#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nji s PRO 2 N 0.00 2.84 0.51 1.97 0.02 -1.26 -4.92 135.00 134.16 1nji s PRO 2 Ca 0.00 1.77 0.28 0.00 0.02 0.00 0.00 61.00 63.08 1nji s PRO 2 Cb 0.00 -1.92 1.37 0.00 0.02 0.00 0.00 34.50 33.97 1nji s PRO 2 CO 0.00 -1.30 2.02 0.78 -0.33 0.00 0.00 177.00 178.17 1nji h GLY 3 N 0.63 0.00 -0.32 0.52 0.00 -2.01 -2.71 103.07 99.18 1nji h GLY 3 Ca -0.50 0.00 0.32 0.00 0.00 0.00 0.00 47.33 47.15 1nji h GLY 3 CO 0.54 0.00 0.78 0.00 0.00 0.00 0.00 176.54 177.87 1nji h ALA 4 N 1.87 2.76 0.00 3.60 0.00 -2.01 0.32 119.26 125.81 1nji h ALA 4 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1nji h ALA 4 Cb 0.45 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1nji h ALA 4 CO 0.02 -1.14 0.00 0.52 0.00 0.00 0.00 179.25 178.64 1nji h MET 5 N 0.15 0.00 0.00 0.00 2.86 -1.87 -3.40 114.93 112.68 1nji h MET 5 Ca 0.59 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.23 1nji h MET 5 Cb 1.99 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.65 1nji h MET 5 CO -0.14 0.00 0.00 0.66 1.06 0.00 0.00 176.91 178.49 1nji n TYR 6 N -2.76 0.00 0.30 -0.22 4.02 0.95 -4.86 117.16 114.58 1nji n TYR 6 Ca 0.04 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 58.10 1nji n TYR 6 Cb 0.44 0.00 0.79 0.00 -0.02 0.00 0.00 39.34 40.55 1nji n TYR 6 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 1nji h ARG 7 N 0.00 0.00 -6.47 -0.72 0.11 -1.30 -3.41 114.38 102.59 1nji h ARG 7 Ca 0.00 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.55 1nji h ARG 7 Cb 0.32 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.36 1nji h ARG 7 CO 0.00 0.00 -0.01 -0.80 0.10 0.00 0.00 179.97 179.26 1nji s ASN 8 N -4.98 6.84 -0.62 0.08 0.02 -1.26 -1.16 114.94 113.86 1nji s ASN 8 Ca -0.01 1.17 -0.02 0.00 -1.02 0.00 0.00 52.86 52.99 1nji s ASN 8 Cb 0.10 -2.32 0.36 0.00 0.02 0.00 0.00 41.25 39.41 1nji s ASN 8 CO 0.42 0.01 2.08 -1.20 0.02 0.00 0.00 177.10 178.43 1nji n SER 9 N 0.44 7.38 0.04 -1.22 7.64 -1.26 -4.56 113.62 122.08 1nji n SER 9 Ca -0.02 -3.63 0.12 0.00 1.01 0.00 0.00 58.87 56.35 1nji n SER 9 Cb 0.52 -1.03 0.29 0.00 -1.01 0.00 0.00 64.21 62.99 1nji n SER 9 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1nji n SER 10 N -0.51 0.56 -4.94 6.43 3.41 -1.26 -4.91 113.62 112.40 1nji n SER 10 Ca 0.54 0.15 -0.24 0.00 -0.26 0.00 0.00 58.87 59.07 1nji n SER 10 Cb 0.56 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.43 1nji n SER 10 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1nji s LYS 11 N -3.09 3.49 0.76 4.33 1.02 -1.26 -5.07 119.74 119.91 1nji s LYS 11 Ca 0.09 -0.39 -0.15 0.00 0.02 0.00 0.00 55.97 55.55 1nji s LYS 11 Cb 0.15 -2.71 0.03 0.00 -0.52 0.00 0.00 37.83 34.78 1nji s LYS 11 CO 0.67 0.22 1.05 -2.30 -0.92 0.00 0.00 175.35 174.07 1nji n PRO 12 N -1.59 0.40 -2.13 -1.68 -0.02 -1.26 -4.89 135.00 123.83 1nji n PRO 12 Ca -0.05 0.20 -0.42 0.00 -2.02 0.00 0.00 63.50 61.21 1nji n PRO 12 Cb 0.56 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 1nji n PRO 12 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nji s ALA 13 N -1.92 3.61 -0.49 3.55 0.00 -1.26 -4.94 121.76 120.31 1nji s ALA 13 Ca 0.73 1.17 0.03 0.00 0.00 0.00 0.00 51.96 53.90 1nji s ALA 13 Cb -0.32 -3.54 0.15 0.00 0.00 0.00 0.00 23.12 19.41 1nji s ALA 13 CO 0.50 -0.63 0.33 -0.47 0.00 0.00 0.00 175.76 175.49 1nji s TYR 14 N 0.85 2.03 0.00 0.00 5.04 -1.26 -4.93 117.35 119.09 1nji s TYR 14 Ca 0.64 -2.57 0.00 0.00 -2.44 0.00 0.00 57.07 52.70 1nji s TYR 14 Cb -0.38 -1.75 0.00 0.00 0.35 0.00 0.00 41.96 40.18 1nji s TYR 14 CO 0.33 -0.74 0.18 0.25 -1.34 0.00 0.00 175.55 174.23 1nji n THR 15 N 3.00 0.00 -2.38 4.34 -2.24 -1.26 -1.05 114.28 114.69 1nji n THR 15 Ca 0.17 -0.19 -0.38 0.00 -2.27 0.00 0.00 64.05 61.38 1nji n THR 15 Cb 0.39 1.59 -0.03 0.00 -2.10 0.00 0.00 70.33 70.18 1nji n THR 15 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1nji s ARG 16 N -0.02 3.11 0.27 -0.78 1.81 -1.26 -4.83 118.95 117.25 1nji s ARG 16 Ca 0.00 -0.36 0.19 0.00 -1.72 0.00 0.00 55.73 53.84 1nji s ARG 16 Cb 0.00 -4.71 1.01 0.00 -0.45 0.00 0.00 34.95 30.79 1nji s ARG 16 CO 0.00 -2.47 1.58 0.54 -0.68 0.00 0.00 175.30 174.27 1nji n ARG 17 N 9.11 0.13 0.01 3.54 1.74 -1.26 -1.09 116.66 128.84 1nji n ARG 17 Ca 0.21 0.60 0.11 0.00 -0.77 0.00 0.00 57.85 58.00 1nji n ARG 17 Cb 0.50 -1.89 0.49 0.00 -1.02 0.00 0.00 32.46 30.54 1nji n ARG 17 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1nji n GLU 18 N -2.15 0.02 0.00 5.56 0.00 -1.26 -3.15 120.64 119.66 1nji n GLU 18 Ca -0.01 0.12 0.00 0.00 0.00 0.00 0.00 57.16 57.27 1nji n GLU 18 Cb 0.05 -1.53 0.00 0.00 0.00 0.00 0.00 31.44 29.96 1nji n GLU 18 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1nji n TYR 19 N -1.57 0.00 -4.63 -1.84 4.02 -0.25 -5.01 117.16 107.88 1nji n TYR 19 Ca 0.05 -0.02 -0.26 0.00 -0.01 0.00 0.00 57.90 57.66 1nji n TYR 19 Cb 0.28 -0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.43 1nji n TYR 19 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1nji s ILE 20 N -0.05 1.27 0.34 -0.72 1.01 -1.02 -5.08 121.20 116.95 1nji s ILE 20 Ca 0.00 -0.55 0.06 0.00 0.00 0.00 0.00 60.65 60.16 1nji s ILE 20 Cb 0.00 -1.16 -0.07 0.00 0.01 0.00 0.00 42.46 41.25 1nji s ILE 20 CO 0.00 0.39 -0.01 -0.94 0.00 0.00 0.00 174.94 174.38 1nji s SER 21 N 0.69 3.06 -0.62 3.58 1.04 -1.26 -4.64 113.70 115.54 1nji s SER 21 Ca -0.14 -1.30 -0.01 0.00 0.48 0.00 0.00 55.95 54.99 1nji s SER 21 Cb -0.16 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.74 1nji s SER 21 CO 0.03 -0.44 0.09 0.61 0.98 0.00 0.00 173.24 174.51 1nji n GLY 22 N -0.75 0.12 3.68 7.32 0.00 -1.26 -4.79 105.19 109.51 1nji n GLY 22 Ca -0.04 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1nji n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nji s ILE 23 N -2.53 4.79 0.53 -0.61 1.01 -1.26 -4.79 121.20 118.35 1nji s ILE 23 Ca 0.04 1.96 -0.22 0.00 0.00 0.00 0.00 60.65 62.43 1nji s ILE 23 Cb -0.02 -4.28 -0.06 0.00 0.01 0.00 0.00 42.46 38.12 1nji s ILE 23 CO 0.05 -0.01 1.35 -2.65 0.00 0.00 0.00 174.94 173.67 1nji n PRO 24 N 5.21 1.74 -1.25 2.79 -0.02 -1.26 -4.97 135.00 137.23 1nji n PRO 24 Ca 0.08 0.63 -0.31 0.00 -2.02 0.00 0.00 63.50 61.89 1nji n PRO 24 Cb 0.48 -2.55 0.09 0.00 -0.02 0.00 0.00 33.50 31.51 1nji n PRO 24 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1nji s GLY 25 N -0.85 1.67 0.30 -1.23 0.00 -1.26 -4.83 107.32 101.12 1nji s GLY 25 Ca 0.70 0.25 -0.26 0.00 0.00 0.00 0.00 44.72 45.41 1nji s GLY 25 CO 0.51 0.61 0.92 1.25 0.00 0.00 0.00 173.10 176.38 1nji s LYS 26 N -4.90 4.59 0.00 2.90 2.20 -1.26 -4.96 119.74 118.30 1nji s LYS 26 Ca 0.61 1.30 0.27 0.00 -0.36 0.00 0.00 55.97 57.79 1nji s LYS 26 Cb -0.17 -2.87 0.84 0.00 -1.51 0.00 0.00 37.83 34.11 1nji s LYS 26 CO 0.56 0.32 1.63 1.63 -0.36 0.00 0.00 175.35 179.13 1nji n LYS 27 N 0.70 0.46 -2.11 4.03 5.02 -1.26 -4.84 118.16 120.17 1nji n LYS 27 Ca 0.01 -0.23 -0.43 0.00 -2.02 0.00 0.00 58.31 55.64 1nji n LYS 27 Cb 0.50 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.99 1nji n LYS 27 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1nji s ILE 28 N -2.70 3.68 0.00 -0.18 1.01 -1.26 -4.83 121.20 116.93 1nji s ILE 28 Ca 0.20 0.76 -0.24 0.00 0.00 0.00 0.00 60.65 61.37 1nji s ILE 28 Cb 0.19 -3.71 -0.18 0.00 0.01 0.00 0.00 42.46 38.77 1nji s ILE 28 CO 0.57 -0.32 1.31 0.00 0.00 0.00 0.00 174.94 176.50 1nji h ALA 29 N 10.94 0.08 -2.60 9.38 0.00 -1.94 -3.47 119.26 131.63 1nji h ALA 29 Ca -0.34 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.18 1nji h ALA 29 Cb 1.15 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.80 1nji h ALA 29 CO 1.01 -0.14 -0.41 -0.65 0.00 0.00 0.00 179.25 179.06 1nji s GLN 30 N -4.35 1.14 0.00 0.00 -0.21 -1.26 -5.04 119.66 109.94 1nji s GLN 30 Ca -0.15 -1.29 0.00 0.00 0.02 0.00 0.00 55.36 53.94 1nji s GLN 30 Cb 0.03 0.34 0.00 0.00 1.00 0.00 0.00 33.01 34.38 1nji s GLN 30 CO 0.70 -0.40 0.00 1.19 -2.12 0.00 0.00 175.29 174.66 1nji n PHE 31 N -0.21 0.00 -4.17 0.91 3.01 -1.26 -4.91 117.46 110.83 1nji n PHE 31 Ca -0.05 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.07 1nji n PHE 31 Cb 0.63 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.96 1nji n PHE 31 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1nji s ASP 32 N -2.17 3.96 0.32 4.37 1.01 -1.26 -2.39 116.67 120.50 1nji s ASP 32 Ca 0.00 -0.44 0.06 0.00 0.71 0.00 0.00 52.55 52.88 1nji s ASP 32 Cb 0.00 -1.65 -0.06 0.00 1.01 0.00 0.00 42.92 42.22 1nji s ASP 32 CO 0.00 0.03 -0.01 -0.04 0.21 0.00 0.00 175.17 175.36 1nji s MET 33 N 1.17 1.65 4.28 8.23 -1.94 0.21 -4.96 119.30 127.94 1nji s MET 33 Ca 0.02 -1.88 0.00 0.00 -1.71 0.00 0.00 55.69 52.11 1nji s MET 33 Cb -0.14 -1.13 0.00 0.00 2.01 0.00 0.00 34.83 35.57 1nji s MET 33 CO -0.03 -0.06 0.00 0.41 -0.01 0.00 0.00 175.02 175.33 1nji n GLY 34 N -0.68 0.75 3.49 -0.03 0.00 -1.26 -1.48 105.19 105.98 1nji n GLY 34 Ca -0.04 -0.85 -0.44 0.00 0.00 0.00 0.00 46.02 44.69 1nji n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nji s ASN 35 N -4.00 7.00 0.00 1.61 0.01 0.91 -4.77 114.94 115.70 1nji s ASN 35 Ca 0.00 -2.82 0.22 0.00 -0.71 0.00 0.00 52.86 49.55 1nji s ASN 35 Cb 0.00 -2.44 1.06 0.00 0.41 0.00 0.00 41.25 40.27 1nji s ASN 35 CO 0.00 -0.86 1.73 -0.46 -1.51 0.00 0.00 177.10 175.99 1nji n ASN 36 N 6.35 0.00 0.07 -1.22 0.23 -1.26 -2.47 115.26 116.96 1nji n ASN 36 Ca 0.39 0.21 -0.07 0.00 -0.53 0.00 0.00 54.58 54.58 1nji n ASN 36 Cb 0.44 -0.38 0.08 0.00 -2.08 0.00 0.00 39.78 37.83 1nji n ASN 36 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1nji h GLY 37 N 3.78 0.32 -2.59 4.83 0.00 -1.96 -3.44 103.07 104.00 1nji h GLY 37 Ca 0.00 -0.42 -0.50 0.00 0.00 0.00 0.00 47.33 46.41 1nji h GLY 37 CO 0.00 0.38 -0.02 0.00 0.00 0.00 0.00 176.54 176.90 1nji s ALA 38 N -3.67 3.51 0.31 3.60 0.00 -1.03 -5.11 121.76 119.37 1nji s ALA 38 Ca -0.04 -0.54 0.07 0.00 0.00 0.00 0.00 51.96 51.45 1nji s ALA 38 Cb 0.11 -2.43 -0.02 0.00 0.00 0.00 0.00 23.12 20.78 1nji s ALA 38 CO 0.81 -0.04 0.35 0.20 0.00 0.00 0.00 175.76 177.09 1nji s GLY 39 N -3.61 1.59 -0.54 0.00 0.00 -1.26 -4.96 107.32 98.54 1nji s GLY 39 Ca 0.46 -1.50 -0.20 0.00 0.00 0.00 0.00 44.72 43.48 1nji s GLY 39 CO 0.36 -1.45 1.64 -1.05 0.00 0.00 0.00 173.10 172.60 1nji n PRO 40 N -1.45 0.04 -2.15 2.90 -0.02 -1.26 -4.56 135.00 128.50 1nji n PRO 40 Ca -0.03 -1.07 -0.27 0.00 -2.02 0.00 0.00 63.50 60.11 1nji n PRO 40 Cb 0.59 -2.80 0.02 0.00 -0.02 0.00 0.00 33.50 31.28 1nji n PRO 40 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1nji n THR 41 N 7.27 2.61 -4.18 3.45 -2.24 -1.26 -5.04 114.28 114.89 1nji n THR 41 Ca 0.31 -4.42 -0.29 0.00 -2.27 0.00 0.00 64.05 57.39 1nji n THR 41 Cb 0.45 -1.20 -0.08 0.00 -2.10 0.00 0.00 70.33 67.39 1nji n THR 41 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1nji s TYR 42 N -3.62 2.87 0.02 4.78 1.51 -1.26 -5.05 117.35 116.60 1nji s TYR 42 Ca 0.51 -0.10 -0.25 0.00 -1.01 0.00 0.00 57.07 56.22 1nji s TYR 42 Cb 0.42 -1.45 -0.18 0.00 -0.11 0.00 0.00 41.96 40.64 1nji s TYR 42 CO -0.08 0.48 1.43 -1.35 -1.11 0.00 0.00 175.55 174.92 1nji h PRO 43 N 3.17 -0.05 -5.81 -1.71 0.11 -1.90 -3.45 132.00 122.35 1nji h PRO 43 Ca -0.48 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 64.98 1nji h PRO 43 Cb 1.18 0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.22 1nji h PRO 43 CO 0.57 0.25 -0.52 0.00 -0.21 0.00 0.00 178.00 178.09 1nji s ALA 44 N -5.00 3.78 -0.30 -0.75 0.00 -0.19 -4.32 121.76 114.98 1nji s ALA 44 Ca -0.15 -0.75 -0.03 0.00 0.00 0.00 0.00 51.96 51.03 1nji s ALA 44 Cb 0.03 -1.80 0.11 0.00 0.00 0.00 0.00 23.12 21.46 1nji s ALA 44 CO 0.66 0.68 0.16 -1.14 0.00 0.00 0.00 175.76 176.12 1nji s GLN 45 N -1.50 0.28 0.14 0.00 0.74 -1.09 -1.39 119.66 116.84 1nji s GLN 45 Ca 0.21 -0.68 -0.04 0.00 0.05 0.00 0.00 55.36 54.90 1nji s GLN 45 Cb -0.12 -1.15 -0.05 0.00 1.10 0.00 0.00 33.01 32.78 1nji s GLN 45 CO 0.11 -1.06 0.36 0.08 -0.55 0.00 0.00 175.29 174.23 1nji s VAL 46 N 1.88 5.20 0.03 1.34 1.01 -1.08 -0.59 120.40 128.19 1nji s VAL 46 Ca 0.11 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1nji s VAL 46 Cb -0.17 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 1nji s VAL 46 CO -0.28 0.02 -0.07 -1.61 0.00 0.00 0.00 175.10 173.16 1nji s GLU 47 N -2.73 0.51 -0.38 2.72 2.02 0.45 -0.83 118.70 120.46 1nji s GLU 47 Ca 0.40 -0.65 -0.14 0.00 0.02 0.00 0.00 54.97 54.60 1nji s GLU 47 Cb -0.12 -0.32 0.00 0.00 0.10 0.00 0.00 34.13 33.79 1nji s GLU 47 CO 0.26 0.06 0.27 -1.17 0.02 0.00 0.00 175.26 174.71 1nji s LEU 48 N -1.29 4.82 -0.28 1.80 2.96 -0.43 -0.18 118.68 126.08 1nji s LEU 48 Ca -0.07 -0.66 -0.09 0.00 -0.22 0.00 0.00 54.13 53.09 1nji s LEU 48 Cb -0.08 -2.15 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 1nji s LEU 48 CO 0.00 -0.35 0.12 -0.69 -1.32 0.00 0.00 176.35 174.12 1nji s VAL 49 N 1.71 4.54 0.24 1.68 1.01 0.68 -1.12 120.40 129.14 1nji s VAL 49 Ca 0.06 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 1nji s VAL 49 Cb -0.18 -3.23 -0.10 0.00 0.00 0.00 0.00 36.38 32.87 1nji s VAL 49 CO 0.10 0.19 1.40 -0.69 0.00 0.00 0.00 175.10 176.11 1nji s VAL 50 N 1.62 2.81 -1.83 2.92 1.01 -0.54 -1.20 120.40 125.19 1nji s VAL 50 Ca 0.05 0.68 0.21 0.00 0.00 0.00 0.00 61.98 62.92 1nji s VAL 50 Cb -0.16 -3.43 0.63 0.00 0.00 0.00 0.00 36.38 33.42 1nji s VAL 50 CO 0.06 0.11 1.53 -0.62 0.00 0.00 0.00 175.10 176.17 1nji n GLU 51 N 2.41 2.81 -3.64 2.72 1.02 -1.03 0.20 120.64 125.14 1nji n GLU 51 Ca 0.07 -2.64 -0.12 0.00 -0.02 0.00 0.00 57.16 54.45 1nji n GLU 51 Cb 0.41 -1.57 -0.07 0.00 -0.02 0.00 0.00 31.44 30.19 1nji n GLU 51 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1nji s LYS 52 N -1.06 0.76 0.13 3.49 1.02 -1.26 -4.68 119.74 118.14 1nji s LYS 52 Ca 0.47 1.05 -0.31 0.00 0.02 0.00 0.00 55.97 57.20 1nji s LYS 52 Cb 0.25 0.30 -0.09 0.00 -0.52 0.00 0.00 37.83 37.76 1nji s LYS 52 CO 0.32 -0.12 1.63 -2.14 -0.92 0.00 0.00 175.35 174.12 1nji s PRO 53 N 0.81 4.20 0.32 -1.68 0.02 -1.26 -3.98 135.00 133.43 1nji s PRO 53 Ca -0.04 2.38 -0.08 0.00 0.02 0.00 0.00 61.00 63.28 1nji s PRO 53 Cb -0.05 -3.36 0.01 0.00 0.02 0.00 0.00 34.50 31.12 1nji s PRO 53 CO -0.06 -0.68 0.53 0.14 -0.33 0.00 0.00 177.00 176.60 1nji s VAL 54 N 1.85 0.00 -0.17 3.83 -7.23 -0.26 -4.78 120.40 113.64 1nji s VAL 54 Ca 0.73 -1.43 -0.01 0.00 -1.81 0.00 0.00 61.98 59.46 1nji s VAL 54 Cb -0.43 -2.54 -0.01 0.00 0.56 0.00 0.00 36.38 33.96 1nji s VAL 54 CO 0.32 0.00 -0.10 -1.10 -0.31 0.00 0.00 175.10 173.91 1nji s GLN 55 N -3.23 3.33 -0.28 4.82 -0.21 -0.31 -0.76 119.66 123.03 1nji s GLN 55 Ca 0.25 -0.68 -0.03 0.00 0.02 0.00 0.00 55.36 54.92 1nji s GLN 55 Cb -0.01 -2.77 0.03 0.00 1.00 0.00 0.00 33.01 31.26 1nji s GLN 55 CO 0.15 0.00 -0.01 0.42 -2.12 0.00 0.00 175.29 173.73 1nji s ILE 56 N 0.90 3.12 0.52 1.08 1.01 0.79 -4.34 121.20 124.28 1nji s ILE 56 Ca -0.02 -1.09 -0.22 0.00 0.00 0.00 0.00 60.65 59.31 1nji s ILE 56 Cb -0.15 -2.67 -0.06 0.00 0.01 0.00 0.00 42.46 39.60 1nji s ILE 56 CO -0.00 0.06 1.28 -0.13 0.00 0.00 0.00 174.94 176.15 1nji s ARG 57 N 1.33 3.35 0.58 2.79 0.52 -1.26 0.54 118.95 126.80 1nji s ARG 57 Ca -0.01 2.05 0.30 0.00 -0.52 0.00 0.00 55.73 57.55 1nji s ARG 57 Cb -0.18 -2.30 1.65 0.00 0.52 0.00 0.00 34.95 34.65 1nji s ARG 57 CO -0.02 -0.96 1.91 1.12 0.02 0.00 0.00 175.30 177.37 1nji h HIS 58 N 1.64 0.00 0.75 -0.53 2.07 -1.73 0.81 115.15 118.16 1nji h HIS 58 Ca -0.50 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 56.98 1nji h HIS 58 Cb 1.28 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.27 1nji h HIS 58 CO 0.49 0.00 -0.36 -0.91 -3.07 0.00 0.00 177.93 174.08 1nji h ASN 59 N 0.00 -0.85 -0.74 3.10 -0.26 -1.88 -1.89 115.58 113.06 1nji h ASN 59 Ca 0.00 0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.72 1nji h ASN 59 Cb 0.42 0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 37.86 1nji h ASN 59 CO 0.00 -0.55 0.34 0.00 -1.06 0.00 0.00 177.43 176.17 1nji h ALA 60 N -0.92 1.18 0.08 -0.83 0.00 -1.17 -2.02 119.26 115.59 1nji h ALA 60 Ca -0.10 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.67 1nji h ALA 60 Cb 0.79 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1nji h ALA 60 CO 0.17 0.61 -0.20 -0.07 0.00 0.00 0.00 179.25 179.76 1nji h LEU 61 N 1.08 -0.57 -0.44 0.00 -0.00 -1.19 0.18 115.31 114.37 1nji h LEU 61 Ca 0.26 0.07 0.03 0.00 -0.00 0.00 0.00 57.88 58.24 1nji h LEU 61 Cb 0.14 0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 40.99 1nji h LEU 61 CO -0.03 -0.28 0.24 -0.08 -0.00 0.00 0.00 178.44 178.29 1nji h GLU 62 N -0.37 0.47 -0.78 1.13 4.57 -1.10 0.26 114.58 118.77 1nji h GLU 62 Ca 0.04 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1nji h GLU 62 Cb 0.40 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 1nji h GLU 62 CO -0.13 0.31 0.27 0.00 -1.18 0.00 0.00 179.01 178.28 1nji h ALA 63 N 1.21 1.01 0.18 2.92 0.00 -1.14 0.15 119.26 123.60 1nji h ALA 63 Ca 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1nji h ALA 63 Cb 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1nji h ALA 63 CO -0.11 0.67 -0.09 0.00 0.00 0.00 0.00 179.25 179.73 1nji h ALA 64 N 1.15 -0.24 0.48 0.00 0.00 -0.19 -1.38 119.26 119.08 1nji h ALA 64 Ca 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1nji h ALA 64 Cb 0.27 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1nji h ALA 64 CO -0.01 -0.52 -0.26 -0.09 0.00 0.00 0.00 179.25 178.37 1nji h ARG 65 N -0.48 -0.66 0.02 0.00 2.43 -0.32 -2.09 114.38 113.28 1nji h ARG 65 Ca -0.02 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1nji h ARG 65 Cb 0.37 0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.01 1nji h ARG 65 CO 0.04 -0.44 -0.40 0.28 -1.51 0.00 0.00 179.97 177.95 1nji h VAL 66 N -0.68 0.19 -1.08 0.20 2.07 -0.75 0.91 116.25 117.10 1nji h VAL 66 Ca -0.06 0.00 0.31 0.00 0.82 0.00 0.00 66.70 67.77 1nji h VAL 66 Cb 0.54 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1nji h VAL 66 CO 0.09 0.00 0.79 0.00 0.02 0.00 0.00 177.57 178.47 1nji h ALA 67 N 0.01 3.01 0.00 1.67 0.00 -1.12 0.71 119.26 123.54 1nji h ALA 67 Ca 0.05 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1nji h ALA 67 Cb 0.64 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1nji h ALA 67 CO -0.29 -1.34 -0.64 0.00 0.00 0.00 0.00 179.25 176.98 1nji h ALA 68 N 1.44 0.10 -0.58 0.00 0.00 -0.38 -3.30 119.26 116.54 1nji h ALA 68 Ca 0.51 -0.70 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1nji h ALA 68 Cb 2.08 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 20.29 1nji h ALA 68 CO -0.01 0.43 0.05 -0.97 0.00 0.00 0.00 179.25 178.76 1nji h ASN 69 N -1.00 0.96 -0.19 0.00 -0.00 -0.49 -0.37 115.58 114.49 1nji h ASN 69 Ca -0.13 -0.28 0.05 0.00 -0.00 0.00 0.00 56.30 55.94 1nji h ASN 69 Cb 0.80 -0.26 -0.01 0.00 -0.00 0.00 0.00 38.32 38.86 1nji h ASN 69 CO -0.08 1.01 0.14 -0.09 -0.00 0.00 0.00 177.43 178.41 1nji h ARG 70 N 0.89 0.00 0.02 6.67 2.43 0.24 -0.21 114.38 124.41 1nji h ARG 70 Ca 0.17 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 59.09 1nji h ARG 70 Cb 0.48 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 1nji h ARG 70 CO 0.02 0.00 -1.35 -0.92 -1.51 0.00 0.00 179.97 176.21 1nji h TYR 71 N 0.00 0.06 0.00 2.20 3.20 -1.46 -3.26 116.97 117.72 1nji h TYR 71 Ca 0.09 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1nji h TYR 71 Cb 0.37 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1nji h TYR 71 CO 0.00 1.05 0.00 1.55 -1.64 0.00 0.00 178.16 179.12 1nji n VAL 72 N -3.25 0.00 -1.96 1.81 3.14 -0.09 -2.59 118.33 115.39 1nji n VAL 72 Ca -0.09 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 60.93 1nji n VAL 72 Cb 1.00 -0.60 -0.00 0.00 -1.06 0.00 0.00 33.84 33.18 1nji n VAL 72 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1nji n GLN 73 N -0.61 3.56 0.00 1.45 3.00 -1.23 -2.60 117.38 120.96 1nji n GLN 73 Ca 0.00 -3.40 0.00 0.00 -0.01 0.00 0.00 57.00 53.59 1nji n GLN 73 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 30.24 27.90 1nji n GLN 73 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1nji n ASN 74 N 0.40 0.38 -0.00 1.08 5.15 -1.07 -4.37 115.26 116.83 1nji n ASN 74 Ca 0.53 -0.69 0.02 0.00 -0.60 0.00 0.00 54.58 53.84 1nji n ASN 74 Cb 0.33 0.46 -0.03 0.00 -0.53 0.00 0.00 39.78 40.01 1nji n ASN 74 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1nji n SER 75 N -0.46 2.93 0.00 1.20 7.64 -1.07 -5.13 113.62 118.73 1nji n SER 75 Ca 0.00 -0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1nji n SER 75 Cb 0.02 1.13 0.00 0.00 -1.01 0.00 0.00 64.21 64.35 1nji n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nji n GLY 76 N 1.93 2.40 0.39 0.23 0.00 -1.25 -4.04 105.19 104.84 1nji n GLY 76 Ca -0.00 -1.76 0.22 0.00 0.00 0.00 0.00 46.02 44.47 1nji n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nji h ALA 77 N 0.00 2.09 -0.25 4.61 0.00 -1.92 0.21 119.26 124.01 1nji h ALA 77 Ca 0.00 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1nji h ALA 77 Cb 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.74 1nji h ALA 77 CO 0.00 -0.54 -0.27 0.00 0.00 0.00 0.00 179.25 178.44 1nji n ALA 78 N -2.41 4.15 -0.59 0.00 0.00 -1.26 -4.97 120.51 115.42 1nji n ALA 78 Ca 0.27 -3.26 -0.30 0.00 0.00 0.00 0.00 53.44 50.15 1nji n ALA 78 Cb 0.86 -0.58 0.21 0.00 0.00 0.00 0.00 19.45 19.93 1nji n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nji n ALA 79 N -1.10 -3.04 -3.09 0.00 0.00 0.06 -4.92 120.51 108.42 1nji n ALA 79 Ca 0.29 -1.09 -0.45 0.00 0.00 0.00 0.00 53.44 52.19 1nji n ALA 79 Cb 0.90 -1.85 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 1nji n ALA 79 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1nji s ASN 80 N -2.21 6.80 -0.12 0.00 3.04 -1.26 -4.44 114.94 116.74 1nji s ASN 80 Ca 0.63 -2.53 -0.32 0.00 0.04 0.00 0.00 52.86 50.68 1nji s ASN 80 Cb -0.21 -2.32 0.13 0.00 -1.54 0.00 0.00 41.25 37.31 1nji s ASN 80 CO 0.65 -0.79 1.08 -0.72 -3.04 0.00 0.00 177.10 174.28 1nji s TYR 81 N 1.38 -0.22 -0.03 0.43 -0.85 -1.26 -4.59 117.35 112.20 1nji s TYR 81 Ca 0.30 0.15 0.01 0.00 -0.52 0.00 0.00 57.07 57.01 1nji s TYR 81 Cb -0.07 0.52 0.02 0.00 0.38 0.00 0.00 41.96 42.81 1nji s TYR 81 CO -0.08 -0.34 -0.05 -1.59 -1.52 0.00 0.00 175.55 171.98 1nji s LYS 82 N -2.60 0.75 -0.12 -3.49 -2.85 -1.05 -0.06 119.74 110.31 1nji s LYS 82 Ca 0.07 -0.13 -0.00 0.00 -1.00 0.00 0.00 55.97 54.91 1nji s LYS 82 Cb -0.01 -0.75 -0.02 0.00 -2.06 0.00 0.00 37.83 34.99 1nji s LYS 82 CO -0.06 -0.03 -0.12 0.12 0.10 0.00 0.00 175.35 175.37 1nji s PHE 83 N 0.66 2.83 -0.06 1.78 5.36 -0.55 -0.96 117.98 127.05 1nji s PHE 83 Ca -0.09 -0.50 0.01 0.00 -0.96 0.00 0.00 56.93 55.39 1nji s PHE 83 Cb -0.12 -1.83 0.02 0.00 -0.34 0.00 0.00 43.02 40.76 1nji s PHE 83 CO 0.00 -0.11 -0.04 1.03 -1.46 0.00 0.00 175.22 174.64 1nji s ARG 84 N 0.16 0.89 -0.44 10.12 0.52 0.90 -0.61 118.95 130.49 1nji s ARG 84 Ca -0.06 -0.09 -0.13 0.00 -0.52 0.00 0.00 55.73 54.92 1nji s ARG 84 Cb -0.15 -0.95 0.06 0.00 0.52 0.00 0.00 34.95 34.43 1nji s ARG 84 CO 0.04 -0.13 0.32 -1.50 0.02 0.00 0.00 175.30 174.06 1nji s ILE 85 N 1.16 4.87 -1.30 1.52 2.07 -1.00 -0.52 121.20 127.99 1nji s ILE 85 Ca -0.07 -1.09 0.30 0.00 -1.41 0.00 0.00 60.65 58.38 1nji s ILE 85 Cb -0.14 -3.88 0.44 0.00 0.13 0.00 0.00 42.46 39.01 1nji s ILE 85 CO -0.01 -0.49 2.02 -2.11 -1.91 0.00 0.00 174.94 172.44 1nji n ARG 86 N 5.09 0.30 -4.01 3.50 1.85 -0.83 -4.86 116.66 117.70 1nji n ARG 86 Ca -0.12 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.44 1nji n ARG 86 Cb 0.44 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.30 1nji n ARG 86 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1nji s LYS 87 N -2.70 3.10 -0.03 2.89 -0.14 -1.26 -5.10 119.74 116.49 1nji s LYS 87 Ca 0.24 -0.63 0.05 0.00 -1.36 0.00 0.00 55.97 54.27 1nji s LYS 87 Cb 0.20 -2.83 -0.01 0.00 -1.68 0.00 0.00 37.83 33.51 1nji s LYS 87 CO 0.48 0.57 -0.18 -0.06 -0.76 0.00 0.00 175.35 175.40 1nji s PHE 88 N -1.50 1.71 -1.02 3.18 0.40 -1.26 -5.08 117.98 114.42 1nji s PHE 88 Ca 0.32 -0.44 -0.24 0.00 -0.60 0.00 0.00 56.93 55.97 1nji s PHE 88 Cb -0.12 -1.14 -0.05 0.00 0.51 0.00 0.00 43.02 42.22 1nji s PHE 88 CO 0.24 -0.12 1.91 -1.25 0.70 0.00 0.00 175.22 176.70 1nji s PRO 89 N -0.12 2.64 -0.01 0.24 0.04 -1.26 -4.59 135.00 131.94 1nji s PRO 89 Ca -0.00 -0.68 0.11 0.00 0.04 0.00 0.00 61.00 60.46 1nji s PRO 89 Cb -0.10 -5.16 -0.23 0.00 0.04 0.00 0.00 34.50 29.06 1nji s PRO 89 CO 0.01 -3.48 0.80 0.74 0.04 0.00 0.00 177.00 175.11 1nji h PHE 90 N 10.56 0.01 -3.04 0.56 -1.00 -1.82 -3.39 116.94 118.83 1nji h PHE 90 Ca 0.15 -0.01 -0.57 0.00 2.81 0.00 0.00 57.97 60.36 1nji h PHE 90 Cb 0.98 -0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.50 1nji h PHE 90 CO 1.23 1.01 1.04 -1.58 -1.61 0.00 0.00 178.31 178.40 1nji s HIS 91 N -2.62 2.44 0.12 -0.55 2.46 -0.59 -4.54 115.29 112.01 1nji s HIS 91 Ca -0.04 0.73 -0.30 0.00 0.47 0.00 0.00 55.06 55.93 1nji s HIS 91 Cb 0.08 -4.00 -0.06 0.00 -0.13 0.00 0.00 32.58 28.47 1nji s HIS 91 CO 0.82 -2.16 1.10 0.08 -2.47 0.00 0.00 174.74 172.12 1nji s VAL 92 N 4.87 4.08 -0.03 0.89 1.01 -0.21 -1.07 120.40 129.94 1nji s VAL 92 Ca 0.62 1.65 0.05 0.00 0.00 0.00 0.00 61.98 64.31 1nji s VAL 92 Cb -0.19 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.11 1nji s VAL 92 CO 0.27 0.22 -0.18 0.27 0.00 0.00 0.00 175.10 175.68 1nji s ILE 93 N 0.31 2.75 0.47 2.22 -4.36 0.13 -4.79 121.20 117.93 1nji s ILE 93 Ca 0.52 -0.87 0.06 0.00 -0.26 0.00 0.00 60.65 60.10 1nji s ILE 93 Cb -0.28 -2.05 -0.01 0.00 1.25 0.00 0.00 42.46 41.36 1nji s ILE 93 CO 0.32 0.57 0.27 -0.13 0.24 0.00 0.00 174.94 176.20 1nji s ARG 94 N -0.76 2.28 -0.19 0.37 0.52 -1.26 -1.04 118.95 118.87 1nji s ARG 94 Ca 0.11 -1.91 -0.10 0.00 -0.52 0.00 0.00 55.73 53.31 1nji s ARG 94 Cb -0.10 -2.04 0.06 0.00 0.52 0.00 0.00 34.95 33.39 1nji s ARG 94 CO 0.00 -0.32 0.45 -2.00 0.02 0.00 0.00 175.30 173.46 1nji s GLU 95 N -4.06 0.44 -1.26 3.54 2.12 -1.05 -4.86 118.70 113.56 1nji s GLU 95 Ca 0.36 0.85 -0.16 0.00 0.36 0.00 0.00 54.97 56.38 1nji s GLU 95 Cb 0.01 0.00 0.11 0.00 0.26 0.00 0.00 34.13 34.51 1nji s GLU 95 CO 0.21 -0.16 1.62 1.21 -0.54 0.00 0.00 175.26 177.60 1nji s ASN 96 N 1.41 6.94 -1.01 -1.70 2.47 -1.26 -2.07 114.94 119.72 1nji s ASN 96 Ca -0.09 -2.68 -0.04 0.00 0.42 0.00 0.00 52.86 50.47 1nji s ASN 96 Cb -0.08 -2.51 0.28 0.00 -1.45 0.00 0.00 41.25 37.50 1nji s ASN 96 CO -0.14 -0.99 1.22 2.29 -3.72 0.00 0.00 177.10 175.76 1nji n LYS 97 N 7.27 3.80 0.00 0.43 2.85 -1.26 -5.04 118.16 126.21 1nji n LYS 97 Ca 0.44 -4.54 0.00 0.00 -1.05 0.00 0.00 58.31 53.16 1nji n LYS 97 Cb 0.45 -2.47 0.00 0.00 -0.65 0.00 0.00 35.03 32.35 1nji n LYS 97 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1nji n ASP 109 N 1.68 -0.85 0.00 -5.58 -0.08 -1.26 -4.95 116.55 105.51 1nji n ASP 109 Ca 0.26 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.54 1nji n ASP 109 Cb 0.36 0.52 0.00 0.00 2.34 0.00 0.00 41.12 44.34 1nji n ASP 109 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1nji n GLY 110 N 0.92 0.30 0.92 0.27 0.00 -1.26 -4.91 105.19 101.43 1nji n GLY 110 Ca 0.00 0.32 0.11 0.00 0.00 0.00 0.00 46.02 46.46 1nji n GLY 110 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1nji n MET 111 N 0.00 2.21 -2.88 1.61 2.81 -1.26 -4.72 117.12 114.89 1nji n MET 111 Ca 0.00 -1.83 -0.40 0.00 -1.81 0.00 0.00 57.70 53.66 1nji n MET 111 Cb 0.00 -1.47 -0.05 0.00 -0.71 0.00 0.00 33.22 30.99 1nji n MET 111 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1nji s ARG 112 N -1.64 4.59 -1.34 0.03 3.52 -1.26 -3.88 118.95 118.97 1nji s ARG 112 Ca 0.36 1.23 -0.13 0.00 -0.13 0.00 0.00 55.73 57.05 1nji s ARG 112 Cb 0.21 -3.36 0.01 0.00 -1.56 0.00 0.00 34.95 30.25 1nji s ARG 112 CO 0.30 0.28 0.45 0.00 -0.81 0.00 0.00 175.30 175.52 1nji n ALA 113 N 2.68 -2.27 1.60 6.12 0.00 -1.26 -4.86 120.51 122.51 1nji n ALA 113 Ca -0.01 -0.38 0.15 0.00 0.00 0.00 0.00 53.44 53.20 1nji n ALA 113 Cb 0.50 -2.11 0.76 0.00 0.00 0.00 0.00 19.45 18.60 1nji n ALA 113 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1nji n PRO 114 N -4.58 0.74 -1.63 0.00 -0.04 -1.25 -4.87 135.00 123.37 1nji n PRO 114 Ca -0.22 -0.12 -0.53 0.00 -0.04 0.00 0.00 63.50 62.59 1nji n PRO 114 Cb 0.64 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.54 1nji n PRO 114 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1nji n PHE 115 N -1.03 2.02 -0.86 0.54 7.35 -1.26 -4.55 117.46 119.68 1nji n PHE 115 Ca 0.17 0.30 -0.29 0.00 -0.76 0.00 0.00 57.45 56.87 1nji n PHE 115 Cb 0.22 -2.54 0.24 0.00 0.35 0.00 0.00 39.48 37.74 1nji n PHE 115 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1nji s GLY 116 N 4.77 1.53 -0.00 7.13 0.00 -1.26 -4.89 107.32 114.60 1nji s GLY 116 Ca 1.00 -0.60 0.01 0.00 0.00 0.00 0.00 44.72 45.14 1nji s GLY 116 CO 0.57 0.21 0.00 -1.59 0.00 0.00 0.00 173.10 172.29 1nji s LYS 117 N -5.01 2.79 0.11 2.90 -2.85 -0.88 -4.70 119.74 112.10 1nji s LYS 117 Ca 0.68 -0.61 -0.35 0.00 -1.00 0.00 0.00 55.97 54.70 1nji s LYS 117 Cb -0.16 -2.67 -0.14 0.00 -2.06 0.00 0.00 37.83 32.79 1nji s LYS 117 CO 0.59 0.62 1.54 -2.30 0.10 0.00 0.00 175.35 175.90 1nji n PRO 118 N 1.39 1.87 0.00 1.78 -0.02 -1.26 -2.54 135.00 136.22 1nji n PRO 118 Ca -0.14 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1nji n PRO 118 Cb 0.53 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1nji n PRO 118 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1nji n VAL 119 N 3.34 0.00 -2.67 -1.45 0.24 -0.21 -4.87 118.33 112.71 1nji n VAL 119 Ca 0.18 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1nji n VAL 119 Cb 0.26 0.86 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 1nji n VAL 119 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nji n GLY 120 N 0.82 -1.28 3.16 7.63 0.00 -1.03 -4.84 105.19 109.64 1nji n GLY 120 Ca 0.00 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 1nji n GLY 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nji s THR 121 N -2.84 0.73 0.14 2.61 -4.23 -1.26 0.21 115.64 111.00 1nji s THR 121 Ca 0.00 -1.76 -0.11 0.00 -1.18 0.00 0.00 61.69 58.64 1nji s THR 121 Cb 0.00 -1.47 0.00 0.00 1.34 0.00 0.00 72.50 72.37 1nji s THR 121 CO 0.00 -0.74 0.30 0.00 -0.54 0.00 0.00 174.62 173.64 1nji s ALA 122 N -3.08 -0.29 -0.13 3.99 0.00 -0.23 -1.88 121.76 120.15 1nji s ALA 122 Ca 0.08 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.39 1nji s ALA 122 Cb 0.02 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 1nji s ALA 122 CO -0.03 -0.63 -0.10 0.00 0.00 0.00 0.00 175.76 175.00 1nji s ALA 123 N -3.91 2.74 -0.22 0.00 0.00 0.19 -1.53 121.76 119.02 1nji s ALA 123 Ca 0.11 -0.87 -0.22 0.00 0.00 0.00 0.00 51.96 50.98 1nji s ALA 123 Cb 0.03 -1.29 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 1nji s ALA 123 CO -0.05 0.27 0.70 1.03 0.00 0.00 0.00 175.76 177.71 1nji s ARG 124 N 0.25 4.18 -0.07 0.00 0.52 -1.26 -0.15 118.95 122.42 1nji s ARG 124 Ca -0.07 0.71 0.05 0.00 -0.52 0.00 0.00 55.73 55.90 1nji s ARG 124 Cb -0.15 -3.62 -0.01 0.00 0.52 0.00 0.00 34.95 31.70 1nji s ARG 124 CO 0.05 -0.37 -0.23 0.08 0.02 0.00 0.00 175.30 174.84 1nji s VAL 125 N 2.35 1.90 0.07 3.52 1.01 0.06 -4.99 120.40 124.32 1nji s VAL 125 Ca 0.30 -0.97 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 1nji s VAL 125 Cb -0.16 -1.63 -0.06 0.00 0.00 0.00 0.00 36.38 34.54 1nji s VAL 125 CO 0.09 0.53 0.37 -1.00 0.00 0.00 0.00 175.10 175.09 1nji s HIS 126 N 0.04 3.57 0.12 5.22 3.76 -1.26 -1.10 115.29 125.64 1nji s HIS 126 Ca -0.08 0.72 -0.35 0.00 -0.15 0.00 0.00 55.06 55.20 1nji s HIS 126 Cb -0.15 -2.11 -0.17 0.00 1.11 0.00 0.00 32.58 31.27 1nji s HIS 126 CO 0.05 0.53 1.20 0.41 -0.85 0.00 0.00 174.74 176.08 1nji n GLY 127 N 0.89 0.11 1.48 -2.22 0.00 -1.26 -1.58 105.19 102.62 1nji n GLY 127 Ca -0.08 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1nji n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nji n ALA 128 N 1.83 0.00 -2.12 4.61 0.00 0.53 -4.85 120.51 120.52 1nji n ALA 128 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.31 1nji n ALA 128 Cb 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.64 1nji n ALA 128 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1nji s ASN 129 N -3.00 6.46 -0.22 0.00 0.02 -0.61 -4.82 114.94 112.77 1nji s ASN 129 Ca 0.00 1.19 -0.09 0.00 -1.02 0.00 0.00 52.86 52.94 1nji s ASN 129 Cb 0.00 -2.35 -0.04 0.00 0.02 0.00 0.00 41.25 38.87 1nji s ASN 129 CO 0.00 -0.51 0.11 -1.38 0.02 0.00 0.00 177.10 175.34 1nji s HIS 130 N -2.56 3.26 -0.05 2.20 -3.43 -1.26 -1.47 115.29 111.99 1nji s HIS 130 Ca 0.52 0.08 0.13 0.00 -0.80 0.00 0.00 55.06 55.00 1nji s HIS 130 Cb -0.10 -2.19 -0.20 0.00 -1.43 0.00 0.00 32.58 28.66 1nji s HIS 130 CO 0.36 0.04 0.79 0.97 -2.00 0.00 0.00 174.74 174.90 1nji h ILE 131 N 5.03 0.84 -3.92 -5.38 2.10 -1.50 -3.44 117.51 111.23 1nji h ILE 131 Ca -0.38 -2.57 -0.48 0.00 1.08 0.00 0.00 64.86 62.51 1nji h ILE 131 Cb 1.17 2.36 -0.21 0.00 -1.09 0.00 0.00 36.82 39.04 1nji h ILE 131 CO 0.66 0.48 -0.80 -0.36 -1.08 0.00 0.00 178.15 177.05 1nji s PHE 132 N -2.70 1.47 -0.14 2.19 0.40 -1.21 -1.96 117.98 116.03 1nji s PHE 132 Ca -0.03 -0.44 -0.06 0.00 -0.60 0.00 0.00 56.93 55.80 1nji s PHE 132 Cb 0.08 -0.82 0.06 0.00 0.51 0.00 0.00 43.02 42.86 1nji s PHE 132 CO 0.82 0.13 0.29 0.42 0.70 0.00 0.00 175.22 177.58 1nji s ILE 133 N -1.25 -0.32 0.24 0.64 -1.09 0.32 -1.32 121.20 118.42 1nji s ILE 133 Ca 0.02 0.22 0.10 0.00 -2.23 0.00 0.00 60.65 58.76 1nji s ILE 133 Cb -0.10 -0.47 -0.04 0.00 -1.58 0.00 0.00 42.46 40.26 1nji s ILE 133 CO 0.03 0.09 -0.09 0.00 -1.23 0.00 0.00 174.94 173.75 1nji s ALA 134 N 2.08 2.98 -0.12 9.38 0.00 -0.01 -0.07 121.76 135.99 1nji s ALA 134 Ca -0.03 -1.66 -0.01 0.00 0.00 0.00 0.00 51.96 50.27 1nji s ALA 134 Cb -0.11 -0.62 0.03 0.00 0.00 0.00 0.00 23.12 22.42 1nji s ALA 134 CO -0.09 0.33 -0.03 -1.58 0.00 0.00 0.00 175.76 174.39 1nji s TRP 135 N -2.17 1.20 0.08 0.00 0.51 -0.13 -2.62 118.94 115.81 1nji s TRP 135 Ca 0.29 -0.65 0.01 0.00 -2.12 0.00 0.00 56.10 53.63 1nji s TRP 135 Cb -0.07 -1.08 -0.04 0.00 -0.81 0.00 0.00 33.47 31.47 1nji s TRP 135 CO 0.17 -0.49 -0.06 0.54 -0.51 0.00 0.00 176.95 176.60 1nji s VAL 136 N 1.80 0.57 0.53 4.03 0.11 -0.49 -2.54 120.40 124.42 1nji s VAL 136 Ca 0.03 -1.79 -0.04 0.00 -2.93 0.00 0.00 61.98 57.25 1nji s VAL 136 Cb -0.14 -1.50 -0.00 0.00 -1.53 0.00 0.00 36.38 33.21 1nji s VAL 136 CO -0.07 -0.84 0.82 0.20 -3.33 0.00 0.00 175.10 171.88 1nji s ASN 137 N -2.82 5.77 -0.77 3.54 0.01 -1.26 -1.03 114.94 118.38 1nji s ASN 137 Ca 0.08 0.63 -0.15 0.00 -0.71 0.00 0.00 52.86 52.71 1nji s ASN 137 Cb 0.04 -1.75 -0.21 0.00 0.41 0.00 0.00 41.25 39.74 1nji s ASN 137 CO -0.05 -0.88 2.01 -2.65 -1.51 0.00 0.00 177.10 174.02 1nji n PRO 138 N -2.39 0.17 -2.68 -0.60 -0.02 -1.26 -4.19 135.00 124.03 1nji n PRO 138 Ca 0.03 -0.47 -0.05 0.00 -2.02 0.00 0.00 63.50 60.99 1nji n PRO 138 Cb 0.57 -2.16 0.07 0.00 -0.02 0.00 0.00 33.50 31.96 1nji n PRO 138 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1nji n ASP 139 N 11.04 -1.56 -4.32 2.55 2.03 -1.26 -5.09 116.55 119.94 1nji n ASP 139 Ca 0.46 -2.24 -0.29 0.00 0.52 0.00 0.00 54.79 53.24 1nji n ASP 139 Cb 0.33 1.19 -0.08 0.00 -0.72 0.00 0.00 41.12 41.85 1nji n ASP 139 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1nji n PRO 140 N -0.17 1.13 0.03 -0.67 -0.02 -1.26 -4.32 135.00 129.71 1nji n PRO 140 Ca -0.11 -2.08 0.11 0.00 -2.02 0.00 0.00 63.50 59.41 1nji n PRO 140 Cb 0.73 -3.54 -0.03 0.00 -0.02 0.00 0.00 33.50 30.64 1nji n PRO 140 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1nji n ASN 141 N 13.97 0.55 -0.04 2.55 3.02 -1.26 -3.89 115.26 130.16 1nji n ASN 141 Ca 0.45 -0.17 -0.02 0.00 -0.03 0.00 0.00 54.58 54.82 1nji n ASN 141 Cb 0.45 1.02 0.24 0.00 -0.61 0.00 0.00 39.78 40.89 1nji n ASN 141 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1nji h VAL 142 N 0.00 1.22 -0.04 2.41 3.04 -1.99 -1.13 116.25 119.76 1nji h VAL 142 Ca 0.00 -0.86 0.01 0.00 -1.01 0.00 0.00 66.70 64.84 1nji h VAL 142 Cb 0.80 0.91 -0.00 0.00 -2.01 0.00 0.00 31.29 30.99 1nji h VAL 142 CO 0.00 0.30 0.03 -0.33 -1.01 0.00 0.00 177.57 176.56 1nji h GLU 143 N 0.60 0.00 0.11 4.17 5.08 -1.93 -0.60 114.58 122.00 1nji h GLU 143 Ca 0.12 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.20 1nji h GLU 143 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1nji h GLU 143 CO 0.01 0.00 -1.40 1.49 -1.00 0.00 0.00 179.01 178.11 1nji h GLU 144 N 0.00 0.23 0.00 2.33 4.57 -1.47 -3.04 114.58 117.19 1nji h GLU 144 Ca 0.02 -0.39 -0.01 0.00 -1.18 0.00 0.00 59.36 57.80 1nji h GLU 144 Cb 0.07 0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1nji h GLU 144 CO -0.00 1.11 -0.05 0.00 -1.18 0.00 0.00 179.01 178.89 1nji h ALA 145 N 0.58 1.56 0.00 2.92 0.00 -0.19 -2.25 119.26 121.89 1nji h ALA 145 Ca -0.19 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.47 1nji h ALA 145 Cb 1.98 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.73 1nji h ALA 145 CO 0.17 0.07 -1.42 -1.49 0.00 0.00 0.00 179.25 176.57 1nji h TRP 146 N 0.00 0.00 -0.18 0.00 6.55 -1.37 -2.62 115.95 118.34 1nji h TRP 146 Ca -0.00 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.83 1nji h TRP 146 Cb 0.12 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.41 1nji h TRP 146 CO 0.00 0.72 0.08 -0.09 -1.05 0.00 0.00 178.44 178.10 1nji h ARG 147 N 0.00 0.24 0.01 0.49 2.43 -1.29 -0.03 114.38 116.24 1nji h ARG 147 Ca -0.18 -0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 58.74 1nji h ARG 147 Cb 1.71 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 31.18 1nji h ARG 147 CO 0.06 0.20 -1.08 0.00 -1.51 0.00 0.00 179.97 177.64 1nji h ARG 148 N 0.24 0.03 -0.04 0.20 3.08 -1.53 -3.32 114.38 113.03 1nji h ARG 148 Ca 0.06 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1nji h ARG 148 Cb 0.04 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1nji h ARG 148 CO -0.01 0.99 -0.09 0.00 -1.07 0.00 0.00 179.97 179.80 1nji h ALA 149 N 0.95 0.07 0.00 0.04 0.00 -0.65 -3.04 119.26 116.62 1nji h ALA 149 Ca -0.04 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1nji h ALA 149 Cb 1.81 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1nji h ALA 149 CO 0.13 -0.07 0.00 0.36 0.00 0.00 0.00 179.25 179.67 1nji n LYS 150 N -4.69 0.61 0.08 0.00 0.00 -0.51 -1.46 118.16 112.19 1nji n LYS 150 Ca -0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.21 1nji n LYS 150 Cb 0.34 -1.29 -0.06 0.00 -0.00 0.00 0.00 35.03 34.02 1nji n LYS 150 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 1nji h MET 151 N 0.00 0.00 -0.30 -1.58 4.05 -1.63 -3.33 114.93 112.14 1nji h MET 151 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1nji h MET 151 Cb 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1nji h MET 151 CO 0.00 0.63 0.00 1.63 0.23 0.00 0.00 176.91 179.40 1nji n LYS 152 N -3.19 2.96 -4.40 0.39 5.02 -0.53 -4.95 118.16 113.45 1nji n LYS 152 Ca -0.03 -2.58 -0.25 0.00 -2.02 0.00 0.00 58.31 53.44 1nji n LYS 152 Cb 0.86 -1.66 -0.13 0.00 -0.02 0.00 0.00 35.03 34.08 1nji n LYS 152 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1nji s VAL 153 N -2.18 1.74 0.11 -0.18 -7.23 -1.24 -4.67 120.40 106.74 1nji s VAL 153 Ca 0.36 -1.45 -0.32 0.00 -1.81 0.00 0.00 61.98 58.76 1nji s VAL 153 Cb 0.27 -1.55 -0.12 0.00 0.56 0.00 0.00 36.38 35.53 1nji s VAL 153 CO 0.12 0.03 1.52 0.74 -0.31 0.00 0.00 175.10 177.19 1nji h THR 154 N 4.15 0.00 -4.07 5.32 2.02 -1.92 -3.45 112.91 114.95 1nji h THR 154 Ca -0.45 0.00 -0.49 0.00 0.77 0.00 0.00 66.41 66.23 1nji h THR 154 Cb 1.17 0.00 0.17 0.00 -1.74 0.00 0.00 68.15 67.75 1nji h THR 154 CO 0.41 0.00 0.22 -2.16 0.37 0.00 0.00 175.52 174.36 1nji s PRO 155 N -5.53 1.09 0.44 6.66 0.04 -1.26 -5.03 135.00 131.41 1nji s PRO 155 Ca -0.14 1.11 -0.20 0.00 0.04 0.00 0.00 61.00 61.81 1nji s PRO 155 Cb 0.07 -1.77 -0.10 0.00 0.04 0.00 0.00 34.50 32.74 1nji s PRO 155 CO 0.57 -2.44 0.94 0.99 0.04 0.00 0.00 177.00 177.11 1nji s THR 156 N -2.78 4.44 0.14 1.26 2.01 -1.26 -4.94 115.64 114.51 1nji s THR 156 Ca 0.65 1.40 0.02 0.00 0.31 0.00 0.00 61.69 64.06 1nji s THR 156 Cb -0.20 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 1nji s THR 156 CO 0.58 -0.38 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.48 1nji s ILE 157 N -2.25 0.65 -0.16 1.82 1.01 -1.26 -2.46 121.20 118.54 1nji s ILE 157 Ca 0.61 -1.96 -0.01 0.00 0.00 0.00 0.00 60.65 59.29 1nji s ILE 157 Cb -0.09 -1.93 -0.00 0.00 0.01 0.00 0.00 42.46 40.44 1nji s ILE 157 CO 0.17 -0.64 -0.13 0.21 0.00 0.00 0.00 174.94 174.55 1nji s ASN 158 N -3.11 3.82 -0.42 3.58 3.84 -0.34 -4.97 114.94 117.34 1nji s ASN 158 Ca 0.19 -0.44 -0.19 0.00 0.21 0.00 0.00 52.86 52.63 1nji s ASN 158 Cb 0.06 -1.60 0.02 0.00 -0.55 0.00 0.00 41.25 39.18 1nji s ASN 158 CO 0.00 0.08 0.54 -0.63 -2.79 0.00 0.00 177.10 174.29 1nji s ILE 159 N 0.87 4.97 -0.11 -5.21 1.01 -1.26 -0.23 121.20 121.24 1nji s ILE 159 Ca -0.04 -0.06 -0.00 0.00 0.00 0.00 0.00 60.65 60.56 1nji s ILE 159 Cb -0.15 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 38.20 1nji s ILE 159 CO -0.00 -0.47 -0.10 -0.62 0.00 0.00 0.00 174.94 173.74 1nji s ASP 160 N 1.89 4.29 -0.12 3.58 -1.08 0.75 -4.95 116.67 121.03 1nji s ASP 160 Ca 0.17 -0.21 -0.04 0.00 -0.52 0.00 0.00 52.55 51.96 1nji s ASP 160 Cb -0.16 -1.43 -0.03 0.00 -1.46 0.00 0.00 42.92 39.84 1nji s ASP 160 CO 0.16 0.24 0.02 -0.55 0.52 0.00 0.00 175.17 175.55 1nji s SER 161 N -0.06 5.35 0.00 -0.34 0.15 -1.26 0.17 113.70 117.71 1nji s SER 161 Ca -0.01 0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.75 1nji s SER 161 Cb -0.14 -1.67 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 1nji s SER 161 CO 0.03 0.31 0.00 -1.20 1.20 0.00 0.00 173.24 173.58 1nji n SER 162 N 2.63 0.00 -4.56 5.45 7.64 0.24 -4.86 113.62 120.15 1nji n SER 162 Ca -0.18 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.31 1nji n SER 162 Cb 0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 1nji n SER 162 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1nji s PRO 163 N 0.26 2.72 0.00 1.43 0.02 -1.26 -4.68 135.00 133.49 1nji s PRO 163 Ca 0.00 0.72 0.00 0.00 0.02 0.00 0.00 61.00 61.74 1nji s PRO 163 Cb 0.00 -4.36 0.00 0.00 0.02 0.00 0.00 34.50 30.16 1nji s PRO 163 CO 0.00 -2.61 0.00 0.00 -0.33 0.00 0.00 177.00 174.06 1nji n ALA 164 N 12.43 0.00 -0.71 -1.55 0.00 -1.26 -2.67 120.51 126.75 1nji n ALA 164 Ca 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.58 1nji n ALA 164 Cb 0.51 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.21 1nji n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nji n GLY 165 N 0.00 3.38 2.69 0.00 0.00 -1.26 -4.54 105.19 105.46 1nji n GLY 165 Ca 0.00 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 1nji n GLY 165 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nji n ASN 166 N -0.15 7.44 -0.65 1.61 5.03 -1.26 -5.28 115.26 122.01 1nji n ASN 166 Ca 0.36 -3.63 0.13 0.00 0.87 0.00 0.00 54.58 52.31 1nji n ASN 166 Cb 1.25 -1.17 0.37 0.00 -1.02 0.00 0.00 39.78 39.22 1nji n ASN 166 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43