#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 0.00 -2.06 3.04 0.00 -1.26 -5.16 120.51 115.07 1djm n ALA 2 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1djm n ALA 2 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 1djm n ALA 2 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1djm n ASP 3 N 0.00 0.47 0.15 0.00 8.00 -1.26 -4.95 116.55 118.96 1djm n ASP 3 Ca 0.00 -1.61 0.12 0.00 0.71 0.00 0.00 54.79 54.01 1djm n ASP 3 Cb 0.00 -0.74 0.54 0.00 -0.02 0.00 0.00 41.12 40.90 1djm n ASP 3 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1djm n LYS 4 N -3.08 0.17 -3.65 -1.24 4.01 -1.26 -4.91 118.16 108.22 1djm n LYS 4 Ca 0.14 0.53 -0.29 0.00 -0.51 0.00 0.00 58.31 58.18 1djm n LYS 4 Cb 0.49 -1.92 0.04 0.00 -0.51 0.00 0.00 35.03 33.13 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 -2.27 -1.24 -1.48 1.97 1.02 -1.26 -4.81 120.64 112.57 1djm n GLU 5 Ca 0.00 0.54 -0.44 0.00 -0.02 0.00 0.00 57.16 57.24 1djm n GLU 5 Cb 0.14 -4.12 -0.09 0.00 -0.02 0.00 0.00 31.44 27.35 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 -3.94 1.50 -4.99 -4.62 0.00 -1.26 -4.95 117.00 98.74 1djm n LEU 6 Ca -0.10 0.11 -0.24 0.00 0.00 0.00 0.00 56.01 55.78 1djm n LEU 6 Cb 0.59 -1.22 0.11 0.00 0.00 0.00 0.00 43.42 42.90 1djm n LEU 6 CO 0.66 -0.96 0.55 -1.59 0.00 0.00 0.00 177.39 176.05 1djm s LYS 7 N 7.64 1.71 -0.13 1.96 0.00 -1.26 -4.79 119.74 124.88 1djm s LYS 7 Ca 1.16 -1.05 0.02 0.00 0.00 0.00 0.00 55.97 56.09 1djm s LYS 7 Cb -0.85 -2.32 0.01 0.00 0.00 0.00 0.00 37.83 34.68 1djm s LYS 7 CO 0.44 -1.43 -0.18 -0.06 0.00 0.00 0.00 175.35 174.12 1djm s PHE 8 N -3.15 2.32 0.05 1.78 0.40 -0.53 -0.55 117.98 118.31 1djm s PHE 8 Ca 0.66 -1.17 -0.26 0.00 -0.60 0.00 0.00 56.93 55.57 1djm s PHE 8 Cb -0.06 -1.63 -0.05 0.00 0.51 0.00 0.00 43.02 41.79 1djm s PHE 8 CO 0.44 -0.57 0.79 -1.17 0.70 0.00 0.00 175.22 175.41 1djm s LEU 9 N 0.99 4.45 -0.38 -0.37 2.96 0.16 -0.63 118.68 125.87 1djm s LEU 9 Ca -0.05 1.49 0.01 0.00 -0.22 0.00 0.00 54.13 55.36 1djm s LEU 9 Cb -0.15 -3.28 0.13 0.00 0.50 0.00 0.00 46.19 43.39 1djm s LEU 9 CO -0.03 0.00 0.20 -0.69 -1.32 0.00 0.00 176.35 174.51 1djm s VAL 10 N -0.04 0.85 -0.74 1.68 1.01 0.36 -0.98 120.40 122.53 1djm s VAL 10 Ca 0.40 -1.98 -0.03 0.00 0.00 0.00 0.00 61.98 60.37 1djm s VAL 10 Cb -0.21 -1.61 0.22 0.00 0.00 0.00 0.00 36.38 34.78 1djm s VAL 10 CO 0.24 -0.87 2.32 0.52 0.00 0.00 0.00 175.10 177.31 1djm n VAL 11 N 4.05 3.81 -2.09 2.92 0.31 0.09 -4.26 118.33 123.15 1djm n VAL 11 Ca 0.07 -3.95 -0.41 0.00 -0.01 0.00 0.00 64.34 60.04 1djm n VAL 11 Cb 0.37 -1.45 -0.03 0.00 -0.91 0.00 0.00 33.84 31.82 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 -0.47 5.69 0.29 4.52 1.11 -1.26 -1.22 116.67 125.33 1djm s ASP 12 Ca 0.54 0.75 0.03 0.00 0.18 0.00 0.00 52.55 54.04 1djm s ASP 12 Cb 0.38 -2.53 0.70 0.00 1.07 0.00 0.00 42.92 42.54 1djm s ASP 12 CO -0.30 -1.97 1.69 -0.78 1.18 0.00 0.00 175.17 175.00 1djm h ASP 13 N 13.38 0.28 -3.48 0.27 3.58 -1.91 -3.37 116.42 125.17 1djm h ASP 13 Ca -0.29 0.16 -0.61 0.00 0.42 0.00 0.00 57.03 56.71 1djm h ASP 13 Cb 1.15 0.15 -0.11 0.00 1.72 0.00 0.00 39.33 42.24 1djm h ASP 13 CO 1.13 -0.01 0.33 0.12 -2.88 0.00 0.00 179.24 177.92 1djm s PHE 14 N -5.91 3.19 0.15 0.28 5.36 -1.26 -4.98 117.98 114.82 1djm s PHE 14 Ca -0.12 0.70 -0.20 0.00 -0.96 0.00 0.00 56.93 56.36 1djm s PHE 14 Cb 0.25 -3.19 0.05 0.00 -0.34 0.00 0.00 43.02 39.79 1djm s PHE 14 CO 0.78 -0.57 1.65 1.03 -1.46 0.00 0.00 175.22 176.65 1djm h SER 15 N 8.20 -0.53 -0.99 6.13 0.87 -2.01 0.12 113.55 125.33 1djm h SER 15 Ca -0.25 0.12 0.17 0.00 -1.23 0.00 0.00 61.79 60.60 1djm h SER 15 Cb 1.10 0.28 -0.10 0.00 -0.44 0.00 0.00 62.40 63.25 1djm h SER 15 CO 0.87 -0.20 0.62 0.74 -0.53 0.00 0.00 176.83 178.33 1djm h THR 16 N -0.12 0.76 -0.73 2.23 2.02 -1.93 0.16 112.91 115.30 1djm h THR 16 Ca 0.15 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 1djm h THR 16 Cb 0.36 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.64 1djm h THR 16 CO -0.37 0.14 0.41 -0.03 0.37 0.00 0.00 175.52 176.04 1djm h MET 17 N 0.78 1.01 -0.63 6.66 4.05 -1.13 0.15 114.93 125.83 1djm h MET 17 Ca 0.55 -0.11 -0.04 0.00 -0.28 0.00 0.00 59.70 59.81 1djm h MET 17 Cb 0.83 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 31.40 1djm h MET 17 CO -0.33 0.75 0.24 -0.09 0.23 0.00 0.00 176.91 177.71 1djm h ARG 18 N 1.00 0.94 0.54 0.39 1.12 -0.24 0.69 114.38 118.82 1djm h ARG 18 Ca 0.26 -0.18 -0.02 0.00 -1.11 0.00 0.00 59.98 58.93 1djm h ARG 18 Cb 0.02 -0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 29.82 1djm h ARG 18 CO -0.04 0.81 -0.38 0.00 -3.11 0.00 0.00 179.97 177.24 1djm h ARG 19 N 0.88 -0.86 -0.08 0.20 2.47 -0.67 -0.61 114.38 115.71 1djm h ARG 19 Ca 0.21 0.06 0.02 0.00 -1.26 0.00 0.00 59.98 59.01 1djm h ARG 19 Cb 0.22 0.19 -0.06 0.00 -1.65 0.00 0.00 29.97 28.68 1djm h ARG 19 CO -0.01 -0.57 -0.50 0.82 0.56 0.00 0.00 179.97 180.26 1djm h ILE 20 N -0.89 0.00 -0.48 2.04 5.03 -0.72 -1.27 117.51 121.22 1djm h ILE 20 Ca -0.06 0.00 0.10 0.00 -0.12 0.00 0.00 64.86 64.78 1djm h ILE 20 Cb 0.74 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 34.44 1djm h ILE 20 CO 0.03 0.00 -0.18 0.58 -0.68 0.00 0.00 178.15 177.90 1djm h VAL 21 N -0.57 0.42 -0.89 1.67 2.07 -0.75 0.28 116.25 118.49 1djm h VAL 21 Ca 0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.55 1djm h VAL 21 Cb 0.64 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1djm h VAL 21 CO -0.38 0.00 0.58 -0.09 0.02 0.00 0.00 177.57 177.71 1djm h ARG 22 N -0.07 1.17 0.36 1.57 1.12 -0.72 0.11 114.38 117.91 1djm h ARG 22 Ca 0.23 -0.07 -0.02 0.00 -1.11 0.00 0.00 59.98 59.01 1djm h ARG 22 Cb 0.42 -0.26 0.00 0.00 -0.01 0.00 0.00 29.97 30.12 1djm h ARG 22 CO -0.53 0.78 -0.17 -0.97 -3.11 0.00 0.00 179.97 175.97 1djm h ASN 23 N 1.20 -0.41 -0.55 -3.80 -0.73 0.03 -1.33 115.58 109.99 1djm h ASN 23 Ca 0.32 -0.05 0.06 0.00 1.87 0.00 0.00 56.30 58.50 1djm h ASN 23 Cb -0.13 0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.53 1djm h ASN 23 CO -0.07 -0.20 0.37 -0.07 -0.37 0.00 0.00 177.43 177.09 1djm h LEU 24 N -0.59 0.46 0.74 0.34 3.38 -0.69 -0.74 115.31 118.21 1djm h LEU 24 Ca -0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1djm h LEU 24 Cb 0.44 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.09 1djm h LEU 24 CO 0.08 0.30 -0.36 -0.07 0.09 0.00 0.00 178.44 178.49 1djm h LEU 25 N 0.53 -0.84 -0.96 1.67 3.38 -0.67 -3.22 115.31 115.19 1djm h LEU 25 Ca 0.24 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1djm h LEU 25 Cb 0.27 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1djm h LEU 25 CO -0.07 -0.60 0.00 2.29 0.09 0.00 0.00 178.44 180.15 1djm n LYS 26 N -4.68 0.16 0.00 1.13 -0.00 -0.51 -0.02 118.16 114.23 1djm n LYS 26 Ca -0.12 0.51 0.06 0.00 -0.00 0.00 0.00 58.31 58.76 1djm n LYS 26 Cb 0.39 -1.88 0.28 0.00 -0.00 0.00 0.00 35.03 33.82 1djm n LYS 26 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1djm n GLU 27 N -2.19 0.08 0.00 -1.58 -0.58 -0.38 -2.78 120.64 113.22 1djm n GLU 27 Ca 0.01 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 1djm n GLU 27 Cb 0.13 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 1djm n GLU 27 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1djm n LEU 28 N -1.40 1.24 0.00 -4.62 4.77 0.97 -5.09 117.00 112.87 1djm n LEU 28 Ca 0.04 -1.24 0.00 0.00 -0.03 0.00 0.00 56.01 54.78 1djm n LEU 28 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1djm n LEU 28 CO 0.10 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1djm n GLY 29 N -0.27 0.11 4.10 -0.72 0.00 -1.11 -4.98 105.19 102.32 1djm n GLY 29 Ca 0.00 -1.12 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 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 6.01 -1.96 -1.02 1.61 3.72 -1.26 -3.16 117.46 121.40 1djm n PHE 30 Ca 0.00 0.84 -0.29 0.00 -0.05 0.00 0.00 57.45 57.95 1djm n PHE 30 Cb 0.00 -3.37 0.20 0.00 -0.94 0.00 0.00 39.48 35.38 1djm n PHE 30 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1djm s ASN 31 N -3.33 1.93 0.00 4.37 2.20 -1.26 -4.67 114.94 114.18 1djm s ASN 31 Ca 0.70 1.14 0.00 0.00 -0.94 0.00 0.00 52.86 53.76 1djm s ASN 31 Cb -0.37 -1.78 0.00 0.00 -2.00 0.00 0.00 41.25 37.10 1djm s ASN 31 CO 0.89 -3.56 0.00 -3.20 -2.94 0.00 0.00 177.10 168.29 1djm n ASN 32 N -4.45 -0.14 -4.24 3.54 2.85 -1.26 -4.78 115.26 106.78 1djm n ASN 32 Ca 0.06 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.36 1djm n ASN 32 Cb 0.57 -0.07 -0.11 0.00 1.24 0.00 0.00 39.78 41.41 1djm n ASN 32 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1djm s VAL 33 N 0.00 1.24 0.35 3.44 -7.23 -1.26 -1.45 120.40 115.49 1djm s VAL 33 Ca 0.00 -1.82 0.04 0.00 -1.81 0.00 0.00 61.98 58.38 1djm s VAL 33 Cb 0.00 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.29 1djm s VAL 33 CO 0.00 -0.54 0.13 -1.61 -0.31 0.00 0.00 175.10 172.77 1djm s GLU 34 N -3.04 1.76 0.28 4.82 0.41 0.20 -4.91 118.70 118.22 1djm s GLU 34 Ca 0.11 -2.03 0.05 0.00 -0.41 0.00 0.00 54.97 52.69 1djm s GLU 34 Cb -0.02 -0.43 -0.06 0.00 -1.78 0.00 0.00 34.13 31.84 1djm s GLU 34 CO 0.02 -0.43 -0.02 -1.21 -0.49 0.00 0.00 175.26 173.14 1djm s GLU 35 N -3.77 1.54 0.39 1.61 8.01 -1.26 -0.49 118.70 124.73 1djm s GLU 35 Ca 0.31 -1.80 0.08 0.00 0.01 0.00 0.00 54.97 53.56 1djm s GLU 35 Cb 0.04 -0.98 -0.05 0.00 -4.31 0.00 0.00 34.13 28.83 1djm s GLU 35 CO 0.16 -0.05 0.15 0.00 0.01 0.00 0.00 175.26 175.54 1djm s ALA 36 N -3.16 3.52 0.19 5.21 0.00 -1.26 -4.90 121.76 121.36 1djm s ALA 36 Ca 0.31 -2.04 0.19 0.00 0.00 0.00 0.00 51.96 50.42 1djm s ALA 36 Cb 0.06 -0.45 0.70 0.00 0.00 0.00 0.00 23.12 23.42 1djm s ALA 36 CO 0.12 -0.10 1.74 1.05 0.00 0.00 0.00 175.76 178.58 1djm h GLU 37 N 1.50 0.00 0.00 0.00 4.11 -1.97 -3.45 114.58 114.77 1djm h GLU 37 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1djm h GLU 37 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1djm h GLU 37 CO 0.68 0.37 0.00 -0.25 0.07 0.00 0.00 179.01 179.88 1djm n ASP 38 N -3.57 0.00 -0.34 3.06 8.00 -1.26 -5.01 116.55 117.43 1djm n ASP 38 Ca -0.00 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.63 1djm n ASP 38 Cb 0.50 0.00 0.34 0.00 -0.02 0.00 0.00 41.12 41.94 1djm n ASP 38 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1djm h GLY 39 N 0.00 1.69 0.96 0.44 0.00 -1.90 0.82 103.07 105.09 1djm h GLY 39 Ca 0.00 -0.34 0.01 0.00 0.00 0.00 0.00 47.33 47.00 1djm h GLY 39 CO 0.00 -0.06 0.40 -2.08 0.00 0.00 0.00 176.54 174.80 1djm h VAL 40 N 0.73 1.13 0.00 4.60 2.07 -1.81 -1.56 116.25 121.41 1djm h VAL 40 Ca 0.57 -0.28 -0.13 0.00 0.82 0.00 0.00 66.70 67.68 1djm h VAL 40 Cb 0.94 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1djm h VAL 40 CO -0.36 0.15 -0.61 -0.78 0.02 0.00 0.00 177.57 175.99 1djm h ASP 41 N 0.81 0.00 -0.33 0.57 3.58 -1.47 -2.88 116.42 116.70 1djm h ASP 41 Ca 0.23 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 1djm h ASP 41 Cb -0.06 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 1djm h ASP 41 CO -0.07 0.61 0.17 0.00 -2.88 0.00 0.00 179.24 177.07 1djm h ALA 42 N 1.39 0.42 -0.45 -0.78 0.00 -0.23 0.16 119.26 119.77 1djm h ALA 42 Ca -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1djm h ALA 42 Cb 1.22 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1djm h ALA 42 CO 0.08 -0.03 0.27 1.25 0.00 0.00 0.00 179.25 180.82 1djm h LEU 43 N 0.40 0.55 -0.60 0.00 5.85 -1.29 -1.28 115.31 118.95 1djm h LEU 43 Ca 0.11 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.81 1djm h LEU 43 Cb 0.10 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1djm h LEU 43 CO -0.02 0.46 0.34 -1.13 -0.34 0.00 0.00 178.44 177.76 1djm h ASN 44 N 0.60 0.53 -0.26 1.25 -0.73 -1.23 0.11 115.58 115.85 1djm h ASN 44 Ca 0.16 0.02 0.06 0.00 1.87 0.00 0.00 56.30 58.41 1djm h ASN 44 Cb 0.01 -0.09 -0.06 0.00 0.27 0.00 0.00 38.32 38.45 1djm h ASN 44 CO -0.03 0.36 -0.12 0.11 -0.37 0.00 0.00 177.43 177.38 1djm h LYS 45 N 0.66 -0.08 -0.32 6.67 6.56 -0.37 -2.47 116.57 127.23 1djm h LYS 45 Ca 0.26 0.01 -0.10 0.00 -1.06 0.00 0.00 60.65 59.76 1djm h LYS 45 Cb 0.10 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.76 1djm h LYS 45 CO -0.14 -0.05 -0.20 -0.07 -2.06 0.00 0.00 179.45 176.92 1djm h LEU 46 N -0.08 0.59 0.00 2.94 -0.00 -0.51 -1.01 115.31 117.25 1djm h LEU 46 Ca 0.14 -0.19 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1djm h LEU 46 Cb 0.29 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 1djm h LEU 46 CO -0.32 0.80 0.00 0.00 -0.00 0.00 0.00 178.44 178.92 1djm n GLN 47 N -4.14 0.39 -0.06 1.13 6.02 0.31 -2.50 117.38 118.53 1djm n GLN 47 Ca 0.00 0.04 0.02 0.00 -0.01 0.00 0.00 57.00 57.05 1djm n GLN 47 Cb 0.39 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.18 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 -1.07 1.82 0.00 -1.58 0.00 -0.43 -5.06 120.51 114.19 1djm n ALA 48 Ca 0.10 -1.20 0.00 0.00 0.00 0.00 0.00 53.44 52.33 1djm n ALA 48 Cb 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.52 1.80 3.43 0.00 0.00 -0.91 -5.04 105.19 103.95 1djm n GLY 49 Ca 0.03 -0.86 -0.44 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.58 3.32 3.66 -0.02 0.00 -1.26 -4.44 105.19 105.86 1djm n GLY 50 Ca 0.00 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.72 1djm n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1djm s TYR 51 N 2.18 2.36 -0.15 1.61 1.51 -1.26 -4.63 117.35 118.97 1djm s TYR 51 Ca 0.46 0.57 0.29 0.00 -1.01 0.00 0.00 57.07 57.37 1djm s TYR 51 Cb 0.00 -3.75 0.91 0.00 -0.11 0.00 0.00 41.96 39.02 1djm s TYR 51 CO 0.02 -2.86 1.82 0.78 -1.11 0.00 0.00 175.55 174.20 1djm h GLY 52 N 10.12 0.00 -4.48 0.71 0.00 -1.17 -3.42 103.07 104.83 1djm h GLY 52 Ca -0.33 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.62 1djm h GLY 52 CO 0.96 0.00 -0.76 -1.36 0.00 0.00 0.00 176.54 175.38 1djm s PHE 53 N -3.46 1.08 -0.43 5.60 0.40 -1.18 -4.58 117.98 115.42 1djm s PHE 53 Ca 0.04 -0.48 0.07 0.00 -0.60 0.00 0.00 56.93 55.95 1djm s PHE 53 Cb 0.07 -0.61 0.23 0.00 0.51 0.00 0.00 43.02 43.22 1djm s PHE 53 CO 0.60 0.02 0.50 0.28 0.70 0.00 0.00 175.22 177.32 1djm n VAL 54 N 1.26 -0.46 -2.64 -0.44 0.31 -1.24 -0.67 118.33 114.45 1djm n VAL 54 Ca -0.21 -4.02 -0.38 0.00 -0.01 0.00 0.00 64.34 59.72 1djm n VAL 54 Cb 0.55 -1.91 -0.05 0.00 -0.91 0.00 0.00 33.84 31.51 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 -1.04 3.90 0.15 2.52 1.01 -0.16 -3.06 121.20 124.51 1djm s ILE 55 Ca 0.35 1.62 -0.11 0.00 0.00 0.00 0.00 60.65 62.50 1djm s ILE 55 Cb 0.13 -3.92 0.01 0.00 0.01 0.00 0.00 42.46 38.69 1djm s ILE 55 CO -0.12 0.17 0.32 -0.94 0.00 0.00 0.00 174.94 174.37 1djm s SER 56 N -1.42 -0.03 1.26 3.58 1.04 -0.65 -0.74 113.70 116.74 1djm s SER 56 Ca 0.51 -0.67 -0.21 0.00 0.48 0.00 0.00 55.95 56.06 1djm s SER 56 Cb -0.23 0.44 0.31 0.00 0.10 0.00 0.00 66.02 66.65 1djm s SER 56 CO 0.29 -0.88 1.11 -0.62 0.98 0.00 0.00 173.24 174.12 1djm s ASP 57 N -2.90 0.41 0.00 7.02 2.15 -0.36 -0.74 116.67 122.25 1djm s ASP 57 Ca 0.11 0.50 0.00 0.00 0.43 0.00 0.00 52.55 53.58 1djm s ASP 57 Cb 0.03 -0.63 0.00 0.00 -0.30 0.00 0.00 42.92 42.02 1djm s ASP 57 CO -0.05 -4.42 0.27 1.87 -0.17 0.00 0.00 175.17 172.66 1djm n TRP 58 N -4.94 0.00 -0.31 -5.34 -0.00 -1.26 -4.36 117.44 101.23 1djm n TRP 58 Ca 0.15 0.00 0.03 0.00 -0.00 0.00 0.00 57.50 57.68 1djm n TRP 58 Cb 0.60 -0.09 -0.01 0.00 -0.00 0.00 0.00 31.31 31.81 1djm n TRP 58 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 1djm n ASN 59 N -0.78 -1.36 -3.18 5.87 5.15 -1.26 -1.06 115.26 118.65 1djm n ASN 59 Ca 0.00 0.10 -0.23 0.00 -0.60 0.00 0.00 54.58 53.86 1djm n ASN 59 Cb 0.00 -1.28 -0.06 0.00 -0.53 0.00 0.00 39.78 37.91 1djm n ASN 59 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1djm n MET 60 N -1.32 0.76 -1.20 1.20 2.81 -1.26 -3.83 117.12 114.28 1djm n MET 60 Ca 0.00 -3.22 -0.19 0.00 -1.81 0.00 0.00 57.70 52.48 1djm n MET 60 Cb 0.53 -1.30 -0.10 0.00 -0.71 0.00 0.00 33.22 31.64 1djm n MET 60 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1djm n PRO 61 N 1.22 2.13 0.00 0.03 -0.04 -1.26 -4.82 135.00 132.26 1djm n PRO 61 Ca 0.21 -1.61 0.00 0.00 -0.04 0.00 0.00 63.50 62.06 1djm n PRO 61 Cb 0.55 -2.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 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 1.58 0.00 -4.58 3.54 4.05 -1.26 -4.58 115.26 114.02 1djm n ASN 62 Ca 0.43 0.00 -0.42 0.00 0.45 0.00 0.00 54.58 55.04 1djm n ASN 62 Cb 0.71 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.71 1djm n ASN 62 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 177.26 173.89 1djm s MET 63 N 0.00 3.85 0.93 1.20 1.75 -1.26 -4.97 119.30 120.80 1djm s MET 63 Ca 0.00 -1.81 -0.12 0.00 -1.25 0.00 0.00 55.69 52.51 1djm s MET 63 Cb 0.00 -5.50 0.07 0.00 2.84 0.00 0.00 34.83 32.25 1djm s MET 63 CO 0.00 -2.33 0.68 -0.40 -0.65 0.00 0.00 175.02 172.32 1djm n ASP 64 N 8.76 -1.17 0.31 1.11 5.68 -1.26 -3.82 116.55 126.16 1djm n ASP 64 Ca 0.46 0.37 0.18 0.00 -0.50 0.00 0.00 54.79 55.31 1djm n ASP 64 Cb 0.47 -1.31 1.04 0.00 -1.14 0.00 0.00 41.12 40.18 1djm n ASP 64 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1djm h GLY 65 N -1.64 0.00 0.57 6.12 0.00 -1.20 0.45 103.07 107.37 1djm h GLY 65 Ca -0.43 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 1djm h GLY 65 CO 0.37 0.00 -0.28 -2.00 0.00 0.00 0.00 176.54 174.63 1djm h LEU 66 N 0.00 0.30 -0.88 3.11 7.12 -1.89 -1.65 115.31 121.41 1djm h LEU 66 Ca -0.00 -0.70 -0.06 0.00 0.13 0.00 0.00 57.88 57.24 1djm h LEU 66 Cb 0.02 -0.09 -0.03 0.00 -0.53 0.00 0.00 40.66 40.03 1djm h LEU 66 CO 0.00 0.96 0.14 -0.33 -0.13 0.00 0.00 178.44 179.07 1djm h GLU 67 N -0.34 0.97 0.25 1.25 4.39 -1.45 0.76 114.58 120.41 1djm h GLU 67 Ca -0.03 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.45 1djm h GLU 67 Cb 0.97 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.48 1djm h GLU 67 CO 0.06 0.87 -0.21 1.25 -1.16 0.00 0.00 179.01 179.82 1djm h LEU 68 N 0.92 -0.54 -0.28 1.33 5.85 -1.04 0.20 115.31 121.75 1djm h LEU 68 Ca 0.20 0.04 0.06 0.00 0.84 0.00 0.00 57.88 59.02 1djm h LEU 68 Cb 0.35 0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.47 1djm h LEU 68 CO 0.00 -0.31 -0.39 0.25 -0.34 0.00 0.00 178.44 177.65 1djm h LEU 69 N -0.47 -1.25 -1.47 2.25 5.85 -0.92 -0.63 115.31 118.66 1djm h LEU 69 Ca -0.01 0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 1djm h LEU 69 Cb 0.42 0.54 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1djm h LEU 69 CO -0.02 -0.37 -0.27 0.11 -0.34 0.00 0.00 178.44 177.55 1djm h LYS 70 N -0.37 0.00 -0.09 1.25 1.57 -0.60 0.44 116.57 118.77 1djm h LYS 70 Ca 0.12 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.75 1djm h LYS 70 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1djm h LYS 70 CO -0.48 0.27 -0.61 1.15 -0.57 0.00 0.00 179.45 179.21 1djm h THR 71 N 0.00 1.37 -0.03 -0.16 2.02 -0.23 -2.04 112.91 113.84 1djm h THR 71 Ca -0.00 -1.96 -0.04 0.00 0.77 0.00 0.00 66.41 65.18 1djm h THR 71 Cb 0.51 1.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 1djm h THR 71 CO 0.03 0.59 -0.13 0.40 0.37 0.00 0.00 175.52 176.79 1djm h ILE 72 N 0.24 1.49 0.00 3.11 2.04 -0.30 -3.15 117.51 120.94 1djm h ILE 72 Ca -0.01 -1.63 0.00 0.00 1.00 0.00 0.00 64.86 64.22 1djm h ILE 72 Cb 1.13 2.50 0.00 0.00 -0.74 0.00 0.00 36.82 39.71 1djm h ILE 72 CO 0.10 0.44 0.00 -1.14 0.00 0.00 0.00 178.15 177.55 1djm n ARG 73 N -4.63 0.43 0.00 2.37 0.00 0.15 -1.72 116.66 113.25 1djm n ARG 73 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.76 1djm n ARG 73 Cb 0.40 -1.24 0.00 0.00 0.00 0.00 0.00 32.46 31.61 1djm n ARG 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1djm n ALA 74 N 0.49 -0.25 0.00 5.13 0.00 -0.77 -4.89 120.51 120.22 1djm n ALA 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1djm n ALA 74 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 1djm n ALA 74 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1djm n ASP 75 N -1.64 0.00 -0.52 0.00 5.68 -1.26 -4.99 116.55 113.82 1djm n ASP 75 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1djm n ASP 75 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1djm n ASP 75 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1djm n GLY 76 N 0.00 0.48 1.15 6.12 0.00 -1.26 -4.58 105.19 107.11 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 0.36 0.00 0.31 4.61 0.00 -1.26 -4.89 120.51 119.65 1djm n ALA 77 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1djm n ALA 77 Cb 0.08 0.00 0.37 0.00 0.00 0.00 0.00 19.45 19.91 1djm n ALA 77 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1djm h MET 78 N 3.05 0.00 0.00 0.00 2.86 -1.81 -3.35 114.93 115.68 1djm h MET 78 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1djm h MET 78 Cb 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 1djm h MET 78 CO 0.00 0.00 -0.04 1.03 1.06 0.00 0.00 176.91 178.96 1djm h SER 79 N 0.00 0.00 1.02 1.22 0.87 -1.62 -0.78 113.55 114.26 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 0.78 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 1djm h SER 79 CO 0.00 0.04 0.00 0.00 -0.53 0.00 0.00 176.83 176.34 1djm h ALA 80 N 1.96 1.00 -2.97 6.23 0.00 -1.87 -3.43 119.26 120.18 1djm h ALA 80 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 1djm h ALA 80 Cb 0.11 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.01 1djm h ALA 80 CO 0.01 0.00 0.73 -0.51 0.00 0.00 0.00 179.25 179.48 1djm s LEU 81 N -5.07 4.19 -1.26 0.00 1.43 -0.30 -4.88 118.68 112.79 1djm s LEU 81 Ca 0.05 2.98 -0.17 0.00 -1.03 0.00 0.00 54.13 55.95 1djm s LEU 81 Cb 0.09 -3.83 -0.01 0.00 0.03 0.00 0.00 46.19 42.48 1djm s LEU 81 CO 0.49 -1.06 2.05 -0.81 0.23 0.00 0.00 176.35 177.24 1djm n PRO 82 N 0.06 2.52 -1.79 1.29 -0.04 -1.26 -4.84 135.00 130.93 1djm n PRO 82 Ca 0.03 -2.55 -0.41 0.00 -0.04 0.00 0.00 63.50 60.53 1djm n PRO 82 Cb 0.41 -3.28 -0.01 0.00 -0.04 0.00 0.00 33.50 30.58 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 4.39 2.06 -0.21 0.52 -7.23 -1.26 -3.64 120.40 115.04 1djm s VAL 83 Ca 0.52 0.06 -0.04 0.00 -1.81 0.00 0.00 61.98 60.71 1djm s VAL 83 Cb 0.11 -3.04 0.11 0.00 0.56 0.00 0.00 36.38 34.12 1djm s VAL 83 CO 0.01 0.01 0.29 -0.22 -0.31 0.00 0.00 175.10 174.88 1djm s LEU 84 N -1.36 -0.35 -0.09 1.32 2.96 -1.17 -0.63 118.68 119.34 1djm s LEU 84 Ca 0.58 0.10 -0.30 0.00 -0.22 0.00 0.00 54.13 54.28 1djm s LEU 84 Cb -0.47 0.74 -0.03 0.00 0.50 0.00 0.00 46.19 46.93 1djm s LEU 84 CO 0.56 -0.30 1.24 -0.04 -1.32 0.00 0.00 176.35 176.49 1djm s MET 85 N 2.43 4.30 -0.29 1.98 -1.94 -0.71 -1.64 119.30 123.43 1djm s MET 85 Ca 0.08 1.70 -0.01 0.00 -1.71 0.00 0.00 55.69 55.75 1djm s MET 85 Cb -0.15 -3.64 0.09 0.00 2.01 0.00 0.00 34.83 33.14 1djm s MET 85 CO -0.13 -0.56 0.07 0.08 -0.01 0.00 0.00 175.02 174.47 1djm s VAL 86 N 2.75 0.89 0.27 -6.03 1.01 0.08 -0.51 120.40 118.86 1djm s VAL 86 Ca 0.56 -1.26 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1djm s VAL 86 Cb -0.24 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 1djm s VAL 86 CO 0.19 -0.55 0.27 0.28 0.00 0.00 0.00 175.10 175.29 1djm s THR 87 N 1.63 0.00 -0.15 3.92 -1.32 -0.68 -3.45 115.64 115.59 1djm s THR 87 Ca 0.07 -1.88 0.19 0.00 -1.21 0.00 0.00 61.69 58.86 1djm s THR 87 Cb -0.17 -2.50 -0.12 0.00 -1.51 0.00 0.00 72.50 68.20 1djm s THR 87 CO -0.21 0.00 0.81 0.00 -2.21 0.00 0.00 174.62 173.02 1djm n ALA 88 N -0.46 2.20 -2.57 11.08 0.00 -1.26 -0.90 120.51 128.61 1djm n ALA 88 Ca 0.04 -0.48 -0.43 0.00 0.00 0.00 0.00 53.44 52.56 1djm n ALA 88 Cb 0.64 -0.94 -0.05 0.00 0.00 0.00 0.00 19.45 19.10 1djm n ALA 88 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1djm s GLU 89 N -3.11 3.57 0.00 0.00 2.02 -1.26 -4.54 118.70 115.38 1djm s GLU 89 Ca -0.03 0.15 0.00 0.00 0.02 0.00 0.00 54.97 55.11 1djm s GLU 89 Cb 0.09 -3.89 0.00 0.00 0.10 0.00 0.00 34.13 30.43 1djm s GLU 89 CO 0.82 -1.09 0.82 0.00 0.02 0.00 0.00 175.26 175.83 1djm n ALA 90 N 6.84 -0.29 -3.09 5.21 0.00 -1.26 -4.94 120.51 122.98 1djm n ALA 90 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.48 1djm n ALA 90 Cb 0.48 0.04 -0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -1.56 -0.98 -0.23 0.00 3.00 -1.26 -4.32 118.16 112.81 1djm n LYS 91 Ca 0.00 1.20 0.19 0.00 -0.00 0.00 0.00 58.31 59.71 1djm n LYS 91 Cb 0.00 -1.79 0.52 0.00 0.00 0.00 0.00 35.03 33.76 1djm n LYS 91 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1djm h LYS 92 N 3.64 0.38 -0.33 1.64 3.11 -1.99 0.19 116.57 123.20 1djm h LYS 92 Ca -0.01 -0.02 -0.10 0.00 -2.81 0.00 0.00 60.65 57.70 1djm h LYS 92 Cb 0.75 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.88 1djm h LYS 92 CO 0.02 0.25 -0.22 0.93 -2.81 0.00 0.00 179.45 177.62 1djm h GLU 93 N 0.39 0.63 -0.71 1.90 3.07 -1.99 -0.25 114.58 117.61 1djm h GLU 93 Ca 0.46 -0.24 -0.05 0.00 -0.50 0.00 0.00 59.36 59.03 1djm h GLU 93 Cb 1.17 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 29.01 1djm h GLU 93 CO -0.17 0.80 0.26 -0.91 -1.40 0.00 0.00 179.01 177.60 1djm h ASN 94 N 0.56 0.99 -0.22 1.42 -0.26 -0.93 -0.32 115.58 116.81 1djm h ASN 94 Ca 0.08 -0.16 0.04 0.00 -0.56 0.00 0.00 56.30 55.71 1djm h ASN 94 Cb 0.68 -0.26 -0.04 0.00 -1.06 0.00 0.00 38.32 37.64 1djm h ASN 94 CO 0.05 0.90 -0.06 0.40 -1.06 0.00 0.00 177.43 177.66 1djm h ILE 95 N 1.04 0.78 0.21 2.81 5.03 -0.51 -0.73 117.51 126.13 1djm h ILE 95 Ca 0.24 -0.00 0.01 0.00 -0.12 0.00 0.00 64.86 64.99 1djm h ILE 95 Cb 0.23 0.78 -0.03 0.00 -3.03 0.00 0.00 36.82 34.77 1djm h ILE 95 CO -0.02 0.00 -0.31 0.40 -0.68 0.00 0.00 178.15 177.55 1djm h ILE 96 N 0.00 0.35 -0.75 -0.67 5.03 -0.45 -0.09 117.51 120.92 1djm h ILE 96 Ca 0.11 0.00 0.07 0.00 -0.12 0.00 0.00 64.86 64.91 1djm h ILE 96 Cb 0.16 0.35 -0.06 0.00 -3.03 0.00 0.00 36.82 34.24 1djm h ILE 96 CO -0.23 0.00 0.43 0.00 -0.68 0.00 0.00 178.15 177.67 1djm h ALA 97 N 0.03 1.02 -0.49 1.87 0.00 -0.94 0.20 119.26 120.95 1djm h ALA 97 Ca 0.01 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1djm h ALA 97 Cb 0.57 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1djm h ALA 97 CO -0.12 0.12 0.02 0.00 0.00 0.00 0.00 179.25 179.26 1djm h ALA 98 N 1.39 0.66 -0.27 0.00 0.00 -0.76 -0.46 119.26 119.81 1djm h ALA 98 Ca 0.34 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1djm h ALA 98 Cb 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1djm h ALA 98 CO -0.19 0.45 -0.37 0.00 0.00 0.00 0.00 179.25 179.14 1djm h ALA 99 N 0.94 0.83 -0.00 0.00 0.00 -0.33 0.88 119.26 121.58 1djm h ALA 99 Ca 0.14 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1djm h ALA 99 Cb 0.49 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1djm h ALA 99 CO 0.02 0.64 0.00 1.96 0.00 0.00 0.00 179.25 181.87 1djm h GLN 100 N 0.52 0.00 0.00 0.00 1.08 -0.45 -2.29 115.11 113.98 1djm h GLN 100 Ca 0.05 -0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.20 1djm h GLN 100 Cb 0.88 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.31 1djm h GLN 100 CO 0.08 0.07 -0.22 0.00 -0.95 0.00 0.00 178.83 177.81 1djm h ALA 101 N 0.93 1.45 -0.75 3.87 0.00 -1.03 -3.47 119.26 120.26 1djm h ALA 101 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1djm h ALA 101 Cb 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1djm h ALA 101 CO -0.00 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.94 1djm n GLY 102 N -0.71 0.87 3.66 0.00 0.00 -0.14 -4.98 105.19 103.90 1djm n GLY 102 Ca -0.02 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 1djm n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djm n ALA 103 N -1.37 -0.38 0.28 4.61 0.00 0.12 -4.89 120.51 118.87 1djm n ALA 103 Ca 0.00 -0.39 0.16 0.00 0.00 0.00 0.00 53.44 53.21 1djm n ALA 103 Cb 0.31 -2.20 0.83 0.00 0.00 0.00 0.00 19.45 18.39 1djm n ALA 103 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1djm h SER 104 N -1.13 0.00 0.00 0.00 4.64 -1.20 -3.46 113.55 112.40 1djm h SER 104 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1djm h SER 104 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1djm h SER 104 CO 0.44 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 177.08 1djm n GLY 105 N -0.62 -2.26 2.55 -0.77 0.00 -1.26 -4.89 105.19 97.94 1djm n GLY 105 Ca -0.02 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.41 1.08 -0.04 1.61 6.14 -1.26 -1.74 117.35 120.74 1djm s TYR 106 Ca 0.00 -1.80 -0.30 0.00 0.64 0.00 0.00 57.07 55.61 1djm s TYR 106 Cb 0.00 -1.21 -0.04 0.00 0.42 0.00 0.00 41.96 41.13 1djm s TYR 106 CO 0.00 -0.82 1.20 0.08 0.64 0.00 0.00 175.55 176.65 1djm s VAL 107 N 0.96 4.23 -0.02 3.14 1.01 0.33 -5.00 120.40 125.06 1djm s VAL 107 Ca 0.17 1.57 0.00 0.00 0.00 0.00 0.00 61.98 63.72 1djm s VAL 107 Cb -0.23 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1djm s VAL 107 CO -0.03 0.02 0.02 -0.69 0.00 0.00 0.00 175.10 174.42 1djm s VAL 108 N 2.04 4.32 0.73 2.92 1.01 -1.26 -1.68 120.40 128.47 1djm s VAL 108 Ca 0.56 -0.50 -0.11 0.00 0.00 0.00 0.00 61.98 61.93 1djm s VAL 108 Cb -0.25 -2.92 0.03 0.00 0.00 0.00 0.00 36.38 33.24 1djm s VAL 108 CO 0.23 0.41 1.08 -1.59 0.00 0.00 0.00 175.10 175.22 1djm s LYS 109 N -1.50 2.63 0.50 2.72 -2.85 -0.07 -4.22 119.74 116.94 1djm s LYS 109 Ca 0.19 0.77 -0.23 0.00 -1.00 0.00 0.00 55.97 55.70 1djm s LYS 109 Cb -0.12 -1.97 -0.06 0.00 -2.06 0.00 0.00 37.83 33.62 1djm s LYS 109 CO 0.10 -1.27 1.29 -1.25 0.10 0.00 0.00 175.35 174.33 1djm s PRO 110 N -5.13 3.46 0.09 1.78 0.04 -1.26 -4.95 135.00 129.04 1djm s PRO 110 Ca 0.59 2.09 -0.01 0.00 0.04 0.00 0.00 61.00 63.71 1djm s PRO 110 Cb -0.14 -2.38 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 1djm s PRO 110 CO 0.54 -0.89 -0.00 -0.59 0.04 0.00 0.00 177.00 176.10 1djm s PHE 111 N -1.37 0.73 0.24 0.56 -0.12 -1.26 -5.12 117.98 111.63 1djm s PHE 111 Ca 0.67 -1.11 -0.02 0.00 -0.05 0.00 0.00 56.93 56.42 1djm s PHE 111 Cb -0.37 -0.46 -0.03 0.00 -0.63 0.00 0.00 43.02 41.54 1djm s PHE 111 CO 0.44 -0.39 0.24 0.95 -0.05 0.00 0.00 175.22 176.41 1djm s THR 112 N -3.92 0.00 0.52 -4.49 -4.23 -1.26 -5.02 115.64 97.24 1djm s THR 112 Ca 0.15 -1.86 0.19 0.00 -1.18 0.00 0.00 61.69 58.99 1djm s THR 112 Cb 0.07 -2.46 0.27 0.00 1.34 0.00 0.00 72.50 71.73 1djm s THR 112 CO -0.04 0.00 2.14 0.00 -0.54 0.00 0.00 174.62 176.17 1djm h ALA 113 N 2.44 1.82 -0.65 3.99 0.00 -1.98 -0.66 119.26 124.21 1djm h ALA 113 Ca -0.32 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.62 1djm h ALA 113 Cb 1.25 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 1djm h ALA 113 CO 0.46 0.05 0.35 0.00 0.00 0.00 0.00 179.25 180.11 1djm h ALA 114 N 1.96 0.87 0.08 0.00 0.00 -1.95 0.17 119.26 120.38 1djm h ALA 114 Ca -0.00 0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.67 1djm h ALA 114 Cb 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1djm h ALA 114 CO 0.01 0.01 -1.27 0.00 0.00 0.00 0.00 179.25 177.99 1djm h THR 115 N 0.64 1.44 0.03 0.00 1.03 -1.80 -3.04 112.91 111.20 1djm h THR 115 Ca 0.30 -3.09 0.01 0.00 -0.01 0.00 0.00 66.41 63.62 1djm h THR 115 Cb 0.21 2.83 -0.01 0.00 -1.07 0.00 0.00 68.15 70.11 1djm h THR 115 CO -0.20 0.87 -0.06 0.25 -0.01 0.00 0.00 175.52 176.37 1djm h LEU 116 N 0.04 -0.17 -0.55 0.00 7.12 -0.67 0.14 115.31 121.22 1djm h LEU 116 Ca -0.13 0.02 -0.07 0.00 0.13 0.00 0.00 57.88 57.83 1djm h LEU 116 Cb 1.92 0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 42.10 1djm h LEU 116 CO 0.16 -0.10 0.05 1.05 -0.13 0.00 0.00 178.44 179.48 1djm h GLU 117 N -0.13 0.94 -0.72 1.25 -0.00 -0.82 0.12 114.58 115.22 1djm h GLU 117 Ca 0.02 -0.27 -0.01 0.00 -0.00 0.00 0.00 59.36 59.10 1djm h GLU 117 Cb 0.14 -0.10 -0.03 0.00 -0.00 0.00 0.00 28.75 28.76 1djm h GLU 117 CO -0.04 0.92 0.43 1.49 -0.00 0.00 0.00 179.01 181.81 1djm h GLU 118 N 0.82 0.98 0.00 1.06 4.57 -1.40 0.56 114.58 121.17 1djm h GLU 118 Ca 0.16 -0.09 -0.09 0.00 -1.18 0.00 0.00 59.36 58.16 1djm h GLU 118 Cb 0.46 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 1djm h GLU 118 CO 0.02 0.70 -0.43 0.87 -1.18 0.00 0.00 179.01 178.98 1djm h LYS 119 N 0.98 0.00 0.31 1.92 1.79 -0.22 -0.09 116.57 121.27 1djm h LYS 119 Ca 0.26 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.71 1djm h LYS 119 Cb -0.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 1djm h LYS 119 CO -0.05 0.43 -0.15 -0.07 -1.08 0.00 0.00 179.45 178.54 1djm h LEU 120 N 0.00 -0.36 -0.78 2.94 3.38 0.09 -1.87 115.31 118.71 1djm h LEU 120 Ca -0.00 -0.16 0.09 0.00 0.09 0.00 0.00 57.88 57.89 1djm h LEU 120 Cb 0.78 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.55 1djm h LEU 120 CO 0.06 -0.01 0.44 -1.13 0.09 0.00 0.00 178.44 177.88 1djm h ASN 121 N -0.73 0.62 0.13 -0.43 -1.24 -0.81 0.14 115.58 113.27 1djm h ASN 121 Ca -0.04 0.05 0.01 0.00 0.71 0.00 0.00 56.30 57.03 1djm h ASN 121 Cb 0.50 -0.07 -0.05 0.00 0.73 0.00 0.00 38.32 39.43 1djm h ASN 121 CO 0.07 0.36 -0.53 0.11 -1.29 0.00 0.00 177.43 176.15 1djm h LYS 122 N 0.74 -0.74 -0.14 6.67 1.57 -0.99 -1.13 116.57 122.55 1djm h LYS 122 Ca 0.37 0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 59.11 1djm h LYS 122 Cb 0.34 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1djm h LYS 122 CO -0.24 -0.49 -0.32 -0.84 -0.57 0.00 0.00 179.45 176.99 1djm h ILE 123 N -0.77 1.27 -0.53 1.86 3.07 -0.39 0.31 117.51 122.34 1djm h ILE 123 Ca -0.01 -1.30 0.03 0.00 1.55 0.00 0.00 64.86 65.12 1djm h ILE 123 Cb 0.77 1.52 -0.04 0.00 -0.27 0.00 0.00 36.82 38.80 1djm h ILE 123 CO -0.28 0.40 0.32 -0.26 -1.05 0.00 0.00 178.15 177.27 1djm h PHE 124 N 0.24 0.59 0.05 0.16 0.04 -0.57 -1.18 116.94 116.28 1djm h PHE 124 Ca 0.03 0.02 -0.32 0.00 2.80 0.00 0.00 57.97 60.50 1djm h PHE 124 Cb 0.69 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.61 1djm h PHE 124 CO 0.01 0.33 -1.84 0.39 -0.60 0.00 0.00 178.31 176.60 1djm n GLU 125 N -4.79 0.69 0.00 1.51 -0.58 -0.44 -2.72 120.64 114.30 1djm n GLU 125 Ca 0.04 0.28 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 1djm n GLU 125 Cb 0.08 -1.75 0.00 0.00 -0.57 0.00 0.00 31.44 29.20 1djm n GLU 125 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1djm n LYS 126 N -3.22 0.00 -0.05 3.49 4.81 0.11 -4.31 118.16 118.99 1djm n LYS 126 Ca -0.23 0.38 -0.08 0.00 -0.87 0.00 0.00 58.31 57.50 1djm n LYS 126 Cb 1.05 -0.98 0.09 0.00 0.02 0.00 0.00 35.03 35.21 1djm n LYS 126 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1djm h LEU 127 N 0.00 0.72 -0.40 3.14 3.38 -1.47 -3.47 115.31 117.20 1djm h LEU 127 Ca 0.00 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1djm h LEU 127 Cb 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1djm h LEU 127 CO 0.00 0.99 0.00 0.61 0.09 0.00 0.00 178.44 180.13 1djm n GLY 128 N -0.10 0.91 0.00 0.83 0.00 -0.65 -5.04 105.19 101.14 1djm n GLY 128 Ca -0.01 -0.23 0.13 0.00 0.00 0.00 0.00 46.02 45.92 1djm n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35