#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nji s ASP 2 N 0.00 3.34 -0.19 3.42 -1.08 -1.26 -5.02 116.67 115.88 1nji s ASP 2 Ca 0.00 -1.09 0.16 0.00 -0.52 0.00 0.00 52.55 51.09 1nji s ASP 2 Cb 0.00 -0.73 0.72 0.00 -1.46 0.00 0.00 42.92 41.45 1nji s ASP 2 CO 0.00 -0.33 1.64 0.18 0.52 0.00 0.00 175.17 177.18 1nji n LEU 3 N 4.96 5.03 -0.08 -1.34 4.77 -1.26 -4.56 117.00 124.51 1nji n LEU 3 Ca -0.07 -2.81 -0.00 0.00 -0.03 0.00 0.00 56.01 53.09 1nji n LEU 3 Cb 0.45 -0.62 0.27 0.00 -2.33 0.00 0.00 43.42 41.19 1nji n LEU 3 CO 0.13 0.69 1.03 0.77 -1.33 0.00 0.00 177.39 178.68 1nji h SER 4 N 3.47 0.65 -0.18 -1.43 4.64 -1.99 -1.28 113.55 117.44 1nji h SER 4 Ca 0.00 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.21 1nji h SER 4 Cb 1.70 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.62 1nji h SER 4 CO 0.36 0.62 0.02 0.00 -0.87 0.00 0.00 176.83 176.96 1nji h ALA 5 N 1.48 0.24 -0.50 5.18 0.00 -2.01 -2.39 119.26 121.27 1nji h ALA 5 Ca 0.17 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1nji h ALA 5 Cb 0.19 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1nji h ALA 5 CO -0.01 -0.08 0.24 1.96 0.00 0.00 0.00 179.25 181.36 1nji h GLN 6 N 0.09 0.45 -0.85 0.00 7.50 -1.84 -0.84 115.11 119.62 1nji h GLN 6 Ca 0.05 -0.03 0.15 0.00 0.50 0.00 0.00 58.65 59.33 1nji h GLN 6 Cb 0.33 -0.10 -0.10 0.00 0.05 0.00 0.00 27.48 27.66 1nji h GLN 6 CO 0.01 0.30 0.42 0.87 -1.50 0.00 0.00 178.83 178.93 1nji h LYS 7 N 0.47 0.57 -0.47 1.46 1.79 -1.00 0.70 116.57 120.09 1nji h LYS 7 Ca 0.22 -0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 58.61 1nji h LYS 7 Cb 0.15 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 1nji h LYS 7 CO -0.17 0.38 0.11 -0.09 -1.08 0.00 0.00 179.45 178.60 1nji h ARG 8 N 0.58 0.75 -0.05 3.15 2.43 -0.71 -1.32 114.38 119.21 1nji h ARG 8 Ca 0.47 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 1nji h ARG 8 Cb 0.70 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1nji h ARG 8 CO -0.38 0.74 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.73 1nji h LEU 9 N 0.63 0.10 -0.75 3.80 3.38 0.44 -2.98 115.31 119.93 1nji h LEU 9 Ca 0.15 -0.37 0.10 0.00 0.09 0.00 0.00 57.88 57.85 1nji h LEU 9 Cb 0.33 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 1nji h LEU 9 CO 0.00 0.44 0.39 0.00 0.09 0.00 0.00 178.44 179.37 1nji h ALA 10 N 0.66 1.06 -0.94 1.53 0.00 0.31 -0.14 119.26 121.74 1nji h ALA 10 Ca 0.01 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1nji h ALA 10 Cb 0.40 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1nji h ALA 10 CO 0.01 -0.02 0.61 0.00 0.00 0.00 0.00 179.25 179.85 1nji h ALA 11 N 1.45 1.42 0.05 0.00 0.00 -1.18 0.30 119.26 121.30 1nji h ALA 11 Ca 0.37 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.99 1nji h ALA 11 Cb 0.40 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1nji h ALA 11 CO -0.27 0.47 -1.07 0.22 0.00 0.00 0.00 179.25 178.59 1nji h ASP 12 N 1.15 0.68 -0.18 0.00 1.82 -1.08 0.28 116.42 119.08 1nji h ASP 12 Ca 0.38 -0.58 -0.04 0.00 -0.39 0.00 0.00 57.03 56.40 1nji h ASP 12 Cb 0.07 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 39.86 1nji h ASP 12 CO -0.13 1.39 -0.05 1.62 -1.61 0.00 0.00 179.24 180.47 1nji h VAL 13 N 0.25 1.29 0.00 2.25 3.04 -0.72 -2.30 116.25 120.07 1nji h VAL 13 Ca -0.12 -1.03 0.00 0.00 -1.01 0.00 0.00 66.70 64.53 1nji h VAL 13 Cb 1.73 1.61 0.00 0.00 -2.01 0.00 0.00 31.29 32.62 1nji h VAL 13 CO 0.19 0.31 0.00 0.18 -1.01 0.00 0.00 177.57 177.24 1nji n LEU 14 N -4.65 0.06 -3.49 3.16 4.77 0.06 -4.93 117.00 111.99 1nji n LEU 14 Ca -0.05 0.51 -0.24 0.00 -0.03 0.00 0.00 56.01 56.19 1nji n LEU 14 Cb 0.28 -0.49 0.06 0.00 -2.33 0.00 0.00 43.42 40.93 1nji n LEU 14 CO 0.38 -0.10 -0.03 -0.67 -1.33 0.00 0.00 177.39 175.64 1nji n ASP 15 N -1.56 -5.94 -3.91 -1.43 -0.08 -0.17 -5.01 116.55 98.46 1nji n ASP 15 Ca 0.06 -0.88 -0.09 0.00 -1.51 0.00 0.00 54.79 52.36 1nji n ASP 15 Cb 0.29 -4.19 -0.07 0.00 2.34 0.00 0.00 41.12 39.49 1nji n ASP 15 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1nji s VAL 16 N -3.43 0.08 0.37 5.18 1.01 0.80 -5.02 120.40 119.39 1nji s VAL 16 Ca 0.47 -1.27 -0.27 0.00 0.00 0.00 0.00 61.98 60.90 1nji s VAL 16 Cb -0.12 -1.69 -0.10 0.00 0.00 0.00 0.00 36.38 34.47 1nji s VAL 16 CO 0.81 -0.36 1.31 -0.83 0.00 0.00 0.00 175.10 176.03 1nji s GLY 17 N -2.93 2.96 0.29 4.51 0.00 -1.26 -4.43 107.32 106.46 1nji s GLY 17 Ca 0.14 1.25 0.04 0.00 0.00 0.00 0.00 44.72 46.15 1nji s GLY 17 CO -0.03 1.87 1.71 0.50 0.00 0.00 0.00 173.10 177.15 1nji h LYS 18 N 3.04 0.44 0.00 2.90 1.57 -1.89 0.48 116.57 123.11 1nji h LYS 18 Ca -0.49 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1nji h LYS 18 Cb 1.24 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1nji h LYS 18 CO 0.64 0.29 0.00 0.09 -0.57 0.00 0.00 179.45 179.90 1nji n ASN 19 N -5.00 0.02 -0.05 0.86 3.02 -1.26 -1.49 115.26 111.35 1nji n ASN 19 Ca 0.22 0.51 0.09 0.00 -0.03 0.00 0.00 54.58 55.37 1nji n ASN 19 Cb 0.64 -0.51 -0.10 0.00 -0.61 0.00 0.00 39.78 39.21 1nji n ASN 19 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1nji n ARG 20 N -1.52 0.81 -2.51 3.52 1.74 0.16 -4.95 116.66 113.91 1nji n ARG 20 Ca 0.00 -0.11 -0.41 0.00 -0.77 0.00 0.00 57.85 56.57 1nji n ARG 20 Cb 0.02 -1.40 -0.04 0.00 -1.02 0.00 0.00 32.46 30.02 1nji n ARG 20 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1nji s VAL 21 N -2.73 3.81 -0.10 1.55 -7.23 -0.56 0.50 120.40 115.64 1nji s VAL 21 Ca 0.08 1.59 0.03 0.00 -1.81 0.00 0.00 61.98 61.87 1nji s VAL 21 Cb 0.15 -4.02 -0.01 0.00 0.56 0.00 0.00 36.38 33.06 1nji s VAL 21 CO 0.75 0.29 -0.19 0.86 -0.31 0.00 0.00 175.10 176.49 1nji s TRP 22 N -0.34 2.65 -0.19 2.82 -0.00 0.17 -4.90 118.94 119.15 1nji s TRP 22 Ca 0.49 -0.81 -0.03 0.00 -0.00 0.00 0.00 56.10 55.75 1nji s TRP 22 Cb -0.30 -1.74 -0.01 0.00 -0.00 0.00 0.00 33.47 31.42 1nji s TRP 22 CO 0.36 -0.28 -0.08 -0.06 -0.00 0.00 0.00 176.95 176.88 1nji s PHE 23 N 0.23 2.91 -0.11 5.86 0.08 -1.26 -1.36 117.98 124.32 1nji s PHE 23 Ca -0.12 -0.89 -0.34 0.00 0.12 0.00 0.00 56.93 55.70 1nji s PHE 23 Cb -0.16 -2.02 -0.11 0.00 -0.57 0.00 0.00 43.02 40.16 1nji s PHE 23 CO 0.07 -0.46 1.91 -1.71 -0.10 0.00 0.00 175.22 174.93 1nji n ASN 24 N 4.40 3.38 0.23 1.36 2.85 -0.29 -4.83 115.26 122.37 1nji n ASN 24 Ca -0.18 0.92 0.18 0.00 -0.11 0.00 0.00 54.58 55.38 1nji n ASN 24 Cb 0.51 -1.37 0.87 0.00 1.24 0.00 0.00 39.78 41.03 1nji n ASN 24 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1nji h PRO 25 N 9.60 0.00 -0.01 1.20 0.11 -1.97 -0.75 132.00 140.17 1nji h PRO 25 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1nji h PRO 25 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1nji h PRO 25 CO 0.95 0.00 -0.08 0.39 -0.21 0.00 0.00 178.00 179.05 1nji n GLU 26 N -3.61 1.05 -0.83 1.05 1.02 -1.26 -4.05 120.64 114.01 1nji n GLU 26 Ca 0.01 -0.44 0.06 0.00 -0.02 0.00 0.00 57.16 56.76 1nji n GLU 26 Cb 0.31 -1.49 0.16 0.00 -0.02 0.00 0.00 31.44 30.40 1nji n GLU 26 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1nji n ARG 27 N -0.59 1.18 -0.18 3.49 1.74 -0.29 -4.80 116.66 117.21 1nji n ARG 27 Ca 0.17 -2.96 -0.05 0.00 -0.77 0.00 0.00 57.85 54.24 1nji n ARG 27 Cb 0.28 -1.20 0.05 0.00 -1.02 0.00 0.00 32.46 30.56 1nji n ARG 27 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1nji h GLN 28 N 0.99 0.61 -0.38 5.56 4.20 -1.70 0.42 115.11 124.80 1nji h GLN 28 Ca -0.06 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.68 1nji h GLN 28 Cb 1.23 -0.14 -0.06 0.00 0.30 0.00 0.00 27.48 28.82 1nji h GLN 28 CO 0.03 0.40 0.04 0.78 -0.67 0.00 0.00 178.83 179.41 1nji h GLY 29 N 0.63 0.42 1.05 3.46 0.00 -1.92 0.77 103.07 107.48 1nji h GLY 29 Ca 0.22 0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.47 1nji h GLY 29 CO -0.11 -0.06 -0.01 -0.55 0.00 0.00 0.00 176.54 175.81 1nji h ASP 30 N 0.15 0.97 0.48 0.19 3.32 -1.78 -2.23 116.42 117.53 1nji h ASP 30 Ca 0.19 -0.31 -0.09 0.00 0.02 0.00 0.00 57.03 56.83 1nji h ASP 30 Cb 0.24 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1nji h ASP 30 CO -0.28 1.05 -0.45 0.40 -1.72 0.00 0.00 179.24 178.24 1nji h ILE 31 N 0.87 1.29 -0.95 0.35 2.04 -0.33 -2.50 117.51 118.28 1nji h ILE 31 Ca 0.16 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.46 1nji h ILE 31 Cb 0.55 1.85 -0.05 0.00 -0.74 0.00 0.00 36.82 38.44 1nji h ILE 31 CO 0.03 0.44 0.60 0.00 0.00 0.00 0.00 178.15 179.22 1nji h ALA 32 N 1.55 1.21 0.00 1.87 0.00 0.10 -1.49 119.26 122.51 1nji h ALA 32 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1nji h ALA 32 Cb 0.81 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1nji h ALA 32 CO 0.06 0.64 0.00 -0.25 0.00 0.00 0.00 179.25 179.70 1nji n ASP 33 N -4.38 0.00 -4.66 0.00 8.00 -0.88 -4.73 116.55 109.89 1nji n ASP 33 Ca 0.11 0.50 -0.42 0.00 0.71 0.00 0.00 54.79 55.68 1nji n ASP 33 Cb 0.04 -0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 40.61 1nji n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nji s ALA 34 N -3.00 3.63 -0.04 2.24 0.00 -0.56 -4.83 121.76 119.20 1nji s ALA 34 Ca 0.12 0.87 0.03 0.00 0.00 0.00 0.00 51.96 52.98 1nji s ALA 34 Cb 0.16 -3.72 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 1nji s ALA 34 CO 0.45 -1.35 0.00 -0.89 0.00 0.00 0.00 175.76 173.97 1nji n ILE 35 N 5.43 0.24 -4.04 0.00 2.08 -1.26 -4.89 119.36 116.92 1nji n ILE 35 Ca 0.17 -0.14 -0.23 0.00 0.56 0.00 0.00 62.75 63.11 1nji n ILE 35 Cb 0.43 -0.87 -0.06 0.00 -0.75 0.00 0.00 39.64 38.39 1nji n ILE 35 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1nji s THR 36 N -2.08 3.12 0.31 1.39 -4.23 -1.26 -4.99 115.64 107.89 1nji s THR 36 Ca -0.02 -1.63 -0.01 0.00 -1.18 0.00 0.00 61.69 58.85 1nji s THR 36 Cb 0.01 -3.02 0.23 0.00 1.34 0.00 0.00 72.50 71.06 1nji s THR 36 CO 0.14 -0.18 1.94 0.03 -0.54 0.00 0.00 174.62 176.01 1nji h ARG 37 N 1.48 0.95 -0.77 3.99 3.08 -1.98 -1.15 114.38 119.98 1nji h ARG 37 Ca -0.44 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 59.51 1nji h ARG 37 Cb 1.25 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 31.07 1nji h ARG 37 CO 0.62 0.69 0.47 1.49 -1.07 0.00 0.00 179.97 182.16 1nji h GLU 38 N 0.96 1.04 -0.75 0.04 4.57 -2.00 -0.58 114.58 117.87 1nji h GLU 38 Ca 0.25 -0.09 0.03 0.00 -1.18 0.00 0.00 59.36 58.37 1nji h GLU 38 Cb 0.00 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 28.33 1nji h GLU 38 CO -0.04 0.73 0.49 -0.44 -1.18 0.00 0.00 179.01 178.57 1nji h ASP 39 N 1.05 0.79 0.29 1.04 3.32 -1.63 -1.97 116.42 119.30 1nji h ASP 39 Ca 0.28 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 1nji h ASP 39 Cb -0.04 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.32 1nji h ASP 39 CO -0.05 0.55 -0.14 0.58 -1.72 0.00 0.00 179.24 178.46 1nji h VAL 40 N 0.92 0.74 -0.98 -1.35 2.07 -0.29 -2.39 116.25 114.97 1nji h VAL 40 Ca 0.30 -0.57 0.19 0.00 0.82 0.00 0.00 66.70 67.43 1nji h VAL 40 Cb 0.03 1.04 -0.11 0.00 -1.52 0.00 0.00 31.29 30.74 1nji h VAL 40 CO -0.08 0.11 0.58 0.03 0.02 0.00 0.00 177.57 178.23 1nji h ARG 41 N -0.70 0.71 -0.23 1.57 3.08 -0.89 0.26 114.38 118.18 1nji h ARG 41 Ca -0.04 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1nji h ARG 41 Cb 0.48 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1nji h ARG 41 CO 0.06 0.47 0.15 1.49 -1.07 0.00 0.00 179.97 181.07 1nji h GLU 42 N 0.73 0.30 0.00 0.04 4.81 -1.26 0.13 114.58 119.32 1nji h GLU 42 Ca 0.57 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.72 1nji h GLU 42 Cb 0.88 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1nji h GLU 42 CO -0.39 0.20 -0.27 -0.07 -0.73 0.00 0.00 179.01 177.74 1nji h LEU 43 N 0.31 0.00 -0.34 1.64 3.38 -0.36 -1.73 115.31 118.21 1nji h LEU 43 Ca 0.08 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1nji h LEU 43 Cb -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1nji h LEU 43 CO -0.02 0.27 -0.11 0.58 0.09 0.00 0.00 178.44 179.26 1nji h VAL 44 N 0.00 1.28 0.00 1.22 2.07 0.45 -0.12 116.25 121.15 1nji h VAL 44 Ca -0.00 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 1nji h VAL 44 Cb 0.51 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1nji h VAL 44 CO 0.04 0.39 -0.07 0.44 0.02 0.00 0.00 177.57 178.39 1nji h ASP 45 N 0.46 0.00 -0.05 0.57 3.32 -0.04 0.73 116.42 121.41 1nji h ASP 45 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1nji h ASP 45 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1nji h ASP 45 CO 0.04 0.07 0.00 -0.62 -1.72 0.00 0.00 179.24 177.00 1nji n GLU 46 N -3.31 1.68 -1.04 3.56 1.02 -0.72 -4.91 120.64 116.91 1nji n GLU 46 Ca -0.01 -1.00 -0.01 0.00 -0.02 0.00 0.00 57.16 56.12 1nji n GLU 46 Cb 0.24 -1.46 -0.01 0.00 -0.02 0.00 0.00 31.44 30.20 1nji n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nji n GLY 47 N 1.17 0.35 0.18 0.62 0.00 0.25 -4.84 105.19 102.92 1nji n GLY 47 Ca 0.18 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.20 1nji n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nji h ALA 48 N 0.00 0.97 -3.31 4.61 0.00 -1.24 -3.41 119.26 116.88 1nji h ALA 48 Ca -0.03 -0.35 -0.60 0.00 0.00 0.00 0.00 54.91 53.93 1nji h ALA 48 Cb 0.58 -0.06 -0.34 0.00 0.00 0.00 0.00 17.79 17.97 1nji h ALA 48 CO 0.04 0.48 -0.85 0.42 0.00 0.00 0.00 179.25 179.35 1nji s ILE 49 N -3.56 1.62 0.20 0.00 1.01 -1.13 -1.14 121.20 118.20 1nji s ILE 49 Ca 0.00 -0.74 -0.00 0.00 0.00 0.00 0.00 60.65 59.91 1nji s ILE 49 Cb 0.11 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 1nji s ILE 49 CO 0.69 0.46 0.10 -1.10 0.00 0.00 0.00 174.94 175.10 1nji s GLN 50 N 0.73 1.19 -0.16 2.79 -0.21 -0.47 -4.48 119.66 119.05 1nji s GLN 50 Ca -0.12 -1.62 -0.01 0.00 0.02 0.00 0.00 55.36 53.64 1nji s GLN 50 Cb -0.16 0.12 -0.01 0.00 1.00 0.00 0.00 33.01 33.96 1nji s GLN 50 CO 0.02 -0.33 -0.12 0.00 -2.12 0.00 0.00 175.29 172.74 1nji s ALA 51 N -4.02 2.61 0.93 6.09 0.00 -1.26 0.45 121.76 126.55 1nji s ALA 51 Ca 0.35 -1.00 -0.12 0.00 0.00 0.00 0.00 51.96 51.20 1nji s ALA 51 Cb 0.07 -1.31 0.15 0.00 0.00 0.00 0.00 23.12 22.03 1nji s ALA 51 CO 0.10 0.02 1.09 0.21 0.00 0.00 0.00 175.76 177.17 1nji s LYS 52 N 0.73 0.99 0.12 0.00 2.47 0.18 -4.96 119.74 119.27 1nji s LYS 52 Ca -0.05 0.88 -0.19 0.00 -1.56 0.00 0.00 55.97 55.05 1nji s LYS 52 Cb -0.15 -1.77 -0.07 0.00 -1.46 0.00 0.00 37.83 34.37 1nji s LYS 52 CO 0.01 -2.44 0.61 -0.51 0.16 0.00 0.00 175.35 173.18 1nji s ASP 53 N -3.26 7.06 0.07 1.43 1.01 -1.26 -4.97 116.67 116.75 1nji s ASP 53 Ca 0.64 1.30 -0.24 0.00 0.71 0.00 0.00 52.55 54.96 1nji s ASP 53 Cb -0.19 -2.37 -0.06 0.00 1.01 0.00 0.00 42.92 41.31 1nji s ASP 53 CO 0.58 0.20 0.73 -1.59 0.21 0.00 0.00 175.17 175.30 1nji s LYS 54 N -1.40 4.46 0.66 8.23 -2.85 -1.26 -5.05 119.74 122.53 1nji s LYS 54 Ca 0.33 1.01 -0.06 0.00 -1.00 0.00 0.00 55.97 56.26 1nji s LYS 54 Cb -0.19 -3.33 0.04 0.00 -2.06 0.00 0.00 37.83 32.30 1nji s LYS 54 CO 0.20 0.39 0.96 -1.59 0.10 0.00 0.00 175.35 175.41 1nji s LYS 55 N -0.41 2.47 0.00 1.78 -2.85 -1.26 -5.10 119.74 114.37 1nji s LYS 55 Ca 0.36 -0.19 -0.01 0.00 -1.00 0.00 0.00 55.97 55.13 1nji s LYS 55 Cb -0.21 -2.22 -0.01 0.00 -2.06 0.00 0.00 37.83 33.34 1nji s LYS 55 CO 0.23 -1.02 0.01 0.20 0.10 0.00 0.00 175.35 174.86 1nji s GLY 56 N -4.44 0.09 0.29 0.59 0.00 -1.26 -5.13 107.32 97.47 1nji s GLY 56 Ca 0.58 -0.21 -0.29 0.00 0.00 0.00 0.00 44.72 44.80 1nji s GLY 56 CO 0.45 -0.25 1.31 -1.31 0.00 0.00 0.00 173.10 173.30 1nji s ASN 57 N -0.67 6.81 0.15 1.64 -0.87 -1.26 -4.95 114.94 115.79 1nji s ASN 57 Ca -0.07 2.60 -0.30 0.00 -1.57 0.00 0.00 52.86 53.52 1nji s ASN 57 Cb -0.05 -2.64 -0.08 0.00 -0.02 0.00 0.00 41.25 38.47 1nji s ASN 57 CO -0.00 -0.53 1.28 -0.44 -2.57 0.00 0.00 177.10 174.83 1nji s SER 58 N -0.23 6.96 -0.07 -1.22 0.01 -1.26 -4.91 113.70 112.99 1nji s SER 58 Ca 0.52 2.27 0.16 0.00 1.31 0.00 0.00 55.95 60.21 1nji s SER 58 Cb -0.39 -2.60 0.54 0.00 0.21 0.00 0.00 66.02 63.78 1nji s SER 58 CO 0.48 -0.51 1.46 0.54 0.41 0.00 0.00 173.24 175.62 1nji n ARG 59 N 3.14 3.16 0.25 12.44 1.74 -1.26 -4.65 116.66 131.47 1nji n ARG 59 Ca 0.07 -2.56 -0.16 0.00 -0.77 0.00 0.00 57.85 54.43 1nji n ARG 59 Cb 0.44 -1.62 -0.08 0.00 -1.02 0.00 0.00 32.46 30.18 1nji n ARG 59 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1nji h GLY 60 N 3.07 -0.84 2.00 -0.13 0.00 -2.00 -0.11 103.07 105.06 1nji h GLY 60 Ca 0.00 0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.69 1nji h GLY 60 CO 0.11 -0.30 -0.11 3.21 0.00 0.00 0.00 176.54 179.45 1nji h ARG 61 N -0.76 0.00 -0.14 4.80 3.08 -2.01 -1.79 114.38 117.57 1nji h ARG 61 Ca -0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1nji h ARG 61 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1nji h ARG 61 CO -0.02 0.11 0.03 0.00 -1.07 0.00 0.00 179.97 179.02 1nji h ALA 62 N 1.89 0.18 -0.64 0.04 0.00 -1.70 -2.63 119.26 116.40 1nji h ALA 62 Ca -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1nji h ALA 62 Cb 0.20 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1nji h ALA 62 CO 0.01 -0.17 0.35 0.00 0.00 0.00 0.00 179.25 179.44 1nji h ARG 63 N 0.01 0.89 -0.44 0.00 3.08 -0.22 0.14 114.38 117.84 1nji h ARG 63 Ca 0.04 -0.10 0.04 0.00 0.07 0.00 0.00 59.98 60.02 1nji h ARG 63 Cb 0.28 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 1nji h ARG 63 CO 0.00 0.68 0.22 0.93 -1.07 0.00 0.00 179.97 180.72 1nji h GLU 64 N 0.87 0.42 -0.47 0.04 5.08 -1.31 -0.50 114.58 118.72 1nji h GLU 64 Ca 0.22 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1nji h GLU 64 Cb 0.04 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1nji h GLU 64 CO -0.04 0.28 0.27 -0.09 -1.00 0.00 0.00 179.01 178.43 1nji h ARG 65 N 0.44 0.64 -0.68 2.33 2.43 -1.06 -1.98 114.38 116.50 1nji h ARG 65 Ca 0.19 -0.07 0.08 0.00 -0.81 0.00 0.00 59.98 59.37 1nji h ARG 65 Cb 0.10 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 1nji h ARG 65 CO -0.14 0.49 0.45 1.96 -1.51 0.00 0.00 179.97 181.22 1nji h GLN 66 N 0.62 0.61 0.08 0.20 4.20 -0.18 -0.83 115.11 119.81 1nji h GLN 66 Ca 0.17 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1nji h GLN 66 Cb 0.03 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.67 1nji h GLN 66 CO -0.03 0.40 -0.04 0.87 -0.67 0.00 0.00 178.83 179.36 1nji h LYS 67 N 0.62 -0.11 -0.43 1.46 1.57 -0.41 -0.50 116.57 118.77 1nji h LYS 67 Ca 0.30 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.17 1nji h LYS 67 Cb 0.37 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.64 1nji h LYS 67 CO -0.10 0.32 0.00 0.87 -0.57 0.00 0.00 179.45 179.97 1nji h LYS 68 N -0.58 0.11 -0.20 3.15 1.79 -0.91 -0.42 116.57 119.51 1nji h LYS 68 Ca -0.01 -0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.37 1nji h LYS 68 Cb 0.48 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 1nji h LYS 68 CO 0.02 0.07 -0.23 0.00 -1.08 0.00 0.00 179.45 178.23 1nji h ARG 69 N 0.11 0.37 -0.29 3.15 3.08 -1.16 0.28 114.38 119.92 1nji h ARG 69 Ca 0.21 -0.12 -0.12 0.00 0.07 0.00 0.00 59.98 60.02 1nji h ARG 69 Cb 0.31 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1nji h ARG 69 CO -0.36 0.58 -0.31 0.00 -1.07 0.00 0.00 179.97 178.81 1nji h ALA 70 N 1.44 0.91 0.00 0.04 0.00 -0.26 -1.68 119.26 119.71 1nji h ALA 70 Ca 0.05 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1nji h ALA 70 Cb 0.59 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1nji h ALA 70 CO 0.04 0.62 0.00 1.17 0.00 0.00 0.00 179.25 181.08 1nji n LYS 71 N -4.08 0.70 -0.05 0.00 3.00 -0.24 -4.89 118.16 112.61 1nji n LYS 71 Ca -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1nji n LYS 71 Cb 0.47 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.00 1nji n LYS 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nji n GLY 72 N 0.75 0.59 4.01 3.14 0.00 -0.63 -5.06 105.19 107.99 1nji n GLY 72 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 1nji n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nji s HIS 73 N -2.08 2.85 -1.16 1.61 3.76 0.91 -4.58 115.29 116.60 1nji s HIS 73 Ca 0.00 -0.36 -0.07 0.00 -0.15 0.00 0.00 55.06 54.48 1nji s HIS 73 Cb 0.00 -2.35 0.01 0.00 1.11 0.00 0.00 32.58 31.35 1nji s HIS 73 CO 0.00 -0.39 0.96 1.04 -0.85 0.00 0.00 174.74 175.49 1nji n GLN 74 N -1.85 -6.49 -1.60 1.40 6.02 -1.26 -3.32 117.38 110.27 1nji n GLN 74 Ca 0.07 0.71 0.04 0.00 -0.01 0.00 0.00 57.00 57.80 1nji n GLN 74 Cb 0.59 -5.35 0.02 0.00 1.02 0.00 0.00 30.24 26.52 1nji n GLN 74 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1nji n LYS 75 N -4.23 0.14 -1.42 -1.09 5.02 -1.26 -4.90 118.16 110.42 1nji n LYS 75 Ca -0.00 -2.12 -0.29 0.00 -2.02 0.00 0.00 58.31 53.88 1nji n LYS 75 Cb 0.56 -0.13 0.15 0.00 -0.02 0.00 0.00 35.03 35.59 1nji n LYS 75 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1nji s GLY 76 N -2.14 1.57 0.43 0.72 0.00 -1.26 -4.76 107.32 101.88 1nji s GLY 76 Ca 0.33 -0.46 0.25 0.00 0.00 0.00 0.00 44.72 44.85 1nji s GLY 76 CO -0.16 0.11 1.70 0.00 0.00 0.00 0.00 173.10 174.76 1nji h ALA 77 N -1.61 2.55 0.00 3.20 0.00 -1.99 0.89 119.26 122.30 1nji h ALA 77 Ca -0.52 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1nji h ALA 77 Cb 1.33 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1nji h ALA 77 CO 0.60 -1.05 0.00 0.41 0.00 0.00 0.00 179.25 179.22 1nji n GLY 78 N -1.52 -1.01 0.15 0.00 0.00 -1.26 -3.04 105.19 98.51 1nji n GLY 78 Ca 0.31 -0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.25 1nji n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nji n SER 79 N -1.21 0.95 -4.82 1.61 7.64 0.31 -4.98 113.62 113.12 1nji n SER 79 Ca 0.13 -0.98 -0.38 0.00 1.01 0.00 0.00 58.87 58.66 1nji n SER 79 Cb 0.17 0.67 -0.06 0.00 -1.01 0.00 0.00 64.21 63.98 1nji n SER 79 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1nji s ARG 80 N -1.62 4.10 0.00 1.43 0.52 -1.12 -4.93 118.95 117.33 1nji s ARG 80 Ca 0.07 0.63 0.00 0.00 -0.52 0.00 0.00 55.73 55.91 1nji s ARG 80 Cb 0.08 -3.16 0.00 0.00 0.52 0.00 0.00 34.95 32.39 1nji s ARG 80 CO 0.32 0.61 0.00 1.17 0.02 0.00 0.00 175.30 177.42 1nji n LYS 81 N 1.51 3.00 -3.24 3.54 3.00 -1.26 -5.02 118.16 119.70 1nji n LYS 81 Ca -0.10 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 57.97 1nji n LYS 81 Cb 0.51 -0.96 -0.01 0.00 0.00 0.00 0.00 35.03 34.57 1nji n LYS 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1nji s GLY 82 N -3.06 1.37 0.86 3.14 0.00 -1.26 -5.07 107.32 103.29 1nji s GLY 82 Ca 0.00 -0.84 -0.10 0.00 0.00 0.00 0.00 44.72 43.78 1nji s GLY 82 CO 0.00 -0.75 1.12 1.25 0.00 0.00 0.00 173.10 174.71 1nji s LYS 83 N -4.40 1.53 0.14 2.90 2.47 -1.26 -4.75 119.74 116.37 1nji s LYS 83 Ca 0.41 1.32 -0.19 0.00 -1.56 0.00 0.00 55.97 55.96 1nji s LYS 83 Cb -0.10 -1.80 0.02 0.00 -1.46 0.00 0.00 37.83 34.49 1nji s LYS 83 CO 0.38 -2.20 1.70 0.00 0.16 0.00 0.00 175.35 175.38 1nji h ALA 84 N -1.55 0.21 0.00 3.13 0.00 -1.97 -0.91 119.26 118.17 1nji h ALA 84 Ca -0.44 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1nji h ALA 84 Cb 1.25 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1nji h ALA 84 CO 0.47 -0.45 0.00 0.78 0.00 0.00 0.00 179.25 180.05 1nji h GLY 85 N 0.03 0.00 1.18 0.00 0.00 -1.92 -1.17 103.07 101.20 1nji h GLY 85 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.12 1nji h GLY 85 CO -0.26 0.00 -1.54 0.00 0.00 0.00 0.00 176.54 174.74 1nji h ALA 86 N 2.01 -0.10 -0.26 3.60 0.00 -1.54 -3.23 119.26 119.73 1nji h ALA 86 Ca 0.00 -0.92 -0.15 0.00 0.00 0.00 0.00 54.91 53.84 1nji h ALA 86 Cb 0.07 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1nji h ALA 86 CO 0.00 0.75 -0.46 0.00 0.00 0.00 0.00 179.25 179.54 1nji h ARG 87 N 0.14 0.68 -3.33 0.00 3.08 -0.43 -3.42 114.38 111.10 1nji h ARG 87 Ca -0.28 -0.38 -0.41 0.00 0.07 0.00 0.00 59.98 58.98 1nji h ARG 87 Cb 2.16 0.03 -0.39 0.00 0.08 0.00 0.00 29.97 31.84 1nji h ARG 87 CO 0.26 1.00 -0.75 -1.14 -1.07 0.00 0.00 179.97 178.27 1nji s GLN 88 N -4.19 0.11 -0.21 0.04 0.74 -0.55 -5.11 119.66 110.49 1nji s GLN 88 Ca -0.09 0.18 -0.29 0.00 0.05 0.00 0.00 55.36 55.22 1nji s GLN 88 Cb 0.11 -0.98 -0.03 0.00 1.10 0.00 0.00 33.01 33.21 1nji s GLN 88 CO 0.85 -0.42 1.69 1.21 -0.55 0.00 0.00 175.29 178.07 1nji s ASN 89 N 2.11 6.28 0.29 6.67 3.84 -1.22 -4.34 114.94 128.58 1nji s ASN 89 Ca 0.04 1.69 -0.02 0.00 0.21 0.00 0.00 52.86 54.78 1nji s ASN 89 Cb -0.13 -2.53 0.44 0.00 -0.55 0.00 0.00 41.25 38.48 1nji s ASN 89 CO -0.05 -1.33 1.95 0.77 -2.79 0.00 0.00 177.10 175.65 1nji h SER 90 N 11.17 0.97 -0.53 -4.21 4.64 -1.94 -0.05 113.55 123.61 1nji h SER 90 Ca -0.35 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 60.89 1nji h SER 90 Cb 1.17 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 63.00 1nji h SER 90 CO 1.00 0.68 0.09 0.50 -0.87 0.00 0.00 176.83 178.23 1nji h LYS 91 N 1.13 0.87 -0.73 4.77 3.11 -1.97 -1.27 116.57 122.49 1nji h LYS 91 Ca 0.33 -0.23 -0.05 0.00 -2.81 0.00 0.00 60.65 57.89 1nji h LYS 91 Cb -0.06 -0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.04 1nji h LYS 91 CO -0.09 0.85 0.27 1.49 -2.81 0.00 0.00 179.45 179.16 1nji h GLU 92 N 0.75 1.09 -0.60 1.90 4.81 -1.84 -1.97 114.58 118.73 1nji h GLU 92 Ca 0.16 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 59.10 1nji h GLU 92 Cb 0.40 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1nji h GLU 92 CO 0.01 0.90 0.01 0.22 -0.73 0.00 0.00 179.01 179.42 1nji h ASP 93 N 1.06 1.01 -0.15 1.04 3.58 -0.68 -1.78 116.42 120.50 1nji h ASP 93 Ca 0.24 -0.28 -0.09 0.00 0.42 0.00 0.00 57.03 57.32 1nji h ASP 93 Cb 0.23 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 1nji h ASP 93 CO -0.02 1.06 -0.19 -0.25 -2.88 0.00 0.00 179.24 176.96 1nji h TRP 94 N 0.95 0.63 -0.47 0.28 2.91 -0.88 -0.36 115.95 119.02 1nji h TRP 94 Ca 0.17 -0.12 -0.12 0.00 1.13 0.00 0.00 58.89 59.96 1nji h TRP 94 Cb 0.53 -0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 29.01 1nji h TRP 94 CO 0.04 0.72 -0.17 0.93 -1.03 0.00 0.00 178.44 178.93 1nji h GLU 95 N 0.51 0.92 0.83 2.65 5.08 -1.07 0.12 114.58 123.61 1nji h GLU 95 Ca 0.08 -0.36 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 1nji h GLU 95 Cb 0.61 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.82 1nji h GLU 95 CO 0.04 1.01 -0.40 1.03 -1.00 0.00 0.00 179.01 179.70 1nji h SER 96 N 0.81 -0.94 -0.13 1.42 0.87 -0.90 -1.68 113.55 113.00 1nji h SER 96 Ca 0.12 0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.76 1nji h SER 96 Cb 0.72 0.24 -0.06 0.00 -0.44 0.00 0.00 62.40 62.86 1nji h SER 96 CO 0.05 -0.66 -0.31 0.03 -0.53 0.00 0.00 176.83 175.41 1nji h ARG 97 N -1.13 -0.38 0.00 2.24 3.08 -0.96 -1.58 114.38 115.65 1nji h ARG 97 Ca -0.11 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 1nji h ARG 97 Cb 0.85 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.98 1nji h ARG 97 CO 0.19 -0.25 -0.13 0.97 -1.07 0.00 0.00 179.97 179.68 1nji h ILE 98 N -0.39 1.05 -0.13 2.04 -0.00 -0.81 -1.07 117.51 118.20 1nji h ILE 98 Ca 0.10 -0.44 -0.23 0.00 -0.00 0.00 0.00 64.86 64.29 1nji h ILE 98 Cb 0.54 1.24 0.01 0.00 -0.00 0.00 0.00 36.82 38.61 1nji h ILE 98 CO -0.35 0.12 -0.80 0.03 -0.00 0.00 0.00 178.15 177.16 1nji h ARG 99 N 0.00 0.77 -0.31 2.19 3.08 -0.69 -1.25 114.38 118.17 1nji h ARG 99 Ca -0.00 -0.65 -0.00 0.00 0.07 0.00 0.00 59.98 59.39 1nji h ARG 99 Cb 0.23 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1nji h ARG 99 CO 0.02 1.26 0.18 0.00 -1.07 0.00 0.00 179.97 180.35 1nji h ALA 100 N 0.52 0.39 -0.84 0.04 0.00 -0.82 -0.12 119.26 118.43 1nji h ALA 100 Ca -0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1nji h ALA 100 Cb 1.44 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 1nji h ALA 100 CO 0.16 -0.10 0.42 1.96 0.00 0.00 0.00 179.25 181.70 1nji h GLN 101 N 0.39 1.20 -0.04 0.00 4.20 -1.17 -1.25 115.11 118.43 1nji h GLN 101 Ca 0.11 -0.16 -0.13 0.00 0.06 0.00 0.00 58.65 58.52 1nji h GLN 101 Cb 0.03 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 1nji h GLN 101 CO -0.02 0.91 -0.58 0.00 -0.67 0.00 0.00 178.83 178.47 1nji h ARG 102 N 1.19 0.14 -0.32 1.46 3.08 -0.87 -2.06 114.38 117.00 1nji h ARG 102 Ca 0.29 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 60.13 1nji h ARG 102 Cb 0.09 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1nji h ARG 102 CO -0.04 0.68 -0.27 1.15 -1.07 0.00 0.00 179.97 180.42 1nji h THR 103 N 0.10 1.29 0.37 2.04 2.02 -0.62 -1.45 112.91 116.67 1nji h THR 103 Ca -0.00 -1.43 -0.00 0.00 0.77 0.00 0.00 66.41 65.74 1nji h THR 103 Cb 1.05 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.94 1nji h THR 103 CO 0.08 0.46 -0.41 0.50 0.37 0.00 0.00 175.52 176.53 1nji h LYS 104 N 0.51 -0.77 -0.72 6.66 1.63 -1.07 -0.58 116.57 122.23 1nji h LYS 104 Ca 0.06 0.05 0.12 0.00 -0.85 0.00 0.00 60.65 60.03 1nji h LYS 104 Cb 0.84 0.18 -0.05 0.00 -0.60 0.00 0.00 32.23 32.60 1nji h LYS 104 CO 0.07 -0.52 0.48 -0.07 -3.45 0.00 0.00 179.45 175.96 1nji h LEU 105 N -0.80 0.46 -0.97 5.20 3.38 -1.36 -0.58 115.31 120.64 1nji h LEU 105 Ca -0.03 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1nji h LEU 105 Cb 0.73 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1nji h LEU 105 CO -0.09 0.26 -0.13 -0.09 0.09 0.00 0.00 178.44 178.48 1nji h ARG 106 N 0.51 0.60 -0.00 1.13 2.43 -0.10 -2.27 114.38 116.66 1nji h ARG 106 Ca 0.34 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1nji h ARG 106 Cb 0.65 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1nji h ARG 106 CO -0.12 0.71 -0.03 0.93 -1.51 0.00 0.00 179.97 179.96 1nji h GLU 107 N 0.55 0.02 -0.35 0.20 5.08 0.35 -3.07 114.58 117.36 1nji h GLU 107 Ca 0.10 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.54 1nji h GLU 107 Cb 0.54 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1nji h GLU 107 CO 0.03 0.75 0.33 -0.07 -1.00 0.00 0.00 179.01 179.05 1nji h LEU 108 N -0.69 0.00 -0.01 1.33 3.38 -1.28 0.68 115.31 118.72 1nji h LEU 108 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1nji h LEU 108 Cb 0.76 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.51 1nji h LEU 108 CO 0.01 0.00 -0.30 -0.09 0.09 0.00 0.00 178.44 178.14 1nji h ARG 109 N 0.00 0.22 -0.46 1.13 2.43 -1.37 -1.19 114.38 115.14 1nji h ARG 109 Ca 0.17 -0.23 -0.11 0.00 -0.81 0.00 0.00 59.98 59.01 1nji h ARG 109 Cb 0.83 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 1nji h ARG 109 CO -0.00 0.94 -0.13 -0.44 -1.51 0.00 0.00 179.97 178.82 1nji h ASP 110 N -0.41 0.91 -0.04 -3.80 3.32 -1.29 -2.06 116.42 113.06 1nji h ASP 110 Ca -0.04 -0.37 0.01 0.00 0.02 0.00 0.00 57.03 56.65 1nji h ASP 110 Cb 1.04 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.34 1nji h ASP 110 CO 0.06 1.07 0.14 -0.08 -1.72 0.00 0.00 179.24 178.71 1nji h GLU 111 N 0.74 0.00 0.00 3.56 4.81 -0.97 -3.46 114.58 119.26 1nji h GLU 111 Ca 0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1nji h GLU 111 Cb 0.69 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1nji h GLU 111 CO 0.05 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.74 1nji n GLY 112 N -1.20 2.94 0.35 1.92 0.00 -0.78 -4.93 105.19 103.50 1nji n GLY 112 Ca -0.02 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.18 1nji n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1nji h THR 113 N 0.00 0.60 -3.53 2.61 2.02 -1.48 -3.41 112.91 109.73 1nji h THR 113 Ca 0.00 0.00 -0.59 0.00 0.77 0.00 0.00 66.41 66.59 1nji h THR 113 Cb 0.00 0.79 -0.33 0.00 -1.74 0.00 0.00 68.15 66.87 1nji h THR 113 CO 0.00 0.00 -0.84 -0.76 0.37 0.00 0.00 175.52 174.29 1nji s LEU 114 N -8.13 1.87 0.44 2.58 1.43 -0.79 -5.00 118.68 111.09 1nji s LEU 114 Ca -0.05 -0.40 -0.22 0.00 -1.03 0.00 0.00 54.13 52.43 1nji s LEU 114 Cb 0.17 -1.07 -0.09 0.00 0.03 0.00 0.00 46.19 45.24 1nji s LEU 114 CO 0.63 0.11 1.05 -0.94 0.23 0.00 0.00 176.35 177.43 1nji s SER 115 N 0.38 6.52 0.15 2.29 1.04 -1.26 -4.51 113.70 118.31 1nji s SER 115 Ca -0.13 2.01 0.06 0.00 0.48 0.00 0.00 55.95 58.37 1nji s SER 115 Cb -0.15 -2.58 0.34 0.00 0.10 0.00 0.00 66.02 63.73 1nji s SER 115 CO 0.05 -0.66 1.04 -1.54 0.98 0.00 0.00 173.24 173.12 1nji n SER 116 N -0.50 0.16 -0.03 7.02 3.41 -1.26 -0.29 113.62 122.14 1nji n SER 116 Ca 0.07 0.43 -0.14 0.00 -0.26 0.00 0.00 58.87 58.97 1nji n SER 116 Cb 0.51 -0.41 -0.14 0.00 -0.26 0.00 0.00 64.21 63.91 1nji n SER 116 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1nji n SER 117 N -1.66 1.30 -0.04 4.04 3.41 -1.26 -2.70 113.62 116.71 1nji n SER 117 Ca -0.00 0.26 -0.15 0.00 -0.26 0.00 0.00 58.87 58.72 1nji n SER 117 Cb 0.24 -0.26 -0.08 0.00 -0.26 0.00 0.00 64.21 63.85 1nji n SER 117 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1nji h GLN 118 N 0.03 0.45 0.02 4.33 4.20 -1.00 -2.09 115.11 121.04 1nji h GLN 118 Ca -0.38 -0.33 0.03 0.00 0.06 0.00 0.00 58.65 58.02 1nji h GLN 118 Cb 2.04 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 29.82 1nji h GLN 118 CO 0.07 0.96 -0.41 -0.92 -0.67 0.00 0.00 178.83 177.85 1nji h TYR 119 N 0.03 -1.16 -0.71 2.96 3.20 -1.24 0.69 116.97 120.74 1nji h TYR 119 Ca -0.01 0.04 0.14 0.00 3.14 0.00 0.00 58.73 62.03 1nji h TYR 119 Cb 1.00 0.51 -0.10 0.00 1.54 0.00 0.00 36.73 39.67 1nji h TYR 119 CO 0.11 -0.49 0.20 -0.09 -1.64 0.00 0.00 178.16 176.25 1nji h ARG 120 N -0.58 0.31 -0.18 1.82 9.65 -1.50 0.40 114.38 124.29 1nji h ARG 120 Ca 0.04 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1nji h ARG 120 Cb 0.65 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.15 1nji h ARG 120 CO -0.30 0.20 0.10 0.22 2.80 0.00 0.00 179.97 182.99 1nji h ASP 121 N 0.31 0.23 -0.41 -3.80 1.82 -0.60 -1.84 116.42 112.13 1nji h ASP 121 Ca 0.39 -0.09 -0.09 0.00 -0.39 0.00 0.00 57.03 56.86 1nji h ASP 121 Cb 0.62 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 1nji h ASP 121 CO -0.45 0.25 -0.08 -0.07 -1.61 0.00 0.00 179.24 177.28 1nji h LEU 122 N 0.19 0.78 0.02 2.28 3.38 0.18 -2.48 115.31 119.65 1nji h LEU 122 Ca 0.06 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.71 1nji h LEU 122 Cb 0.07 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1nji h LEU 122 CO -0.01 0.95 -0.19 0.22 0.09 0.00 0.00 178.44 179.50 1nji h TYR 123 N 0.59 -0.51 -0.89 1.13 3.20 -0.17 0.12 116.97 120.46 1nji h TYR 123 Ca 0.11 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.03 1nji h TYR 123 Cb 0.60 0.22 -0.05 0.00 1.54 0.00 0.00 36.73 39.04 1nji h TYR 123 CO 0.05 -0.28 0.58 -0.44 -1.64 0.00 0.00 178.16 176.43 1nji h ASP 124 N -0.32 0.93 0.16 -2.11 3.32 -1.33 -1.05 116.42 116.03 1nji h ASP 124 Ca 0.05 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.98 1nji h ASP 124 Cb 0.39 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1nji h ASP 124 CO -0.17 0.63 -0.42 0.11 -1.72 0.00 0.00 179.24 177.68 1nji h LYS 125 N 1.08 0.34 0.18 3.56 1.57 -0.87 -2.07 116.57 120.35 1nji h LYS 125 Ca 0.36 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1nji h LYS 125 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1nji h LYS 125 CO -0.12 0.70 -0.09 0.00 -0.57 0.00 0.00 179.45 179.38 1nji h ALA 126 N 1.28 -0.24 -0.04 3.86 0.00 0.02 -1.18 119.26 122.97 1nji h ALA 126 Ca 0.02 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1nji h ALA 126 Cb 0.86 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1nji h ALA 126 CO 0.07 -0.47 0.13 0.78 0.00 0.00 0.00 179.25 179.77 1nji h GLY 127 N -0.58 0.00 -0.05 0.00 0.00 -1.17 1.37 103.07 102.64 1nji h GLY 127 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1nji h GLY 127 CO 0.04 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.19 1nji n GLY 128 N -1.21 -0.30 2.61 4.60 0.00 -0.79 -4.92 105.19 105.18 1nji n GLY 128 Ca -0.02 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 1nji n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nji n GLY 129 N 1.09 0.04 0.13 -0.02 0.00 0.47 -4.95 105.19 101.95 1nji n GLY 129 Ca 0.19 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1nji n GLY 129 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1nji h GLU 130 N -1.41 0.00 -5.24 1.61 4.39 -1.34 -3.46 114.58 109.14 1nji h GLU 130 Ca -0.34 0.00 -0.66 0.00 0.34 0.00 0.00 59.36 58.70 1nji h GLU 130 Cb 1.21 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 29.56 1nji h GLU 130 CO 0.31 0.00 -0.80 -0.06 -1.16 0.00 0.00 179.01 177.30 1nji s PHE 131 N -3.30 2.76 0.29 4.33 0.40 -1.26 -5.01 117.98 116.20 1nji s PHE 131 Ca 0.02 -0.93 0.17 0.00 -0.60 0.00 0.00 56.93 55.60 1nji s PHE 131 Cb 0.09 -1.86 0.79 0.00 0.51 0.00 0.00 43.02 42.55 1nji s PHE 131 CO 0.75 -0.39 1.81 -0.44 0.70 0.00 0.00 175.22 177.64 1nji h ASP 132 N 7.07 0.00 -5.19 1.36 3.32 -1.91 -3.47 116.42 117.59 1nji h ASP 132 Ca -0.29 0.00 0.06 0.00 0.02 0.00 0.00 57.03 56.82 1nji h ASP 132 Cb 1.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 1nji h ASP 132 CO 0.55 0.36 0.42 -0.94 -1.72 0.00 0.00 179.24 177.91 1nji s SER 133 N -6.61 0.01 0.07 6.45 1.04 -1.26 -4.99 113.70 108.41 1nji s SER 133 Ca -0.02 -0.94 -0.24 0.00 0.48 0.00 0.00 55.95 55.23 1nji s SER 133 Cb 0.13 0.69 -0.16 0.00 0.10 0.00 0.00 66.02 66.78 1nji s SER 133 CO 0.69 -1.38 1.64 0.58 0.98 0.00 0.00 173.24 175.76 1nji h VAL 134 N 2.00 1.06 -0.55 5.02 2.07 -1.91 -1.49 116.25 122.45 1nji h VAL 134 Ca -0.30 -0.22 0.11 0.00 0.82 0.00 0.00 66.70 67.10 1nji h VAL 134 Cb 1.24 1.21 -0.11 0.00 -1.52 0.00 0.00 31.29 32.11 1nji h VAL 134 CO 0.39 0.06 -0.14 0.00 0.02 0.00 0.00 177.57 177.89 1nji h ALA 135 N 0.88 0.36 -0.50 1.67 0.00 -1.99 0.52 119.26 120.20 1nji h ALA 135 Ca -0.00 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1nji h ALA 135 Cb 0.11 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1nji h ALA 135 CO 0.00 -0.44 0.33 0.22 0.00 0.00 0.00 179.25 179.36 1nji h ASP 136 N -0.00 0.55 0.16 0.00 3.58 -1.89 0.14 116.42 118.95 1nji h ASP 136 Ca 0.26 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.70 1nji h ASP 136 Cb 0.41 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.33 1nji h ASP 136 CO -0.57 0.39 -0.08 0.25 -2.88 0.00 0.00 179.24 176.35 1nji h LEU 137 N 0.64 -0.18 -0.49 2.28 5.85 0.92 -2.24 115.31 122.09 1nji h LEU 137 Ca 0.19 -0.33 0.10 0.00 0.84 0.00 0.00 57.88 58.68 1nji h LEU 137 Cb -0.03 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 40.97 1nji h LEU 137 CO -0.04 0.28 -0.03 -0.33 -0.34 0.00 0.00 178.44 177.98 1nji h GLU 138 N -0.68 0.08 -0.41 1.25 5.08 -0.00 -0.08 114.58 119.82 1nji h GLU 138 Ca -0.02 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1nji h GLU 138 Cb 0.50 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.66 1nji h GLU 138 CO 0.04 0.06 -0.04 0.00 -1.00 0.00 0.00 179.01 178.06 1nji h ARG 139 N 0.09 0.06 -0.84 2.33 3.08 -0.69 -0.66 114.38 117.75 1nji h ARG 139 Ca 0.24 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.31 1nji h ARG 139 Cb 0.37 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 1nji h ARG 139 CO -0.43 0.04 0.55 -0.92 -1.07 0.00 0.00 179.97 178.14 1nji h TYR 140 N 0.06 1.04 -0.94 3.04 3.20 -0.66 -2.61 116.97 120.10 1nji h TYR 140 Ca 0.20 0.03 0.13 0.00 3.14 0.00 0.00 58.73 62.23 1nji h TYR 140 Cb 0.30 -0.35 -0.09 0.00 1.54 0.00 0.00 36.73 38.13 1nji h TYR 140 CO -0.31 0.63 0.56 0.82 -1.64 0.00 0.00 178.16 178.23 1nji h ILE 141 N 1.10 0.85 0.00 1.81 2.04 0.52 -1.77 117.51 122.06 1nji h ILE 141 Ca 0.32 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.84 1nji h ILE 141 Cb -0.06 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 35.92 1nji h ILE 141 CO -0.09 0.16 -0.09 0.47 0.00 0.00 0.00 178.15 178.60 1nji n ASP 142 N -4.71 4.73 0.00 1.72 8.00 -0.98 -5.11 116.55 120.20 1nji n ASP 142 Ca 0.18 -2.29 0.00 0.00 0.71 0.00 0.00 54.79 53.39 1nji n ASP 142 Cb 0.39 -1.08 0.00 0.00 -0.02 0.00 0.00 41.12 40.40 1nji n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81