#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 -3.72 -2.48 3.17 0.00 -1.26 -5.05 120.51 111.17 1djm n ALA 2 Ca 0.00 0.82 -0.24 0.00 0.00 0.00 0.00 53.44 54.02 1djm n ALA 2 Cb 0.00 -1.50 -0.07 0.00 0.00 0.00 0.00 19.45 17.88 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 -7.21 4.47 0.55 0.00 1.11 -1.26 -5.01 116.67 109.30 1djm s ASP 3 Ca 0.00 -0.96 0.28 0.00 0.18 0.00 0.00 52.55 52.05 1djm s ASP 3 Cb 0.00 -0.57 1.45 0.00 1.07 0.00 0.00 42.92 44.87 1djm s ASP 3 CO 0.00 -0.40 1.96 0.07 1.18 0.00 0.00 175.17 177.98 1djm h LYS 4 N 1.54 0.00 -6.99 8.23 2.10 -2.05 -3.46 116.57 115.93 1djm h LYS 4 Ca -0.43 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 57.63 1djm h LYS 4 Cb 1.25 0.00 -0.30 0.00 -0.90 0.00 0.00 32.23 32.28 1djm h LYS 4 CO 0.67 0.00 -0.89 0.39 -2.00 0.00 0.00 179.45 177.62 1djm n GLU 5 N -4.20 -0.81 -1.67 0.07 1.02 -1.26 -4.90 120.64 108.88 1djm n GLU 5 Ca 0.11 0.11 -0.42 0.00 -0.02 0.00 0.00 57.16 56.94 1djm n GLU 5 Cb 0.68 -4.04 -0.03 0.00 -0.02 0.00 0.00 31.44 28.03 1djm n GLU 5 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1djm s LEU 6 N -7.03 4.39 -0.06 -4.62 0.20 -1.26 -4.97 118.68 105.32 1djm s LEU 6 Ca 0.47 2.63 -0.19 0.00 0.69 0.00 0.00 54.13 57.73 1djm s LEU 6 Cb -0.27 -3.53 -0.05 0.00 -0.43 0.00 0.00 46.19 41.91 1djm s LEU 6 CO 0.97 -1.10 0.52 -0.75 -0.29 0.00 0.00 176.35 175.70 1djm s LYS 7 N 4.55 4.28 0.21 1.98 2.20 -0.90 -4.83 119.74 127.24 1djm s LYS 7 Ca 0.89 0.57 -0.30 0.00 -0.36 0.00 0.00 55.97 56.77 1djm s LYS 7 Cb -0.42 -3.38 -0.08 0.00 -1.51 0.00 0.00 37.83 32.44 1djm s LYS 7 CO 0.41 0.29 0.98 -0.06 -0.36 0.00 0.00 175.35 176.61 1djm s PHE 8 N 0.14 3.87 -0.10 4.03 0.40 -0.26 -1.35 117.98 124.70 1djm s PHE 8 Ca 0.28 1.84 -0.05 0.00 -0.60 0.00 0.00 56.93 58.40 1djm s PHE 8 Cb -0.17 -3.06 -0.04 0.00 0.51 0.00 0.00 43.02 40.27 1djm s PHE 8 CO 0.13 0.18 0.08 -1.17 0.70 0.00 0.00 175.22 175.15 1djm s LEU 9 N -0.90 4.02 -0.27 -0.37 2.96 0.42 -0.46 118.68 124.08 1djm s LEU 9 Ca 0.43 0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 54.65 1djm s LEU 9 Cb -0.27 -1.96 0.09 0.00 0.50 0.00 0.00 46.19 44.55 1djm s LEU 9 CO 0.33 0.40 0.08 -0.69 -1.32 0.00 0.00 176.35 175.14 1djm s VAL 10 N -0.97 0.66 -0.74 1.68 1.01 0.19 -1.35 120.40 120.89 1djm s VAL 10 Ca 0.14 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1djm s VAL 10 Cb -0.12 -1.39 0.33 0.00 0.00 0.00 0.00 36.38 35.20 1djm s VAL 10 CO 0.03 -0.53 1.24 0.52 0.00 0.00 0.00 175.10 176.36 1djm n VAL 11 N 4.96 4.10 -2.95 2.92 0.31 -0.03 -4.18 118.33 123.46 1djm n VAL 11 Ca -0.05 -5.72 -0.35 0.00 -0.01 0.00 0.00 64.34 58.21 1djm n VAL 11 Cb 0.44 -1.48 -0.06 0.00 -0.91 0.00 0.00 33.84 31.82 1djm n VAL 11 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1djm s ASP 12 N -2.72 7.09 0.00 4.52 -4.77 -1.26 -1.70 116.67 117.83 1djm s ASP 12 Ca 0.45 1.59 -0.25 0.00 -3.30 0.00 0.00 52.55 51.05 1djm s ASP 12 Cb 0.24 -2.49 -0.14 0.00 -1.09 0.00 0.00 42.92 39.44 1djm s ASP 12 CO -0.13 -0.11 1.06 -0.78 0.70 0.00 0.00 175.17 175.92 1djm h ASP 13 N 2.90 -0.65 -1.46 2.11 1.82 -1.93 -3.38 116.42 115.83 1djm h ASP 13 Ca -0.48 -0.03 -0.68 0.00 -0.39 0.00 0.00 57.03 55.46 1djm h ASP 13 Cb 1.19 0.17 -0.12 0.00 0.68 0.00 0.00 39.33 41.24 1djm h ASP 13 CO 0.64 -0.26 1.66 0.12 -1.61 0.00 0.00 179.24 179.80 1djm s PHE 14 N -4.45 2.97 0.58 0.28 5.36 -1.26 -4.89 117.98 116.58 1djm s PHE 14 Ca -0.13 -1.59 0.39 0.00 -0.96 0.00 0.00 56.93 54.64 1djm s PHE 14 Cb 0.01 -4.57 1.34 0.00 -0.34 0.00 0.00 43.02 39.47 1djm s PHE 14 CO 0.42 -1.68 1.44 1.03 -1.46 0.00 0.00 175.22 174.97 1djm h SER 15 N 8.04 0.00 -0.87 6.13 0.87 -2.02 0.33 113.55 126.04 1djm h SER 15 Ca 0.33 0.00 0.21 0.00 -1.23 0.00 0.00 61.79 61.10 1djm h SER 15 Cb 0.92 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 62.72 1djm h SER 15 CO 1.35 0.00 -0.03 0.74 -0.53 0.00 0.00 176.83 178.36 1djm h THR 16 N 0.00 0.19 -0.98 2.23 2.02 -1.94 0.17 112.91 114.60 1djm h THR 16 Ca 0.72 -0.02 0.21 0.00 0.77 0.00 0.00 66.41 68.09 1djm h THR 16 Cb 3.38 0.13 -0.09 0.00 -1.74 0.00 0.00 68.15 69.82 1djm h THR 16 CO -0.01 0.01 0.62 0.24 0.37 0.00 0.00 175.52 176.75 1djm h MET 17 N 0.06 0.56 -0.37 6.66 2.86 -0.72 0.09 114.93 124.07 1djm h MET 17 Ca 0.48 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 58.03 1djm h MET 17 Cb 0.89 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 1djm h MET 17 CO -0.80 0.37 -0.00 -0.09 1.06 0.00 0.00 176.91 177.44 1djm h ARG 18 N 0.58 0.65 0.40 1.72 1.12 -0.85 0.24 114.38 118.24 1djm h ARG 18 Ca 0.55 -0.21 -0.01 0.00 -1.11 0.00 0.00 59.98 59.20 1djm h ARG 18 Cb 1.11 -0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 30.99 1djm h ARG 18 CO -0.30 0.76 -0.43 -0.09 -3.11 0.00 0.00 179.97 176.81 1djm h ARG 19 N 0.46 -0.82 0.36 0.20 9.65 -0.98 -1.79 114.38 121.47 1djm h ARG 19 Ca 0.10 0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 59.03 1djm h ARG 19 Cb 0.47 0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 29.21 1djm h ARG 19 CO 0.02 -0.55 -0.44 0.82 2.80 0.00 0.00 179.97 182.62 1djm h ILE 20 N -0.85 0.00 -0.73 1.20 5.03 -0.62 -0.18 117.51 121.36 1djm h ILE 20 Ca -0.04 0.00 0.09 0.00 -0.12 0.00 0.00 64.86 64.80 1djm h ILE 20 Cb 0.76 0.00 -0.07 0.00 -3.03 0.00 0.00 36.82 34.48 1djm h ILE 20 CO -0.08 0.00 0.38 0.58 -0.68 0.00 0.00 178.15 178.35 1djm h VAL 21 N -0.82 0.86 -0.18 1.67 2.07 -0.57 0.22 116.25 119.50 1djm h VAL 21 Ca -0.04 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1djm h VAL 21 Cb 0.73 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1djm h VAL 21 CO -0.10 0.12 0.11 -0.09 0.02 0.00 0.00 177.57 177.63 1djm h ARG 22 N 0.64 0.24 -0.75 1.57 2.43 -1.02 -0.48 114.38 117.00 1djm h ARG 22 Ca 0.36 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.53 1djm h ARG 22 Cb 0.36 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 1djm h ARG 22 CO -0.26 0.17 0.48 -0.97 -1.51 0.00 0.00 179.97 177.88 1djm h ASN 23 N 0.23 0.81 -0.68 -3.80 -0.73 0.77 0.62 115.58 112.80 1djm h ASN 23 Ca 0.06 -0.01 -0.05 0.00 1.87 0.00 0.00 56.30 58.17 1djm h ASN 23 Cb -0.01 -0.19 -0.03 0.00 0.27 0.00 0.00 38.32 38.36 1djm h ASN 23 CO -0.01 0.57 0.23 -0.07 -0.37 0.00 0.00 177.43 177.78 1djm h LEU 24 N 0.96 0.97 -1.63 0.34 3.38 -0.48 -0.43 115.31 118.42 1djm h LEU 24 Ca 0.29 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1djm h LEU 24 Cb -0.05 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1djm h LEU 24 CO -0.09 0.91 -0.19 -0.07 0.09 0.00 0.00 178.44 179.09 1djm h LEU 25 N 0.98 0.00 -0.69 1.67 3.38 -0.35 -1.33 115.31 118.97 1djm h LEU 25 Ca 0.22 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 1djm h LEU 25 Cb 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1djm h LEU 25 CO -0.01 0.19 -0.59 0.11 0.09 0.00 0.00 178.44 178.23 1djm h LYS 26 N 0.00 0.00 -0.06 1.13 1.57 0.08 -0.57 116.57 118.71 1djm h LYS 26 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1djm h LYS 26 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 1djm h LYS 26 CO 0.03 0.59 -0.00 0.93 -0.57 0.00 0.00 179.45 180.42 1djm h GLU 27 N 0.00 0.11 -1.17 3.15 4.39 -0.42 -3.44 114.58 117.20 1djm h GLU 27 Ca -0.01 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 1djm h GLU 27 Cb 1.13 -0.01 -0.22 0.00 -0.10 0.00 0.00 28.75 29.55 1djm h GLU 27 CO 0.08 0.40 -0.45 -0.48 -1.16 0.00 0.00 179.01 177.40 1djm s LEU 28 N -9.52 -1.36 0.00 1.33 0.05 -0.57 -5.10 118.68 103.52 1djm s LEU 28 Ca -0.15 -0.43 0.00 0.00 0.05 0.00 0.00 54.13 53.61 1djm s LEU 28 Cb 0.04 1.77 0.00 0.00 -2.05 0.00 0.00 46.19 45.95 1djm s LEU 28 CO 0.69 -0.25 0.00 0.61 -0.55 0.00 0.00 176.35 176.85 1djm n GLY 29 N 4.91 -0.29 3.32 -3.48 0.00 -0.27 -4.42 105.19 104.96 1djm n GLY 29 Ca 0.07 -0.39 -0.17 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.87 1.52 0.26 1.61 0.40 -0.93 -4.86 117.98 115.11 1djm s PHE 30 Ca 0.00 -0.95 0.03 0.00 -0.60 0.00 0.00 56.93 55.41 1djm s PHE 30 Cb 0.00 -0.88 0.03 0.00 0.51 0.00 0.00 43.02 42.68 1djm s PHE 30 CO 0.00 -0.08 0.24 0.27 0.70 0.00 0.00 175.22 176.35 1djm n ASN 31 N -0.40 1.60 -2.88 1.36 6.94 -1.26 -4.35 115.26 116.26 1djm n ASN 31 Ca -0.05 -1.83 -0.09 0.00 -0.02 0.00 0.00 54.58 52.59 1djm n ASN 31 Cb 0.64 -0.06 0.01 0.00 -2.36 0.00 0.00 39.78 38.01 1djm n ASN 31 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1djm n ASN 32 N -2.12 -7.80 -4.40 0.53 4.13 -1.26 -4.56 115.26 99.76 1djm n ASN 32 Ca 0.01 0.63 -0.30 0.00 1.68 0.00 0.00 54.58 56.60 1djm n ASN 32 Cb 0.29 -5.11 -0.13 0.00 -1.54 0.00 0.00 39.78 33.28 1djm n ASN 32 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1djm s VAL 33 N -2.37 2.45 0.41 2.41 -7.23 -1.26 -1.11 120.40 113.70 1djm s VAL 33 Ca 0.22 -1.41 0.03 0.00 -1.81 0.00 0.00 61.98 59.01 1djm s VAL 33 Cb -0.06 -2.02 -0.03 0.00 0.56 0.00 0.00 36.38 34.83 1djm s VAL 33 CO 0.77 0.27 0.09 -0.70 -0.31 0.00 0.00 175.10 175.22 1djm s GLU 34 N -1.56 1.92 0.24 4.82 2.56 0.39 -4.94 118.70 122.11 1djm s GLU 34 Ca 0.14 -2.16 0.03 0.00 0.00 0.00 0.00 54.97 52.98 1djm s GLU 34 Cb -0.10 -0.85 -0.05 0.00 2.00 0.00 0.00 34.13 35.13 1djm s GLU 34 CO 0.05 -0.39 0.01 -1.21 -0.56 0.00 0.00 175.26 173.16 1djm s GLU 35 N -3.78 1.36 0.39 4.30 8.01 -1.26 -0.63 118.70 127.08 1djm s GLU 35 Ca 0.24 -1.70 0.04 0.00 0.01 0.00 0.00 54.97 53.56 1djm s GLU 35 Cb 0.04 -0.58 -0.06 0.00 -4.31 0.00 0.00 34.13 29.23 1djm s GLU 35 CO 0.13 -0.13 0.05 0.00 0.01 0.00 0.00 175.26 175.32 1djm s ALA 36 N -3.46 2.90 0.14 5.21 0.00 -1.26 -4.93 121.76 120.37 1djm s ALA 36 Ca 0.30 -1.80 -0.12 0.00 0.00 0.00 0.00 51.96 50.34 1djm s ALA 36 Cb 0.06 0.45 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 1djm s ALA 36 CO 0.09 -0.22 1.53 0.93 0.00 0.00 0.00 175.76 178.10 1djm h GLU 37 N 1.87 0.90 -2.30 0.00 4.39 -1.97 -3.46 114.58 114.02 1djm h GLU 37 Ca -0.41 -0.38 0.23 0.00 0.34 0.00 0.00 59.36 59.13 1djm h GLU 37 Cb 1.26 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.82 1djm h GLU 37 CO 0.72 1.03 0.68 0.16 -1.16 0.00 0.00 179.01 180.44 1djm s ASP 38 N -6.60 -0.02 0.35 1.42 -4.77 -1.26 -4.97 116.67 100.82 1djm s ASP 38 Ca -0.12 -0.47 0.06 0.00 -3.30 0.00 0.00 52.55 48.71 1djm s ASP 38 Cb 0.11 0.38 0.72 0.00 -1.09 0.00 0.00 42.92 43.04 1djm s ASP 38 CO 0.85 -0.74 1.92 1.23 0.70 0.00 0.00 175.17 179.13 1djm h GLY 39 N 2.00 1.12 0.95 2.12 0.00 -1.89 0.25 103.07 107.62 1djm h GLY 39 Ca -0.26 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 46.71 1djm h GLY 39 CO 0.33 0.20 0.17 -2.08 0.00 0.00 0.00 176.54 175.15 1djm h VAL 40 N 0.80 1.21 0.00 4.60 2.07 -1.96 -1.69 116.25 121.28 1djm h VAL 40 Ca 0.37 -0.65 -0.11 0.00 0.82 0.00 0.00 66.70 67.13 1djm h VAL 40 Cb 0.40 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1djm h VAL 40 CO -0.15 0.24 -0.54 -0.78 0.02 0.00 0.00 177.57 176.37 1djm h ASP 41 N 0.57 0.00 -0.24 0.57 3.58 -1.78 -3.23 116.42 115.89 1djm h ASP 41 Ca 0.15 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.60 1djm h ASP 41 Cb 0.21 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1djm h ASP 41 CO -0.01 0.54 0.15 0.00 -2.88 0.00 0.00 179.24 177.04 1djm h ALA 42 N 1.46 0.31 -0.89 -0.78 0.00 0.18 -1.14 119.26 118.40 1djm h ALA 42 Ca -0.01 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1djm h ALA 42 Cb 0.99 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 1djm h ALA 42 CO 0.07 -0.21 0.57 1.25 0.00 0.00 0.00 179.25 180.94 1djm h LEU 43 N 0.32 0.94 -0.84 0.00 5.85 -1.35 -0.77 115.31 119.46 1djm h LEU 43 Ca 0.09 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1djm h LEU 43 Cb -0.02 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 1djm h LEU 43 CO -0.02 0.63 0.44 -1.13 -0.34 0.00 0.00 178.44 178.02 1djm h ASN 44 N 1.10 1.06 0.03 1.25 -0.00 -1.52 -1.69 115.58 115.81 1djm h ASN 44 Ca 0.37 -0.11 0.03 0.00 -0.00 0.00 0.00 56.30 56.58 1djm h ASN 44 Cb 0.05 -0.27 -0.05 0.00 -0.00 0.00 0.00 38.32 38.05 1djm h ASN 44 CO -0.13 0.87 -0.30 0.11 -0.00 0.00 0.00 177.43 177.98 1djm h LYS 45 N 1.17 -0.44 -0.96 6.67 6.56 0.08 -2.34 116.57 127.31 1djm h LYS 45 Ca 0.29 0.03 0.05 0.00 -1.06 0.00 0.00 60.65 59.97 1djm h LYS 45 Cb 0.06 0.10 -0.06 0.00 -0.57 0.00 0.00 32.23 31.76 1djm h LYS 45 CO -0.04 -0.30 0.62 -0.07 -2.06 0.00 0.00 179.45 177.60 1djm h LEU 46 N -0.46 1.00 -2.13 2.94 3.38 -0.68 0.14 115.31 119.50 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 0.54 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1djm h LEU 46 CO -0.24 0.66 0.00 1.56 0.09 0.00 0.00 178.44 180.51 1djm h GLN 47 N 1.15 0.00 -0.36 1.13 1.08 -1.07 -3.02 115.11 114.02 1djm h GLN 47 Ca 0.40 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.60 1djm h GLN 47 Cb 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1djm h GLN 47 CO -0.15 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.73 1djm n ALA 48 N -2.06 2.36 0.00 3.87 0.00 0.45 -5.05 120.51 120.08 1djm n ALA 48 Ca -0.01 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.43 1djm n ALA 48 Cb 0.18 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 1.13 -0.35 2.33 0.00 0.00 -1.00 -5.02 105.19 102.28 1djm n GLY 49 Ca 0.16 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.07 4.37 3.04 -0.02 0.00 -1.26 -4.71 105.19 106.55 1djm n GLY 50 Ca 0.00 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 1djm n GLY 50 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1djm n TYR 51 N 2.98 3.07 0.67 1.61 4.01 -1.26 -2.13 117.16 126.11 1djm n TYR 51 Ca 0.71 -2.44 0.06 0.00 -0.16 0.00 0.00 57.90 56.08 1djm n TYR 51 Cb 0.30 -2.29 0.34 0.00 -0.31 0.00 0.00 39.34 37.38 1djm n TYR 51 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1djm n GLY 52 N 4.57 -0.64 3.04 2.72 0.00 -0.45 -4.45 105.19 109.98 1djm n GLY 52 Ca 0.50 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.43 1.12 -0.52 1.61 0.40 -1.16 -4.43 117.98 112.56 1djm s PHE 53 Ca 0.14 -0.28 0.07 0.00 -0.60 0.00 0.00 56.93 56.27 1djm s PHE 53 Cb 0.09 -0.77 0.30 0.00 0.51 0.00 0.00 43.02 43.15 1djm s PHE 53 CO 0.19 -0.10 0.78 0.28 0.70 0.00 0.00 175.22 177.07 1djm n VAL 54 N 3.17 1.63 -2.55 -0.44 0.31 -0.86 -0.43 118.33 119.15 1djm n VAL 54 Ca -0.17 -5.04 -0.40 0.00 -0.01 0.00 0.00 64.34 58.72 1djm n VAL 54 Cb 0.54 -1.46 -0.05 0.00 -0.91 0.00 0.00 33.84 31.97 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 -2.98 3.71 0.22 2.52 1.01 -0.46 -2.00 121.20 123.22 1djm s ILE 55 Ca 0.42 1.67 -0.13 0.00 0.00 0.00 0.00 60.65 62.61 1djm s ILE 55 Cb 0.24 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.65 1djm s ILE 55 CO -0.09 0.38 0.45 -0.94 0.00 0.00 0.00 174.94 174.74 1djm s SER 56 N -0.80 -0.11 1.04 3.58 1.04 -0.66 -0.85 113.70 116.94 1djm s SER 56 Ca 0.44 -0.80 -0.12 0.00 0.48 0.00 0.00 55.95 55.95 1djm s SER 56 Cb -0.30 0.55 0.21 0.00 0.10 0.00 0.00 66.02 66.59 1djm s SER 56 CO 0.38 -1.07 1.08 -0.62 0.98 0.00 0.00 173.24 173.99 1djm s ASP 57 N -2.97 2.23 0.05 7.02 -1.08 -0.69 -0.71 116.67 120.52 1djm s ASP 57 Ca 0.18 1.26 -0.20 0.00 -0.52 0.00 0.00 52.55 53.26 1djm s ASP 57 Cb 0.00 -1.95 -0.10 0.00 -1.46 0.00 0.00 42.92 39.41 1djm s ASP 57 CO 0.04 -3.39 1.31 -0.25 0.52 0.00 0.00 175.17 173.40 1djm h TRP 58 N -2.07 -0.78 -2.12 -5.34 2.91 -1.90 -3.43 115.95 103.22 1djm h TRP 58 Ca -0.56 0.00 0.16 0.00 1.13 0.00 0.00 58.89 59.63 1djm h TRP 58 Cb 1.33 0.30 -0.08 0.00 -0.51 0.00 0.00 29.16 30.20 1djm h TRP 58 CO 0.28 -0.39 -0.49 -1.71 -1.03 0.00 0.00 178.44 175.11 1djm n ASN 59 N -4.09 -3.78 -3.14 2.65 2.85 -1.26 -0.69 115.26 107.81 1djm n ASN 59 Ca -0.07 0.56 -0.20 0.00 -0.11 0.00 0.00 54.58 54.76 1djm n ASN 59 Cb 0.27 -3.02 -0.05 0.00 1.24 0.00 0.00 39.78 38.21 1djm n ASN 59 CO 0.00 0.00 0.00 0.80 -2.11 0.00 0.00 177.26 175.95 1djm n MET 60 N -3.30 0.48 -0.05 1.20 0.00 -1.26 -3.38 117.12 110.81 1djm n MET 60 Ca -0.03 -2.80 -0.13 0.00 -0.00 0.00 0.00 57.70 54.74 1djm n MET 60 Cb 0.47 -1.47 -0.11 0.00 0.00 0.00 0.00 33.22 32.10 1djm n MET 60 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 1djm h PRO 61 N 4.82 -0.01 0.00 2.12 0.13 -1.95 -3.47 132.00 133.64 1djm h PRO 61 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1djm h PRO 61 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1djm h PRO 61 CO 0.33 0.81 0.00 -1.71 -0.23 0.00 0.00 178.00 177.20 1djm n ASN 62 N -4.68 0.00 -4.56 1.44 5.15 -1.26 -4.96 115.26 106.39 1djm n ASN 62 Ca -0.09 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.58 1djm n ASN 62 Cb 0.40 0.16 -0.04 0.00 -0.53 0.00 0.00 39.78 39.77 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 -0.43 2.89 1.10 1.20 1.75 -1.26 -4.99 119.30 119.56 1djm s MET 63 Ca 0.00 -0.62 -0.12 0.00 -1.25 0.00 0.00 55.69 53.69 1djm s MET 63 Cb 0.00 -5.17 0.25 0.00 2.84 0.00 0.00 34.83 32.75 1djm s MET 63 CO 0.00 -3.05 1.05 0.16 -0.65 0.00 0.00 175.02 172.54 1djm s ASP 64 N 6.96 1.57 0.62 1.11 1.47 -1.26 -4.19 116.67 122.96 1djm s ASP 64 Ca 0.63 1.45 0.41 0.00 1.18 0.00 0.00 52.55 56.22 1djm s ASP 64 Cb -0.04 -2.19 2.13 0.00 -0.34 0.00 0.00 42.92 42.48 1djm s ASP 64 CO -0.02 -3.83 2.25 1.23 0.68 0.00 0.00 175.17 175.48 1djm h GLY 65 N -2.37 0.00 0.24 2.12 0.00 -0.92 0.28 103.07 102.43 1djm h GLY 65 Ca -0.59 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.72 1djm h GLY 65 CO 0.52 0.00 -0.12 -2.00 0.00 0.00 0.00 176.54 174.94 1djm h LEU 66 N 0.00 0.09 -0.72 3.11 7.12 -1.89 -1.65 115.31 121.37 1djm h LEU 66 Ca 0.00 -0.86 -0.00 0.00 0.13 0.00 0.00 57.88 57.15 1djm h LEU 66 Cb 0.13 -0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 40.20 1djm h LEU 66 CO 0.00 0.94 0.45 -0.33 -0.13 0.00 0.00 178.44 179.37 1djm h GLU 67 N -0.75 0.97 0.06 1.25 4.39 -1.80 0.11 114.58 118.81 1djm h GLU 67 Ca -0.02 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.62 1djm h GLU 67 Cb 0.97 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 29.38 1djm h GLU 67 CO 0.02 0.68 -0.19 1.25 -1.16 0.00 0.00 179.01 179.61 1djm h LEU 68 N 0.98 -0.54 0.12 1.33 5.85 -1.03 -0.32 115.31 121.70 1djm h LEU 68 Ca 0.26 0.07 0.02 0.00 0.84 0.00 0.00 57.88 59.07 1djm h LEU 68 Cb -0.06 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1djm h LEU 68 CO -0.05 -0.26 -0.33 0.25 -0.34 0.00 0.00 178.44 177.70 1djm h LEU 69 N -0.34 -0.96 -1.01 2.25 5.85 -0.93 -1.28 115.31 118.89 1djm h LEU 69 Ca 0.04 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 1djm h LEU 69 Cb 0.38 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 1djm h LEU 69 CO -0.14 -0.42 0.11 0.11 -0.34 0.00 0.00 178.44 177.76 1djm h LYS 70 N -0.56 0.82 -0.85 1.25 1.57 -0.54 0.25 116.57 118.51 1djm h LYS 70 Ca 0.03 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1djm h LYS 70 Cb 0.59 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 1djm h LYS 70 CO -0.20 0.75 0.47 1.15 -0.57 0.00 0.00 179.45 181.06 1djm h THR 71 N 0.79 1.25 -0.06 -0.16 2.02 -0.89 -0.02 112.91 115.83 1djm h THR 71 Ca 0.17 -0.60 -0.04 0.00 0.77 0.00 0.00 66.41 66.71 1djm h THR 71 Cb 0.32 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 1djm h THR 71 CO 0.00 0.27 -0.12 0.40 0.37 0.00 0.00 175.52 176.45 1djm h ILE 72 N 1.19 1.41 0.00 3.11 2.04 -0.19 -3.20 117.51 121.87 1djm h ILE 72 Ca 0.30 -1.40 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 1djm h ILE 72 Cb 0.02 2.18 -0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1djm h ILE 72 CO -0.05 0.39 -0.05 -0.09 0.00 0.00 0.00 178.15 178.35 1djm h ARG 73 N -0.29 0.00 -0.00 2.37 1.12 -0.30 -1.48 114.38 115.80 1djm h ARG 73 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1djm h ARG 73 Cb 0.69 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.65 1djm h ARG 73 CO 0.03 0.05 -0.11 0.00 -3.11 0.00 0.00 179.97 176.83 1djm n ALA 74 N -2.45 2.65 -2.02 2.80 0.00 -0.04 -4.62 120.51 116.83 1djm n ALA 74 Ca -0.03 -0.18 -0.32 0.00 0.00 0.00 0.00 53.44 52.91 1djm n ALA 74 Cb 0.13 -1.39 -0.05 0.00 0.00 0.00 0.00 19.45 18.15 1djm n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1djm s ASP 75 N -2.83 6.68 0.43 0.00 2.15 -0.60 -4.99 116.67 117.52 1djm s ASP 75 Ca 0.19 1.38 0.24 0.00 0.43 0.00 0.00 52.55 54.78 1djm s ASP 75 Cb 0.19 -2.42 0.74 0.00 -0.30 0.00 0.00 42.92 41.13 1djm s ASP 75 CO 0.54 -0.39 1.75 1.23 -0.17 0.00 0.00 175.17 178.12 1djm h GLY 76 N 1.52 0.00 0.00 2.66 0.00 -1.92 -3.29 103.07 102.05 1djm h GLY 76 Ca -0.48 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.71 1djm h GLY 76 CO 0.63 0.00 -1.33 0.00 0.00 0.00 0.00 176.54 175.84 1djm n ALA 77 N -2.17 1.49 0.62 3.60 0.00 -1.26 -4.81 120.51 117.98 1djm n ALA 77 Ca 0.01 -0.71 0.08 0.00 0.00 0.00 0.00 53.44 52.83 1djm n ALA 77 Cb 0.48 0.14 0.37 0.00 0.00 0.00 0.00 19.45 20.44 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 -4.11 0.05 0.33 0.00 2.81 -1.26 -3.06 117.12 111.88 1djm n MET 78 Ca -0.23 0.20 0.21 0.00 -1.81 0.00 0.00 57.70 56.07 1djm n MET 78 Cb 0.55 -1.50 1.15 0.00 -0.71 0.00 0.00 33.22 32.71 1djm n MET 78 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1djm h SER 79 N 0.00 0.00 1.08 7.83 0.87 -1.52 0.17 113.55 121.98 1djm h SER 79 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1djm h SER 79 Cb 0.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1djm h SER 79 CO 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.30 1djm n ALA 80 N -2.07 2.10 -1.83 6.23 0.00 -1.17 -4.82 120.51 118.95 1djm n ALA 80 Ca -0.03 -0.03 -0.41 0.00 0.00 0.00 0.00 53.44 52.98 1djm n ALA 80 Cb 0.12 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 1djm n ALA 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1djm s LEU 81 N -3.88 4.44 -1.15 0.00 1.43 0.05 -4.91 118.68 114.65 1djm s LEU 81 Ca 0.10 2.56 -0.22 0.00 -1.03 0.00 0.00 54.13 55.54 1djm s LEU 81 Cb 0.13 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.69 1djm s LEU 81 CO 0.50 -0.48 1.85 -2.16 0.23 0.00 0.00 176.35 176.29 1djm s PRO 82 N -1.28 2.94 -0.32 1.29 0.04 -1.26 -4.87 135.00 131.53 1djm s PRO 82 Ca 0.50 -1.20 -0.28 0.00 0.04 0.00 0.00 61.00 60.06 1djm s PRO 82 Cb -0.38 -5.29 -0.03 0.00 0.04 0.00 0.00 34.50 28.84 1djm s PRO 82 CO 0.47 -3.33 1.95 0.14 0.04 0.00 0.00 177.00 176.27 1djm s VAL 83 N 8.79 3.32 -0.25 -0.36 -7.23 -1.26 -2.04 120.40 121.37 1djm s VAL 83 Ca 0.63 0.31 -0.01 0.00 -1.81 0.00 0.00 61.98 61.11 1djm s VAL 83 Cb -0.01 -3.46 0.08 0.00 0.56 0.00 0.00 36.38 33.55 1djm s VAL 83 CO 0.08 -0.31 0.04 -0.22 -0.31 0.00 0.00 175.10 174.37 1djm s LEU 84 N 7.68 2.05 -0.19 1.32 2.96 -0.85 -0.68 118.68 130.97 1djm s LEU 84 Ca 0.86 -1.26 -0.29 0.00 -0.22 0.00 0.00 54.13 53.21 1djm s LEU 84 Cb -0.24 -0.88 -0.00 0.00 0.50 0.00 0.00 46.19 45.57 1djm s LEU 84 CO 0.33 -0.33 1.10 -0.04 -1.32 0.00 0.00 176.35 176.08 1djm s MET 85 N 1.62 4.28 -0.39 1.98 -1.94 -0.63 -1.65 119.30 122.56 1djm s MET 85 Ca 0.02 1.45 0.01 0.00 -1.71 0.00 0.00 55.69 55.46 1djm s MET 85 Cb -0.18 -3.65 0.15 0.00 2.01 0.00 0.00 34.83 33.16 1djm s MET 85 CO -0.14 -0.60 0.25 0.08 -0.01 0.00 0.00 175.02 174.60 1djm s VAL 86 N 3.08 0.48 0.32 -6.03 1.01 0.12 -0.87 120.40 118.50 1djm s VAL 86 Ca 0.48 -2.14 0.03 0.00 0.00 0.00 0.00 61.98 60.35 1djm s VAL 86 Cb -0.17 -1.34 -0.06 0.00 0.00 0.00 0.00 36.38 34.80 1djm s VAL 86 CO 0.10 -1.03 0.07 0.28 0.00 0.00 0.00 175.10 174.52 1djm s THR 87 N 0.65 1.05 0.05 3.92 -1.32 -0.62 -3.73 115.64 115.64 1djm s THR 87 Ca 0.21 -2.00 0.16 0.00 -1.21 0.00 0.00 61.69 58.86 1djm s THR 87 Cb -0.17 -2.74 0.08 0.00 -1.51 0.00 0.00 72.50 68.16 1djm s THR 87 CO -0.04 0.00 1.60 0.00 -2.21 0.00 0.00 174.62 173.96 1djm h ALA 88 N 2.13 0.83 -1.35 11.08 0.00 -1.93 0.15 119.26 130.18 1djm h ALA 88 Ca -0.40 -0.43 -0.49 0.00 0.00 0.00 0.00 54.91 53.59 1djm h ALA 88 Cb 1.25 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 1djm h ALA 88 CO 0.67 0.59 1.22 -1.21 0.00 0.00 0.00 179.25 180.53 1djm s GLU 89 N -3.31 2.79 0.00 0.00 0.41 -1.26 -4.65 118.70 112.67 1djm s GLU 89 Ca 0.01 0.23 0.00 0.00 -0.41 0.00 0.00 54.97 54.81 1djm s GLU 89 Cb 0.10 -4.47 0.00 0.00 -1.78 0.00 0.00 34.13 27.98 1djm s GLU 89 CO 0.72 -2.66 0.53 0.00 -0.49 0.00 0.00 175.26 173.36 1djm n ALA 90 N 11.98 2.24 -2.12 5.21 0.00 -1.26 -4.85 120.51 131.71 1djm n ALA 90 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.23 1djm n ALA 90 Cb 0.51 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.93 1djm n ALA 90 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1djm s LYS 91 N -0.62 3.01 0.04 0.00 2.47 -1.26 -4.90 119.74 118.48 1djm s LYS 91 Ca 0.00 0.82 -0.08 0.00 -1.56 0.00 0.00 55.97 55.14 1djm s LYS 91 Cb 0.00 -4.26 -0.02 0.00 -1.46 0.00 0.00 37.83 32.09 1djm s LYS 91 CO 0.00 -2.27 0.74 0.36 0.16 0.00 0.00 175.35 174.34 1djm n LYS 92 N 8.81 -0.12 0.23 4.03 2.85 -1.26 -1.22 118.16 131.49 1djm n LYS 92 Ca 0.19 0.73 0.07 0.00 -1.05 0.00 0.00 58.31 58.25 1djm n LYS 92 Cb 0.50 -1.09 0.54 0.00 -0.65 0.00 0.00 35.03 34.33 1djm n LYS 92 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1djm h GLU 93 N 0.00 0.00 -0.32 -1.58 5.08 -1.99 0.52 114.58 116.30 1djm h GLU 93 Ca 0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1djm h GLU 93 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1djm h GLU 93 CO -0.25 0.17 0.15 -0.91 -1.00 0.00 0.00 179.01 177.17 1djm h ASN 94 N 0.00 0.42 -0.29 1.42 4.21 -1.56 0.48 115.58 120.26 1djm h ASN 94 Ca -0.00 -0.13 -0.02 0.00 1.21 0.00 0.00 56.30 57.36 1djm h ASN 94 Cb 0.32 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.40 1djm h ASN 94 CO 0.02 0.43 0.11 0.40 -1.29 0.00 0.00 177.43 177.10 1djm h ILE 95 N 0.38 1.18 0.44 2.81 2.04 -0.05 -0.03 117.51 124.28 1djm h ILE 95 Ca 0.11 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 1djm h ILE 95 Cb 0.12 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1djm h ILE 95 CO -0.01 0.19 -0.38 0.40 0.00 0.00 0.00 178.15 178.35 1djm h ILE 96 N 0.31 0.23 -1.00 -0.67 5.03 -1.02 -0.71 117.51 119.68 1djm h ILE 96 Ca 0.10 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.92 1djm h ILE 96 Cb 0.19 0.23 -0.07 0.00 -3.03 0.00 0.00 36.82 34.14 1djm h ILE 96 CO -0.01 0.00 0.64 0.00 -0.68 0.00 0.00 178.15 178.11 1djm h ALA 97 N -0.43 1.43 0.16 1.87 0.00 -0.49 0.26 119.26 122.05 1djm h ALA 97 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1djm h ALA 97 Cb 0.71 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1djm h ALA 97 CO -0.03 0.39 -0.08 0.00 0.00 0.00 0.00 179.25 179.53 1djm h ALA 98 N 1.48 -0.21 -0.85 0.00 0.00 -0.93 0.64 119.26 119.39 1djm h ALA 98 Ca 0.45 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.29 1djm h ALA 98 Cb 0.25 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 1djm h ALA 98 CO -0.20 -0.48 0.50 0.00 0.00 0.00 0.00 179.25 179.07 1djm h ALA 99 N 0.29 1.21 0.08 0.00 0.00 -0.30 0.24 119.26 120.78 1djm h ALA 99 Ca -0.02 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1djm h ALA 99 Cb 0.39 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1djm h ALA 99 CO 0.04 0.15 -0.04 1.96 0.00 0.00 0.00 179.25 181.35 1djm h GLN 100 N 0.85 -0.11 0.00 0.00 1.08 -0.41 -2.81 115.11 113.71 1djm h GLN 100 Ca 0.40 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.61 1djm h GLN 100 Cb 0.33 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1djm h GLN 100 CO -0.23 0.04 0.00 0.00 -0.95 0.00 0.00 178.83 177.68 1djm n ALA 101 N -2.20 1.45 -0.78 3.87 0.00 0.21 -4.88 120.51 118.18 1djm n ALA 101 Ca -0.08 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1djm n ALA 101 Cb 0.12 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1djm n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1djm n GLY 102 N -0.45 1.35 3.75 0.00 0.00 -0.47 -4.90 105.19 104.47 1djm n GLY 102 Ca 0.01 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.03 2.77 -1.16 4.61 0.00 -0.05 -4.88 121.76 121.02 1djm s ALA 103 Ca 0.00 1.32 0.15 0.00 0.00 0.00 0.00 51.96 53.43 1djm s ALA 103 Cb 0.00 -3.57 0.70 0.00 0.00 0.00 0.00 23.12 20.26 1djm s ALA 103 CO 0.00 -1.40 1.47 -1.13 0.00 0.00 0.00 175.76 174.70 1djm n SER 104 N -1.12 0.00 0.00 0.00 3.41 0.14 -4.78 113.62 111.27 1djm n SER 104 Ca 0.11 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 1djm n SER 104 Cb 0.45 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 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 0.05 2.28 2.44 5.00 0.00 -1.26 -4.81 105.19 108.90 1djm n GLY 105 Ca 0.05 -0.98 -0.28 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 0.84 0.17 1.61 6.14 -1.25 -1.60 117.35 121.25 1djm s TYR 106 Ca 0.00 -1.91 -0.23 0.00 0.64 0.00 0.00 57.07 55.57 1djm s TYR 106 Cb 0.00 -0.89 -0.08 0.00 0.42 0.00 0.00 41.96 41.41 1djm s TYR 106 CO 0.00 -0.83 0.73 0.08 0.64 0.00 0.00 175.55 176.17 1djm s VAL 107 N 0.63 4.47 0.23 3.14 1.01 -0.05 -5.00 120.40 124.84 1djm s VAL 107 Ca 0.25 1.52 0.10 0.00 0.00 0.00 0.00 61.98 63.85 1djm s VAL 107 Cb -0.11 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1djm s VAL 107 CO -0.08 0.44 -0.11 -0.69 0.00 0.00 0.00 175.10 174.65 1djm s VAL 108 N -1.25 2.97 0.30 2.92 1.01 -1.26 -1.59 120.40 123.50 1djm s VAL 108 Ca 0.37 -1.98 -0.29 0.00 0.00 0.00 0.00 61.98 60.08 1djm s VAL 108 Cb -0.21 -2.53 -0.13 0.00 0.00 0.00 0.00 36.38 33.52 1djm s VAL 108 CO 0.24 -0.26 1.39 1.17 0.00 0.00 0.00 175.10 177.64 1djm n LYS 109 N -0.38 2.22 -1.64 2.72 3.00 0.54 -4.03 118.16 120.59 1djm n LYS 109 Ca -0.08 0.78 -0.31 0.00 -0.00 0.00 0.00 58.31 58.70 1djm n LYS 109 Cb 0.58 -2.43 0.04 0.00 0.00 0.00 0.00 35.03 33.22 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 -1.14 3.02 -0.26 1.64 0.04 -1.26 -4.91 135.00 132.13 1djm s PRO 110 Ca 0.61 0.96 -0.33 0.00 0.04 0.00 0.00 61.00 62.28 1djm s PRO 110 Cb -0.58 -2.00 0.17 0.00 0.04 0.00 0.00 34.50 32.13 1djm s PRO 110 CO 0.56 -1.03 1.31 -0.59 0.04 0.00 0.00 177.00 177.29 1djm s PHE 111 N -3.00 -0.07 0.15 0.56 -0.12 -1.26 -5.13 117.98 109.12 1djm s PHE 111 Ca 0.58 0.08 -0.02 0.00 -0.05 0.00 0.00 56.93 57.53 1djm s PHE 111 Cb -0.14 0.50 0.01 0.00 -0.63 0.00 0.00 43.02 42.76 1djm s PHE 111 CO 0.53 -0.08 0.22 0.25 -0.05 0.00 0.00 175.22 176.09 1djm n THR 112 N 0.25 0.00 -0.22 -4.49 -2.24 -1.26 -5.02 114.28 101.29 1djm n THR 112 Ca 0.01 -0.69 0.14 0.00 -2.27 0.00 0.00 64.05 61.24 1djm n THR 112 Cb 0.58 0.45 0.44 0.00 -2.10 0.00 0.00 70.33 69.70 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 1.73 1.97 -1.26 6.98 0.00 -1.98 -0.73 119.26 125.97 1djm h ALA 113 Ca -0.12 0.01 0.36 0.00 0.00 0.00 0.00 54.91 55.16 1djm h ALA 113 Cb 0.50 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1djm h ALA 113 CO 0.16 -0.20 0.89 0.00 0.00 0.00 0.00 179.25 180.10 1djm h ALA 114 N 1.62 3.11 0.00 0.00 0.00 -1.98 0.58 119.26 122.58 1djm h ALA 114 Ca 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1djm h ALA 114 Cb 0.80 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1djm h ALA 114 CO -0.17 -1.48 -1.42 -2.37 0.00 0.00 0.00 179.25 173.81 1djm n THR 115 N -4.21 0.00 0.17 0.00 5.66 -0.51 -3.92 114.28 111.46 1djm n THR 115 Ca 0.28 -0.22 -0.14 0.00 -3.05 0.00 0.00 64.05 60.91 1djm n THR 115 Cb 1.30 0.30 -0.07 0.00 -1.55 0.00 0.00 70.33 70.30 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 -0.92 -0.62 1.09 7.12 0.26 0.36 115.31 122.61 1djm h LEU 116 Ca 0.00 0.09 0.07 0.00 0.13 0.00 0.00 57.88 58.17 1djm h LEU 116 Cb 0.43 0.33 -0.06 0.00 -0.53 0.00 0.00 40.66 40.84 1djm h LEU 116 CO 0.00 -0.44 0.31 1.05 -0.13 0.00 0.00 178.44 179.23 1djm h GLU 117 N -0.62 0.55 -0.33 1.25 4.11 -1.18 -0.63 114.58 117.73 1djm h GLU 117 Ca 0.00 -0.03 -0.16 0.00 0.07 0.00 0.00 59.36 59.24 1djm h GLU 117 Cb 0.60 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1djm h GLU 117 CO -0.12 0.36 -0.42 1.49 0.07 0.00 0.00 179.01 180.39 1djm h GLU 118 N 0.57 0.81 -0.82 1.06 4.81 -1.64 0.25 114.58 119.61 1djm h GLU 118 Ca 0.29 -0.44 -0.02 0.00 -0.13 0.00 0.00 59.36 59.05 1djm h GLU 118 Cb 0.24 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1djm h GLU 118 CO -0.21 1.07 0.41 0.87 -0.73 0.00 0.00 179.01 180.43 1djm h LYS 119 N 0.66 1.16 0.08 1.92 1.57 -0.51 0.94 116.57 122.38 1djm h LYS 119 Ca 0.05 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1djm h LYS 119 Cb 0.99 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 1djm h LYS 119 CO 0.09 0.87 -0.07 -0.07 -0.57 0.00 0.00 179.45 179.71 1djm h LEU 120 N 1.16 -0.19 -1.35 2.94 3.38 -0.69 -1.86 115.31 118.69 1djm h LEU 120 Ca 0.28 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.33 1djm h LEU 120 Cb 0.08 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1djm h LEU 120 CO -0.04 -0.11 0.49 -1.13 0.09 0.00 0.00 178.44 177.73 1djm h ASN 121 N -0.16 0.69 -0.00 -0.43 -1.24 -0.38 0.24 115.58 114.29 1djm h ASN 121 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1djm h ASN 121 Cb 0.16 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.06 1djm h ASN 121 CO -0.02 0.45 -0.01 0.50 -1.29 0.00 0.00 177.43 177.06 1djm h LYS 122 N 0.79 -0.01 0.00 6.67 1.63 -0.50 -1.94 116.57 123.21 1djm h LYS 122 Ca 0.32 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 60.08 1djm h LYS 122 Cb 0.23 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.86 1djm h LYS 122 CO -0.10 -0.01 -0.16 -0.84 -3.45 0.00 0.00 179.45 174.88 1djm h ILE 123 N -0.01 0.35 -0.32 2.00 3.07 -0.53 0.13 117.51 122.19 1djm h ILE 123 Ca 0.00 -1.11 -0.03 0.00 1.55 0.00 0.00 64.86 65.27 1djm h ILE 123 Cb 0.01 1.85 -0.01 0.00 -0.27 0.00 0.00 36.82 38.40 1djm h ILE 123 CO -0.01 0.16 0.08 -0.26 -1.05 0.00 0.00 178.15 177.07 1djm h PHE 124 N 0.00 0.53 0.23 0.16 -1.00 -0.53 -1.37 116.94 114.96 1djm h PHE 124 Ca -0.00 -0.06 -0.33 0.00 2.81 0.00 0.00 57.97 60.38 1djm h PHE 124 Cb 0.84 -0.15 0.03 0.00 3.61 0.00 0.00 35.95 40.28 1djm h PHE 124 CO 0.00 0.55 -1.51 0.93 -1.61 0.00 0.00 178.31 176.67 1djm h GLU 125 N 0.36 0.48 0.00 1.51 4.39 -1.14 -3.00 114.58 117.17 1djm h GLU 125 Ca 0.10 -0.82 0.00 0.00 0.34 0.00 0.00 59.36 58.98 1djm h GLU 125 Cb 0.29 0.30 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1djm h GLU 125 CO 0.00 1.39 0.00 1.17 -1.16 0.00 0.00 179.01 180.41 1djm n LYS 126 N -3.66 0.00 -0.19 2.33 0.00 0.44 -3.89 118.16 113.18 1djm n LYS 126 Ca -0.17 0.27 -0.03 0.00 0.00 0.00 0.00 58.31 58.38 1djm n LYS 126 Cb 1.09 -1.00 0.17 0.00 0.00 0.00 0.00 35.03 35.29 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 0.88 -0.56 3.14 3.38 -1.51 -3.47 115.31 117.17 1djm h LEU 127 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1djm h LEU 127 Cb 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1djm h LEU 127 CO 0.00 0.79 0.00 0.61 0.09 0.00 0.00 178.44 179.93 1djm n GLY 128 N -0.98 0.76 0.00 0.83 0.00 -0.82 -5.04 105.19 99.94 1djm n GLY 128 Ca 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1djm n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35