm h ALA 98 Ca 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1djm h ALA 98 Cb 0.33 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1djm h ALA 98 CO -0.33 -0.74 0.26 0.00 0.00 0.00 0.00 179.25 178.44 1djm h ALA 99 N 0.36 0.54 -0.04 0.00 0.00 -0.14 0.18 119.26 120.16 1djm h ALA 99 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1djm h ALA 99 Cb 0.39 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1djm h ALA 99 CO -0.07 0.02 0.02 1.96 0.00 0.00 0.00 179.25 181.18 1djm h GLN 100 N 0.56 0.04 -0.11 0.00 1.08 -0.73 -2.70 115.11 113.26 1djm h GLN 100 Ca 0.15 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.33 1djm h GLN 100 Cb -0.03 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 1djm h GLN 100 CO -0.03 0.03 -0.01 0.00 -0.95 0.00 0.00 178.83 177.87 1djm h ALA 101 N 1.02 1.78 0.00 3.87 0.00 -0.33 -3.47 119.26 122.13 1djm h ALA 101 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1djm h ALA 101 Cb -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1djm h ALA 101 CO -0.01 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.82 1djm n GLY 102 N -1.29 1.60 3.76 0.00 0.00 -0.03 -4.80 105.19 104.44 1djm n GLY 102 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 3.68 0.25 4.61 0.00 0.42 -4.86 121.76 123.87 1djm s ALA 103 Ca 0.00 1.56 0.37 0.00 0.00 0.00 0.00 51.96 53.88 1djm s ALA 103 Cb 0.00 -3.63 1.69 0.00 0.00 0.00 0.00 23.12 21.18 1djm s ALA 103 CO 0.00 -0.99 2.09 0.66 0.00 0.00 0.00 175.76 177.52 1djm h SER 104 N 4.23 0.00 -5.88 0.00 4.64 -1.30 -3.44 113.55 111.79 1djm h SER 104 Ca -0.48 0.00 0.36 0.00 -0.47 0.00 0.00 61.79 61.20 1djm h SER 104 Cb 1.23 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.23 1djm h SER 104 CO 0.74 0.00 0.93 -0.83 -0.87 0.00 0.00 176.83 176.80 1djm s GLY 105 N -4.12 -0.24 -0.02 -0.77 0.00 -1.21 -4.89 107.32 96.06 1djm s GLY 105 Ca -0.01 0.29 0.04 0.00 0.00 0.00 0.00 44.72 45.04 1djm s GLY 105 CO 0.48 4.35 -0.14 -0.47 0.00 0.00 0.00 173.10 177.33 1djm s TYR 106 N -2.08 1.33 -0.41 1.90 6.14 -1.26 -1.68 117.35 121.29 1djm s TYR 106 Ca 0.26 -0.31 0.02 0.00 0.64 0.00 0.00 57.07 57.68 1djm s TYR 106 Cb 0.02 -0.88 0.15 0.00 0.42 0.00 0.00 41.96 41.66 1djm s TYR 106 CO -0.02 -0.08 0.28 0.08 0.64 0.00 0.00 175.55 176.45 1djm s VAL 107 N -0.11 0.60 0.41 3.14 1.01 0.82 -4.93 120.40 121.34 1djm s VAL 107 Ca 0.01 -2.37 -0.25 0.00 0.00 0.00 0.00 61.98 59.37 1djm s VAL 107 Cb -0.08 -1.42 -0.08 0.00 0.00 0.00 0.00 36.38 34.80 1djm s VAL 107 CO 0.00 -1.07 1.16 -0.69 0.00 0.00 0.00 175.10 174.50 1djm s VAL 108 N 0.41 3.19 0.78 2.92 1.01 -1.26 -1.20 120.40 126.24 1djm s VAL 108 Ca 0.24 0.97 -0.15 0.00 0.00 0.00 0.00 61.98 63.04 1djm s VAL 108 Cb -0.12 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1djm s VAL 108 CO -0.08 0.06 0.72 2.29 0.00 0.00 0.00 175.10 178.09 1djm n LYS 109 N -0.08 0.22 -2.53 2.72 -0.00 0.17 -4.35 118.16 114.32 1djm n LYS 109 Ca 0.05 0.13 -0.37 0.00 -0.00 0.00 0.00 58.31 58.12 1djm n LYS 109 Cb 0.47 -2.03 -0.04 0.00 -0.00 0.00 0.00 35.03 33.44 1djm n LYS 109 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1djm s PRO 110 N -3.27 4.20 0.07 -1.58 0.04 -1.26 -5.00 135.00 128.19 1djm s PRO 110 Ca 0.67 1.55 0.04 0.00 0.04 0.00 0.00 61.00 63.30 1djm s PRO 110 Cb -0.31 -2.60 -0.03 0.00 0.04 0.00 0.00 34.50 31.60 1djm s PRO 110 CO 0.57 -0.12 -0.12 -0.59 0.04 0.00 0.00 177.00 176.78 1djm s PHE 111 N -1.61 1.07 0.22 0.56 -0.12 -1.26 -5.08 117.98 111.75 1djm s PHE 111 Ca 0.57 -0.50 -0.08 0.00 -0.05 0.00 0.00 56.93 56.87 1djm s PHE 111 Cb -0.23 -0.60 -0.02 0.00 -0.63 0.00 0.00 43.02 41.54 1djm s PHE 111 CO 0.29 0.02 0.34 0.95 -0.05 0.00 0.00 175.22 176.76 1djm s THR 112 N -1.47 0.01 0.40 -4.49 -4.23 -1.26 -5.02 115.64 99.57 1djm s THR 112 Ca -0.03 -1.61 0.08 0.00 -1.18 0.00 0.00 61.69 58.95 1djm s THR 112 Cb -0.09 -2.26 0.21 0.00 1.34 0.00 0.00 72.50 71.69 1djm s THR 112 CO 0.02 -0.03 1.98 0.00 -0.54 0.00 0.00 174.62 176.04 1djm h ALA 113 N 2.41 1.59 0.00 3.99 0.00 -1.97 0.43 119.26 125.72 1djm h ALA 113 Ca -0.30 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1djm h ALA 113 Cb 1.25 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1djm h ALA 113 CO 0.43 0.31 0.05 0.00 0.00 0.00 0.00 179.25 180.04 1djm h ALA 114 N 1.68 1.04 0.00 0.00 0.00 -1.96 0.71 119.26 120.73 1djm h ALA 114 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1djm h ALA 114 Cb 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1djm h ALA 114 CO -0.00 -0.04 -1.39 -2.37 0.00 0.00 0.00 179.25 175.45 1djm n THR 115 N -2.53 0.24 0.42 0.00 5.66 -0.23 -4.03 114.28 113.82 1djm n THR 115 Ca -0.02 -0.22 -0.19 0.00 -3.05 0.00 0.00 64.05 60.57 1djm n THR 115 Cb 0.10 -0.30 -0.09 0.00 -1.55 0.00 0.00 70.33 68.49 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 -0.88 -1.71 1.09 7.12 -0.52 -1.69 115.31 118.72 1djm h LEU 116 Ca -0.10 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 57.93 1djm h LEU 116 Cb 0.91 0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 41.26 1djm h LEU 116 CO 0.01 -0.63 0.08 1.05 -0.13 0.00 0.00 178.44 178.82 1djm h GLU 117 N -1.05 0.27 -0.05 1.25 -0.00 -1.12 0.35 114.58 114.23 1djm h GLU 117 Ca -0.11 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.36 59.22 1djm h GLU 117 Cb 0.80 -0.06 -0.00 0.00 -0.00 0.00 0.00 28.75 29.50 1djm h GLU 117 CO 0.18 0.22 -0.00 1.49 -0.00 0.00 0.00 179.01 180.90 1djm h GLU 118 N 0.27 0.08 -0.34 1.06 4.57 -1.67 0.16 114.58 118.71 1djm h GLU 118 Ca 0.07 -0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 58.10 1djm h GLU 118 Cb 0.05 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 1djm h GLU 118 CO -0.01 0.37 -0.30 0.87 -1.18 0.00 0.00 179.01 178.76 1djm h LYS 119 N -0.21 0.73 0.39 1.92 1.79 -0.69 -1.39 116.57 119.11 1djm h LYS 119 Ca 0.01 -0.33 -0.01 0.00 -2.18 0.00 0.00 60.65 58.15 1djm h LYS 119 Cb 0.33 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 1djm h LYS 119 CO 0.00 0.94 -0.39 -0.07 -1.08 0.00 0.00 179.45 178.85 1djm h LEU 120 N 0.62 -1.05 -0.73 2.94 3.38 -0.85 -1.56 115.31 118.06 1djm h LEU 120 Ca 0.07 0.09 0.15 0.00 0.09 0.00 0.00 57.88 58.28 1djm h LEU 120 Cb 0.82 0.35 -0.10 0.00 0.09 0.00 0.00 40.66 41.82 1djm h LEU 120 CO 0.07 -0.54 0.22 -1.13 0.09 0.00 0.00 178.44 177.15 1djm h ASN 121 N -0.80 0.12 -0.22 -0.43 -1.24 -0.56 0.21 115.58 112.66 1djm h ASN 121 Ca -0.03 0.13 0.01 0.00 0.71 0.00 0.00 56.30 57.11 1djm h ASN 121 Cb 0.72 0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.90 1djm h ASN 121 CO -0.06 0.02 0.13 0.11 -1.29 0.00 0.00 177.43 176.34 1djm h LYS 122 N 0.34 0.25 -0.01 6.67 1.57 -0.98 -0.93 116.57 123.49 1djm h LYS 122 Ca 0.40 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.99 1djm h LYS 122 Cb 0.65 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1djm h LYS 122 CO -0.45 0.17 -0.79 -0.84 -0.57 0.00 0.00 179.45 176.96 1djm h ILE 123 N 0.26 1.49 -0.19 1.86 3.07 -0.15 0.16 117.51 124.02 1djm h ILE 123 Ca 0.09 -2.50 0.04 0.00 1.55 0.00 0.00 64.86 64.04 1djm h ILE 123 Cb -0.00 2.36 -0.04 0.00 -0.27 0.00 0.00 36.82 38.87 1djm h ILE 123 CO -0.04 0.72 -0.08 -0.26 -1.05 0.00 0.00 178.15 177.44 1djm h PHE 124 N 0.09 -0.19 0.36 0.16 -1.00 -0.56 -1.56 116.94 114.24 1djm h PHE 124 Ca -0.03 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 1djm h PHE 124 Cb 1.38 0.11 0.00 0.00 3.61 0.00 0.00 35.95 41.06 1djm h PHE 124 CO 0.02 -0.13 -0.17 0.93 -1.61 0.00 0.00 178.31 177.35 1djm h GLU 125 N -0.06 -0.46 0.25 1.51 4.39 -1.12 -2.51 114.58 116.58 1djm h GLU 125 Ca 0.10 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 1djm h GLU 125 Cb 0.21 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1djm h GLU 125 CO -0.23 -0.18 -0.12 -0.22 -1.16 0.00 0.00 179.01 177.10 1djm h LYS 126 N -1.03 -0.32 0.00 2.33 3.11 -0.65 -3.14 116.57 116.88 1djm h LYS 126 Ca -0.05 0.02 -0.08 0.00 -2.81 0.00 0.00 60.65 57.74 1djm h LYS 126 Cb 0.49 0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.78 1djm h LYS 126 CO 0.08 -0.12 -0.36 -0.07 -2.81 0.00 0.00 179.45 176.17 1djm h LEU 127 N -1.05 0.00 -0.89 5.20 3.38 -1.50 -3.47 115.31 116.98 1djm h LEU 127 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1djm h LEU 127 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1djm h LEU 127 CO 0.06 0.36 0.00 0.61 0.09 0.00 0.00 178.44 179.56 1djm n GLY 128 N 0.13 0.93 0.00 0.83 0.00 -0.94 -5.04 105.19 101.11 1djm n GLY 128 Ca -0.00 -0.55 0.14 0.00 0.00 0.00 0.00 46.02 45.60 1djm n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35