#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 -1.89 0.25 3.17 0.00 -1.26 -5.19 121.76 116.83 1djm s ALA 2 Ca 0.00 1.59 0.07 0.00 0.00 0.00 0.00 51.96 53.62 1djm s ALA 2 Cb 0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 1djm s ALA 2 CO 0.00 -0.31 -0.09 -0.51 0.00 0.00 0.00 175.76 174.84 1djm s ASP 3 N -0.84 2.65 0.00 0.00 1.11 -1.26 -5.02 116.67 113.31 1djm s ASP 3 Ca -0.03 -1.12 0.00 0.00 0.18 0.00 0.00 52.55 51.58 1djm s ASP 3 Cb -0.01 -0.15 0.00 0.00 1.07 0.00 0.00 42.92 43.83 1djm s ASP 3 CO 0.02 -0.27 0.90 0.29 1.18 0.00 0.00 175.17 177.29 1djm n LYS 4 N -0.49 0.00 -2.10 8.23 5.02 -1.26 -4.81 118.16 122.76 1djm n LYS 4 Ca -0.06 0.40 -0.20 0.00 -2.02 0.00 0.00 58.31 56.42 1djm n LYS 4 Cb 0.62 -1.59 -0.04 0.00 -0.02 0.00 0.00 35.03 34.00 1djm n LYS 4 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1djm n GLU 5 N -1.40 -1.62 -1.62 1.97 -0.58 -1.26 -4.88 120.64 111.25 1djm n GLU 5 Ca 0.00 1.07 -0.47 0.00 -0.42 0.00 0.00 57.16 57.33 1djm n GLU 5 Cb 0.09 -5.62 -0.05 0.00 -0.57 0.00 0.00 31.44 25.29 1djm n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1djm n LEU 6 N -2.76 3.23 -4.90 -4.62 0.00 -1.26 -4.90 117.00 101.79 1djm n LEU 6 Ca -0.23 0.71 -0.28 0.00 0.00 0.00 0.00 56.01 56.21 1djm n LEU 6 Cb 0.68 -1.40 0.04 0.00 0.00 0.00 0.00 43.42 42.74 1djm n LEU 6 CO 0.29 -0.28 0.63 -0.54 0.00 0.00 0.00 177.39 177.49 1djm s LYS 7 N 4.97 2.82 -0.50 1.96 3.01 -1.26 -4.82 119.74 125.92 1djm s LYS 7 Ca 0.97 0.15 0.03 0.00 -1.01 0.00 0.00 55.97 56.12 1djm s LYS 7 Cb -0.63 -2.16 0.13 0.00 -1.01 0.00 0.00 37.83 34.16 1djm s LYS 7 CO 0.47 -0.89 0.25 -0.06 0.51 0.00 0.00 175.35 175.63 1djm s PHE 8 N -3.16 3.31 0.13 3.18 0.40 -0.58 -3.18 117.98 118.08 1djm s PHE 8 Ca 0.56 -3.08 -0.31 0.00 -0.60 0.00 0.00 56.93 53.50 1djm s PHE 8 Cb -0.11 -2.89 -0.08 0.00 0.51 0.00 0.00 43.02 40.45 1djm s PHE 8 CO 0.48 -0.79 1.37 -1.17 0.70 0.00 0.00 175.22 175.80 1djm s LEU 9 N -0.06 4.38 -0.05 -0.37 2.96 -0.24 -0.11 118.68 125.18 1djm s LEU 9 Ca 0.16 2.34 -0.00 0.00 -0.22 0.00 0.00 54.13 56.40 1djm s LEU 9 Cb -0.24 -3.59 0.03 0.00 0.50 0.00 0.00 46.19 42.88 1djm s LEU 9 CO -0.02 -0.62 -0.01 -0.69 -1.32 0.00 0.00 176.35 173.69 1djm s VAL 10 N 0.88 0.36 -0.45 1.68 1.01 -0.60 -0.67 120.40 122.60 1djm s VAL 10 Ca 0.63 0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.74 1djm s VAL 10 Cb -0.37 -0.46 0.27 0.00 0.00 0.00 0.00 36.38 35.82 1djm s VAL 10 CO 0.32 0.22 0.63 0.52 0.00 0.00 0.00 175.10 176.79 1djm n VAL 11 N 4.58 0.30 -2.24 2.92 0.31 -0.36 -3.95 118.33 119.88 1djm n VAL 11 Ca -0.17 -4.48 -0.27 0.00 -0.01 0.00 0.00 64.34 59.42 1djm n VAL 11 Cb 0.50 -1.67 0.05 0.00 -0.91 0.00 0.00 33.84 31.81 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 -1.82 5.27 0.58 4.52 1.01 -1.26 -1.17 116.67 123.79 1djm s ASP 12 Ca 0.38 0.68 0.37 0.00 0.71 0.00 0.00 52.55 54.69 1djm s ASP 12 Cb 0.20 -1.51 1.73 0.00 1.01 0.00 0.00 42.92 44.34 1djm s ASP 12 CO -0.09 -1.31 2.11 -2.24 0.21 0.00 0.00 175.17 173.85 1djm h ASP 13 N -0.42 0.00 -3.48 0.27 3.04 -1.93 -3.42 116.42 110.49 1djm h ASP 13 Ca -0.45 0.00 -0.23 0.00 -3.24 0.00 0.00 57.03 53.11 1djm h ASP 13 Cb 1.28 0.00 -0.31 0.00 -1.04 0.00 0.00 39.33 39.26 1djm h ASP 13 CO 0.61 0.00 -0.58 0.12 -2.04 0.00 0.00 179.24 177.35 1djm s PHE 14 N -3.82 -0.18 0.28 4.15 5.36 -1.26 -5.05 117.98 117.46 1djm s PHE 14 Ca -0.01 0.49 0.01 0.00 -0.96 0.00 0.00 56.93 56.47 1djm s PHE 14 Cb 0.10 -0.05 0.59 0.00 -0.34 0.00 0.00 43.02 43.33 1djm s PHE 14 CO 0.49 -0.16 1.78 0.77 -1.46 0.00 0.00 175.22 176.64 1djm h SER 15 N 7.03 0.70 -0.60 6.13 0.02 -2.01 0.65 113.55 125.47 1djm h SER 15 Ca -0.40 0.08 0.12 0.00 -0.84 0.00 0.00 61.79 60.75 1djm h SER 15 Cb 1.15 -0.04 -0.09 0.00 0.14 0.00 0.00 62.40 63.56 1djm h SER 15 CO 0.42 0.30 0.10 0.74 -1.14 0.00 0.00 176.83 177.25 1djm h THR 16 N 0.75 0.61 -0.56 -2.27 2.02 -1.97 0.47 112.91 111.97 1djm h THR 16 Ca 0.50 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.62 1djm h THR 16 Cb 0.68 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1djm h THR 16 CO -0.34 0.04 0.37 0.24 0.37 0.00 0.00 175.52 176.20 1djm h MET 17 N 0.22 0.70 -0.06 6.66 2.86 -1.26 0.28 114.93 124.34 1djm h MET 17 Ca 0.32 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.82 1djm h MET 17 Cb 0.48 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 1djm h MET 17 CO -0.43 0.46 -0.38 -0.09 1.06 0.00 0.00 176.91 177.54 1djm h ARG 18 N 0.72 0.11 0.01 1.72 9.65 -0.72 0.28 114.38 126.16 1djm h ARG 18 Ca 0.21 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 59.04 1djm h ARG 18 Cb -0.04 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.54 1djm h ARG 18 CO -0.05 0.48 -0.01 0.00 2.80 0.00 0.00 179.97 183.20 1djm h ARG 19 N 0.10 -0.02 0.44 0.20 -0.00 -0.52 -1.92 114.38 112.66 1djm h ARG 19 Ca 0.01 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.48 1djm h ARG 19 Cb 0.72 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.67 1djm h ARG 19 CO 0.05 0.45 -0.45 0.82 0.00 0.00 0.00 179.97 180.84 1djm h ILE 20 N -0.48 0.00 -0.44 2.04 5.03 -0.38 -0.16 117.51 123.11 1djm h ILE 20 Ca -0.00 0.00 0.09 0.00 -0.12 0.00 0.00 64.86 64.83 1djm h ILE 20 Cb 0.47 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 34.18 1djm h ILE 20 CO 0.00 0.00 -0.06 0.58 -0.68 0.00 0.00 178.15 178.00 1djm h VAL 21 N -0.89 0.60 -0.37 1.67 2.07 -0.56 0.67 116.25 119.45 1djm h VAL 21 Ca -0.06 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.51 1djm h VAL 21 Cb 0.77 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 1djm h VAL 21 CO -0.06 0.01 0.04 -0.09 0.02 0.00 0.00 177.57 177.49 1djm h ARG 22 N 0.05 0.15 0.05 1.57 2.43 -1.15 -1.03 114.38 116.45 1djm h ARG 22 Ca 0.22 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.40 1djm h ARG 22 Cb 0.33 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 1djm h ARG 22 CO -0.41 0.10 -0.17 -0.91 -1.51 0.00 0.00 179.97 177.07 1djm h ASN 23 N 0.15 -0.48 -0.79 -3.80 4.21 0.38 -1.09 115.58 114.16 1djm h ASN 23 Ca 0.18 0.06 0.04 0.00 1.21 0.00 0.00 56.30 57.79 1djm h ASN 23 Cb 0.22 0.19 -0.05 0.00 -1.12 0.00 0.00 38.32 37.57 1djm h ASN 23 CO -0.26 -0.24 0.49 -0.07 -1.29 0.00 0.00 177.43 176.07 1djm h LEU 24 N -0.30 0.81 -0.20 1.61 3.38 -0.57 0.13 115.31 120.17 1djm h LEU 24 Ca 0.04 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1djm h LEU 24 Cb 0.35 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1djm h LEU 24 CO -0.13 0.55 0.09 -0.07 0.09 0.00 0.00 178.44 178.97 1djm h LEU 25 N 0.95 0.13 -1.16 1.67 3.38 -0.98 -2.23 115.31 117.07 1djm h LEU 25 Ca 0.32 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.23 1djm h LEU 25 Cb 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1djm h LEU 25 CO -0.13 0.10 -0.17 0.11 0.09 0.00 0.00 178.44 178.45 1djm h LYS 26 N 0.20 0.38 -0.40 1.13 1.57 -0.10 0.34 116.57 119.70 1djm h LYS 26 Ca 0.08 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1djm h LYS 26 Cb 0.03 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1djm h LYS 26 CO -0.06 0.55 0.24 0.93 -0.57 0.00 0.00 179.45 180.54 1djm h GLU 27 N 0.35 0.54 -0.41 3.15 4.39 -0.55 -2.97 114.58 119.08 1djm h GLU 27 Ca 0.06 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.65 1djm h GLU 27 Cb 0.51 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1djm h GLU 27 CO 0.03 0.40 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.21 1djm h LEU 28 N 0.52 0.72 0.00 1.33 3.38 -0.98 -3.47 115.31 116.81 1djm h LEU 28 Ca 0.14 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1djm h LEU 28 Cb -0.00 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1djm h LEU 28 CO -0.03 0.85 0.00 0.61 0.09 0.00 0.00 178.44 179.96 1djm n GLY 29 N -0.36 -0.13 3.80 0.83 0.00 -0.05 -5.11 105.19 104.16 1djm n GLY 29 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 2.94 0.34 1.61 0.40 -0.28 -4.90 117.98 118.10 1djm s PHE 30 Ca 0.00 1.54 0.01 0.00 -0.60 0.00 0.00 56.93 57.88 1djm s PHE 30 Cb 0.00 -3.06 -0.01 0.00 0.51 0.00 0.00 43.02 40.46 1djm s PHE 30 CO 0.00 -1.08 0.42 0.54 0.70 0.00 0.00 175.22 175.80 1djm s ASN 31 N -2.38 1.19 -1.12 1.36 2.20 -1.26 -3.25 114.94 111.67 1djm s ASN 31 Ca 0.66 -1.59 -0.13 0.00 -0.94 0.00 0.00 52.86 50.86 1djm s ASN 31 Cb -0.17 0.64 -0.03 0.00 -2.00 0.00 0.00 41.25 39.68 1djm s ASN 31 CO 0.30 -1.23 0.83 0.59 -2.94 0.00 0.00 177.10 174.64 1djm n ASN 32 N -1.50 -5.34 -4.73 3.54 3.02 -1.26 -4.58 115.26 104.41 1djm n ASN 32 Ca 0.03 -0.89 -0.31 0.00 -0.03 0.00 0.00 54.58 53.39 1djm n ASN 32 Cb 0.62 -4.12 0.12 0.00 -0.61 0.00 0.00 39.78 35.79 1djm n ASN 32 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1djm s VAL 33 N -3.46 2.87 0.26 2.41 -7.23 -1.26 -1.52 120.40 112.46 1djm s VAL 33 Ca 0.42 0.28 0.02 0.00 -1.81 0.00 0.00 61.98 60.89 1djm s VAL 33 Cb -0.11 -2.60 -0.05 0.00 0.56 0.00 0.00 36.38 34.18 1djm s VAL 33 CO 0.81 -0.37 0.09 -1.61 -0.31 0.00 0.00 175.10 173.71 1djm s GLU 34 N -4.81 1.43 0.01 4.82 0.41 0.84 -4.74 118.70 116.65 1djm s GLU 34 Ca 0.63 -1.77 0.04 0.00 -0.41 0.00 0.00 54.97 53.46 1djm s GLU 34 Cb -0.19 -0.35 -0.01 0.00 -1.78 0.00 0.00 34.13 31.79 1djm s GLU 34 CO 0.57 -0.27 -0.13 -1.21 -0.49 0.00 0.00 175.26 173.72 1djm s GLU 35 N -4.01 1.01 0.42 1.61 2.02 -1.26 -1.55 118.70 116.93 1djm s GLU 35 Ca 0.37 -0.57 0.07 0.00 0.02 0.00 0.00 54.97 54.86 1djm s GLU 35 Cb 0.08 -0.99 -0.06 0.00 0.10 0.00 0.00 34.13 33.26 1djm s GLU 35 CO 0.13 0.26 0.14 0.00 0.02 0.00 0.00 175.26 175.81 1djm s ALA 36 N -0.51 3.49 -0.16 5.21 0.00 -1.25 -4.95 121.76 123.59 1djm s ALA 36 Ca 0.04 -2.13 0.16 0.00 0.00 0.00 0.00 51.96 50.03 1djm s ALA 36 Cb -0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 23.12 22.82 1djm s ALA 36 CO 0.00 -0.16 1.21 1.05 0.00 0.00 0.00 175.76 177.87 1djm h GLU 37 N 1.51 0.00 -2.16 0.00 4.11 -1.95 -3.46 114.58 112.63 1djm h GLU 37 Ca -0.43 0.00 0.25 0.00 0.07 0.00 0.00 59.36 59.25 1djm h GLU 37 Cb 1.25 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.43 1djm h GLU 37 CO 0.73 0.39 0.70 0.16 0.07 0.00 0.00 179.01 181.06 1djm s ASP 38 N -6.16 -0.04 0.34 3.06 -4.77 -1.26 -5.03 116.67 102.81 1djm s ASP 38 Ca 0.01 -0.39 0.03 0.00 -3.30 0.00 0.00 52.55 48.90 1djm s ASP 38 Cb 0.08 0.34 0.60 0.00 -1.09 0.00 0.00 42.92 42.84 1djm s ASP 38 CO 0.77 -0.65 1.91 1.23 0.70 0.00 0.00 175.17 179.12 1djm h GLY 39 N 2.00 0.67 0.86 2.12 0.00 -1.82 0.25 103.07 107.15 1djm h GLY 39 Ca -0.26 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 46.71 1djm h GLY 39 CO 0.31 0.33 0.02 -2.08 0.00 0.00 0.00 176.54 175.13 1djm h VAL 40 N 0.62 1.13 -0.95 4.60 2.07 -1.86 -0.71 116.25 121.14 1djm h VAL 40 Ca 0.14 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.33 1djm h VAL 40 Cb 0.22 1.31 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 1djm h VAL 40 CO -0.01 0.10 0.62 -0.78 0.02 0.00 0.00 177.57 177.53 1djm h ASP 41 N -0.09 1.02 -0.59 0.57 3.58 -1.90 -1.95 116.42 117.06 1djm h ASP 41 Ca 0.01 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1djm h ASP 41 Cb 0.15 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 1djm h ASP 41 CO -0.00 0.69 0.29 0.00 -2.88 0.00 0.00 179.24 177.34 1djm h ALA 42 N 1.45 0.77 -0.44 -0.78 0.00 0.03 0.34 119.26 120.63 1djm h ALA 42 Ca 0.38 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1djm h ALA 42 Cb 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1djm h ALA 42 CO -0.12 0.33 0.06 1.25 0.00 0.00 0.00 179.25 180.76 1djm h LEU 43 N 0.81 0.71 -0.51 0.00 5.85 -0.90 -0.26 115.31 121.01 1djm h LEU 43 Ca 0.20 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 1djm h LEU 43 Cb 0.12 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1djm h LEU 43 CO -0.03 0.80 0.09 -1.13 -0.34 0.00 0.00 178.44 177.84 1djm h ASN 44 N 0.60 0.81 -0.33 1.25 -1.24 -0.75 -0.36 115.58 115.56 1djm h ASN 44 Ca 0.13 -0.26 0.07 0.00 0.71 0.00 0.00 56.30 56.95 1djm h ASN 44 Cb 0.40 -0.21 -0.07 0.00 0.73 0.00 0.00 38.32 39.17 1djm h ASN 44 CO 0.01 0.86 -0.10 0.11 -1.29 0.00 0.00 177.43 177.02 1djm h LYS 45 N 0.72 -0.03 -0.19 6.67 1.79 -0.28 -1.12 116.57 124.13 1djm h LYS 45 Ca 0.16 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1djm h LYS 45 Cb 0.39 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 1djm h LYS 45 CO 0.01 -0.02 0.11 -0.07 -1.08 0.00 0.00 179.45 178.40 1djm h LEU 46 N -0.03 0.23 -0.20 2.94 -0.00 -0.54 -1.10 115.31 116.61 1djm h LEU 46 Ca 0.16 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 1djm h LEU 46 Cb 0.28 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.88 1djm h LEU 46 CO -0.36 0.22 0.00 0.00 -0.00 0.00 0.00 178.44 178.30 1djm n GLN 47 N -4.92 0.04 -0.60 1.13 6.02 -0.19 -1.57 117.38 117.29 1djm n GLN 47 Ca -0.04 0.35 0.02 0.00 -0.01 0.00 0.00 57.00 57.33 1djm n GLN 47 Cb 0.05 -1.59 0.23 0.00 1.02 0.00 0.00 30.24 29.95 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 -1.56 3.58 -2.81 -1.58 0.00 -0.45 -5.02 120.51 112.66 1djm n ALA 48 Ca 0.02 -2.68 -0.10 0.00 0.00 0.00 0.00 53.44 50.68 1djm n ALA 48 Cb 0.14 -0.73 -0.06 0.00 0.00 0.00 0.00 19.45 18.80 1djm n ALA 48 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1djm s GLY 49 N -2.21 -0.02 -0.43 0.00 0.00 -0.52 -4.94 107.32 99.20 1djm s GLY 49 Ca 0.43 -0.39 0.03 0.00 0.00 0.00 0.00 44.72 44.79 1djm s GLY 49 CO 0.05 -0.57 1.86 0.61 0.00 0.00 0.00 173.10 175.05 1djm n GLY 50 N -0.17 4.42 3.56 0.20 0.00 -1.26 -4.86 105.19 107.09 1djm n GLY 50 Ca -0.14 -1.11 -0.27 0.00 0.00 0.00 0.00 46.02 44.49 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 -3.07 1.85 -1.66 1.61 2.02 -1.26 -4.52 117.35 112.32 1djm s TYR 51 Ca 0.53 0.55 0.17 0.00 -0.37 0.00 0.00 57.07 57.95 1djm s TYR 51 Cb 0.44 -4.07 0.91 0.00 -0.40 0.00 0.00 41.96 38.84 1djm s TYR 51 CO 0.09 -1.70 1.46 0.41 -1.57 0.00 0.00 175.55 174.23 1djm n GLY 52 N 6.75 -0.71 2.79 0.71 0.00 -1.24 -4.51 105.19 108.98 1djm n GLY 52 Ca 0.40 -0.09 -0.16 0.00 0.00 0.00 0.00 46.02 46.18 1djm n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1djm s PHE 53 N -2.34 0.16 -0.07 1.61 2.19 -1.19 -4.42 117.98 113.92 1djm s PHE 53 Ca 0.20 0.07 -0.00 0.00 0.33 0.00 0.00 56.93 57.53 1djm s PHE 53 Cb 0.11 -0.32 0.02 0.00 -1.31 0.00 0.00 43.02 41.53 1djm s PHE 53 CO 0.23 -0.11 -0.03 0.08 1.83 0.00 0.00 175.22 177.22 1djm s VAL 54 N 1.06 0.56 -0.03 3.12 1.01 -1.26 -1.08 120.40 123.77 1djm s VAL 54 Ca -0.09 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.85 1djm s VAL 54 Cb -0.13 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.62 1djm s VAL 54 CO -0.02 0.26 -0.09 -0.63 0.00 0.00 0.00 175.10 174.62 1djm s ILE 55 N 1.44 0.83 0.16 2.22 1.01 0.15 -1.66 121.20 125.36 1djm s ILE 55 Ca -0.03 -0.36 -0.14 0.00 0.00 0.00 0.00 60.65 60.12 1djm s ILE 55 Cb -0.13 -0.75 0.02 0.00 0.01 0.00 0.00 42.46 41.60 1djm s ILE 55 CO -0.03 0.26 0.40 -0.94 0.00 0.00 0.00 174.94 174.63 1djm s SER 56 N 0.33 -0.13 0.81 3.58 1.04 -0.67 -1.22 113.70 117.43 1djm s SER 56 Ca -0.06 -0.58 -0.10 0.00 0.48 0.00 0.00 55.95 55.69 1djm s SER 56 Cb -0.10 0.49 0.08 0.00 0.10 0.00 0.00 66.02 66.59 1djm s SER 56 CO 0.01 -0.94 1.11 -0.62 0.98 0.00 0.00 173.24 173.78 1djm s ASP 57 N -2.89 4.10 -0.04 7.02 2.15 -0.32 -0.73 116.67 125.95 1djm s ASP 57 Ca 0.10 1.92 -0.16 0.00 0.43 0.00 0.00 52.55 54.84 1djm s ASP 57 Cb 0.01 -2.53 -0.10 0.00 -0.30 0.00 0.00 42.92 40.00 1djm s ASP 57 CO -0.04 -2.31 0.66 -0.25 -0.17 0.00 0.00 175.17 173.05 1djm h TRP 58 N -1.32 -0.40 0.00 -5.34 2.91 -1.92 -3.01 115.95 106.88 1djm h TRP 58 Ca -0.43 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.58 1djm h TRP 58 Cb 1.24 0.13 0.00 0.00 -0.51 0.00 0.00 29.16 30.02 1djm h TRP 58 CO 0.56 -0.16 0.00 0.09 -1.03 0.00 0.00 178.44 177.90 1djm n ASN 59 N -5.06 0.68 -4.71 2.65 4.13 -1.26 -0.51 115.26 111.17 1djm n ASN 59 Ca -0.07 -1.45 -0.42 0.00 1.68 0.00 0.00 54.58 54.32 1djm n ASN 59 Cb 0.22 -0.34 -0.03 0.00 -1.54 0.00 0.00 39.78 38.09 1djm n ASN 59 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 1djm s MET 60 N -1.06 4.16 0.79 3.52 1.75 -1.26 -4.94 119.30 122.26 1djm s MET 60 Ca 0.00 2.52 -0.12 0.00 -1.25 0.00 0.00 55.69 56.84 1djm s MET 60 Cb 0.00 -3.18 0.07 0.00 2.84 0.00 0.00 34.83 34.56 1djm s MET 60 CO 0.00 -0.72 1.14 -1.25 -0.65 0.00 0.00 175.02 173.54 1djm s PRO 61 N 1.42 1.88 2.66 4.11 0.04 -1.26 -2.40 135.00 141.45 1djm s PRO 61 Ca 0.74 1.48 0.00 0.00 0.04 0.00 0.00 61.00 63.26 1djm s PRO 61 Cb -0.47 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1djm s PRO 61 CO 0.32 -1.97 0.00 -1.71 0.04 0.00 0.00 177.00 173.68 1djm n ASN 62 N -3.41 0.00 -4.43 6.66 2.85 -1.26 -4.35 115.26 111.32 1djm n ASN 62 Ca 0.11 0.00 -0.44 0.00 -0.11 0.00 0.00 54.58 54.14 1djm n ASN 62 Cb 0.52 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.51 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 3.53 0.71 1.20 1.75 -1.26 -5.04 119.30 120.19 1djm s MET 63 Ca 0.00 -1.78 -0.16 0.00 -1.25 0.00 0.00 55.69 52.50 1djm s MET 63 Cb 0.00 -4.76 -0.05 0.00 2.84 0.00 0.00 34.83 32.86 1djm s MET 63 CO 0.00 -1.69 0.43 -0.25 -0.65 0.00 0.00 175.02 172.87 1djm n ASP 64 N 6.22 -1.54 0.06 1.11 9.92 -1.01 -4.03 116.55 127.28 1djm n ASP 64 Ca 0.18 0.59 0.12 0.00 -0.53 0.00 0.00 54.79 55.15 1djm n ASP 64 Cb 0.48 -1.17 0.59 0.00 -0.64 0.00 0.00 41.12 40.38 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 -0.33 0.24 1.40 0.44 0.00 -0.65 0.73 103.07 104.89 1djm h GLY 65 Ca -0.45 -0.07 -0.13 0.00 0.00 0.00 0.00 47.33 46.68 1djm h GLY 65 CO 0.42 0.06 -0.33 -2.00 0.00 0.00 0.00 176.54 174.69 1djm h LEU 66 N 0.19 0.70 -0.25 3.11 7.12 -1.83 0.01 115.31 124.36 1djm h LEU 66 Ca 0.17 -0.29 -0.16 0.00 0.13 0.00 0.00 57.88 57.73 1djm h LEU 66 Cb 0.42 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.35 1djm h LEU 66 CO -0.03 0.98 -0.45 -0.33 -0.13 0.00 0.00 178.44 178.48 1djm h GLU 67 N 0.57 0.75 -0.17 1.25 4.39 -1.31 -0.19 114.58 119.87 1djm h GLU 67 Ca 0.06 -0.47 0.04 0.00 0.34 0.00 0.00 59.36 59.33 1djm h GLU 67 Cb 0.84 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.51 1djm h GLU 67 CO 0.07 1.09 -0.05 1.25 -1.16 0.00 0.00 179.01 180.21 1djm h LEU 68 N 0.48 -0.18 0.24 1.33 5.85 -0.84 0.67 115.31 122.86 1djm h LEU 68 Ca 0.01 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1djm h LEU 68 Cb 1.05 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 1djm h LEU 68 CO 0.10 -0.07 -0.45 0.25 -0.34 0.00 0.00 178.44 177.93 1djm h LEU 69 N -0.01 -1.30 -1.94 2.25 5.85 -0.92 -0.83 115.31 118.41 1djm h LEU 69 Ca 0.08 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1djm h LEU 69 Cb 0.14 0.46 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 1djm h LEU 69 CO -0.18 -0.52 -0.10 0.11 -0.34 0.00 0.00 178.44 177.40 1djm h LYS 70 N -0.74 0.00 0.45 1.25 1.57 -0.72 0.33 116.57 118.71 1djm h LYS 70 Ca -0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1djm h LYS 70 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1djm h LYS 70 CO -0.17 0.10 -0.22 1.15 -0.57 0.00 0.00 179.45 179.75 1djm h THR 71 N 0.00 0.50 -0.69 -0.16 2.02 -0.61 -2.53 112.91 111.44 1djm h THR 71 Ca -0.00 -0.35 0.04 0.00 0.77 0.00 0.00 66.41 66.86 1djm h THR 71 Cb 0.21 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 1djm h THR 71 CO 0.01 0.06 0.46 0.40 0.37 0.00 0.00 175.52 176.82 1djm h ILE 72 N -0.83 1.10 0.00 3.11 2.04 -0.05 -1.80 117.51 121.06 1djm h ILE 72 Ca -0.06 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 1djm h ILE 72 Cb 0.56 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1djm h ILE 72 CO 0.10 0.15 -0.11 -0.09 0.00 0.00 0.00 178.15 178.20 1djm h ARG 73 N 0.83 0.00 -2.25 2.37 1.12 -0.39 -2.72 114.38 113.34 1djm h ARG 73 Ca 0.28 0.00 -0.38 0.00 -1.11 0.00 0.00 59.98 58.77 1djm h ARG 73 Cb 0.08 0.00 -0.07 0.00 -0.01 0.00 0.00 29.97 29.97 1djm h ARG 73 CO -0.08 0.11 0.82 0.00 -3.11 0.00 0.00 179.97 177.71 1djm n ALA 74 N -2.16 6.68 -0.92 2.80 0.00 -0.68 -4.65 120.51 121.58 1djm n ALA 74 Ca 0.01 -2.54 0.00 0.00 0.00 0.00 0.00 53.44 50.90 1djm n ALA 74 Cb 0.38 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.29 1djm n ALA 74 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1djm n ASP 75 N 2.40 0.00 -1.17 0.00 8.00 -1.18 -4.88 116.55 119.73 1djm n ASP 75 Ca 0.53 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.88 1djm n ASP 75 Cb 0.67 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.70 1djm n ASP 75 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1djm n GLY 76 N 0.00 1.48 3.33 0.44 0.00 -1.26 -0.46 105.19 108.71 1djm n GLY 76 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1djm n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djm n ALA 77 N 1.28 0.00 1.24 4.61 0.00 -1.26 -4.91 120.51 121.47 1djm n ALA 77 Ca -0.15 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.42 1djm n ALA 77 Cb 0.60 -0.70 0.32 0.00 0.00 0.00 0.00 19.45 19.66 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 -1.58 1.28 0.32 0.00 2.81 0.39 -4.22 117.12 116.12 1djm n MET 78 Ca 0.00 -0.87 0.21 0.00 -1.81 0.00 0.00 57.70 55.23 1djm n MET 78 Cb 0.09 -1.48 1.10 0.00 -0.71 0.00 0.00 33.22 32.22 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 2.11 0.00 0.15 7.83 0.87 -1.56 0.07 113.55 123.02 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 0.60 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1djm h SER 79 CO 0.00 0.01 0.00 0.00 -0.53 0.00 0.00 176.83 176.31 1djm n ALA 80 N -2.13 2.31 -2.70 6.23 0.00 -1.26 -4.82 120.51 118.14 1djm n ALA 80 Ca -0.03 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 52.86 1djm n ALA 80 Cb 0.10 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 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 -2.20 4.36 -1.30 0.00 1.43 0.01 -4.95 118.68 116.03 1djm s LEU 81 Ca 0.31 1.67 -0.09 0.00 -1.03 0.00 0.00 54.13 54.99 1djm s LEU 81 Cb 0.16 -3.57 -0.12 0.00 0.03 0.00 0.00 46.19 42.70 1djm s LEU 81 CO 0.30 -0.28 3.07 -0.81 0.23 0.00 0.00 176.35 178.86 1djm n PRO 82 N 3.96 3.41 -1.40 1.29 -0.04 -1.26 -4.85 135.00 136.11 1djm n PRO 82 Ca 0.06 -2.02 -0.51 0.00 -0.04 0.00 0.00 63.50 60.99 1djm n PRO 82 Cb 0.51 -2.64 -0.09 0.00 -0.04 0.00 0.00 33.50 31.24 1djm n PRO 82 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1djm n VAL 83 N 3.28 0.09 -3.93 0.52 0.24 -1.24 -4.50 118.33 112.80 1djm n VAL 83 Ca 0.71 -0.19 -0.35 0.00 -2.04 0.00 0.00 64.34 62.47 1djm n VAL 83 Cb 0.36 -1.27 -0.14 0.00 -1.47 0.00 0.00 33.84 31.32 1djm n VAL 83 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1djm s LEU 84 N 7.47 2.84 -0.27 1.34 2.96 -0.66 -1.56 118.68 130.80 1djm s LEU 84 Ca 1.15 -0.46 -0.26 0.00 -0.22 0.00 0.00 54.13 54.34 1djm s LEU 84 Cb -1.04 -1.71 0.00 0.00 0.50 0.00 0.00 46.19 43.95 1djm s LEU 84 CO 0.52 -0.03 0.93 -0.04 -1.32 0.00 0.00 176.35 176.41 1djm s MET 85 N 1.45 4.14 -0.20 1.98 -1.94 -0.74 -1.68 119.30 122.31 1djm s MET 85 Ca 0.05 1.02 -0.02 0.00 -1.71 0.00 0.00 55.69 55.03 1djm s MET 85 Cb -0.14 -3.68 0.06 0.00 2.01 0.00 0.00 34.83 33.08 1djm s MET 85 CO -0.04 -0.66 0.01 0.08 -0.01 0.00 0.00 175.02 174.40 1djm s VAL 86 N 3.13 0.79 0.27 -6.03 1.01 0.09 -0.39 120.40 119.27 1djm s VAL 86 Ca 0.39 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 61.48 1djm s VAL 86 Cb -0.14 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.04 1djm s VAL 86 CO 0.10 -0.15 0.65 0.28 0.00 0.00 0.00 175.10 175.97 1djm s THR 87 N 1.74 0.00 0.14 3.92 -1.32 -0.81 -3.19 115.64 116.12 1djm s THR 87 Ca -0.02 -1.10 0.27 0.00 -1.21 0.00 0.00 61.69 59.63 1djm s THR 87 Cb -0.17 -2.04 0.28 0.00 -1.51 0.00 0.00 72.50 69.06 1djm s THR 87 CO -0.07 -0.00 1.88 0.00 -2.21 0.00 0.00 174.62 174.21 1djm h ALA 88 N 2.08 1.03 -1.84 11.08 0.00 -1.93 -0.13 119.26 129.54 1djm h ALA 88 Ca -0.21 -0.15 -0.57 0.00 0.00 0.00 0.00 54.91 53.98 1djm h ALA 88 Cb 1.25 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 1djm h ALA 88 CO 0.27 0.20 0.82 -1.21 0.00 0.00 0.00 179.25 179.33 1djm s GLU 89 N -3.69 3.79 0.00 0.00 0.41 -1.26 -4.51 118.70 113.44 1djm s GLU 89 Ca 0.00 0.62 0.00 0.00 -0.41 0.00 0.00 54.97 55.19 1djm s GLU 89 Cb 0.10 -3.86 0.00 0.00 -1.78 0.00 0.00 34.13 28.59 1djm s GLU 89 CO 0.61 -1.20 0.05 0.00 -0.49 0.00 0.00 175.26 174.24 1djm n ALA 90 N 7.40 0.00 -2.85 5.21 0.00 -1.26 -4.76 120.51 124.24 1djm n ALA 90 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.52 1djm n ALA 90 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.09 -2.87 -0.33 0.00 3.00 -1.26 -4.40 118.16 112.22 1djm n LYS 91 Ca 0.00 2.31 0.08 0.00 -0.00 0.00 0.00 58.31 60.69 1djm n LYS 91 Cb 0.00 -2.95 0.18 0.00 0.00 0.00 0.00 35.03 32.25 1djm n LYS 91 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1djm h LYS 92 N 4.51 0.01 -0.80 1.64 1.57 -1.99 0.22 116.57 121.72 1djm h LYS 92 Ca -0.26 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.55 1djm h LYS 92 Cb 0.64 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.90 1djm h LYS 92 CO 0.01 0.01 0.53 1.49 -0.57 0.00 0.00 179.45 180.91 1djm h GLU 93 N 0.01 0.97 -0.60 3.15 4.81 -1.99 0.02 114.58 120.95 1djm h GLU 93 Ca 0.49 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 1djm h GLU 93 Cb 0.85 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 1djm h GLU 93 CO -0.93 0.64 0.39 -0.91 -0.73 0.00 0.00 179.01 177.47 1djm h ASN 94 N 0.99 0.70 -0.63 1.04 4.21 -0.84 0.55 115.58 121.61 1djm h ASN 94 Ca 0.32 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.81 1djm h ASN 94 Cb 0.03 -0.17 -0.03 0.00 -1.12 0.00 0.00 38.32 37.03 1djm h ASN 94 CO -0.09 0.51 0.41 0.40 -1.29 0.00 0.00 177.43 177.37 1djm h ILE 95 N 0.81 1.17 0.47 2.81 5.03 -0.20 0.13 117.51 127.73 1djm h ILE 95 Ca 0.22 -0.32 -0.01 0.00 -0.12 0.00 0.00 64.86 64.63 1djm h ILE 95 Cb -0.08 0.26 -0.02 0.00 -3.03 0.00 0.00 36.82 33.95 1djm h ILE 95 CO -0.05 0.16 -0.42 0.40 -0.68 0.00 0.00 178.15 177.57 1djm h ILE 96 N 0.85 0.16 -0.91 -0.67 5.03 -0.79 -1.71 117.51 119.47 1djm h ILE 96 Ca 0.23 0.00 0.11 0.00 -0.12 0.00 0.00 64.86 65.07 1djm h ILE 96 Cb -0.08 0.16 -0.08 0.00 -3.03 0.00 0.00 36.82 33.79 1djm h ILE 96 CO -0.05 0.00 0.54 0.00 -0.68 0.00 0.00 178.15 177.97 1djm h ALA 97 N -0.58 1.33 -0.11 1.87 0.00 -0.45 0.14 119.26 121.45 1djm h ALA 97 Ca -0.05 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1djm h ALA 97 Cb 0.77 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1djm h ALA 97 CO -0.03 0.16 0.07 0.00 0.00 0.00 0.00 179.25 179.45 1djm h ALA 98 N 1.49 0.14 -0.32 0.00 0.00 -0.58 0.94 119.26 120.93 1djm h ALA 98 Ca 0.44 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.20 1djm h ALA 98 Cb 0.41 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1djm h ALA 98 CO -0.26 -0.34 -0.31 0.00 0.00 0.00 0.00 179.25 178.34 1djm h ALA 99 N 1.00 0.86 0.11 0.00 0.00 -0.36 0.50 119.26 121.37 1djm h ALA 99 Ca 0.04 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1djm h ALA 99 Cb 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1djm h ALA 99 CO -0.01 0.63 -0.05 1.96 0.00 0.00 0.00 179.25 181.78 1djm h GLN 100 N 0.59 -0.14 0.00 0.00 1.08 -0.59 -2.85 115.11 113.20 1djm h GLN 100 Ca 0.07 0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.23 1djm h GLN 100 Cb 0.81 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.27 1djm h GLN 100 CO 0.07 -0.04 -0.21 0.00 -0.95 0.00 0.00 178.83 177.70 1djm h ALA 101 N 0.68 1.65 -0.02 3.87 0.00 -0.71 -3.47 119.26 121.25 1djm h ALA 101 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1djm h ALA 101 Cb 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1djm h ALA 101 CO 0.03 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.94 1djm n GLY 102 N -0.93 1.47 3.68 0.00 0.00 -0.19 -4.87 105.19 104.35 1djm n GLY 102 Ca -0.02 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.02 1.56 0.31 4.61 0.00 -0.01 -4.92 121.76 121.29 1djm s ALA 103 Ca 0.00 0.62 0.02 0.00 0.00 0.00 0.00 51.96 52.60 1djm s ALA 103 Cb 0.00 -3.45 0.50 0.00 0.00 0.00 0.00 23.12 20.17 1djm s ALA 103 CO 0.00 -2.66 1.85 0.66 0.00 0.00 0.00 175.76 175.61 1djm h SER 104 N -1.70 0.63 0.00 0.00 4.64 -1.51 -3.47 113.55 112.13 1djm h SER 104 Ca -0.44 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 1djm h SER 104 Cb 1.27 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1djm h SER 104 CO 0.42 0.66 0.00 0.61 -0.87 0.00 0.00 176.83 177.66 1djm n GLY 105 N -0.86 -1.66 2.86 -0.77 0.00 -1.26 -4.91 105.19 98.59 1djm n GLY 105 Ca 0.03 -1.09 -0.17 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.24 0.37 -0.29 1.61 6.14 -1.26 -1.80 117.35 119.88 1djm s TYR 106 Ca 0.00 -0.04 -0.00 0.00 0.64 0.00 0.00 57.07 57.67 1djm s TYR 106 Cb 0.00 -0.39 0.09 0.00 0.42 0.00 0.00 41.96 42.08 1djm s TYR 106 CO 0.00 -0.11 0.06 0.08 0.64 0.00 0.00 175.55 176.23 1djm s VAL 107 N 0.73 1.08 0.52 3.14 1.01 0.48 -4.97 120.40 122.38 1djm s VAL 107 Ca -0.08 -1.37 -0.16 0.00 0.00 0.00 0.00 61.98 60.37 1djm s VAL 107 Cb -0.11 -1.72 -0.08 0.00 0.00 0.00 0.00 36.38 34.48 1djm s VAL 107 CO -0.01 -0.53 0.99 -0.69 0.00 0.00 0.00 175.10 174.86 1djm s VAL 108 N 1.54 4.53 0.74 2.92 1.01 -1.26 -1.93 120.40 127.95 1djm s VAL 108 Ca 0.06 1.21 -0.14 0.00 0.00 0.00 0.00 61.98 63.12 1djm s VAL 108 Cb -0.18 -3.72 0.04 0.00 0.00 0.00 0.00 36.38 32.53 1djm s VAL 108 CO -0.18 -0.70 1.17 -0.54 0.00 0.00 0.00 175.10 174.85 1djm s LYS 109 N -4.09 2.15 0.52 2.72 1.02 -0.06 -4.19 119.74 117.82 1djm s LYS 109 Ca 0.59 1.62 -0.19 0.00 0.02 0.00 0.00 55.97 58.01 1djm s LYS 109 Cb -0.10 -1.85 -0.07 0.00 -0.52 0.00 0.00 37.83 35.29 1djm s LYS 109 CO 0.32 -1.79 1.05 -1.25 -0.92 0.00 0.00 175.35 172.76 1djm s PRO 110 N -4.10 3.62 0.08 -1.68 0.04 -1.26 -4.97 135.00 126.72 1djm s PRO 110 Ca 0.71 1.35 -0.15 0.00 0.04 0.00 0.00 61.00 62.95 1djm s PRO 110 Cb -0.26 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.24 1djm s PRO 110 CO 0.47 -0.59 0.36 -0.59 0.04 0.00 0.00 177.00 176.69 1djm s PHE 111 N -2.08 -0.16 0.11 0.56 -0.12 -1.26 -5.11 117.98 109.92 1djm s PHE 111 Ca 0.67 -0.06 0.01 0.00 -0.05 0.00 0.00 56.93 57.49 1djm s PHE 111 Cb -0.17 0.18 -0.00 0.00 -0.63 0.00 0.00 43.02 42.39 1djm s PHE 111 CO 0.25 -0.61 0.12 0.25 -0.05 0.00 0.00 175.22 175.19 1djm n THR 112 N 0.15 0.00 0.11 -4.49 -2.24 -1.26 -5.03 114.28 101.52 1djm n THR 112 Ca -0.17 -0.65 0.16 0.00 -2.27 0.00 0.00 64.05 61.12 1djm n THR 112 Cb 0.62 0.36 0.70 0.00 -2.10 0.00 0.00 70.33 69.91 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 1.48 2.25 -0.01 6.98 0.00 -1.97 -1.19 119.26 126.80 1djm h ALA 113 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1djm h ALA 113 Cb 0.37 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1djm h ALA 113 CO 0.11 -0.42 0.01 0.00 0.00 0.00 0.00 179.25 178.96 1djm h ALA 114 N 1.81 1.54 0.05 0.00 0.00 -1.97 0.40 119.26 121.09 1djm h ALA 114 Ca 0.16 -0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.69 1djm h ALA 114 Cb 0.65 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 1djm h ALA 114 CO -0.00 -0.02 -2.26 -2.37 0.00 0.00 0.00 179.25 174.60 1djm n THR 115 N -3.84 1.61 -0.15 0.00 5.66 -0.53 -4.15 114.28 112.88 1djm n THR 115 Ca -0.03 -0.63 -0.04 0.00 -3.05 0.00 0.00 64.05 60.31 1djm n THR 115 Cb 0.10 -1.49 0.03 0.00 -1.55 0.00 0.00 70.33 67.42 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 0.03 -0.46 -1.39 1.09 7.12 -0.66 -0.35 115.31 120.69 1djm h LEU 116 Ca -0.51 0.14 -0.06 0.00 0.13 0.00 0.00 57.88 57.59 1djm h LEU 116 Cb 1.97 0.30 -0.01 0.00 -0.53 0.00 0.00 40.66 42.39 1djm h LEU 116 CO -0.01 -0.16 -0.21 1.05 -0.13 0.00 0.00 178.44 178.98 1djm h GLU 117 N -0.01 0.14 -0.00 1.25 -0.00 -1.17 -1.36 114.58 113.42 1djm h GLU 117 Ca 0.22 -0.04 -0.04 0.00 -0.00 0.00 0.00 59.36 59.51 1djm h GLU 117 Cb 0.35 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 29.09 1djm h GLU 117 CO -0.49 0.35 -0.15 1.49 -0.00 0.00 0.00 179.01 180.21 1djm h GLU 118 N 0.13 0.10 -0.70 1.06 4.81 -1.28 -1.64 114.58 117.07 1djm h GLU 118 Ca 0.02 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1djm h GLU 118 Cb 0.45 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 1djm h GLU 118 CO 0.03 0.87 0.36 0.87 -0.73 0.00 0.00 179.01 180.41 1djm h LYS 119 N -0.62 0.97 -0.20 1.92 1.79 -1.15 -1.66 116.57 117.63 1djm h LYS 119 Ca -0.02 -0.11 0.05 0.00 -2.18 0.00 0.00 60.65 58.39 1djm h LYS 119 Cb 0.92 -0.19 -0.06 0.00 -1.58 0.00 0.00 32.23 31.33 1djm h LYS 119 CO 0.03 0.73 -0.18 -0.07 -1.08 0.00 0.00 179.45 178.88 1djm h LEU 120 N 0.97 -0.58 -0.78 2.94 3.38 -1.21 -1.78 115.31 118.25 1djm h LEU 120 Ca 0.24 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.36 1djm h LEU 120 Cb 0.05 0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1djm h LEU 120 CO -0.04 -0.23 0.49 -1.13 0.09 0.00 0.00 178.44 177.63 1djm h ASN 121 N -0.20 0.80 -0.05 -0.43 -0.73 -0.54 0.24 115.58 114.66 1djm h ASN 121 Ca 0.12 0.00 0.04 0.00 1.87 0.00 0.00 56.30 58.33 1djm h ASN 121 Cb 0.38 -0.17 -0.05 0.00 0.27 0.00 0.00 38.32 38.75 1djm h ASN 121 CO -0.31 0.54 -0.21 0.11 -0.37 0.00 0.00 177.43 177.19 1djm h LYS 122 N 0.94 -0.29 0.00 6.67 1.57 -0.84 -1.84 116.57 122.78 1djm h LYS 122 Ca 0.32 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 1djm h LYS 122 Cb 0.05 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1djm h LYS 122 CO -0.13 -0.20 -0.07 -0.84 -0.57 0.00 0.00 179.45 177.65 1djm h ILE 123 N -0.30 0.14 -0.09 1.86 3.07 -0.79 0.17 117.51 121.56 1djm h ILE 123 Ca 0.08 -0.89 0.03 0.00 1.55 0.00 0.00 64.86 65.62 1djm h ILE 123 Cb 0.41 1.79 -0.03 0.00 -0.27 0.00 0.00 36.82 38.72 1djm h ILE 123 CO -0.23 0.06 -0.08 -0.26 -1.05 0.00 0.00 178.15 176.60 1djm h PHE 124 N 0.00 -0.19 0.06 0.16 0.04 0.14 0.19 116.94 117.35 1djm h PHE 124 Ca -0.00 0.01 -0.21 0.00 2.80 0.00 0.00 57.97 60.57 1djm h PHE 124 Cb 0.78 0.10 0.02 0.00 2.20 0.00 0.00 35.95 39.05 1djm h PHE 124 CO 0.00 -0.12 -0.86 0.93 -0.60 0.00 0.00 178.31 177.66 1djm h GLU 125 N -0.09 0.47 0.26 1.51 5.08 -1.19 -2.69 114.58 117.93 1djm h GLU 125 Ca 0.06 -0.59 -0.01 0.00 -1.00 0.00 0.00 59.36 57.82 1djm h GLU 125 Cb 0.18 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1djm h GLU 125 CO -0.15 1.23 -0.12 -0.22 -1.00 0.00 0.00 179.01 178.75 1djm h LYS 126 N -0.02 -0.33 0.00 2.33 3.64 -0.59 -3.33 116.57 118.27 1djm h LYS 126 Ca -0.13 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1djm h LYS 126 Cb 1.58 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.47 1djm h LYS 126 CO 0.17 -0.22 -0.23 -0.07 -2.27 0.00 0.00 179.45 176.82 1djm h LEU 127 N -0.89 0.00 -0.53 5.20 3.38 -1.21 -3.48 115.31 117.78 1djm h LEU 127 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1djm h LEU 127 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1djm h LEU 127 CO 0.06 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.25 1djm n GLY 128 N 1.13 0.88 0.13 0.83 0.00 -0.57 -5.02 105.19 102.57 1djm n GLY 128 Ca 0.03 -0.59 0.15 0.00 0.00 0.00 0.00 46.02 45.61 1djm n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35