#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 1.37 1.26 3.04 0.00 -1.26 -5.17 121.76 121.00 1djm s ALA 2 Ca 0.00 -1.72 -0.20 0.00 0.00 0.00 0.00 51.96 50.04 1djm s ALA 2 Cb 0.00 1.09 0.31 0.00 0.00 0.00 0.00 23.12 24.52 1djm s ALA 2 CO 0.00 -0.49 1.07 -0.51 0.00 0.00 0.00 175.76 175.83 1djm s ASP 3 N -3.21 0.42 0.62 0.00 1.11 -1.26 -4.91 116.67 109.46 1djm s ASP 3 Ca 0.35 0.68 0.31 0.00 0.18 0.00 0.00 52.55 54.06 1djm s ASP 3 Cb 0.07 -0.94 1.68 0.00 1.07 0.00 0.00 42.92 44.81 1djm s ASP 3 CO 0.10 -4.43 2.01 0.50 1.18 0.00 0.00 175.17 174.54 1djm h LYS 4 N -2.79 0.00 -4.22 8.23 1.63 -2.03 -3.45 116.57 113.93 1djm h LYS 4 Ca -0.44 0.00 -0.24 0.00 -0.85 0.00 0.00 60.65 59.12 1djm h LYS 4 Cb 1.30 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.91 1djm h LYS 4 CO 0.32 0.00 -0.32 0.39 -3.45 0.00 0.00 179.45 176.40 1djm n GLU 5 N -3.38 -2.52 -1.66 1.90 1.02 -1.26 -4.87 120.64 109.87 1djm n GLU 5 Ca 0.01 0.51 -0.49 0.00 -0.02 0.00 0.00 57.16 57.18 1djm n GLU 5 Cb 0.40 -5.12 -0.05 0.00 -0.02 0.00 0.00 31.44 26.66 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 -2.92 3.28 -4.75 -4.62 0.00 -1.26 -4.82 117.00 101.91 1djm n LEU 6 Ca -0.11 0.88 -0.39 0.00 0.00 0.00 0.00 56.01 56.40 1djm n LEU 6 Cb 0.59 -1.36 -0.06 0.00 0.00 0.00 0.00 43.42 42.59 1djm n LEU 6 CO 0.21 -0.16 0.30 -0.75 0.00 0.00 0.00 177.39 176.99 1djm s LYS 7 N 4.40 4.34 -0.62 1.96 2.47 -0.33 -4.74 119.74 127.22 1djm s LYS 7 Ca 0.95 0.74 -0.18 0.00 -1.56 0.00 0.00 55.97 55.92 1djm s LYS 7 Cb -0.70 -3.36 0.12 0.00 -1.46 0.00 0.00 37.83 32.42 1djm s LYS 7 CO 0.51 0.32 0.71 -0.06 0.16 0.00 0.00 175.35 176.99 1djm s PHE 8 N -0.02 3.09 0.26 4.03 0.40 -0.21 -1.81 117.98 123.73 1djm s PHE 8 Ca 0.32 -1.10 -0.30 0.00 -0.60 0.00 0.00 56.93 55.25 1djm s PHE 8 Cb -0.18 -3.99 -0.09 0.00 0.51 0.00 0.00 43.02 39.27 1djm s PHE 8 CO 0.17 -1.25 1.03 -1.17 0.70 0.00 0.00 175.22 174.70 1djm s LEU 9 N 2.36 4.59 -0.12 -0.37 2.96 -0.38 -0.52 118.68 127.20 1djm s LEU 9 Ca 0.12 2.13 -0.02 0.00 -0.22 0.00 0.00 54.13 56.14 1djm s LEU 9 Cb -0.23 -3.63 0.04 0.00 0.50 0.00 0.00 46.19 42.88 1djm s LEU 9 CO 0.04 -0.02 0.02 -0.69 -1.32 0.00 0.00 176.35 174.38 1djm s VAL 10 N -1.18 0.39 -0.41 1.68 1.01 -0.26 -1.34 120.40 120.30 1djm s VAL 10 Ca 0.43 -0.15 0.11 0.00 0.00 0.00 0.00 61.98 62.37 1djm s VAL 10 Cb -0.29 -0.72 0.39 0.00 0.00 0.00 0.00 36.38 35.76 1djm s VAL 10 CO 0.37 0.04 0.91 0.52 0.00 0.00 0.00 175.10 176.94 1djm n VAL 11 N 5.12 1.29 -1.82 2.92 0.31 0.04 -3.34 118.33 122.84 1djm n VAL 11 Ca -0.08 -4.38 -0.34 0.00 -0.01 0.00 0.00 64.34 59.53 1djm n VAL 11 Cb 0.49 -0.38 0.05 0.00 -0.91 0.00 0.00 33.84 33.08 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 -3.05 5.00 -0.08 4.52 1.11 -1.26 -1.02 116.67 121.89 1djm s ASP 12 Ca 0.39 2.21 -0.25 0.00 0.18 0.00 0.00 52.55 55.08 1djm s ASP 12 Cb 0.38 -2.58 -0.27 0.00 1.07 0.00 0.00 42.92 41.53 1djm s ASP 12 CO -0.08 -1.71 0.90 -0.78 1.18 0.00 0.00 175.17 174.69 1djm h ASP 13 N 0.35 0.21 -3.15 0.27 3.58 -1.90 -3.42 116.42 112.36 1djm h ASP 13 Ca -0.48 -0.90 -0.57 0.00 0.42 0.00 0.00 57.03 55.49 1djm h ASP 13 Cb 1.27 -0.07 -0.05 0.00 1.72 0.00 0.00 39.33 42.20 1djm h ASP 13 CO 0.54 1.09 0.89 0.12 -2.88 0.00 0.00 179.24 179.00 1djm s PHE 14 N -2.62 2.98 0.21 0.28 5.36 -1.26 -4.94 117.98 117.99 1djm s PHE 14 Ca -0.16 1.10 -0.09 0.00 -0.96 0.00 0.00 56.93 56.82 1djm s PHE 14 Cb -0.01 -3.65 0.26 0.00 -0.34 0.00 0.00 43.02 39.28 1djm s PHE 14 CO 0.75 -1.19 1.80 1.03 -1.46 0.00 0.00 175.22 176.15 1djm h SER 15 N 8.36 0.50 -0.85 6.13 0.87 -2.00 -0.22 113.55 126.35 1djm h SER 15 Ca -0.23 0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.39 1djm h SER 15 Cb 1.08 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.94 1djm h SER 15 CO 1.01 0.32 0.56 0.74 -0.53 0.00 0.00 176.83 178.93 1djm h THR 16 N 0.64 1.18 -0.97 2.23 2.02 -1.95 0.18 112.91 116.23 1djm h THR 16 Ca 0.31 -0.38 0.07 0.00 0.77 0.00 0.00 66.41 67.18 1djm h THR 16 Cb 0.24 -0.02 -0.07 0.00 -1.74 0.00 0.00 68.15 66.56 1djm h THR 16 CO -0.21 0.20 0.63 -0.03 0.37 0.00 0.00 175.52 176.48 1djm h MET 17 N 1.10 1.08 -0.57 6.66 -1.53 -1.45 0.39 114.93 120.61 1djm h MET 17 Ca 0.33 -0.06 -0.08 0.00 -3.44 0.00 0.00 59.70 56.44 1djm h MET 17 Cb -0.05 -0.24 -0.02 0.00 -0.55 0.00 0.00 31.60 30.73 1djm h MET 17 CO -0.08 0.71 0.05 -0.09 0.14 0.00 0.00 176.91 177.64 1djm h ARG 18 N 1.11 0.97 -0.41 0.39 2.43 -0.06 0.05 114.38 118.85 1djm h ARG 18 Ca 0.42 -0.28 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1djm h ARG 18 Cb 0.20 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 1djm h ARG 18 CO -0.17 0.95 0.24 -0.09 -1.51 0.00 0.00 179.97 179.39 1djm h ARG 19 N 0.86 0.47 0.82 0.20 9.65 -0.37 -1.46 114.38 124.55 1djm h ARG 19 Ca 0.17 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.98 1djm h ARG 19 Cb 0.48 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.95 1djm h ARG 19 CO 0.02 0.31 -0.47 0.82 2.80 0.00 0.00 179.97 183.45 1djm h ILE 20 N 0.48 0.06 -0.27 1.20 5.03 -0.23 0.12 117.51 123.90 1djm h ILE 20 Ca 0.17 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.97 1djm h ILE 20 Cb 0.02 0.06 -0.07 0.00 -3.03 0.00 0.00 36.82 33.80 1djm h ILE 20 CO -0.08 0.00 -0.19 0.58 -0.68 0.00 0.00 178.15 177.78 1djm h VAL 21 N -1.20 0.48 -0.53 1.67 2.07 -0.92 0.18 116.25 118.01 1djm h VAL 21 Ca -0.11 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1djm h VAL 21 Cb 0.95 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1djm h VAL 21 CO 0.13 0.00 0.25 -0.09 0.02 0.00 0.00 177.57 177.89 1djm h ARG 22 N -0.17 0.74 -0.39 1.57 1.12 -1.22 -0.02 114.38 116.00 1djm h ARG 22 Ca 0.15 -0.09 -0.04 0.00 -1.11 0.00 0.00 59.98 58.89 1djm h ARG 22 Cb 0.39 -0.14 -0.02 0.00 -0.01 0.00 0.00 29.97 30.19 1djm h ARG 22 CO -0.37 0.57 0.09 -0.97 -3.11 0.00 0.00 179.97 176.18 1djm h ASN 23 N 0.74 0.60 -0.69 -3.80 -1.24 0.53 -1.73 115.58 109.99 1djm h ASN 23 Ca 0.18 -0.24 -0.04 0.00 0.71 0.00 0.00 56.30 56.91 1djm h ASN 23 Cb 0.08 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 38.94 1djm h ASN 23 CO -0.03 0.69 0.28 -0.07 -1.29 0.00 0.00 177.43 177.01 1djm h LEU 24 N 0.49 0.97 -0.46 0.34 3.38 0.01 0.02 115.31 120.05 1djm h LEU 24 Ca 0.12 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1djm h LEU 24 Cb 0.33 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1djm h LEU 24 CO 0.00 0.87 0.29 -0.07 0.09 0.00 0.00 178.44 179.62 1djm h LEU 25 N 1.03 0.55 -1.75 1.67 3.38 -0.95 -2.12 115.31 117.13 1djm h LEU 25 Ca 0.24 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1djm h LEU 25 Cb 0.20 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1djm h LEU 25 CO -0.02 0.43 -0.16 0.11 0.09 0.00 0.00 178.44 178.89 1djm h LYS 26 N 0.62 0.00 0.00 1.13 1.79 -0.60 -0.45 116.57 119.07 1djm h LYS 26 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1djm h LYS 26 Cb -0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1djm h LYS 26 CO -0.03 0.16 0.00 0.39 -1.08 0.00 0.00 179.45 178.89 1djm n GLU 27 N -4.06 0.09 0.00 3.15 1.02 -0.07 -3.20 120.64 117.57 1djm n GLU 27 Ca -0.02 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1djm n GLU 27 Cb 0.24 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1djm n GLU 27 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1djm n LEU 28 N -1.42 1.70 -1.07 -4.62 4.77 -0.25 -5.01 117.00 111.09 1djm n LEU 28 Ca 0.05 -1.70 -0.01 0.00 -0.03 0.00 0.00 56.01 54.32 1djm n LEU 28 Cb 0.17 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1djm n LEU 28 CO 0.15 0.43 0.01 0.61 -1.33 0.00 0.00 177.39 177.25 1djm n GLY 29 N -0.37 0.49 2.80 -0.72 0.00 -0.92 -5.06 105.19 101.40 1djm n GLY 29 Ca 0.00 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.02 1.50 0.00 1.61 0.08 -0.74 -5.00 117.98 112.41 1djm s PHE 30 Ca 0.01 -1.21 0.00 0.00 0.12 0.00 0.00 56.93 55.85 1djm s PHE 30 Cb -0.00 -1.25 0.00 0.00 -0.57 0.00 0.00 43.02 41.19 1djm s PHE 30 CO 0.05 -0.68 0.09 0.27 -0.10 0.00 0.00 175.22 174.85 1djm n ASN 31 N 4.92 0.19 -2.00 1.36 0.23 -1.26 -3.14 115.26 115.56 1djm n ASN 31 Ca -0.09 -0.55 -0.10 0.00 -0.53 0.00 0.00 54.58 53.30 1djm n ASN 31 Cb 0.46 0.66 -0.14 0.00 -2.08 0.00 0.00 39.78 38.68 1djm n ASN 31 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1djm n ASN 32 N -0.66 4.86 -4.87 0.53 3.02 -1.26 -4.91 115.26 111.96 1djm n ASN 32 Ca 0.00 -2.40 -0.31 0.00 -0.03 0.00 0.00 54.58 51.84 1djm n ASN 32 Cb 0.01 -1.29 0.01 0.00 -0.61 0.00 0.00 39.78 37.89 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 1.07 4.71 0.21 2.41 -7.23 -1.26 -1.04 120.40 119.26 1djm s VAL 33 Ca 0.57 0.85 -0.07 0.00 -1.81 0.00 0.00 61.98 61.53 1djm s VAL 33 Cb 0.27 -3.86 -0.02 0.00 0.56 0.00 0.00 36.38 33.33 1djm s VAL 33 CO 0.00 -1.09 0.28 -0.70 -0.31 0.00 0.00 175.10 173.28 1djm s GLU 34 N -5.07 1.31 0.22 4.82 2.56 0.32 -4.80 118.70 118.06 1djm s GLU 34 Ca 0.55 -1.41 0.03 0.00 0.00 0.00 0.00 54.97 54.14 1djm s GLU 34 Cb -0.11 0.36 -0.05 0.00 2.00 0.00 0.00 34.13 36.33 1djm s GLU 34 CO 0.52 -0.48 0.02 -1.21 -0.56 0.00 0.00 175.26 173.54 1djm s GLU 35 N -4.07 1.30 0.22 4.30 2.02 -1.26 -1.10 118.70 120.10 1djm s GLU 35 Ca 0.29 -1.66 0.00 0.00 0.02 0.00 0.00 54.97 53.62 1djm s GLU 35 Cb 0.04 -0.46 -0.05 0.00 0.10 0.00 0.00 34.13 33.76 1djm s GLU 35 CO 0.08 -0.15 0.09 0.00 0.02 0.00 0.00 175.26 175.31 1djm s ALA 36 N -3.55 1.41 0.15 5.21 0.00 -1.21 -4.86 121.76 118.91 1djm s ALA 36 Ca 0.29 -1.74 0.01 0.00 0.00 0.00 0.00 51.96 50.53 1djm s ALA 36 Cb 0.06 1.08 -0.06 0.00 0.00 0.00 0.00 23.12 24.20 1djm s ALA 36 CO 0.09 -0.49 1.33 0.93 0.00 0.00 0.00 175.76 177.62 1djm h GLU 37 N 2.55 0.21 -1.93 0.00 4.39 -1.94 -3.45 114.58 114.40 1djm h GLU 37 Ca -0.37 -0.25 0.37 0.00 0.34 0.00 0.00 59.36 59.45 1djm h GLU 37 Cb 1.24 0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 29.88 1djm h GLU 37 CO 0.58 1.00 0.95 0.16 -1.16 0.00 0.00 179.01 180.54 1djm s ASP 38 N -6.95 -0.00 0.35 1.42 -4.77 -1.26 -4.94 116.67 100.51 1djm s ASP 38 Ca -0.03 -0.12 0.11 0.00 -3.30 0.00 0.00 52.55 49.22 1djm s ASP 38 Cb 0.10 0.09 0.90 0.00 -1.09 0.00 0.00 42.92 42.91 1djm s ASP 38 CO 0.84 -0.17 1.79 1.23 0.70 0.00 0.00 175.17 179.55 1djm h GLY 39 N 2.00 1.50 0.90 2.12 0.00 -1.90 0.23 103.07 107.92 1djm h GLY 39 Ca -0.23 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 46.77 1djm h GLY 39 CO 0.30 -0.08 0.05 -2.08 0.00 0.00 0.00 176.54 174.73 1djm h VAL 40 N 0.60 1.24 -0.49 4.60 2.07 -1.97 -0.33 116.25 121.96 1djm h VAL 40 Ca 0.57 -0.83 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 1djm h VAL 40 Cb 1.11 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 1djm h VAL 40 CO -0.33 0.27 -0.02 -0.78 0.02 0.00 0.00 177.57 176.74 1djm h ASP 41 N 0.37 0.81 -0.02 0.57 3.58 -1.78 -2.57 116.42 117.39 1djm h ASP 41 Ca 0.10 -0.21 0.01 0.00 0.42 0.00 0.00 57.03 57.35 1djm h ASP 41 Cb 0.36 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 1djm h ASP 41 CO 0.01 0.88 -0.05 0.00 -2.88 0.00 0.00 179.24 177.20 1djm h ALA 42 N 1.20 -0.04 -0.76 -0.78 0.00 0.02 0.78 119.26 119.68 1djm h ALA 42 Ca 0.15 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.16 1djm h ALA 42 Cb 0.49 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1djm h ALA 42 CO 0.02 -0.54 0.42 1.25 0.00 0.00 0.00 179.25 180.40 1djm h LEU 43 N -0.09 0.58 -1.61 0.00 5.85 -1.04 -0.94 115.31 118.07 1djm h LEU 43 Ca 0.03 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1djm h LEU 43 Cb 0.13 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 1djm h LEU 43 CO -0.07 0.34 -0.16 -1.13 -0.34 0.00 0.00 178.44 177.08 1djm h ASN 44 N 0.71 0.00 0.32 1.25 -1.24 -0.86 -1.41 115.58 114.35 1djm h ASN 44 Ca 0.37 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.36 1djm h ASN 44 Cb 0.34 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.39 1djm h ASN 44 CO -0.24 0.16 -0.15 0.11 -1.29 0.00 0.00 177.43 176.01 1djm h LYS 45 N 0.00 -0.42 -0.39 6.67 6.56 0.43 -3.07 116.57 126.35 1djm h LYS 45 Ca -0.00 0.03 0.06 0.00 -1.06 0.00 0.00 60.65 59.68 1djm h LYS 45 Cb 0.50 0.09 -0.05 0.00 -0.57 0.00 0.00 32.23 32.20 1djm h LYS 45 CO 0.02 -0.11 0.08 -0.07 -2.06 0.00 0.00 179.45 177.31 1djm h LEU 46 N -0.74 0.01 0.00 2.94 3.38 -0.41 0.83 115.31 121.32 1djm h LEU 46 Ca -0.04 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1djm h LEU 46 Cb 0.50 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1djm h LEU 46 CO 0.07 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.65 1djm n GLN 47 N -5.09 0.98 0.16 1.13 10.64 -0.73 -1.84 117.38 122.63 1djm n GLN 47 Ca 0.02 0.00 0.10 0.00 -1.83 0.00 0.00 57.00 55.30 1djm n GLN 47 Cb 0.18 -1.46 0.08 0.00 -0.86 0.00 0.00 30.24 28.18 1djm n GLN 47 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1djm h ALA 48 N 3.88 0.77 0.00 2.61 0.00 -0.73 -3.51 119.26 122.28 1djm h ALA 48 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1djm h ALA 48 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1djm h ALA 48 CO 0.00 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.78 1djm n GLY 49 N 1.16 2.38 1.44 0.00 0.00 -0.76 -5.02 105.19 104.39 1djm n GLY 49 Ca 0.02 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 1.54 2.04 3.68 -0.02 0.00 -1.26 -4.95 105.19 106.21 1djm n GLY 50 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.32 3.15 0.00 1.61 1.51 -1.26 -1.18 117.35 118.85 1djm s TYR 51 Ca 0.00 1.19 0.00 0.00 -1.01 0.00 0.00 57.07 57.25 1djm s TYR 51 Cb 0.00 -3.43 0.00 0.00 -0.11 0.00 0.00 41.96 38.42 1djm s TYR 51 CO 0.00 -1.35 0.34 0.41 -1.11 0.00 0.00 175.55 173.84 1djm n GLY 52 N 3.40 -0.69 2.86 0.71 0.00 -0.75 -4.83 105.19 105.88 1djm n GLY 52 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.18 0.04 -0.55 1.61 0.40 -0.99 -4.38 117.98 113.93 1djm s PHE 53 Ca 0.00 0.02 0.04 0.00 -0.60 0.00 0.00 56.93 56.39 1djm s PHE 53 Cb 0.00 -0.07 0.17 0.00 0.51 0.00 0.00 43.02 43.63 1djm s PHE 53 CO 0.00 -0.02 0.41 0.08 0.70 0.00 0.00 175.22 176.39 1djm s VAL 54 N 0.22 1.50 -0.19 -0.44 1.01 -0.70 -1.25 120.40 120.55 1djm s VAL 54 Ca -0.02 -3.40 -0.16 0.00 0.00 0.00 0.00 61.98 58.41 1djm s VAL 54 Cb -0.03 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1djm s VAL 54 CO -0.01 -1.13 0.40 -0.63 0.00 0.00 0.00 175.10 173.73 1djm s ILE 55 N -0.63 5.20 0.15 2.22 1.01 -0.45 -1.25 121.20 127.45 1djm s ILE 55 Ca 0.29 0.72 -0.07 0.00 0.00 0.00 0.00 60.65 61.59 1djm s ILE 55 Cb 0.00 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 1djm s ILE 55 CO -0.18 0.26 0.23 -0.94 0.00 0.00 0.00 174.94 174.31 1djm s SER 56 N 0.97 0.10 1.35 3.58 1.04 -0.70 -0.78 113.70 119.26 1djm s SER 56 Ca 0.20 -0.94 -0.22 0.00 0.48 0.00 0.00 55.95 55.46 1djm s SER 56 Cb -0.15 0.40 0.34 0.00 0.10 0.00 0.00 66.02 66.72 1djm s SER 56 CO 0.08 -0.85 1.02 -0.62 0.98 0.00 0.00 173.24 173.85 1djm s ASP 57 N -2.98 -0.35 -0.21 7.02 -1.08 -0.19 -0.43 116.67 118.45 1djm s ASP 57 Ca 0.18 0.63 -0.22 0.00 -0.52 0.00 0.00 52.55 52.63 1djm s ASP 57 Cb 0.04 -0.85 -0.19 0.00 -1.46 0.00 0.00 42.92 40.46 1djm s ASP 57 CO 0.00 -4.90 0.22 -0.25 0.52 0.00 0.00 175.17 170.76 1djm h TRP 58 N -3.11 0.00 -3.65 -5.34 2.91 -1.90 -3.32 115.95 101.55 1djm h TRP 58 Ca -0.42 -0.00 -0.52 0.00 1.13 0.00 0.00 58.89 59.09 1djm h TRP 58 Cb 1.31 -0.00 0.03 0.00 -0.51 0.00 0.00 29.16 29.99 1djm h TRP 58 CO -3.20 1.48 0.55 -0.80 -1.03 0.00 0.00 178.44 175.45 1djm s ASN 59 N -6.85 7.08 0.19 2.65 0.02 -1.26 -0.96 114.94 115.83 1djm s ASN 59 Ca -0.29 2.33 -0.08 0.00 -1.02 0.00 0.00 52.86 53.80 1djm s ASN 59 Cb 0.06 -2.62 -0.01 0.00 0.02 0.00 0.00 41.25 38.69 1djm s ASN 59 CO 0.59 -0.33 0.31 -0.04 0.02 0.00 0.00 177.10 177.65 1djm s MET 60 N -0.90 1.27 0.51 -0.60 -1.94 -1.26 -4.36 119.30 112.01 1djm s MET 60 Ca 0.50 -1.28 0.29 0.00 -1.71 0.00 0.00 55.69 53.48 1djm s MET 60 Cb -0.34 0.38 1.30 0.00 2.01 0.00 0.00 34.83 38.19 1djm s MET 60 CO 0.41 -0.48 1.98 -1.00 -0.01 0.00 0.00 175.02 175.92 1djm h PRO 61 N 2.48 0.00 0.00 2.03 0.13 -1.96 -3.44 132.00 131.24 1djm h PRO 61 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1djm h PRO 61 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1djm h PRO 61 CO 0.46 0.12 0.00 0.09 -0.23 0.00 0.00 178.00 178.44 1djm n ASN 62 N -3.38 0.00 -4.55 1.44 3.02 -1.26 -5.02 115.26 105.51 1djm n ASN 62 Ca -0.01 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.15 1djm n ASN 62 Cb 0.31 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.45 1djm n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1djm s MET 63 N 0.00 3.20 0.94 3.52 1.75 -1.26 -4.99 119.30 122.45 1djm s MET 63 Ca 0.00 -0.41 -0.10 0.00 -1.25 0.00 0.00 55.69 53.92 1djm s MET 63 Cb 0.00 -4.63 0.16 0.00 2.84 0.00 0.00 34.83 33.20 1djm s MET 63 CO 0.00 -2.32 1.13 0.16 -0.65 0.00 0.00 175.02 173.33 1djm s ASP 64 N 4.94 2.77 0.49 1.11 1.47 -1.26 -3.22 116.67 122.96 1djm s ASP 64 Ca 0.45 2.09 0.15 0.00 1.18 0.00 0.00 52.55 56.41 1djm s ASP 64 Cb -0.06 -2.53 1.16 0.00 -0.34 0.00 0.00 42.92 41.15 1djm s ASP 64 CO 0.07 -3.18 2.09 1.23 0.68 0.00 0.00 175.17 176.05 1djm h GLY 65 N -1.92 0.00 1.20 2.12 0.00 -1.15 0.51 103.07 103.84 1djm h GLY 65 Ca -0.45 -0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.67 1djm h GLY 65 CO 0.43 0.00 -0.66 -2.00 0.00 0.00 0.00 176.54 174.31 1djm h LEU 66 N 0.00 0.93 -0.79 3.11 7.12 -1.86 -0.76 115.31 123.07 1djm h LEU 66 Ca 0.00 -0.55 -0.10 0.00 0.13 0.00 0.00 57.88 57.36 1djm h LEU 66 Cb 0.13 -0.27 -0.02 0.00 -0.53 0.00 0.00 40.66 39.97 1djm h LEU 66 CO 0.01 1.35 -0.12 -0.33 -0.13 0.00 0.00 178.44 179.22 1djm h GLU 67 N 0.59 0.78 0.37 1.25 4.39 -1.61 1.00 114.58 121.35 1djm h GLU 67 Ca -0.02 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.40 1djm h GLU 67 Cb 1.28 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1djm h GLU 67 CO 0.14 0.87 -0.21 1.25 -1.16 0.00 0.00 179.01 179.90 1djm h LEU 68 N 0.71 -0.50 -0.32 1.33 5.85 -0.79 0.18 115.31 121.76 1djm h LEU 68 Ca 0.12 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.93 1djm h LEU 68 Cb 0.60 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.70 1djm h LEU 68 CO 0.04 -0.34 -0.18 0.25 -0.34 0.00 0.00 178.44 177.87 1djm h LEU 69 N -0.54 -0.61 -1.44 2.25 5.85 -1.05 0.24 115.31 120.01 1djm h LEU 69 Ca -0.05 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1djm h LEU 69 Cb 0.43 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 1djm h LEU 69 CO 0.06 -0.22 -0.21 0.11 -0.34 0.00 0.00 178.44 177.84 1djm h LYS 70 N -0.14 0.00 0.01 1.25 1.57 -0.52 0.86 116.57 119.60 1djm h LYS 70 Ca 0.17 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1djm h LYS 70 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1djm h LYS 70 CO -0.41 0.21 -0.01 1.15 -0.57 0.00 0.00 179.45 179.83 1djm h THR 71 N 0.00 1.41 -0.34 -0.16 2.02 -0.09 -3.27 112.91 112.48 1djm h THR 71 Ca -0.00 -1.31 0.05 0.00 0.77 0.00 0.00 66.41 65.91 1djm h THR 71 Cb 0.59 2.29 -0.02 0.00 -1.74 0.00 0.00 68.15 69.27 1djm h THR 71 CO 0.03 0.34 0.23 0.40 0.37 0.00 0.00 175.52 176.88 1djm h ILE 72 N -0.59 0.97 -0.00 3.11 2.04 -0.23 0.14 117.51 122.95 1djm h ILE 72 Ca -0.00 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1djm h ILE 72 Cb 0.56 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1djm h ILE 72 CO 0.00 0.05 0.06 -0.09 0.00 0.00 0.00 178.15 178.17 1djm h ARG 73 N 0.26 0.00 -0.28 2.37 2.43 -0.90 -2.13 114.38 116.13 1djm h ARG 73 Ca 0.15 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.08 1djm h ARG 73 Cb 0.25 0.00 -0.24 0.00 -0.42 0.00 0.00 29.97 29.55 1djm h ARG 73 CO -0.03 0.00 -0.64 0.00 -1.51 0.00 0.00 179.97 177.79 1djm n ALA 74 N -2.06 2.39 -3.00 2.80 0.00 0.45 -4.78 120.51 116.31 1djm n ALA 74 Ca -0.03 -1.84 0.00 0.00 0.00 0.00 0.00 53.44 51.57 1djm n ALA 74 Cb 0.12 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.76 0.30 -2.50 0.00 5.75 -0.96 -4.94 116.55 113.45 1djm n ASP 75 Ca -0.03 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.71 1djm n ASP 75 Cb 0.84 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.90 1djm n ASP 75 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1djm n GLY 76 N 3.21 1.64 2.57 6.12 0.00 -1.26 -4.47 105.19 112.99 1djm n GLY 76 Ca 0.00 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 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 3.19 -0.32 1.02 4.61 0.00 -1.26 -4.89 120.51 122.86 1djm n ALA 77 Ca 0.12 0.31 0.09 0.00 0.00 0.00 0.00 53.44 53.97 1djm n ALA 77 Cb 0.20 -2.00 0.51 0.00 0.00 0.00 0.00 19.45 18.15 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 -2.45 0.43 0.20 0.00 2.81 -1.26 -4.26 117.12 112.59 1djm n MET 78 Ca -0.20 0.05 0.17 0.00 -1.81 0.00 0.00 57.70 55.91 1djm n MET 78 Cb 0.66 -1.50 0.81 0.00 -0.71 0.00 0.00 33.22 32.48 1djm n MET 78 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1djm h SER 79 N 0.00 0.00 0.73 7.83 4.64 -1.69 0.85 113.55 125.91 1djm h SER 79 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1djm h SER 79 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1djm h SER 79 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1djm h ALA 80 N 1.79 1.00 -2.57 5.18 0.00 -1.86 -3.45 119.26 119.34 1djm h ALA 80 Ca 0.09 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.44 1djm h ALA 80 Cb 0.48 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.37 1djm h ALA 80 CO -0.00 0.00 0.60 1.28 0.00 0.00 0.00 179.25 181.13 1djm n LEU 81 N -2.90 3.71 -4.55 0.00 4.77 0.29 -4.89 117.00 113.43 1djm n LEU 81 Ca 0.00 1.19 -0.39 0.00 -0.03 0.00 0.00 56.01 56.78 1djm n LEU 81 Cb 0.23 -1.50 -0.03 0.00 -2.33 0.00 0.00 43.42 39.79 1djm n LEU 81 CO 0.24 -0.34 1.52 -2.16 -1.33 0.00 0.00 177.39 175.32 1djm s PRO 82 N -1.51 2.75 -0.40 3.23 0.04 -1.26 -4.87 135.00 132.97 1djm s PRO 82 Ca 0.58 0.46 -0.20 0.00 0.04 0.00 0.00 61.00 61.88 1djm s PRO 82 Cb -0.56 -4.34 0.01 0.00 0.04 0.00 0.00 34.50 29.65 1djm s PRO 82 CO 0.59 -2.60 0.59 0.14 0.04 0.00 0.00 177.00 175.76 1djm s VAL 83 N 8.37 4.91 -0.24 -0.36 -7.23 -1.26 -1.72 120.40 122.87 1djm s VAL 83 Ca 0.61 0.18 0.02 0.00 -1.81 0.00 0.00 61.98 60.98 1djm s VAL 83 Cb -0.12 -4.11 0.05 0.00 0.56 0.00 0.00 36.38 32.76 1djm s VAL 83 CO 0.20 -0.45 -0.12 -0.22 -0.31 0.00 0.00 175.10 174.20 1djm s LEU 84 N 2.62 3.10 -0.24 1.32 2.96 -0.38 -0.99 118.68 127.07 1djm s LEU 84 Ca 0.21 -1.22 -0.29 0.00 -0.22 0.00 0.00 54.13 52.60 1djm s LEU 84 Cb -0.15 -1.50 -0.00 0.00 0.50 0.00 0.00 46.19 45.04 1djm s LEU 84 CO 0.16 -0.15 1.27 -0.04 -1.32 0.00 0.00 176.35 176.27 1djm s MET 85 N 1.17 4.08 -0.27 1.98 -1.94 -0.71 -1.72 119.30 121.89 1djm s MET 85 Ca -0.06 1.44 -0.01 0.00 -1.71 0.00 0.00 55.69 55.35 1djm s MET 85 Cb -0.18 -3.81 0.08 0.00 2.01 0.00 0.00 34.83 32.93 1djm s MET 85 CO -0.07 -0.91 0.05 0.08 -0.01 0.00 0.00 175.02 174.17 1djm s VAL 86 N 3.91 0.98 0.29 -6.03 1.01 0.42 -0.17 120.40 120.82 1djm s VAL 86 Ca 0.55 -1.21 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 1djm s VAL 86 Cb -0.19 -1.59 -0.00 0.00 0.00 0.00 0.00 36.38 34.60 1djm s VAL 86 CO 0.18 -0.46 0.45 0.28 0.00 0.00 0.00 175.10 175.55 1djm s THR 87 N 1.60 0.00 -0.71 3.92 -1.32 -0.95 -3.48 115.64 114.70 1djm s THR 87 Ca 0.04 -1.55 0.25 0.00 -1.21 0.00 0.00 61.69 59.22 1djm s THR 87 Cb -0.18 -2.46 0.07 0.00 -1.51 0.00 0.00 72.50 68.42 1djm s THR 87 CO -0.17 0.00 1.39 0.00 -2.21 0.00 0.00 174.62 173.63 1djm n ALA 88 N -0.46 2.93 -2.54 11.08 0.00 -1.26 -1.20 120.51 129.07 1djm n ALA 88 Ca -0.00 -0.24 -0.41 0.00 0.00 0.00 0.00 53.44 52.79 1djm n ALA 88 Cb 0.62 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 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 -3.13 3.31 0.00 0.00 0.41 -1.26 -4.70 118.70 113.33 1djm s GLU 89 Ca 0.07 -0.53 0.00 0.00 -0.41 0.00 0.00 54.97 54.11 1djm s GLU 89 Cb 0.14 -4.59 0.00 0.00 -1.78 0.00 0.00 34.13 27.90 1djm s GLU 89 CO 0.70 -2.19 0.00 0.00 -0.49 0.00 0.00 175.26 173.28 1djm n ALA 90 N 9.31 0.00 -2.73 5.21 0.00 -1.26 -4.91 120.51 126.13 1djm n ALA 90 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.55 1djm n ALA 90 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.92 1djm n ALA 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1djm n LYS 91 N 0.00 -3.16 -0.33 0.00 4.81 -1.26 -4.27 118.16 113.95 1djm n LYS 91 Ca 0.00 2.46 0.12 0.00 -0.87 0.00 0.00 58.31 60.02 1djm n LYS 91 Cb 0.00 -3.18 0.26 0.00 0.02 0.00 0.00 35.03 32.13 1djm n LYS 91 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1djm h LYS 92 N 4.50 0.02 -0.45 1.64 1.57 -1.99 0.30 116.57 122.17 1djm h LYS 92 Ca -0.28 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.48 1djm h LYS 92 Cb 0.64 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 1djm h LYS 92 CO 0.00 0.01 0.19 1.49 -0.57 0.00 0.00 179.45 180.58 1djm h GLU 93 N 0.02 0.63 -0.48 3.15 4.81 -1.99 -0.41 114.58 120.31 1djm h GLU 93 Ca 0.56 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.67 1djm h GLU 93 Cb 1.11 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.35 1djm h GLU 93 CO -0.90 0.51 0.11 -0.91 -0.73 0.00 0.00 179.01 177.09 1djm h ASN 94 N 0.63 0.73 -0.59 1.04 4.21 -0.67 0.07 115.58 121.00 1djm h ASN 94 Ca 0.16 -0.24 0.06 0.00 1.21 0.00 0.00 56.30 57.49 1djm h ASN 94 Cb 0.10 -0.19 -0.05 0.00 -1.12 0.00 0.00 38.32 37.06 1djm h ASN 94 CO -0.02 0.78 0.30 0.40 -1.29 0.00 0.00 177.43 177.60 1djm h ILE 95 N 0.65 0.94 0.59 2.81 5.03 -0.28 -0.10 117.51 127.15 1djm h ILE 95 Ca 0.15 -0.19 -0.02 0.00 -0.12 0.00 0.00 64.86 64.67 1djm h ILE 95 Cb 0.34 0.32 -0.00 0.00 -3.03 0.00 0.00 36.82 34.45 1djm h ILE 95 CO 0.00 0.10 -0.34 0.40 -0.68 0.00 0.00 178.15 177.64 1djm h ILE 96 N 0.57 0.30 -0.92 -0.67 2.04 -0.85 -1.11 117.51 116.88 1djm h ILE 96 Ca 0.27 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.23 1djm h ILE 96 Cb 0.18 0.30 -0.08 0.00 -0.74 0.00 0.00 36.82 36.49 1djm h ILE 96 CO -0.19 0.00 0.55 0.00 0.00 0.00 0.00 178.15 178.51 1djm h ALA 97 N -0.52 1.35 0.23 1.87 0.00 -0.50 0.24 119.26 121.93 1djm h ALA 97 Ca -0.07 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1djm h ALA 97 Cb 0.70 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1djm h ALA 97 CO 0.09 0.15 -0.21 0.00 0.00 0.00 0.00 179.25 179.29 1djm h ALA 98 N 1.50 -0.44 -0.31 0.00 0.00 -0.96 -0.62 119.26 118.44 1djm h ALA 98 Ca 0.45 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.32 1djm h ALA 98 Cb 0.44 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1djm h ALA 98 CO -0.26 -0.77 0.14 0.00 0.00 0.00 0.00 179.25 178.36 1djm h ALA 99 N 0.26 0.37 0.32 0.00 0.00 0.29 0.17 119.26 120.66 1djm h ALA 99 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1djm h ALA 99 Cb 0.42 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1djm h ALA 99 CO -0.03 -0.24 -0.34 1.96 0.00 0.00 0.00 179.25 180.59 1djm h GLN 100 N 0.30 -0.67 0.00 0.00 4.20 -0.54 -1.87 115.11 116.54 1djm h GLN 100 Ca 0.13 0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 1djm h GLN 100 Cb 0.06 0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 1djm h GLN 100 CO -0.10 -0.45 -0.01 0.00 -0.67 0.00 0.00 178.83 177.60 1djm h ALA 101 N -0.20 1.12 -0.10 3.87 0.00 -0.94 -3.46 119.26 119.56 1djm h ALA 101 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1djm h ALA 101 Cb 0.64 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1djm h ALA 101 CO -0.08 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.60 1djm n GLY 102 N -0.95 1.36 3.74 0.00 0.00 -0.19 -4.92 105.19 104.23 1djm n GLY 102 Ca -0.02 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.10 2.55 -1.39 4.61 0.00 0.42 -4.91 121.76 120.94 1djm s ALA 103 Ca 0.00 1.19 0.29 0.00 0.00 0.00 0.00 51.96 53.43 1djm s ALA 103 Cb 0.00 -3.53 1.18 0.00 0.00 0.00 0.00 23.12 20.77 1djm s ALA 103 CO 0.00 -1.40 1.85 0.43 0.00 0.00 0.00 175.76 176.63 1djm n SER 104 N -1.56 0.30 0.00 0.00 7.64 -0.16 -4.81 113.62 115.03 1djm n SER 104 Ca 0.14 -0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1djm n SER 104 Cb 0.48 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1djm n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1djm n GLY 105 N 1.36 0.25 3.02 0.23 0.00 -1.21 -4.78 105.19 104.05 1djm n GLY 105 Ca 0.12 -1.14 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 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 0.45 -0.03 1.61 6.14 -1.26 -1.73 117.35 120.54 1djm s TYR 106 Ca 0.00 -0.53 -0.02 0.00 0.64 0.00 0.00 57.07 57.16 1djm s TYR 106 Cb 0.00 -0.29 0.01 0.00 0.42 0.00 0.00 41.96 42.10 1djm s TYR 106 CO 0.00 -0.14 0.07 0.08 0.64 0.00 0.00 175.55 176.20 1djm s VAL 107 N -1.48 -0.01 0.02 3.14 1.01 0.77 -4.92 120.40 118.93 1djm s VAL 107 Ca -0.13 0.02 0.08 0.00 0.00 0.00 0.00 61.98 61.96 1djm s VAL 107 Cb -0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 1djm s VAL 107 CO -0.01 0.01 -0.23 -0.69 0.00 0.00 0.00 175.10 174.18 1djm s VAL 108 N 0.17 2.36 0.84 2.92 1.01 -1.26 -2.23 120.40 124.21 1djm s VAL 108 Ca -0.01 -1.24 -0.13 0.00 0.00 0.00 0.00 61.98 60.60 1djm s VAL 108 Cb -0.02 -1.92 0.07 0.00 0.00 0.00 0.00 36.38 34.51 1djm s VAL 108 CO -0.00 0.42 0.97 2.29 0.00 0.00 0.00 175.10 178.77 1djm n LYS 109 N 1.89 0.02 -1.94 2.72 -0.00 -0.34 -4.30 118.16 116.20 1djm n LYS 109 Ca -0.17 0.08 -0.33 0.00 -0.00 0.00 0.00 58.31 57.89 1djm n LYS 109 Cb 0.52 -2.25 0.03 0.00 -0.00 0.00 0.00 35.03 33.33 1djm n LYS 109 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1djm s PRO 110 N -3.92 3.10 0.16 -1.58 0.04 -1.26 -4.98 135.00 126.55 1djm s PRO 110 Ca 0.69 1.33 -0.22 0.00 0.04 0.00 0.00 61.00 62.84 1djm s PRO 110 Cb -0.28 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.33 1djm s PRO 110 CO 0.56 -1.01 0.57 -0.59 0.04 0.00 0.00 177.00 176.57 1djm s PHE 111 N -2.33 -0.45 0.35 0.56 -0.71 -1.26 -5.13 117.98 109.00 1djm s PHE 111 Ca 0.66 0.21 -0.01 0.00 -1.04 0.00 0.00 56.93 56.76 1djm s PHE 111 Cb -0.19 0.51 0.00 0.00 -1.21 0.00 0.00 43.02 42.13 1djm s PHE 111 CO 0.38 -0.84 0.46 0.25 -1.34 0.00 0.00 175.22 174.13 1djm n THR 112 N -0.35 0.00 0.21 -4.49 -2.24 -1.26 -5.02 114.28 101.13 1djm n THR 112 Ca -0.16 -1.85 0.11 0.00 -2.27 0.00 0.00 64.05 59.87 1djm n THR 112 Cb 0.64 1.11 0.66 0.00 -2.10 0.00 0.00 70.33 70.64 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 2.03 2.09 0.00 6.98 0.00 -1.98 -0.85 119.26 127.53 1djm h ALA 113 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1djm h ALA 113 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1djm h ALA 113 CO 0.36 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.48 1djm h ALA 114 N 1.95 1.00 0.04 0.00 0.00 -1.96 0.99 119.26 121.28 1djm h ALA 114 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.59 1djm h ALA 114 Cb 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1djm h ALA 114 CO -0.00 0.00 -2.23 -2.37 0.00 0.00 0.00 179.25 174.65 1djm n THR 115 N -2.76 1.59 -0.04 0.00 5.66 -0.42 -4.12 114.28 114.20 1djm n THR 115 Ca -0.01 -0.66 -0.08 0.00 -3.05 0.00 0.00 64.05 60.26 1djm n THR 115 Cb 0.17 -1.38 -0.02 0.00 -1.55 0.00 0.00 70.33 67.56 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 -0.53 -1.10 1.09 7.12 -0.67 0.01 115.31 121.24 1djm h LEU 116 Ca -0.49 0.11 -0.07 0.00 0.13 0.00 0.00 57.88 57.56 1djm h LEU 116 Cb 2.00 0.27 -0.02 0.00 -0.53 0.00 0.00 40.66 42.39 1djm h LEU 116 CO 0.00 -0.20 -0.13 1.05 -0.13 0.00 0.00 178.44 179.03 1djm h GLU 117 N -0.16 0.48 -0.26 1.25 -0.00 -1.07 0.13 114.58 114.95 1djm h GLU 117 Ca 0.13 -0.14 -0.17 0.00 -0.00 0.00 0.00 59.36 59.18 1djm h GLU 117 Cb 0.36 -0.05 0.00 0.00 -0.00 0.00 0.00 28.75 29.06 1djm h GLU 117 CO -0.33 0.61 -0.52 1.49 -0.00 0.00 0.00 179.01 180.26 1djm h GLU 118 N 0.44 0.81 -0.66 1.06 4.81 -1.49 -0.29 114.58 119.26 1djm h GLU 118 Ca 0.08 -0.52 -0.08 0.00 -0.13 0.00 0.00 59.36 58.71 1djm h GLU 118 Cb 0.50 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 1djm h GLU 118 CO 0.03 1.15 0.09 0.87 -0.73 0.00 0.00 179.01 180.42 1djm h LYS 119 N 0.57 1.09 0.32 1.92 1.79 -0.81 -0.88 116.57 120.57 1djm h LYS 119 Ca 0.01 -0.30 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 1djm h LYS 119 Cb 1.13 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 31.62 1djm h LYS 119 CO 0.12 1.01 -0.40 -0.07 -1.08 0.00 0.00 179.45 179.02 1djm h LEU 120 N 1.02 -1.12 -1.63 2.94 3.38 -0.72 -1.78 115.31 117.41 1djm h LEU 120 Ca 0.20 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.35 1djm h LEU 120 Cb 0.46 0.39 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1djm h LEU 120 CO 0.02 -0.53 0.38 -1.13 0.09 0.00 0.00 178.44 177.27 1djm h ASN 121 N -0.77 0.39 0.09 -0.43 -1.24 -0.84 0.16 115.58 112.93 1djm h ASN 121 Ca -0.02 0.01 -0.00 0.00 0.71 0.00 0.00 56.30 56.99 1djm h ASN 121 Cb 0.71 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 39.68 1djm h ASN 121 CO -0.11 0.24 -0.06 0.11 -1.29 0.00 0.00 177.43 176.32 1djm h LYS 122 N 0.44 -0.14 0.00 6.67 1.57 -0.59 -1.92 116.57 122.60 1djm h LYS 122 Ca 0.26 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.01 1djm h LYS 122 Cb 0.44 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1djm h LYS 122 CO -0.07 -0.09 -0.16 -0.84 -0.57 0.00 0.00 179.45 177.71 1djm h ILE 123 N -0.15 0.52 -0.11 1.86 -2.65 -0.49 0.24 117.51 116.73 1djm h ILE 123 Ca -0.01 -0.80 0.01 0.00 1.03 0.00 0.00 64.86 65.09 1djm h ILE 123 Cb 0.12 1.54 -0.01 0.00 -2.05 0.00 0.00 36.82 36.42 1djm h ILE 123 CO 0.00 0.16 0.05 -0.26 0.03 0.00 0.00 178.15 178.13 1djm h PHE 124 N 0.00 0.09 0.00 0.16 0.04 -0.76 -1.70 116.94 114.77 1djm h PHE 124 Ca -0.00 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 1djm h PHE 124 Cb 0.53 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.66 1djm h PHE 124 CO 0.00 0.05 -0.05 0.93 -0.60 0.00 0.00 178.31 178.64 1djm h GLU 125 N 0.11 0.00 0.83 1.51 4.39 -0.74 -2.36 114.58 118.32 1djm h GLU 125 Ca 0.05 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 1djm h GLU 125 Cb 0.01 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1djm h GLU 125 CO -0.04 0.52 -0.40 -0.22 -1.16 0.00 0.00 179.01 177.71 1djm h LYS 126 N -1.00 -1.08 0.16 2.33 3.11 -0.63 -3.04 116.57 116.43 1djm h LYS 126 Ca -0.01 0.07 -0.01 0.00 -2.81 0.00 0.00 60.65 57.89 1djm h LYS 126 Cb 0.54 0.24 0.00 0.00 -1.00 0.00 0.00 32.23 32.02 1djm h LYS 126 CO -0.01 -0.71 -0.08 -0.07 -2.81 0.00 0.00 179.45 175.78 1djm h LEU 127 N -1.23 -0.19 0.00 5.20 3.38 -1.62 -3.49 115.31 117.37 1djm h LEU 127 Ca -0.11 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1djm h LEU 127 Cb 0.87 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1djm h LEU 127 CO 0.19 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.68 1djm n GLY 128 N 0.52 1.20 0.00 0.83 0.00 -0.72 -5.04 105.19 101.98 1djm n GLY 128 Ca -0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.97 1djm n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35