#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ja9 n LYS 25 N 0.00 2.03 0.29 1.43 4.01 -1.26 -4.51 118.16 120.14 1ja9 n LYS 25 Ca 0.00 -4.13 0.15 0.00 -0.51 0.00 0.00 58.31 53.82 1ja9 n LYS 25 Cb 0.00 -1.92 0.90 0.00 -0.51 0.00 0.00 35.03 33.50 1ja9 n LYS 25 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 1ja9 h PRO 26 N 3.41 0.00 -0.65 1.97 0.13 -1.93 -2.27 132.00 132.67 1ja9 h PRO 26 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1ja9 h PRO 26 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1ja9 h PRO 26 CO 0.67 0.03 0.00 1.28 -0.23 0.00 0.00 178.00 179.75 1ja9 n LEU 27 N -3.74 4.92 -4.66 1.56 4.77 -0.05 -4.93 117.00 114.86 1ja9 n LEU 27 Ca -0.03 -2.49 -0.45 0.00 -0.03 0.00 0.00 56.01 53.02 1ja9 n LEU 27 Cb 0.12 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.58 1ja9 n LEU 27 CO 0.27 0.78 0.99 0.00 -1.33 0.00 0.00 177.39 178.10 1ja9 n ALA 28 N 1.07 0.98 -0.59 -1.18 0.00 -0.85 -1.69 120.51 118.25 1ja9 n ALA 28 Ca 0.26 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.11 1ja9 n ALA 28 Cb 0.94 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1ja9 n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ja9 n GLY 29 N 2.08 1.46 3.93 0.00 0.00 -1.25 -4.95 105.19 106.46 1ja9 n GLY 29 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 1ja9 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ja9 s LYS 30 N -0.13 3.52 -0.11 1.61 -0.14 -0.68 -4.99 119.74 118.82 1ja9 s LYS 30 Ca 0.00 -0.30 0.04 0.00 -1.36 0.00 0.00 55.97 54.34 1ja9 s LYS 30 Cb 0.00 -2.73 0.00 0.00 -1.68 0.00 0.00 37.83 33.43 1ja9 s LYS 30 CO 0.00 0.26 -0.23 0.08 -0.76 0.00 0.00 175.35 174.70 1ja9 s VAL 31 N -2.12 2.00 0.08 3.17 1.01 -1.26 -1.41 120.40 121.88 1ja9 s VAL 31 Ca 0.40 -0.98 0.09 0.00 0.00 0.00 0.00 61.98 61.49 1ja9 s VAL 31 Cb -0.10 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1ja9 s VAL 31 CO 0.32 0.55 -0.21 0.00 0.00 0.00 0.00 175.10 175.76 1ja9 s ALA 32 N 0.48 2.55 -0.09 5.51 0.00 0.03 -0.54 121.76 129.69 1ja9 s ALA 32 Ca -0.16 -1.31 0.02 0.00 0.00 0.00 0.00 51.96 50.52 1ja9 s ALA 32 Cb -0.17 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.35 1ja9 s ALA 32 CO 0.06 0.57 -0.16 -1.17 0.00 0.00 0.00 175.76 175.06 1ja9 s LEU 33 N -1.77 1.77 -0.13 0.00 0.20 0.00 -0.10 118.68 118.65 1ja9 s LEU 33 Ca 0.15 -0.42 0.01 0.00 0.69 0.00 0.00 54.13 54.57 1ja9 s LEU 33 Cb -0.10 -1.08 0.02 0.00 -0.43 0.00 0.00 46.19 44.60 1ja9 s LEU 33 CO 0.07 0.05 -0.15 -0.89 -0.29 0.00 0.00 176.35 175.14 1ja9 s THR 34 N 0.76 1.57 0.22 3.68 2.01 -0.69 -0.30 115.64 122.90 1ja9 s THR 34 Ca -0.11 -0.65 -0.30 0.00 0.31 0.00 0.00 61.69 60.94 1ja9 s THR 34 Cb -0.16 -1.46 -0.09 0.00 0.01 0.00 0.00 72.50 70.81 1ja9 s THR 34 CO 0.02 0.46 0.93 0.42 -0.69 0.00 0.00 174.62 175.76 1ja9 s THR 35 N 1.28 4.12 -1.20 -0.82 -4.23 -0.57 -1.79 115.64 112.44 1ja9 s THR 35 Ca 0.00 2.07 -0.03 0.00 -1.18 0.00 0.00 61.69 62.55 1ja9 s THR 35 Cb -0.14 -4.32 0.00 0.00 1.34 0.00 0.00 72.50 69.39 1ja9 s THR 35 CO -0.07 0.49 1.01 0.61 -0.54 0.00 0.00 174.62 176.12 1ja9 n GLY 36 N 1.56 -0.38 0.72 3.99 0.00 -1.07 -3.15 105.19 106.87 1ja9 n GLY 36 Ca -0.02 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1ja9 n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ja9 n ALA 37 N -4.29 2.50 0.24 4.61 0.00 0.00 -3.97 120.51 119.61 1ja9 n ALA 37 Ca -0.18 -0.63 0.12 0.00 0.00 0.00 0.00 53.44 52.75 1ja9 n ALA 37 Cb 0.63 -1.02 0.53 0.00 0.00 0.00 0.00 19.45 19.59 1ja9 n ALA 37 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ja9 h GLY 38 N 4.83 0.00 -1.44 0.00 0.00 -1.88 -3.02 103.07 101.56 1ja9 h GLY 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ja9 h GLY 38 CO 0.00 0.00 0.24 1.09 0.00 0.00 0.00 176.54 177.87 1ja9 s ARG 39 N -3.66 2.07 4.67 4.80 1.70 -1.26 -4.17 118.95 123.10 1ja9 s ARG 39 Ca 0.01 -1.30 0.00 0.00 -0.47 0.00 0.00 55.73 53.97 1ja9 s ARG 39 Cb 0.10 0.61 0.00 0.00 -0.57 0.00 0.00 34.95 35.09 1ja9 s ARG 39 CO 0.61 -0.96 0.00 0.41 -1.08 0.00 0.00 175.30 174.28 1ja9 n GLY 40 N -0.51 1.64 0.35 3.88 0.00 -1.26 -2.48 105.19 106.82 1ja9 n GLY 40 Ca -0.07 -0.56 -0.03 0.00 0.00 0.00 0.00 46.02 45.36 1ja9 n GLY 40 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ja9 h ILE 41 N 0.00 1.24 -0.54 -0.61 2.04 -1.90 -2.33 117.51 115.41 1ja9 h ILE 41 Ca 0.00 -0.45 0.07 0.00 1.00 0.00 0.00 64.86 65.48 1ja9 h ILE 41 Cb 0.00 -0.11 -0.06 0.00 -0.74 0.00 0.00 36.82 35.92 1ja9 h ILE 41 CO 0.00 0.23 0.23 1.23 0.00 0.00 0.00 178.15 179.84 1ja9 h GLY 42 N 1.25 0.74 0.98 5.37 0.00 -1.67 0.64 103.07 110.38 1ja9 h GLY 42 Ca 0.34 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.49 1ja9 h GLY 42 CO -0.07 0.04 0.20 -0.09 0.00 0.00 0.00 176.54 176.62 1ja9 h ARG 43 N 0.43 0.82 -0.54 4.80 2.43 -1.19 -1.02 114.38 120.11 1ja9 h ARG 43 Ca 0.25 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1ja9 h ARG 43 Cb 0.24 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1ja9 h ARG 43 CO -0.23 0.73 0.21 0.78 -1.51 0.00 0.00 179.97 179.95 1ja9 h GLY 44 N 0.73 0.84 0.81 2.80 0.00 -0.77 -0.46 103.07 107.02 1ja9 h GLY 44 Ca 0.18 -0.42 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 1ja9 h GLY 44 CO -0.01 0.40 -0.21 -2.22 0.00 0.00 0.00 176.54 174.50 1ja9 h ILE 45 N 0.77 1.34 -0.51 2.60 2.04 -0.66 -1.58 117.51 121.51 1ja9 h ILE 45 Ca 0.18 -1.39 0.03 0.00 1.00 0.00 0.00 64.86 64.69 1ja9 h ILE 45 Cb 0.17 1.83 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 1ja9 h ILE 45 CO -0.02 0.42 0.29 0.00 0.00 0.00 0.00 178.15 178.84 1ja9 h ALA 46 N 0.62 0.65 -0.44 1.87 0.00 -0.84 -1.00 119.26 120.12 1ja9 h ALA 46 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1ja9 h ALA 46 Cb 0.76 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1ja9 h ALA 46 CO 0.05 -0.03 -0.03 0.82 0.00 0.00 0.00 179.25 180.05 1ja9 h ILE 47 N 0.56 1.27 -0.12 0.00 2.04 -1.05 -1.08 117.51 119.14 1ja9 h ILE 47 Ca 0.21 -1.10 -0.12 0.00 1.00 0.00 0.00 64.86 64.86 1ja9 h ILE 47 Cb 0.07 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1ja9 h ILE 47 CO -0.12 0.38 -0.44 -0.33 0.00 0.00 0.00 178.15 177.64 1ja9 h GLU 48 N 0.63 0.27 -0.27 2.37 4.39 -1.03 0.18 114.58 121.13 1ja9 h GLU 48 Ca 0.12 -0.14 -0.09 0.00 0.34 0.00 0.00 59.36 59.59 1ja9 h GLU 48 Cb 0.54 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1ja9 h GLU 48 CO 0.03 0.67 -0.20 -0.07 -1.16 0.00 0.00 179.01 178.28 1ja9 h LEU 49 N 0.22 0.64 -0.70 1.33 3.38 -1.07 -2.93 115.31 116.18 1ja9 h LEU 49 Ca 0.02 -0.44 -0.09 0.00 0.09 0.00 0.00 57.88 57.45 1ja9 h LEU 49 Cb 0.87 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1ja9 h LEU 49 CO 0.07 0.95 -0.03 1.23 0.09 0.00 0.00 178.44 180.75 1ja9 h GLY 50 N 0.34 1.05 1.59 0.83 0.00 -0.97 -2.01 103.07 103.89 1ja9 h GLY 50 Ca 0.05 -0.77 0.05 0.00 0.00 0.00 0.00 47.33 46.67 1ja9 h GLY 50 CO 0.05 0.71 0.15 -0.09 0.00 0.00 0.00 176.54 177.36 1ja9 h ARG 51 N 0.88 0.00 -0.64 4.80 2.43 -0.57 -1.02 114.38 120.27 1ja9 h ARG 51 Ca 0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1ja9 h ARG 51 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1ja9 h ARG 51 CO 0.03 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 179.03 1ja9 n ARG 52 N -4.28 3.15 0.00 0.20 1.74 -0.81 -4.81 116.66 111.85 1ja9 n ARG 52 Ca 0.02 -2.42 0.00 0.00 -0.77 0.00 0.00 57.85 54.68 1ja9 n ARG 52 Cb 0.28 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 1ja9 n ARG 52 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ja9 n GLY 53 N 1.14 2.49 3.77 -0.13 0.00 -0.39 -0.87 105.19 111.20 1ja9 n GLY 53 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 1ja9 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ja9 s ALA 54 N -2.39 3.16 0.19 4.61 0.00 -0.88 -3.80 121.76 122.65 1ja9 s ALA 54 Ca 0.00 0.81 -0.23 0.00 0.00 0.00 0.00 51.96 52.53 1ja9 s ALA 54 Cb 0.00 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.73 1ja9 s ALA 54 CO 0.00 -0.29 0.76 -1.12 0.00 0.00 0.00 175.76 175.11 1ja9 s SER 55 N -1.32 7.27 -0.05 0.00 0.01 -0.50 -4.14 113.70 114.98 1ja9 s SER 55 Ca 0.55 1.57 0.03 0.00 1.31 0.00 0.00 55.95 59.41 1ja9 s SER 55 Cb -0.26 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.50 1ja9 s SER 55 CO 0.33 0.15 -0.15 -0.69 0.41 0.00 0.00 173.24 173.29 1ja9 s VAL 56 N -1.28 1.29 -0.38 3.43 1.01 0.09 -0.79 120.40 123.78 1ja9 s VAL 56 Ca 0.38 -0.61 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 1ja9 s VAL 56 Cb -0.21 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.04 1ja9 s VAL 56 CO 0.24 0.38 0.58 -0.69 0.00 0.00 0.00 175.10 175.62 1ja9 s VAL 57 N 0.32 4.93 -0.72 2.92 1.01 0.86 -1.79 120.40 127.93 1ja9 s VAL 57 Ca -0.09 0.32 -0.19 0.00 0.00 0.00 0.00 61.98 62.02 1ja9 s VAL 57 Cb -0.13 -4.07 0.12 0.00 0.00 0.00 0.00 36.38 32.30 1ja9 s VAL 57 CO 0.03 -0.36 0.87 -0.69 0.00 0.00 0.00 175.10 174.95 1ja9 s VAL 58 N 2.59 4.81 0.37 2.92 1.01 0.83 -1.70 120.40 131.23 1ja9 s VAL 58 Ca 0.21 -1.23 -0.19 0.00 0.00 0.00 0.00 61.98 60.78 1ja9 s VAL 58 Cb -0.15 -4.60 -0.10 0.00 0.00 0.00 0.00 36.38 31.54 1ja9 s VAL 58 CO 0.15 -1.27 0.86 0.21 0.00 0.00 0.00 175.10 175.05 1ja9 s ASN 59 N 3.46 6.90 0.01 3.32 3.84 -0.74 -1.27 114.94 130.46 1ja9 s ASN 59 Ca 0.20 1.53 -0.12 0.00 0.21 0.00 0.00 52.86 54.67 1ja9 s ASN 59 Cb -0.16 -2.47 0.01 0.00 -0.55 0.00 0.00 41.25 38.08 1ja9 s ASN 59 CO 0.01 -0.27 0.24 -0.72 -2.79 0.00 0.00 177.10 173.57 1ja9 s TYR 60 N -2.05 -0.07 -0.17 0.43 -0.85 -1.06 -0.82 117.35 112.77 1ja9 s TYR 60 Ca 0.58 0.03 -0.15 0.00 -0.52 0.00 0.00 57.07 57.00 1ja9 s TYR 60 Cb -0.10 0.03 -0.11 0.00 0.38 0.00 0.00 41.96 42.16 1ja9 s TYR 60 CO 0.16 -0.38 0.07 0.78 -1.52 0.00 0.00 175.55 174.66 1ja9 h GLY 61 N 3.84 0.00 0.00 5.49 0.00 -1.90 -1.47 103.07 109.03 1ja9 h GLY 61 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1ja9 h GLY 61 CO 0.42 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.82 1ja9 n SER 62 N -4.55 0.00 -3.77 0.19 3.41 -1.26 -4.60 113.62 103.05 1ja9 n SER 62 Ca -0.18 -0.14 -0.42 0.00 -0.26 0.00 0.00 58.87 57.88 1ja9 n SER 62 Cb 0.44 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1ja9 n SER 62 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ja9 n SER 63 N -0.04 5.01 -0.21 4.04 7.64 -1.26 -4.73 113.62 124.07 1ja9 n SER 63 Ca 0.00 -3.00 -0.06 0.00 1.01 0.00 0.00 58.87 56.82 1ja9 n SER 63 Cb 0.03 -1.54 0.03 0.00 -1.01 0.00 0.00 64.21 61.73 1ja9 n SER 63 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1ja9 h SER 64 N 5.72 0.72 -0.41 6.43 4.64 -1.95 -1.96 113.55 126.74 1ja9 h SER 64 Ca 0.49 -0.06 -0.08 0.00 -0.47 0.00 0.00 61.79 61.67 1ja9 h SER 64 Cb 0.60 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1ja9 h SER 64 CO 1.72 0.57 -0.04 0.50 -0.87 0.00 0.00 176.83 178.70 1ja9 h LYS 65 N 0.80 0.83 -0.51 4.77 3.64 -2.00 -1.90 116.57 122.20 1ja9 h LYS 65 Ca 0.21 -0.25 -0.13 0.00 -1.27 0.00 0.00 60.65 59.22 1ja9 h LYS 65 Cb -0.01 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1ja9 h LYS 65 CO -0.04 0.86 -0.18 0.00 -2.27 0.00 0.00 179.45 177.82 1ja9 h ALA 66 N 1.19 0.71 -0.39 5.00 0.00 -1.80 -2.30 119.26 121.66 1ja9 h ALA 66 Ca 0.14 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ja9 h ALA 66 Cb 0.52 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1ja9 h ALA 66 CO 0.03 0.68 0.24 0.00 0.00 0.00 0.00 179.25 180.19 1ja9 h ALA 67 N 0.89 0.50 -0.06 0.00 0.00 -1.06 -0.88 119.26 118.64 1ja9 h ALA 67 Ca 0.12 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1ja9 h ALA 67 Cb 0.76 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1ja9 h ALA 67 CO 0.06 -0.01 -0.21 0.93 0.00 0.00 0.00 179.25 180.02 1ja9 h GLU 68 N 0.52 0.10 -0.76 0.00 4.39 -1.25 -1.20 114.58 116.39 1ja9 h GLU 68 Ca 0.14 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.76 1ja9 h GLU 68 Cb -0.00 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 1ja9 h GLU 68 CO -0.03 0.32 0.27 1.49 -1.16 0.00 0.00 179.01 179.90 1ja9 h GLU 69 N 0.10 1.15 -0.41 2.33 4.81 -0.77 0.39 114.58 122.18 1ja9 h GLU 69 Ca 0.02 -0.23 -0.11 0.00 -0.13 0.00 0.00 59.36 58.91 1ja9 h GLU 69 Cb 0.43 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1ja9 h GLU 69 CO 0.03 0.96 -0.19 0.28 -0.73 0.00 0.00 179.01 179.36 1ja9 h VAL 70 N 1.11 1.28 -0.78 0.32 2.07 -0.07 0.35 116.25 120.52 1ja9 h VAL 70 Ca 0.25 -1.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 1ja9 h VAL 70 Cb 0.26 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1ja9 h VAL 70 CO -0.01 0.45 0.47 0.58 0.02 0.00 0.00 177.57 179.07 1ja9 h VAL 71 N 0.67 1.22 -0.33 2.57 2.07 -0.80 0.13 116.25 121.78 1ja9 h VAL 71 Ca 0.09 -0.48 -0.09 0.00 0.82 0.00 0.00 66.70 67.04 1ja9 h VAL 71 Cb 0.75 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1ja9 h VAL 71 CO 0.06 0.23 -0.14 0.00 0.02 0.00 0.00 177.57 177.73 1ja9 h ALA 72 N 1.44 0.46 -0.75 1.67 0.00 -0.66 -1.54 119.26 119.88 1ja9 h ALA 72 Ca 0.28 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1ja9 h ALA 72 Cb -0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1ja9 h ALA 72 CO -0.05 0.36 0.32 0.93 0.00 0.00 0.00 179.25 180.80 1ja9 h GLU 73 N 0.45 1.09 -0.29 0.00 5.08 -0.27 -2.05 114.58 118.59 1ja9 h GLU 73 Ca 0.08 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1ja9 h GLU 73 Cb 0.67 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1ja9 h GLU 73 CO 0.05 0.87 0.17 -0.07 -1.00 0.00 0.00 179.01 179.02 1ja9 h LEU 74 N 1.07 0.35 -0.83 1.33 3.38 -0.52 -2.57 115.31 117.53 1ja9 h LEU 74 Ca 0.25 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.22 1ja9 h LEU 74 Cb 0.17 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 1ja9 h LEU 74 CO -0.03 0.32 0.50 0.50 0.09 0.00 0.00 178.44 179.82 1ja9 h LYS 75 N 0.36 0.86 0.00 1.13 3.64 -0.90 0.14 116.57 121.79 1ja9 h LYS 75 Ca 0.10 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1ja9 h LYS 75 Cb 0.04 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1ja9 h LYS 75 CO -0.02 0.57 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.43 1ja9 h LYS 76 N 0.89 0.00 -0.10 1.90 3.64 -1.08 1.00 116.57 122.83 1ja9 h LYS 76 Ca 0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1ja9 h LYS 76 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1ja9 h LYS 76 CO -0.19 0.09 0.00 1.28 -2.27 0.00 0.00 179.45 178.35 1ja9 n LEU 77 N -3.67 1.83 0.00 5.20 4.77 0.28 -4.92 117.00 120.48 1ja9 n LEU 77 Ca -0.02 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 1ja9 n LEU 77 Cb 0.20 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1ja9 n LEU 77 CO 0.29 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1ja9 n GLY 78 N 1.20 0.50 3.86 -0.72 0.00 0.35 -4.84 105.19 105.53 1ja9 n GLY 78 Ca 0.18 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 1ja9 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ja9 s ALA 79 N -2.00 3.81 0.12 4.61 0.00 -0.03 -4.97 121.76 123.30 1ja9 s ALA 79 Ca 0.00 -0.97 -0.13 0.00 0.00 0.00 0.00 51.96 50.86 1ja9 s ALA 79 Cb 0.00 -1.64 -0.06 0.00 0.00 0.00 0.00 23.12 21.42 1ja9 s ALA 79 CO 0.00 0.71 0.49 -0.65 0.00 0.00 0.00 175.76 176.32 1ja9 s GLN 80 N -2.67 3.90 0.19 0.00 -1.52 -1.26 -2.93 119.66 115.36 1ja9 s GLN 80 Ca 0.33 0.37 -0.17 0.00 -1.95 0.00 0.00 55.36 53.93 1ja9 s GLN 80 Cb -0.12 -2.95 0.03 0.00 -0.22 0.00 0.00 33.01 29.75 1ja9 s GLN 80 CO 0.26 0.51 0.51 0.20 -0.25 0.00 0.00 175.29 176.51 1ja9 s GLY 81 N -1.75 -0.12 -0.18 3.09 0.00 -1.26 -0.73 107.32 106.38 1ja9 s GLY 81 Ca 0.36 -0.19 -0.12 0.00 0.00 0.00 0.00 44.72 44.77 1ja9 s GLY 81 CO 0.19 -0.26 0.45 0.54 0.00 0.00 0.00 173.10 174.02 1ja9 s VAL 82 N -3.86 -0.01 -0.15 1.40 0.11 -0.74 -4.94 120.40 112.20 1ja9 s VAL 82 Ca 0.08 0.05 -0.20 0.00 -2.93 0.00 0.00 61.98 58.98 1ja9 s VAL 82 Cb -0.01 -0.65 -0.03 0.00 -1.53 0.00 0.00 36.38 34.16 1ja9 s VAL 82 CO -0.04 0.02 0.58 0.00 -3.33 0.00 0.00 175.10 172.33 1ja9 s ALA 83 N 0.98 3.49 -0.10 1.54 0.00 -1.26 -0.12 121.76 126.28 1ja9 s ALA 83 Ca -0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 51.96 51.69 1ja9 s ALA 83 Cb -0.06 -2.85 0.03 0.00 0.00 0.00 0.00 23.12 20.24 1ja9 s ALA 83 CO -0.08 -0.29 -0.02 0.42 0.00 0.00 0.00 175.76 175.79 1ja9 s ILE 84 N 1.29 0.60 0.28 0.00 1.01 -0.40 -4.95 121.20 119.04 1ja9 s ILE 84 Ca 0.29 -0.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.54 1ja9 s ILE 84 Cb -0.16 -0.76 -0.09 0.00 0.01 0.00 0.00 42.46 41.45 1ja9 s ILE 84 CO 0.12 0.23 1.09 -1.58 0.00 0.00 0.00 174.94 174.79 1ja9 s GLN 85 N 1.87 4.63 -0.29 2.79 -0.44 -1.26 -2.57 119.66 124.39 1ja9 s GLN 85 Ca 0.04 1.77 -0.17 0.00 -2.50 0.00 0.00 55.36 54.50 1ja9 s GLN 85 Cb -0.13 -3.16 0.14 0.00 -1.64 0.00 0.00 33.01 28.22 1ja9 s GLN 85 CO -0.06 0.21 0.97 0.00 0.50 0.00 0.00 175.29 176.90 1ja9 s ALA 86 N -1.19 -2.22 -0.57 1.58 0.00 -0.55 -4.86 121.76 113.95 1ja9 s ALA 86 Ca 0.45 2.18 -0.25 0.00 0.00 0.00 0.00 51.96 54.33 1ja9 s ALA 86 Cb -0.31 -1.67 0.04 0.00 0.00 0.00 0.00 23.12 21.18 1ja9 s ALA 86 CO 0.40 -0.33 1.02 0.34 0.00 0.00 0.00 175.76 177.18 1ja9 s ASP 87 N 1.22 6.35 0.61 0.00 -1.08 -1.26 -4.12 116.67 118.39 1ja9 s ASP 87 Ca -0.08 -0.26 0.40 0.00 -0.52 0.00 0.00 52.55 52.09 1ja9 s ASP 87 Cb -0.04 -2.47 1.98 0.00 -1.46 0.00 0.00 42.92 40.94 1ja9 s ASP 87 CO -0.14 -1.32 2.20 0.40 0.52 0.00 0.00 175.17 176.83 1ja9 h ILE 88 N 6.05 0.00 0.00 4.11 1.08 -1.93 -2.00 117.51 124.83 1ja9 h ILE 88 Ca -0.26 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.01 1ja9 h ILE 88 Cb 1.07 1.19 0.00 0.00 -3.07 0.00 0.00 36.82 36.01 1ja9 h ILE 88 CO 1.12 0.00 0.00 -1.54 -0.69 0.00 0.00 178.15 177.04 1ja9 n SER 89 N -3.06 0.00 -4.08 1.72 3.41 -1.26 -4.20 113.62 106.15 1ja9 n SER 89 Ca -0.02 -0.56 -0.32 0.00 -0.26 0.00 0.00 58.87 57.71 1ja9 n SER 89 Cb 0.16 -0.11 -0.15 0.00 -0.26 0.00 0.00 64.21 63.86 1ja9 n SER 89 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1ja9 s LYS 90 N -2.21 2.16 0.31 4.33 1.02 -0.75 -4.74 119.74 119.84 1ja9 s LYS 90 Ca 0.34 -1.42 0.07 0.00 0.02 0.00 0.00 55.97 54.99 1ja9 s LYS 90 Cb 0.18 -2.98 0.81 0.00 -0.52 0.00 0.00 37.83 35.32 1ja9 s LYS 90 CO 0.34 -0.63 1.74 -1.35 -0.92 0.00 0.00 175.35 174.53 1ja9 h PRO 91 N 7.78 0.62 -0.09 -1.68 0.11 -1.84 -0.92 132.00 135.98 1ja9 h PRO 91 Ca -0.17 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.85 1ja9 h PRO 91 Cb 1.04 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1ja9 h PRO 91 CO 0.48 0.41 -0.17 0.66 -0.21 0.00 0.00 178.00 179.17 1ja9 h SER 92 N 0.64 0.14 1.03 -2.05 4.64 -1.95 -1.37 113.55 114.63 1ja9 h SER 92 Ca 0.61 -0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 61.78 1ja9 h SER 92 Cb 1.07 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.11 1ja9 h SER 92 CO -0.44 0.32 -0.56 -0.33 -0.87 0.00 0.00 176.83 174.95 1ja9 h GLU 93 N 0.14 0.00 -0.29 4.77 5.08 -1.44 -1.76 114.58 121.08 1ja9 h GLU 93 Ca 0.03 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.22 1ja9 h GLU 93 Cb 0.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1ja9 h GLU 93 CO 0.02 0.56 -0.47 0.28 -1.00 0.00 0.00 179.01 178.40 1ja9 h VAL 94 N 0.00 1.28 -0.62 3.13 2.07 -0.90 -0.14 116.25 121.08 1ja9 h VAL 94 Ca -0.01 -1.66 -0.04 0.00 0.82 0.00 0.00 66.70 65.82 1ja9 h VAL 94 Cb 1.23 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.59 1ja9 h VAL 94 CO 0.07 0.54 0.23 0.58 0.02 0.00 0.00 177.57 179.02 1ja9 h VAL 95 N 0.60 1.23 -0.48 2.57 2.07 -1.20 -2.15 116.25 118.89 1ja9 h VAL 95 Ca 0.02 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 1ja9 h VAL 95 Cb 1.07 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1ja9 h VAL 95 CO 0.11 0.29 0.21 0.00 0.02 0.00 0.00 177.57 178.20 1ja9 h ALA 96 N 1.09 0.63 -0.44 1.67 0.00 -1.21 -1.62 119.26 119.38 1ja9 h ALA 96 Ca 0.20 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.06 1ja9 h ALA 96 Cb 0.22 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 1ja9 h ALA 96 CO -0.01 0.21 0.04 1.25 0.00 0.00 0.00 179.25 180.74 1ja9 h LEU 97 N 0.64 -0.10 -0.58 0.00 5.85 -0.70 -1.23 115.31 119.19 1ja9 h LEU 97 Ca 0.16 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.89 1ja9 h LEU 97 Cb 0.16 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1ja9 h LEU 97 CO -0.02 -0.02 0.02 -0.26 -0.34 0.00 0.00 178.44 177.83 1ja9 h PHE 98 N 0.16 1.09 -0.64 1.25 -1.00 -1.09 -0.12 116.94 116.59 1ja9 h PHE 98 Ca 0.22 -0.18 0.03 0.00 2.81 0.00 0.00 57.97 60.85 1ja9 h PHE 98 Cb 0.30 -0.29 -0.04 0.00 3.61 0.00 0.00 35.95 39.53 1ja9 h PHE 98 CO -0.25 0.97 0.39 -0.44 -1.61 0.00 0.00 178.31 177.37 1ja9 h ASP 99 N 0.90 0.63 -0.35 2.17 3.32 -0.87 -0.46 116.42 121.75 1ja9 h ASP 99 Ca 0.17 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.13 1ja9 h ASP 99 Cb 0.52 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1ja9 h ASP 99 CO 0.03 0.43 -0.13 0.11 -1.72 0.00 0.00 179.24 177.95 1ja9 h LYS 100 N 0.76 0.70 -0.44 3.56 1.57 -1.07 -0.48 116.57 121.18 1ja9 h LYS 100 Ca 0.26 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1ja9 h LYS 100 Cb 0.05 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1ja9 h LYS 100 CO -0.12 0.89 0.29 0.00 -0.57 0.00 0.00 179.45 179.94 1ja9 h ALA 101 N 0.80 0.56 -0.43 3.86 0.00 -0.64 0.40 119.26 123.81 1ja9 h ALA 101 Ca 0.08 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1ja9 h ALA 101 Cb 0.66 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1ja9 h ALA 101 CO 0.04 0.01 -0.09 0.28 0.00 0.00 0.00 179.25 179.49 1ja9 h VAL 102 N 0.59 1.25 -0.40 0.00 2.07 -1.03 -0.97 116.25 117.77 1ja9 h VAL 102 Ca 0.16 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.51 1ja9 h VAL 102 Cb -0.06 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1ja9 h VAL 102 CO -0.04 0.38 -0.00 -1.28 0.02 0.00 0.00 177.57 176.65 1ja9 h SER 103 N 0.68 0.60 0.17 0.57 0.87 -0.54 0.28 113.55 116.18 1ja9 h SER 103 Ca 0.12 -0.13 -0.24 0.00 -1.23 0.00 0.00 61.79 60.32 1ja9 h SER 103 Cb 0.55 -0.16 0.03 0.00 -0.44 0.00 0.00 62.40 62.37 1ja9 h SER 103 CO 0.03 0.67 -1.03 -0.74 -0.53 0.00 0.00 176.83 175.23 1ja9 h HIS 104 N 0.60 0.70 -0.01 2.24 6.17 -0.41 -3.38 115.15 121.06 1ja9 h HIS 104 Ca 0.12 -0.51 0.00 0.00 0.71 0.00 0.00 60.37 60.70 1ja9 h HIS 104 Cb 0.38 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.28 1ja9 h HIS 104 CO 0.02 1.39 -0.02 1.19 0.71 0.00 0.00 177.93 181.22 1ja9 n PHE 105 N -3.99 0.00 -0.93 5.26 0.99 -0.42 -5.02 117.46 113.35 1ja9 n PHE 105 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.30 1ja9 n PHE 105 Cb 0.91 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.39 1ja9 n PHE 105 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ja9 n GLY 106 N 0.64 1.10 0.00 1.37 0.00 0.97 -4.90 105.19 104.37 1ja9 n GLY 106 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1ja9 n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ja9 n GLY 107 N -2.00 0.30 3.01 -0.02 0.00 -1.25 -4.98 105.19 100.26 1ja9 n GLY 107 Ca 0.00 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 1ja9 n GLY 107 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ja9 s LEU 108 N 0.00 1.92 -0.02 0.99 1.43 -1.26 -4.75 118.68 117.00 1ja9 s LEU 108 Ca 0.00 -0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1ja9 s LEU 108 Cb 0.00 0.30 -0.01 0.00 0.03 0.00 0.00 46.19 46.52 1ja9 s LEU 108 CO 0.00 -0.26 -0.02 0.47 0.23 0.00 0.00 176.35 176.76 1ja9 n ASP 109 N 1.86 0.68 -4.35 2.29 8.00 0.30 -0.78 116.55 124.54 1ja9 n ASP 109 Ca -0.21 0.02 -0.32 0.00 0.71 0.00 0.00 54.79 54.99 1ja9 n ASP 109 Cb 0.56 -0.05 -0.15 0.00 -0.02 0.00 0.00 41.12 41.46 1ja9 n ASP 109 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1ja9 s PHE 110 N -2.04 2.62 -0.16 1.24 2.99 -0.27 -1.00 117.98 121.36 1ja9 s PHE 110 Ca -0.03 -0.57 0.00 0.00 0.00 0.00 0.00 56.93 56.33 1ja9 s PHE 110 Cb 0.01 -1.68 0.03 0.00 0.00 0.00 0.00 43.02 41.38 1ja9 s PHE 110 CO 0.04 -0.12 -0.11 0.08 -0.00 0.00 0.00 175.22 175.10 1ja9 s VAL 111 N -0.14 1.47 -0.36 -0.44 1.01 0.67 -0.82 120.40 121.79 1ja9 s VAL 111 Ca -0.03 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 1ja9 s VAL 111 Cb -0.14 -1.46 0.05 0.00 0.00 0.00 0.00 36.38 34.84 1ja9 s VAL 111 CO 0.04 0.34 0.15 -0.32 0.00 0.00 0.00 175.10 175.31 1ja9 s MET 112 N 1.51 2.56 -0.64 2.72 0.00 0.59 -0.93 119.30 125.11 1ja9 s MET 112 Ca 0.03 -1.30 -0.22 0.00 0.00 0.00 0.00 55.69 54.20 1ja9 s MET 112 Cb -0.14 -3.55 0.07 0.00 0.00 0.00 0.00 34.83 31.22 1ja9 s MET 112 CO -0.09 -0.77 0.92 0.45 0.00 0.00 0.00 175.02 175.53 1ja9 s SER 113 N 1.61 6.19 -0.03 1.11 0.15 0.10 -1.52 113.70 121.31 1ja9 s SER 113 Ca 0.00 -0.99 0.02 0.00 0.70 0.00 0.00 55.95 55.69 1ja9 s SER 113 Cb -0.21 -2.40 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 1ja9 s SER 113 CO 0.02 -1.37 0.00 -3.20 1.20 0.00 0.00 173.24 169.89 1ja9 n ASN 114 N 7.48 4.11 -4.58 5.45 5.15 -1.25 -2.24 115.26 129.39 1ja9 n ASN 114 Ca -0.04 -0.00 -0.45 0.00 -0.60 0.00 0.00 54.58 53.48 1ja9 n ASN 114 Cb 0.45 0.47 -0.02 0.00 -0.53 0.00 0.00 39.78 40.15 1ja9 n ASN 114 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1ja9 n SER 115 N -2.21 1.19 -3.62 1.20 7.64 -1.19 -4.95 113.62 111.69 1ja9 n SER 115 Ca -0.06 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1ja9 n SER 115 Cb 0.60 -1.27 -0.01 0.00 -1.01 0.00 0.00 64.21 62.53 1ja9 n SER 115 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ja9 s GLY 116 N -0.52 -0.39 0.03 0.23 0.00 -1.26 -4.71 107.32 100.70 1ja9 s GLY 116 Ca 0.60 0.80 0.02 0.00 0.00 0.00 0.00 44.72 46.14 1ja9 s GLY 116 CO 0.59 0.18 -0.07 -3.16 0.00 0.00 0.00 173.10 170.64 1ja9 s MET 117 N -2.48 0.48 0.57 2.90 0.23 -1.26 -5.05 119.30 114.69 1ja9 s MET 117 Ca 0.13 -0.62 -0.05 0.00 -1.03 0.00 0.00 55.69 54.12 1ja9 s MET 117 Cb 0.04 -0.28 0.00 0.00 -1.53 0.00 0.00 34.83 33.05 1ja9 s MET 117 CO -0.04 0.05 0.87 -1.21 -2.03 0.00 0.00 175.02 172.67 1ja9 s GLU 118 N -1.24 3.02 -0.29 3.16 0.41 -1.26 -4.98 118.70 117.52 1ja9 s GLU 118 Ca -0.08 -0.01 -0.16 0.00 -0.41 0.00 0.00 54.97 54.32 1ja9 s GLU 118 Cb -0.08 -2.30 0.12 0.00 -1.78 0.00 0.00 34.13 30.08 1ja9 s GLU 118 CO 0.00 -0.60 0.86 0.54 -0.49 0.00 0.00 175.26 175.57 1ja9 s VAL 119 N -2.93 -0.05 -0.06 2.63 0.11 -1.26 -5.07 120.40 113.77 1ja9 s VAL 119 Ca 0.53 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.61 1ja9 s VAL 119 Cb -0.10 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.75 1ja9 s VAL 119 CO 0.45 0.00 -0.16 0.26 -3.33 0.00 0.00 175.10 172.32 1ja9 s TRP 120 N 1.55 1.71 -0.28 1.54 0.52 -1.26 -4.48 118.94 118.24 1ja9 s TRP 120 Ca -0.09 -0.59 -0.23 0.00 0.02 0.00 0.00 56.10 55.20 1ja9 s TRP 120 Cb -0.04 -1.19 0.11 0.00 -1.15 0.00 0.00 33.47 31.19 1ja9 s TRP 120 CO -0.17 -0.25 0.91 0.00 0.02 0.00 0.00 176.95 177.46 1ja9 n ASP 122 N 2.65 3.66 -0.12 0.00 -0.08 -1.26 -4.40 116.55 117.00 1ja9 n ASP 122 Ca -0.14 1.02 0.17 0.00 -1.51 0.00 0.00 54.79 54.33 1ja9 n ASP 122 Cb 0.56 -1.48 0.57 0.00 2.34 0.00 0.00 41.12 43.10 1ja9 n ASP 122 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1ja9 h GLU 123 N 7.70 0.27 0.00 -0.67 4.39 -1.98 0.11 114.58 124.39 1ja9 h GLU 123 Ca -0.46 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.20 1ja9 h GLU 123 Cb 1.24 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1ja9 h GLU 123 CO 0.93 0.18 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.75 1ja9 h LEU 124 N 0.28 0.00 -0.33 1.33 3.38 -2.04 -2.66 115.31 115.27 1ja9 h LEU 124 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1ja9 h LEU 124 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1ja9 h LEU 124 CO -0.08 0.14 -0.49 -0.62 0.09 0.00 0.00 178.44 177.48 1ja9 n GLU 125 N -3.71 0.49 -2.06 1.13 1.02 0.01 -4.92 120.64 112.60 1ja9 n GLU 125 Ca -0.02 -0.33 -0.42 0.00 -0.02 0.00 0.00 57.16 56.37 1ja9 n GLU 125 Cb 0.25 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.15 1ja9 n GLU 125 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1ja9 s VAL 126 N -2.74 3.00 0.35 2.62 1.01 -1.01 -4.99 120.40 118.64 1ja9 s VAL 126 Ca 0.17 0.70 0.07 0.00 0.00 0.00 0.00 61.98 62.92 1ja9 s VAL 126 Cb 0.18 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 1ja9 s VAL 126 CO 0.64 0.05 0.35 0.42 0.00 0.00 0.00 175.10 176.56 1ja9 s THR 127 N 1.22 3.56 0.30 3.92 -4.23 -1.26 -4.99 115.64 114.15 1ja9 s THR 127 Ca 0.67 -1.27 -0.02 0.00 -1.18 0.00 0.00 61.69 59.90 1ja9 s THR 127 Cb -0.40 -3.21 0.24 0.00 1.34 0.00 0.00 72.50 70.47 1ja9 s THR 127 CO 0.31 -0.15 1.94 -0.61 -0.54 0.00 0.00 174.62 175.57 1ja9 h GLN 128 N 1.13 1.02 -0.44 3.99 4.15 -1.99 -1.21 115.11 121.76 1ja9 h GLN 128 Ca -0.44 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 58.89 1ja9 h GLN 128 Cb 1.26 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.71 1ja9 h GLN 128 CO 0.57 0.71 0.28 0.93 -1.93 0.00 0.00 178.83 179.39 1ja9 h GLU 129 N 1.04 0.58 -0.36 1.69 3.07 -1.99 0.51 114.58 119.12 1ja9 h GLU 129 Ca 0.27 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 59.05 1ja9 h GLU 129 Cb -0.04 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.73 1ja9 h GLU 129 CO -0.05 0.40 0.06 1.25 -1.40 0.00 0.00 179.01 179.27 1ja9 h LEU 130 N 0.59 0.57 -0.05 1.33 5.85 -1.85 -1.19 115.31 120.56 1ja9 h LEU 130 Ca 0.16 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.66 1ja9 h LEU 130 Cb -0.05 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 1ja9 h LEU 130 CO -0.03 0.68 -0.18 0.15 -0.34 0.00 0.00 178.44 178.72 1ja9 h PHE 131 N 0.44 -0.47 -0.77 1.25 3.57 -0.93 -1.44 116.94 118.59 1ja9 h PHE 131 Ca 0.11 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1ja9 h PHE 131 Cb 0.35 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 1ja9 h PHE 131 CO 0.02 -0.26 0.50 -0.44 -2.23 0.00 0.00 178.31 175.91 1ja9 h ASP 132 N -0.27 0.86 -0.49 0.41 3.45 -0.82 -0.71 116.42 118.86 1ja9 h ASP 132 Ca 0.07 -0.02 0.01 0.00 0.43 0.00 0.00 57.03 57.53 1ja9 h ASP 132 Cb 0.37 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 38.90 1ja9 h ASP 132 CO -0.21 0.62 0.31 0.50 -1.57 0.00 0.00 179.24 178.89 1ja9 h LYS 133 N 1.02 0.60 -0.03 3.56 3.64 -0.69 0.31 116.57 124.98 1ja9 h LYS 133 Ca 0.29 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1ja9 h LYS 133 Cb -0.09 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.59 1ja9 h LYS 133 CO -0.07 0.40 -0.01 0.28 -2.27 0.00 0.00 179.45 177.77 1ja9 h VAL 134 N 0.62 1.34 -0.07 2.00 2.07 -0.82 -3.12 116.25 118.27 1ja9 h VAL 134 Ca 0.19 -1.02 -0.10 0.00 0.82 0.00 0.00 66.70 66.58 1ja9 h VAL 134 Cb -0.03 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1ja9 h VAL 134 CO -0.07 0.27 -0.43 -0.26 0.02 0.00 0.00 177.57 177.10 1ja9 h PHE 135 N -0.35 0.19 -0.99 1.57 -1.00 -1.06 -1.06 116.94 114.24 1ja9 h PHE 135 Ca 0.01 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1ja9 h PHE 135 Cb 0.45 -0.04 -0.05 0.00 3.61 0.00 0.00 35.95 39.92 1ja9 h PHE 135 CO 0.07 0.57 0.64 -0.91 -1.61 0.00 0.00 178.31 177.07 1ja9 h ASN 136 N 0.13 1.15 0.00 2.17 2.35 -0.39 0.15 115.58 121.15 1ja9 h ASN 136 Ca 0.01 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.67 1ja9 h ASN 136 Cb 0.83 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1ja9 h ASN 136 CO 0.06 0.85 -0.43 0.25 -1.65 0.00 0.00 177.43 176.51 1ja9 h LEU 137 N 1.35 0.00 -1.35 1.61 5.85 -1.47 -0.56 115.31 120.74 1ja9 h LEU 137 Ca 0.36 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1ja9 h LEU 137 Cb -0.13 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1ja9 h LEU 137 CO -0.07 0.87 -0.30 0.78 -0.34 0.00 0.00 178.44 179.37 1ja9 h ASN 138 N -1.00 0.00 0.00 1.25 4.21 -1.27 -3.25 115.58 115.52 1ja9 h ASN 138 Ca -0.07 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.44 1ja9 h ASN 138 Cb 0.60 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.80 1ja9 h ASN 138 CO -0.04 0.30 -0.02 0.41 -1.29 0.00 0.00 177.43 176.79 1ja9 n THR 139 N -3.83 0.83 -0.30 2.81 -1.04 -0.56 -4.51 114.28 107.68 1ja9 n THR 139 Ca -0.01 0.27 0.00 0.00 -2.04 0.00 0.00 64.05 62.27 1ja9 n THR 139 Cb 0.39 -1.42 0.14 0.00 -1.82 0.00 0.00 70.33 67.62 1ja9 n THR 139 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1ja9 h ARG 140 N -0.02 0.91 -0.58 -2.82 2.43 -0.83 -1.11 114.38 112.35 1ja9 h ARG 140 Ca 0.00 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.16 1ja9 h ARG 140 Cb 0.02 -0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 29.32 1ja9 h ARG 140 CO 0.00 0.60 0.32 0.78 -1.51 0.00 0.00 179.97 180.16 1ja9 h GLY 141 N 0.94 0.84 1.64 2.80 0.00 -1.12 -1.50 103.07 106.67 1ja9 h GLY 141 Ca 0.37 -0.22 -0.09 0.00 0.00 0.00 0.00 47.33 47.38 1ja9 h GLY 141 CO -0.17 0.15 -0.24 1.46 0.00 0.00 0.00 176.54 177.73 1ja9 h GLN 142 N 0.60 0.42 -0.13 4.80 4.20 -1.52 -0.60 115.11 122.89 1ja9 h GLN 142 Ca 0.26 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 1ja9 h GLN 142 Cb 0.14 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1ja9 h GLN 142 CO -0.16 0.64 0.07 0.35 -0.67 0.00 0.00 178.83 179.06 1ja9 h PHE 143 N 0.38 0.18 -0.16 2.96 3.57 -0.46 -0.70 116.94 122.71 1ja9 h PHE 143 Ca 0.06 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.43 1ja9 h PHE 143 Cb 0.63 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1ja9 h PHE 143 CO 0.02 0.21 -0.41 0.74 -2.23 0.00 0.00 178.31 176.64 1ja9 h PHE 144 N 0.09 0.42 -0.61 0.41 -1.00 -1.03 0.82 116.94 116.04 1ja9 h PHE 144 Ca 0.04 -0.12 -0.04 0.00 2.81 0.00 0.00 57.97 60.66 1ja9 h PHE 144 Cb 0.10 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 39.54 1ja9 h PHE 144 CO -0.04 0.72 0.21 0.28 -1.61 0.00 0.00 178.31 177.88 1ja9 h VAL 145 N 0.30 1.24 -0.61 -0.55 2.07 -1.00 -0.29 116.25 117.41 1ja9 h VAL 145 Ca 0.03 -0.79 -0.09 0.00 0.82 0.00 0.00 66.70 66.67 1ja9 h VAL 145 Cb 0.85 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1ja9 h VAL 145 CO 0.07 0.30 0.05 0.00 0.02 0.00 0.00 177.57 178.01 1ja9 h ALA 146 N 1.08 0.82 -0.50 1.67 0.00 -0.56 0.37 119.26 122.14 1ja9 h ALA 146 Ca 0.20 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1ja9 h ALA 146 Cb 0.25 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1ja9 h ALA 146 CO -0.01 0.62 0.32 0.37 0.00 0.00 0.00 179.25 180.55 1ja9 h GLN 147 N 0.95 0.63 -0.15 0.00 4.15 -0.57 0.02 115.11 120.14 1ja9 h GLN 147 Ca 0.18 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.49 1ja9 h GLN 147 Cb 0.50 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 1ja9 h GLN 147 CO 0.02 0.42 -0.21 1.96 -1.93 0.00 0.00 178.83 179.09 1ja9 h GLN 148 N 0.65 0.26 -0.40 1.69 1.08 -0.61 -0.27 115.11 117.52 1ja9 h GLN 148 Ca 0.19 -0.08 -0.07 0.00 -1.45 0.00 0.00 58.65 57.23 1ja9 h GLN 148 Cb -0.06 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 1ja9 h GLN 148 CO -0.05 0.47 -0.03 0.78 -0.95 0.00 0.00 178.83 179.05 1ja9 h GLY 149 N 0.91 0.79 1.17 3.46 0.00 -0.18 -0.03 103.07 109.19 1ja9 h GLY 149 Ca 0.04 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 1ja9 h GLY 149 CO 0.04 0.55 0.41 -2.00 0.00 0.00 0.00 176.54 175.54 1ja9 h LEU 150 N 0.55 0.98 -0.68 3.11 5.85 -0.39 0.22 115.31 124.95 1ja9 h LEU 150 Ca 0.11 -0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.62 1ja9 h LEU 150 Cb 0.52 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1ja9 h LEU 150 CO 0.03 0.80 -0.27 0.50 -0.34 0.00 0.00 178.44 179.16 1ja9 h LYS 151 N 1.09 0.74 0.00 1.25 3.64 -0.64 -3.39 116.57 119.26 1ja9 h LYS 151 Ca 0.27 -0.32 -0.07 0.00 -1.27 0.00 0.00 60.65 59.26 1ja9 h LYS 151 Cb 0.05 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1ja9 h LYS 151 CO -0.04 0.92 -1.40 0.72 -2.27 0.00 0.00 179.45 177.38 1ja9 n HIS 152 N -4.09 0.00 -1.69 1.91 8.25 -0.06 -5.04 115.22 114.50 1ja9 n HIS 152 Ca -0.00 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.01 1ja9 n HIS 152 Cb 0.45 -0.26 -0.03 0.00 1.12 0.00 0.00 29.99 31.27 1ja9 n HIS 152 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ja9 s ARG 154 N 0.58 2.76 0.31 0.00 0.52 0.04 -4.88 118.95 118.27 1ja9 s ARG 154 Ca 0.75 0.58 -0.29 0.00 -0.52 0.00 0.00 55.73 56.25 1ja9 s ARG 154 Cb -0.62 -2.00 -0.12 0.00 0.52 0.00 0.00 34.95 32.72 1ja9 s ARG 154 CO 0.40 -1.13 1.37 -2.13 0.02 0.00 0.00 175.30 173.82 1ja9 n ARG 155 N -3.09 2.19 -0.75 3.54 0.63 -1.26 -0.53 116.66 117.39 1ja9 n ARG 155 Ca 0.07 0.77 0.00 0.00 -0.92 0.00 0.00 57.85 57.77 1ja9 n ARG 155 Cb 0.56 -2.41 0.00 0.00 0.45 0.00 0.00 32.46 31.07 1ja9 n ARG 155 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ja9 n GLY 156 N 1.30 0.72 3.72 5.14 0.00 0.59 -5.01 105.19 111.65 1ja9 n GLY 156 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1ja9 n GLY 156 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ja9 s GLY 157 N -1.91 1.63 -0.08 -0.02 0.00 0.31 -4.91 107.32 102.35 1ja9 s GLY 157 Ca 0.00 -0.87 -0.06 0.00 0.00 0.00 0.00 44.72 43.80 1ja9 s GLY 157 CO 0.00 -0.10 0.19 0.50 0.00 0.00 0.00 173.10 173.69 1ja9 s ARG 158 N -5.45 0.20 -0.10 2.90 1.81 -0.17 -2.36 118.95 115.78 1ja9 s ARG 158 Ca 0.70 0.33 0.03 0.00 -1.72 0.00 0.00 55.73 55.07 1ja9 s ARG 158 Cb -0.10 0.02 0.01 0.00 -0.45 0.00 0.00 34.95 34.42 1ja9 s ARG 158 CO 0.55 -0.07 -0.20 0.42 -0.68 0.00 0.00 175.30 175.31 1ja9 s ILE 159 N 0.50 1.79 -0.10 1.52 1.01 -0.39 -0.24 121.20 125.30 1ja9 s ILE 159 Ca -0.03 -0.86 -0.00 0.00 0.00 0.00 0.00 60.65 59.76 1ja9 s ILE 159 Cb -0.05 -1.57 0.02 0.00 0.01 0.00 0.00 42.46 40.88 1ja9 s ILE 159 CO -0.02 0.50 -0.06 -0.63 0.00 0.00 0.00 174.94 174.73 1ja9 s ILE 160 N 0.50 0.84 0.43 2.92 1.01 -0.11 -1.42 121.20 125.38 1ja9 s ILE 160 Ca -0.16 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.32 1ja9 s ILE 160 Cb -0.17 -0.89 -0.00 0.00 0.01 0.00 0.00 42.46 41.40 1ja9 s ILE 160 CO 0.06 0.33 0.63 -0.76 0.00 0.00 0.00 174.94 175.20 1ja9 s LEU 161 N 1.70 3.71 -0.23 2.97 1.43 -0.02 -0.72 118.68 127.52 1ja9 s LEU 161 Ca 0.03 0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 1ja9 s LEU 161 Cb -0.13 -3.08 0.04 0.00 0.03 0.00 0.00 46.19 43.06 1ja9 s LEU 161 CO -0.07 -0.65 -0.15 -0.89 0.23 0.00 0.00 176.35 174.83 1ja9 s THR 162 N -2.48 2.14 0.00 5.49 2.01 -0.95 -0.94 115.64 120.91 1ja9 s THR 162 Ca 0.48 -1.34 0.00 0.00 0.31 0.00 0.00 61.69 61.14 1ja9 s THR 162 Cb -0.10 -2.11 0.00 0.00 0.01 0.00 0.00 72.50 70.30 1ja9 s THR 162 CO 0.36 0.21 0.00 -0.24 -0.69 0.00 0.00 174.62 174.26 1ja9 n SER 163 N 4.51 0.00 -3.62 3.53 2.88 0.62 -4.96 113.62 116.58 1ja9 n SER 163 Ca -0.17 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.33 1ja9 n SER 163 Cb 0.45 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.88 1ja9 n SER 163 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ja9 s SER 164 N -0.88 -0.10 0.51 -3.46 0.15 -1.26 -4.54 113.70 104.12 1ja9 s SER 164 Ca 0.00 0.08 0.34 0.00 0.70 0.00 0.00 55.95 57.07 1ja9 s SER 164 Cb 0.00 0.09 1.61 0.00 -1.71 0.00 0.00 66.02 66.00 1ja9 s SER 164 CO 0.00 -0.11 2.02 0.16 1.20 0.00 0.00 173.24 176.51 1ja9 h ILE 165 N 2.11 0.00 0.00 6.45 3.07 -1.58 -1.18 117.51 126.37 1ja9 h ILE 165 Ca -0.09 -0.25 -0.00 0.00 1.55 0.00 0.00 64.86 66.07 1ja9 h ILE 165 Cb 1.17 1.15 -0.00 0.00 -0.27 0.00 0.00 36.82 38.87 1ja9 h ILE 165 CO 0.23 0.00 -0.01 0.00 -1.05 0.00 0.00 178.15 177.32 1ja9 h ALA 166 N 2.04 1.05 0.00 0.16 0.00 -1.94 -1.59 119.26 118.98 1ja9 h ALA 166 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1ja9 h ALA 166 Cb 0.27 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ja9 h ALA 166 CO 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 179.25 179.13 1ja9 h ALA 167 N 1.99 1.41 -0.00 0.00 0.00 -1.46 -3.15 119.26 118.04 1ja9 h ALA 167 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ja9 h ALA 167 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ja9 h ALA 167 CO 0.00 0.17 0.00 1.33 0.00 0.00 0.00 179.25 180.75 1ja9 n VAL 168 N -3.84 0.18 -1.84 0.00 0.24 -0.69 -4.77 118.33 107.62 1ja9 n VAL 168 Ca -0.02 -0.59 -0.32 0.00 -2.04 0.00 0.00 64.34 61.37 1ja9 n VAL 168 Cb 0.23 0.92 0.03 0.00 -1.47 0.00 0.00 33.84 33.55 1ja9 n VAL 168 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1ja9 s MET 169 N -0.21 3.13 0.33 7.34 -1.94 -0.68 -5.07 119.30 122.19 1ja9 s MET 169 Ca 0.01 1.12 0.10 0.00 -1.71 0.00 0.00 55.69 55.20 1ja9 s MET 169 Cb 0.00 -2.01 -0.06 0.00 2.01 0.00 0.00 34.83 34.78 1ja9 s MET 169 CO 0.01 -0.96 -0.09 0.95 -0.01 0.00 0.00 175.02 174.92 1ja9 s THR 170 N -2.68 2.42 0.00 2.05 -4.23 -1.26 -4.77 115.64 107.18 1ja9 s THR 170 Ca 0.62 -2.18 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 1ja9 s THR 170 Cb -0.15 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.06 1ja9 s THR 170 CO 0.44 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.89 1ja9 n GLY 171 N -0.80 0.59 3.53 3.99 0.00 -1.26 -5.02 105.19 106.22 1ja9 n GLY 171 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1ja9 n GLY 171 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ja9 s ILE 172 N -2.42 4.60 0.45 -0.61 -1.09 -1.26 -5.10 121.20 115.77 1ja9 s ILE 172 Ca 0.00 -0.08 -0.03 0.00 -2.23 0.00 0.00 60.65 58.31 1ja9 s ILE 172 Cb 0.00 -3.13 -0.03 0.00 -1.58 0.00 0.00 42.46 37.73 1ja9 s ILE 172 CO 0.00 0.37 0.71 -2.16 -1.23 0.00 0.00 174.94 172.63 1ja9 s PRO 173 N 1.22 3.38 -1.41 2.79 0.04 -1.26 -4.50 135.00 135.26 1ja9 s PRO 173 Ca 0.05 -0.09 -0.09 0.00 0.04 0.00 0.00 61.00 60.92 1ja9 s PRO 173 Cb -0.14 -2.47 0.05 0.00 0.04 0.00 0.00 34.50 31.97 1ja9 s PRO 173 CO 0.04 -0.17 0.62 0.09 0.04 0.00 0.00 177.00 177.62 1ja9 n ASN 174 N -2.13 -4.72 -0.46 6.66 5.03 -1.26 -4.88 115.26 113.50 1ja9 n ASN 174 Ca -0.00 -0.42 0.04 0.00 0.87 0.00 0.00 54.58 55.07 1ja9 n ASN 174 Cb 0.56 -3.84 0.07 0.00 -1.02 0.00 0.00 39.78 35.55 1ja9 n ASN 174 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 1ja9 n HIS 175 N -4.26 0.00 -0.01 3.10 -0.00 -1.26 -0.90 115.22 111.88 1ja9 n HIS 175 Ca -0.04 -0.52 0.00 0.00 0.46 0.00 0.00 57.72 57.62 1ja9 n HIS 175 Cb 0.56 -0.11 0.31 0.00 -0.12 0.00 0.00 29.99 30.63 1ja9 n HIS 175 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ja9 h ALA 176 N 0.18 1.41 -0.41 1.57 0.00 -1.89 -1.16 119.26 118.95 1ja9 h ALA 176 Ca -0.02 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1ja9 h ALA 176 Cb 1.28 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1ja9 h ALA 176 CO 0.01 0.42 -0.07 -0.07 0.00 0.00 0.00 179.25 179.54 1ja9 h LEU 177 N 0.54 0.78 -0.03 0.00 3.38 -1.88 -0.36 115.31 117.74 1ja9 h LEU 177 Ca 0.12 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1ja9 h LEU 177 Cb 0.26 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1ja9 h LEU 177 CO 0.00 0.95 -0.02 0.22 0.09 0.00 0.00 178.44 179.68 1ja9 h TYR 178 N 0.60 0.07 -0.56 1.13 3.20 -1.73 -1.27 116.97 118.40 1ja9 h TYR 178 Ca 0.11 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.00 1ja9 h TYR 178 Cb 0.59 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.80 1ja9 h TYR 178 CO 0.05 0.49 0.31 0.00 -1.64 0.00 0.00 178.16 177.37 1ja9 h ALA 179 N 0.57 0.73 -0.38 1.82 0.00 -1.22 -1.63 119.26 119.15 1ja9 h ALA 179 Ca 0.01 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1ja9 h ALA 179 Cb 0.47 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ja9 h ALA 179 CO 0.00 -0.00 -0.34 0.78 0.00 0.00 0.00 179.25 179.70 1ja9 h GLY 180 N 0.61 0.95 1.83 0.00 0.00 -1.06 -0.60 103.07 104.79 1ja9 h GLY 180 Ca 0.24 -0.92 -0.11 0.00 0.00 0.00 0.00 47.33 46.55 1ja9 h GLY 180 CO -0.14 0.83 -0.42 1.48 0.00 0.00 0.00 176.54 178.29 1ja9 h SER 181 N 0.73 0.20 0.20 0.19 4.64 -0.94 -2.01 113.55 116.55 1ja9 h SER 181 Ca 0.07 -0.08 -0.26 0.00 -0.47 0.00 0.00 61.79 61.04 1ja9 h SER 181 Cb 0.90 -0.06 0.03 0.00 -0.31 0.00 0.00 62.40 62.97 1ja9 h SER 181 CO 0.08 0.61 -1.17 0.11 -0.87 0.00 0.00 176.83 175.59 1ja9 h LYS 182 N 0.16 0.42 -0.78 4.77 1.79 -1.21 -3.29 116.57 118.42 1ja9 h LYS 182 Ca 0.01 -0.71 0.08 0.00 -2.18 0.00 0.00 60.65 57.85 1ja9 h LYS 182 Cb 0.82 0.26 -0.05 0.00 -1.58 0.00 0.00 32.23 31.68 1ja9 h LYS 182 CO 0.06 1.34 0.51 0.00 -1.08 0.00 0.00 179.45 180.28 1ja9 h ALA 183 N 0.11 1.69 -0.99 3.86 0.00 -1.01 -1.89 119.26 121.03 1ja9 h ALA 183 Ca -0.21 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.80 1ja9 h ALA 183 Cb 1.91 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 19.42 1ja9 h ALA 183 CO 0.21 0.17 0.63 0.00 0.00 0.00 0.00 179.25 180.26 1ja9 h ALA 184 N 1.59 1.53 0.00 0.00 0.00 -1.44 -1.59 119.26 119.36 1ja9 h ALA 184 Ca 0.34 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 1ja9 h ALA 184 Cb 0.32 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1ja9 h ALA 184 CO -0.12 0.24 -0.22 0.28 0.00 0.00 0.00 179.25 179.42 1ja9 h VAL 185 N 1.00 0.94 -0.40 0.00 2.07 -1.45 -1.67 116.25 116.75 1ja9 h VAL 185 Ca 0.48 -0.83 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 1ja9 h VAL 185 Cb 0.45 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1ja9 h VAL 185 CO -0.24 0.22 -0.16 -0.33 0.02 0.00 0.00 177.57 177.07 1ja9 h GLU 186 N 0.00 0.74 -0.50 1.57 5.08 -1.30 0.02 114.58 120.19 1ja9 h GLU 186 Ca -0.00 -0.27 -0.12 0.00 -1.00 0.00 0.00 59.36 57.97 1ja9 h GLU 186 Cb 0.46 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1ja9 h GLU 186 CO 0.03 0.86 -0.16 0.78 -1.00 0.00 0.00 179.01 179.52 1ja9 h GLY 187 N 0.98 1.07 1.00 -3.84 0.00 -1.29 -2.80 103.07 98.18 1ja9 h GLY 187 Ca 0.10 -0.91 0.01 0.00 0.00 0.00 0.00 47.33 46.54 1ja9 h GLY 187 CO 0.05 0.83 0.59 0.74 0.00 0.00 0.00 176.54 178.74 1ja9 h PHE 188 N 0.84 1.11 -0.23 5.60 0.04 -0.85 -2.60 116.94 120.85 1ja9 h PHE 188 Ca 0.12 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.95 1ja9 h PHE 188 Cb 0.73 -0.38 -0.03 0.00 2.20 0.00 0.00 35.95 38.48 1ja9 h PHE 188 CO 0.05 0.70 0.05 0.00 -0.60 0.00 0.00 178.31 178.50 1ja9 h ARG 190 N 0.14 1.00 0.08 0.00 3.08 -1.35 -1.46 114.38 115.86 1ja9 h ARG 190 Ca 0.10 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 1ja9 h ARG 190 Cb 0.10 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1ja9 h ARG 190 CO -0.14 0.89 -0.04 0.00 -1.07 0.00 0.00 179.97 179.61 1ja9 h ALA 191 N 1.21 -0.11 -0.05 0.04 0.00 -1.17 -3.22 119.26 115.97 1ja9 h ALA 191 Ca 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1ja9 h ALA 191 Cb 0.34 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ja9 h ALA 191 CO 0.00 -0.35 -0.11 0.74 0.00 0.00 0.00 179.25 179.53 1ja9 h PHE 192 N -0.53 0.08 -0.93 0.00 -1.00 -0.61 -1.80 116.94 112.15 1ja9 h PHE 192 Ca -0.01 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 1ja9 h PHE 192 Cb 0.45 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 39.94 1ja9 h PHE 192 CO 0.06 0.19 0.55 0.00 -1.61 0.00 0.00 178.31 177.50 1ja9 h ALA 193 N 1.82 1.21 -0.30 2.45 0.00 -1.27 0.95 119.26 124.11 1ja9 h ALA 193 Ca 0.02 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1ja9 h ALA 193 Cb 0.25 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1ja9 h ALA 193 CO 0.02 0.67 -0.15 0.28 0.00 0.00 0.00 179.25 180.07 1ja9 h VAL 194 N 1.29 1.29 0.00 0.00 2.07 -1.39 -2.71 116.25 116.81 1ja9 h VAL 194 Ca 0.33 -1.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.58 1ja9 h VAL 194 Cb -0.03 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1ja9 h VAL 194 CO -0.06 0.40 -0.15 0.44 0.02 0.00 0.00 177.57 178.22 1ja9 h ASP 195 N 0.37 0.00 0.07 0.57 3.45 -0.72 -2.92 116.42 117.25 1ja9 h ASP 195 Ca 0.07 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.53 1ja9 h ASP 195 Cb 0.67 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.44 1ja9 h ASP 195 CO 0.04 0.15 -0.59 0.00 -1.57 0.00 0.00 179.24 177.27 1ja9 h GLY 197 N 4.92 0.27 1.15 0.00 0.00 -1.27 -2.23 103.07 105.91 1ja9 h GLY 197 Ca 0.00 0.08 0.10 0.00 0.00 0.00 0.00 47.33 47.51 1ja9 h GLY 197 CO 0.00 -0.10 0.34 0.00 0.00 0.00 0.00 176.54 176.77 1ja9 h ALA 198 N 1.31 2.16 -0.00 3.60 0.00 -1.81 0.54 119.26 125.06 1ja9 h ALA 198 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ja9 h ALA 198 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ja9 h ALA 198 CO -0.31 -0.28 -0.10 1.63 0.00 0.00 0.00 179.25 180.19 1ja9 n LYS 199 N -4.45 0.54 -2.59 0.00 4.76 -0.86 -4.93 118.16 110.62 1ja9 n LYS 199 Ca 0.08 -0.15 -0.10 0.00 -2.87 0.00 0.00 58.31 55.27 1ja9 n LYS 199 Cb 0.40 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 32.11 1ja9 n LYS 199 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ja9 n GLY 200 N 1.31 0.14 3.19 0.72 0.00 0.18 -4.07 105.19 106.65 1ja9 n GLY 200 Ca 0.13 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 1ja9 n GLY 200 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ja9 s VAL 201 N -2.81 2.12 0.40 1.61 1.01 -1.10 -0.30 120.40 121.32 1ja9 s VAL 201 Ca 0.13 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 1ja9 s VAL 201 Cb -0.06 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 1ja9 s VAL 201 CO 0.17 0.55 0.69 0.42 0.00 0.00 0.00 175.10 176.93 1ja9 s THR 202 N 0.73 4.94 -0.07 3.92 -4.23 -1.00 -4.18 115.64 115.75 1ja9 s THR 202 Ca -0.09 0.17 -0.01 0.00 -1.18 0.00 0.00 61.69 60.58 1ja9 s THR 202 Cb -0.16 -3.80 0.03 0.00 1.34 0.00 0.00 72.50 69.91 1ja9 s THR 202 CO 0.00 -0.60 -0.00 -0.69 -0.54 0.00 0.00 174.62 172.78 1ja9 s VAL 203 N -2.44 0.41 0.29 2.29 1.01 -1.26 -1.26 120.40 119.44 1ja9 s VAL 203 Ca 0.46 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.56 1ja9 s VAL 203 Cb -0.10 -0.55 -0.06 0.00 0.00 0.00 0.00 36.38 35.68 1ja9 s VAL 203 CO 0.37 0.26 0.07 0.20 0.00 0.00 0.00 175.10 176.00 1ja9 s ASN 204 N 1.84 1.77 -0.04 3.32 0.01 -0.51 0.07 114.94 121.40 1ja9 s ASN 204 Ca 0.03 -1.37 0.01 0.00 -0.71 0.00 0.00 52.86 50.82 1ja9 s ASN 204 Cb -0.12 0.04 0.02 0.00 0.41 0.00 0.00 41.25 41.59 1ja9 s ASN 204 CO -0.05 -0.66 -0.05 0.00 -1.51 0.00 0.00 177.10 174.83 1ja9 s ILE 206 N 0.82 5.33 -0.47 0.00 -4.36 -0.12 0.43 121.20 122.84 1ja9 s ILE 206 Ca -0.12 0.26 0.03 0.00 -0.26 0.00 0.00 60.65 60.56 1ja9 s ILE 206 Cb -0.14 -3.54 0.14 0.00 1.25 0.00 0.00 42.46 40.17 1ja9 s ILE 206 CO 0.01 0.47 0.27 0.00 0.24 0.00 0.00 174.94 175.92 1ja9 s ALA 207 N -1.19 2.35 0.63 2.27 0.00 0.17 -0.27 121.76 125.72 1ja9 s ALA 207 Ca 0.23 -2.75 -0.14 0.00 0.00 0.00 0.00 51.96 49.30 1ja9 s ALA 207 Cb -0.13 -1.92 -0.02 0.00 0.00 0.00 0.00 23.12 21.05 1ja9 s ALA 207 CO 0.12 -2.06 1.07 -2.14 0.00 0.00 0.00 175.76 172.75 1ja9 s PRO 208 N 0.14 3.12 0.00 0.00 0.02 -1.26 -1.12 135.00 135.90 1ja9 s PRO 208 Ca 0.19 1.18 0.00 0.00 0.02 0.00 0.00 61.00 62.39 1ja9 s PRO 208 Cb -0.21 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.30 1ja9 s PRO 208 CO -0.02 -0.97 0.00 0.41 -0.33 0.00 0.00 177.00 176.09 1ja9 n GLY 209 N -1.14 0.80 3.74 0.52 0.00 -0.49 -2.08 105.19 106.55 1ja9 n GLY 209 Ca 0.09 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 1ja9 n GLY 209 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ja9 s GLY 210 N -1.47 1.97 -0.05 -0.02 0.00 -1.23 -4.96 107.32 101.55 1ja9 s GLY 210 Ca 0.00 1.52 0.00 0.00 0.00 0.00 0.00 44.72 46.25 1ja9 s GLY 210 CO 0.00 2.56 -0.03 0.14 0.00 0.00 0.00 173.10 175.77 1ja9 s VAL 211 N 0.26 0.50 -0.33 1.40 1.01 -1.26 -3.45 120.40 118.53 1ja9 s VAL 211 Ca 0.65 -0.06 -0.29 0.00 0.00 0.00 0.00 61.98 62.28 1ja9 s VAL 211 Cb -0.47 -0.56 -0.07 0.00 0.00 0.00 0.00 36.38 35.28 1ja9 s VAL 211 CO 0.43 0.23 2.28 1.17 0.00 0.00 0.00 175.10 179.22 1ja9 n LYS 212 N 4.33 1.52 -3.27 2.72 3.00 -0.06 -4.40 118.16 122.00 1ja9 n LYS 212 Ca -0.20 0.35 -0.08 0.00 -0.00 0.00 0.00 58.31 58.37 1ja9 n LYS 212 Cb 0.51 -3.09 0.01 0.00 0.00 0.00 0.00 35.03 32.46 1ja9 n LYS 212 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1ja9 n THR 213 N 7.71 0.00 -0.18 3.15 -2.24 -1.26 -4.33 114.28 117.12 1ja9 n THR 213 Ca 0.35 -0.92 -0.08 0.00 -2.27 0.00 0.00 64.05 61.12 1ja9 n THR 213 Cb 0.42 0.81 0.02 0.00 -2.10 0.00 0.00 70.33 69.47 1ja9 n THR 213 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ja9 h ASP 214 N 1.58 0.74 -0.92 3.42 3.45 -1.99 -0.59 116.42 122.11 1ja9 h ASP 214 Ca -0.26 -0.18 0.00 0.00 0.43 0.00 0.00 57.03 57.02 1ja9 h ASP 214 Cb 0.98 -0.19 -0.05 0.00 -0.56 0.00 0.00 39.33 39.51 1ja9 h ASP 214 CO 0.33 0.72 0.59 -0.03 -1.57 0.00 0.00 179.24 179.28 1ja9 h MET 215 N 0.71 1.23 -0.47 3.56 4.05 -1.97 -1.35 114.93 120.70 1ja9 h MET 215 Ca 0.17 -0.09 -0.06 0.00 -0.28 0.00 0.00 59.70 59.45 1ja9 h MET 215 Cb 0.23 -0.27 -0.02 0.00 -0.80 0.00 0.00 31.60 30.74 1ja9 h MET 215 CO -0.01 0.84 0.07 0.35 0.23 0.00 0.00 176.91 178.39 1ja9 h PHE 216 N 1.26 0.84 0.00 1.39 3.57 -1.68 0.01 116.94 122.33 1ja9 h PHE 216 Ca 0.34 -0.12 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 1ja9 h PHE 216 Cb -0.11 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.40 1ja9 h PHE 216 CO -0.00 0.78 -0.20 -0.44 -2.23 0.00 0.00 178.31 176.22 1ja9 h ASP 217 N 0.66 0.00 0.70 0.41 3.32 -0.64 0.17 116.42 121.04 1ja9 h ASP 217 Ca 0.14 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.97 1ja9 h ASP 217 Cb 0.40 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 1ja9 h ASP 217 CO 0.01 0.20 -1.43 -0.08 -1.72 0.00 0.00 179.24 176.22 1ja9 h GLU 218 N 0.00 0.00 -0.00 3.56 4.57 -0.95 -3.42 114.58 118.34 1ja9 h GLU 218 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ja9 h GLU 218 Cb 0.51 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1ja9 h GLU 218 CO 0.03 0.45 -0.07 0.09 -1.18 0.00 0.00 179.01 178.33 1ja9 n ASN 219 N -3.02 0.25 0.28 1.04 3.02 -0.04 -4.77 115.26 112.02 1ja9 n ASN 219 Ca -0.11 -0.63 0.14 0.00 -0.03 0.00 0.00 54.58 53.95 1ja9 n ASN 219 Cb 0.93 0.84 0.84 0.00 -0.61 0.00 0.00 39.78 41.78 1ja9 n ASN 219 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1ja9 h SER 220 N 0.06 0.00 -0.41 6.41 4.64 -0.85 -2.59 113.55 120.81 1ja9 h SER 220 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1ja9 h SER 220 Cb 0.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1ja9 h SER 220 CO 0.00 0.00 0.28 4.11 -0.87 0.00 0.00 176.83 180.35 1ja9 h TRP 221 N 0.00 0.37 0.00 4.77 5.08 -1.86 -0.48 115.95 123.83 1ja9 h TRP 221 Ca 0.01 0.01 -0.01 0.00 1.08 0.00 0.00 58.89 59.98 1ja9 h TRP 221 Cb 0.05 -0.12 -0.00 0.00 -3.00 0.00 0.00 29.16 26.09 1ja9 h TRP 221 CO 0.00 0.21 -0.03 0.45 -1.28 0.00 0.00 178.44 177.78 1ja9 h HIS 222 N 0.37 0.00 0.00 0.12 3.86 -1.81 -2.94 115.15 114.76 1ja9 h HIS 222 Ca 0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1ja9 h HIS 222 Cb 0.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.69 1ja9 h HIS 222 CO -0.00 0.03 -1.46 0.66 0.86 0.00 0.00 177.93 178.02 1ja9 n TYR 223 N -3.34 0.00 -2.35 2.45 4.02 -0.25 -4.97 117.16 112.72 1ja9 n TYR 223 Ca -0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.46 1ja9 n TYR 223 Cb 0.16 -0.27 -0.03 0.00 -0.02 0.00 0.00 39.34 39.18 1ja9 n TYR 223 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ja9 s ALA 224 N -2.95 3.44 0.13 -0.72 0.00 -0.81 -4.94 121.76 115.91 1ja9 s ALA 224 Ca -0.03 1.00 -0.31 0.00 0.00 0.00 0.00 51.96 52.63 1ja9 s ALA 224 Cb 0.11 -3.39 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 1ja9 s ALA 224 CO 0.67 -0.35 1.82 -2.14 0.00 0.00 0.00 175.76 175.76 1ja9 s PRO 225 N -1.04 4.14 -0.68 0.00 0.02 -1.26 -0.46 135.00 135.71 1ja9 s PRO 225 Ca 0.49 2.59 0.00 0.00 0.02 0.00 0.00 61.00 64.10 1ja9 s PRO 225 Cb -0.34 -3.56 0.00 0.00 0.02 0.00 0.00 34.50 30.62 1ja9 s PRO 225 CO 0.42 -0.84 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 1ja9 n GLY 226 N 4.22 0.86 3.77 0.52 0.00 -1.26 -4.97 105.19 108.32 1ja9 n GLY 226 Ca 0.18 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 1ja9 n GLY 226 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ja9 s GLY 227 N -2.71 2.61 0.07 -0.02 0.00 0.39 -5.05 107.32 102.61 1ja9 s GLY 227 Ca 0.00 0.85 -0.09 0.00 0.00 0.00 0.00 44.72 45.48 1ja9 s GLY 227 CO 0.00 1.22 0.20 -2.52 0.00 0.00 0.00 173.10 172.00 1ja9 s TYR 228 N -1.78 0.09 0.03 1.90 -0.85 -1.26 -4.92 117.35 110.56 1ja9 s TYR 228 Ca 0.74 -0.41 -0.30 0.00 -0.52 0.00 0.00 57.07 56.57 1ja9 s TYR 228 Cb -0.26 -0.03 -0.07 0.00 0.38 0.00 0.00 41.96 41.99 1ja9 s TYR 228 CO 0.30 -0.49 1.51 0.21 -1.52 0.00 0.00 175.55 175.56 1ja9 s LYS 229 N -3.22 4.24 0.00 -3.49 2.20 -1.26 -2.09 119.74 116.12 1ja9 s LYS 229 Ca -0.00 2.13 0.00 0.00 -0.36 0.00 0.00 55.97 57.74 1ja9 s LYS 229 Cb 0.02 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 1ja9 s LYS 229 CO -0.07 -0.65 0.00 0.41 -0.36 0.00 0.00 175.35 174.68 1ja9 n GLY 230 N 3.80 0.51 3.71 5.54 0.00 -1.26 -5.07 105.19 112.42 1ja9 n GLY 230 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1ja9 n GLY 230 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ja9 s MET 231 N -0.72 4.16 0.27 1.61 0.00 -0.89 -4.92 119.30 118.82 1ja9 s MET 231 Ca 0.00 2.50 -0.29 0.00 0.00 0.00 0.00 55.69 57.90 1ja9 s MET 231 Cb 0.00 -3.30 -0.14 0.00 0.00 0.00 0.00 34.83 31.40 1ja9 s MET 231 CO 0.00 -0.73 1.13 -2.30 0.00 0.00 0.00 175.02 173.12 1ja9 n PRO 232 N 4.62 1.55 -0.04 4.11 -0.02 -1.26 -4.85 135.00 139.10 1ja9 n PRO 232 Ca 0.16 0.54 0.04 0.00 -2.02 0.00 0.00 63.50 62.22 1ja9 n PRO 232 Cb 0.38 -2.01 0.40 0.00 -0.02 0.00 0.00 33.50 32.25 1ja9 n PRO 232 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1ja9 h GLN 233 N 2.58 0.61 -0.31 -0.52 5.75 -1.97 -1.38 115.11 119.88 1ja9 h GLN 233 Ca -0.42 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 57.98 1ja9 h GLN 233 Cb 1.32 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.72 1ja9 h GLN 233 CO 0.64 0.40 -0.08 1.49 -2.65 0.00 0.00 178.83 178.64 1ja9 h GLU 234 N 0.63 0.50 -0.19 1.69 4.22 -1.99 0.96 114.58 120.40 1ja9 h GLU 234 Ca 0.18 -0.13 -0.17 0.00 0.08 0.00 0.00 59.36 59.32 1ja9 h GLU 234 Cb -0.04 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1ja9 h GLU 234 CO -0.04 0.59 -0.58 0.87 -2.18 0.00 0.00 179.01 177.67 1ja9 h LYS 235 N 0.47 0.60 0.31 1.92 6.56 -1.65 -1.54 116.57 123.24 1ja9 h LYS 235 Ca 0.09 -0.39 -0.01 0.00 -1.06 0.00 0.00 60.65 59.27 1ja9 h LYS 235 Cb 0.43 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.15 1ja9 h LYS 235 CO 0.02 1.01 -0.15 0.82 -2.06 0.00 0.00 179.45 179.10 1ja9 h ILE 236 N 0.45 0.72 -0.90 1.86 2.04 -0.68 -0.99 117.51 120.02 1ja9 h ILE 236 Ca 0.00 -0.24 0.13 0.00 1.00 0.00 0.00 64.86 65.75 1ja9 h ILE 236 Cb 1.14 0.86 -0.09 0.00 -0.74 0.00 0.00 36.82 37.99 1ja9 h ILE 236 CO 0.11 0.05 0.51 0.44 0.00 0.00 0.00 178.15 179.27 1ja9 h ASP 237 N -0.54 0.69 -0.15 1.72 3.32 -0.78 0.51 116.42 121.20 1ja9 h ASP 237 Ca -0.04 0.07 -0.15 0.00 0.02 0.00 0.00 57.03 56.93 1ja9 h ASP 237 Cb 0.40 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1ja9 h ASP 237 CO 0.07 0.33 -0.42 -0.33 -1.72 0.00 0.00 179.24 177.18 1ja9 h GLU 238 N 0.77 0.69 -0.34 3.56 5.08 -1.11 -0.45 114.58 122.78 1ja9 h GLU 238 Ca 0.47 -0.36 -0.12 0.00 -1.00 0.00 0.00 59.36 58.35 1ja9 h GLU 238 Cb 0.57 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1ja9 h GLU 238 CO -0.31 0.98 -0.24 0.78 -1.00 0.00 0.00 179.01 179.22 1ja9 h GLY 239 N 0.96 0.83 0.76 -3.84 0.00 -0.03 -1.16 103.07 100.59 1ja9 h GLY 239 Ca 0.04 -0.80 -0.05 0.00 0.00 0.00 0.00 47.33 46.53 1ja9 h GLY 239 CO 0.09 0.72 -0.08 1.41 0.00 0.00 0.00 176.54 178.68 1ja9 h LEU 240 N 0.54 0.34 -1.10 3.11 3.38 -0.87 -2.87 115.31 117.84 1ja9 h LEU 240 Ca 0.07 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.66 1ja9 h LEU 240 Cb 0.80 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 1ja9 h LEU 240 CO 0.06 0.68 0.61 0.00 0.09 0.00 0.00 178.44 179.88 1ja9 h ALA 241 N 0.67 1.42 0.00 1.53 0.00 -1.06 -0.38 119.26 121.44 1ja9 h ALA 241 Ca 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ja9 h ALA 241 Cb 0.56 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ja9 h ALA 241 CO 0.02 0.48 -0.09 -0.91 0.00 0.00 0.00 179.25 178.75 1ja9 h ASN 242 N 1.15 0.00 -0.20 0.00 2.35 -1.11 -1.44 115.58 116.33 1ja9 h ASN 242 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 1ja9 h ASN 242 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1ja9 h ASN 242 CO -0.12 0.09 0.00 0.23 -1.65 0.00 0.00 177.43 175.98 1ja9 n MET 243 N -3.46 1.64 -4.26 0.81 2.81 -0.16 -4.85 117.12 109.65 1ja9 n MET 243 Ca -0.01 -0.98 -0.34 0.00 -1.81 0.00 0.00 57.70 54.56 1ja9 n MET 243 Cb 0.24 -1.33 -0.11 0.00 -0.71 0.00 0.00 33.22 31.31 1ja9 n MET 243 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1ja9 s ASN 244 N -1.37 5.08 0.39 7.83 3.84 -0.54 -4.41 114.94 125.76 1ja9 s ASN 244 Ca 0.28 -0.06 0.11 0.00 0.21 0.00 0.00 52.86 53.40 1ja9 s ASN 244 Cb 0.14 -1.84 0.91 0.00 -0.55 0.00 0.00 41.25 39.91 1ja9 s ASN 244 CO 0.21 0.17 1.92 -0.65 -2.79 0.00 0.00 177.10 175.96 1ja9 h PRO 245 N 6.72 0.56 -0.02 0.43 0.11 -1.79 0.11 132.00 138.12 1ja9 h PRO 245 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1ja9 h PRO 245 Cb 1.18 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1ja9 h PRO 245 CO 0.65 0.37 0.00 1.28 -0.21 0.00 0.00 178.00 180.09 1ja9 n LEU 246 N -4.50 0.25 -3.75 2.35 4.77 -1.26 -4.93 117.00 109.92 1ja9 n LEU 246 Ca 0.14 -0.10 -0.28 0.00 -0.03 0.00 0.00 56.01 55.74 1ja9 n LEU 246 Cb 0.42 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.53 1ja9 n LEU 246 CO 0.32 0.05 0.09 0.29 -1.33 0.00 0.00 177.39 176.81 1ja9 n LYS 247 N -0.70 -5.28 -3.47 3.23 4.76 0.39 -4.95 118.16 112.13 1ja9 n LYS 247 Ca 0.18 0.62 -0.11 0.00 -2.87 0.00 0.00 58.31 56.13 1ja9 n LYS 247 Cb 0.12 -5.49 -0.02 0.00 -1.84 0.00 0.00 35.03 27.80 1ja9 n LYS 247 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1ja9 s ARG 248 N -6.46 1.27 0.44 1.97 1.70 -1.24 -4.83 118.95 111.81 1ja9 s ARG 248 Ca 0.60 -0.50 -0.10 0.00 -0.47 0.00 0.00 55.73 55.26 1ja9 s ARG 248 Cb -0.30 0.56 -0.06 0.00 -0.57 0.00 0.00 34.95 34.58 1ja9 s ARG 248 CO 0.74 -0.56 0.80 0.42 -1.08 0.00 0.00 175.30 175.63 1ja9 s ILE 249 N -3.68 4.78 0.48 4.99 -1.09 -1.26 -4.65 121.20 120.77 1ja9 s ILE 249 Ca 0.03 0.62 -0.13 0.00 -2.23 0.00 0.00 60.65 58.93 1ja9 s ILE 249 Cb -0.01 -3.76 -0.07 0.00 -1.58 0.00 0.00 42.46 37.04 1ja9 s ILE 249 CO -0.10 -0.62 0.89 -0.83 -1.23 0.00 0.00 174.94 173.04 1ja9 s GLY 250 N -3.36 1.93 0.22 6.18 0.00 -1.22 -4.97 107.32 106.10 1ja9 s GLY 250 Ca 0.51 -0.05 0.06 0.00 0.00 0.00 0.00 44.72 45.25 1ja9 s GLY 250 CO 0.35 0.19 -0.08 -0.19 0.00 0.00 0.00 173.10 173.36 1ja9 s TYR 251 N -2.60 1.68 0.39 1.90 1.51 -1.26 -0.88 117.35 118.09 1ja9 s TYR 251 Ca 0.55 -0.71 0.17 0.00 -1.01 0.00 0.00 57.07 56.06 1ja9 s TYR 251 Cb -0.10 -0.89 1.06 0.00 -0.11 0.00 0.00 41.96 41.92 1ja9 s TYR 251 CO 0.35 0.21 1.78 -1.35 -1.11 0.00 0.00 175.55 175.43 1ja9 h PRO 252 N 2.49 0.43 -0.33 -1.71 0.11 -1.88 0.11 132.00 131.22 1ja9 h PRO 252 Ca -0.38 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.67 1ja9 h PRO 252 Cb 1.22 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1ja9 h PRO 252 CO 0.64 0.28 0.08 0.00 -0.21 0.00 0.00 178.00 178.79 1ja9 h ALA 253 N 1.63 1.53 -0.64 -0.75 0.00 -1.93 0.42 119.26 119.51 1ja9 h ALA 253 Ca 0.58 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.29 1ja9 h ALA 253 Cb 1.39 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1ja9 h ALA 253 CO -0.30 0.35 0.15 -0.44 0.00 0.00 0.00 179.25 179.02 1ja9 h ASP 254 N 0.47 0.98 -0.30 0.00 3.32 -1.17 0.10 116.42 119.82 1ja9 h ASP 254 Ca 0.11 -0.24 -0.09 0.00 0.02 0.00 0.00 57.03 56.84 1ja9 h ASP 254 Cb 0.19 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1ja9 h ASP 254 CO -0.00 0.96 -0.16 0.40 -1.72 0.00 0.00 179.24 178.71 1ja9 h ILE 255 N 0.95 1.30 -0.79 0.35 1.08 -1.32 -2.52 117.51 116.55 1ja9 h ILE 255 Ca 0.20 -1.28 -0.02 0.00 -0.39 0.00 0.00 64.86 63.37 1ja9 h ILE 255 Cb 0.36 1.48 -0.04 0.00 -3.07 0.00 0.00 36.82 35.56 1ja9 h ILE 255 CO 0.00 0.41 0.40 1.23 -0.69 0.00 0.00 178.15 179.50 1ja9 h GLY 256 N 0.39 1.20 0.88 5.37 0.00 -0.73 -0.78 103.07 109.40 1ja9 h GLY 256 Ca 0.06 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 1ja9 h GLY 256 CO 0.05 0.54 0.07 3.21 0.00 0.00 0.00 176.54 180.41 1ja9 h ARG 257 N 1.12 0.42 -0.52 4.80 3.08 -0.95 -0.27 114.38 122.06 1ja9 h ARG 257 Ca 0.28 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 1ja9 h ARG 257 Cb 0.08 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1ja9 h ARG 257 CO -0.04 0.51 0.18 0.00 -1.07 0.00 0.00 179.97 179.55 1ja9 h ALA 258 N 0.89 0.68 -0.86 0.04 0.00 -1.13 -1.49 119.26 117.39 1ja9 h ALA 258 Ca 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ja9 h ALA 258 Cb 0.27 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1ja9 h ALA 258 CO 0.00 0.32 0.49 0.28 0.00 0.00 0.00 179.25 180.34 1ja9 h VAL 259 N 0.70 1.24 -0.39 0.00 2.07 -1.09 -1.17 116.25 117.61 1ja9 h VAL 259 Ca 0.17 -0.58 0.04 0.00 0.82 0.00 0.00 66.70 67.15 1ja9 h VAL 259 Cb 0.25 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.04 1ja9 h VAL 259 CO -0.01 0.27 0.17 0.28 0.02 0.00 0.00 177.57 178.30 1ja9 h SER 260 N 1.20 0.23 -0.89 0.57 0.02 -0.45 0.18 113.55 114.41 1ja9 h SER 260 Ca 0.31 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.27 1ja9 h SER 260 Cb -0.01 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 1ja9 h SER 260 CO -0.05 0.17 0.50 0.00 -1.14 0.00 0.00 176.83 176.31 1ja9 h ALA 261 N 1.23 1.14 0.00 3.77 0.00 -0.76 -1.87 119.26 122.78 1ja9 h ALA 261 Ca 0.17 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1ja9 h ALA 261 Cb 0.11 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1ja9 h ALA 261 CO -0.15 0.64 -0.24 -0.07 0.00 0.00 0.00 179.25 179.44 1ja9 h LEU 262 N 1.24 0.00 0.00 0.00 3.38 -0.54 -2.41 115.31 116.99 1ja9 h LEU 262 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1ja9 h LEU 262 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1ja9 h LEU 262 CO -0.05 0.24 -0.03 0.00 0.09 0.00 0.00 178.44 178.69 1ja9 s GLN 264 N -3.05 2.73 0.39 0.00 -0.21 -0.91 -4.92 119.66 113.69 1ja9 s GLN 264 Ca 0.12 1.28 0.08 0.00 0.02 0.00 0.00 55.36 56.86 1ja9 s GLN 264 Cb 0.16 -1.95 0.84 0.00 1.00 0.00 0.00 33.01 33.06 1ja9 s GLN 264 CO 0.57 -1.29 1.98 0.93 -2.12 0.00 0.00 175.29 175.36 1ja9 h GLU 265 N -0.28 0.60 -0.14 2.91 5.08 -1.90 -2.32 114.58 118.54 1ja9 h GLU 265 Ca -0.46 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 57.91 1ja9 h GLU 265 Cb 1.24 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1ja9 h GLU 265 CO 0.54 0.40 0.23 0.93 -1.00 0.00 0.00 179.01 180.11 1ja9 h GLU 266 N 0.62 0.00 -0.26 2.33 3.07 -1.91 -1.57 114.58 116.86 1ja9 h GLU 266 Ca 0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 1ja9 h GLU 266 Cb 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1ja9 h GLU 266 CO -0.08 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.40 1ja9 n SER 267 N -3.49 1.72 -0.31 1.42 3.41 -0.87 -4.51 113.62 110.98 1ja9 n SER 267 Ca 0.01 -1.86 0.19 0.00 -0.26 0.00 0.00 58.87 56.95 1ja9 n SER 267 Cb 0.33 -0.17 0.45 0.00 -0.26 0.00 0.00 64.21 64.56 1ja9 n SER 267 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1ja9 h GLU 268 N 2.05 0.50 0.00 4.33 4.57 -1.45 -0.51 114.58 124.06 1ja9 h GLU 268 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1ja9 h GLU 268 Cb 0.46 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1ja9 h GLU 268 CO 0.00 0.33 0.00 1.87 -1.18 0.00 0.00 179.01 180.03 1ja9 n TRP 269 N -4.65 0.00 -3.12 0.92 -0.00 -1.26 -4.51 117.44 104.82 1ja9 n TRP 269 Ca 0.23 0.00 -0.43 0.00 -0.00 0.00 0.00 57.50 57.30 1ja9 n TRP 269 Cb 0.74 -0.25 -0.07 0.00 -0.00 0.00 0.00 31.31 31.73 1ja9 n TRP 269 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 1ja9 s ILE 270 N -2.50 4.84 -0.14 5.87 1.01 -0.20 -5.02 121.20 125.06 1ja9 s ILE 270 Ca 0.30 0.06 -0.10 0.00 0.00 0.00 0.00 60.65 60.91 1ja9 s ILE 270 Cb 0.20 -4.20 0.04 0.00 0.01 0.00 0.00 42.46 38.51 1ja9 s ILE 270 CO 0.43 -0.60 0.35 0.21 0.00 0.00 0.00 174.94 175.34 1ja9 s ASN 271 N 2.01 -0.39 -0.51 3.58 2.47 -1.26 -4.77 114.94 116.06 1ja9 s ASN 271 Ca 0.22 0.73 0.00 0.00 0.42 0.00 0.00 52.86 54.23 1ja9 s ASN 271 Cb -0.14 0.68 0.00 0.00 -1.45 0.00 0.00 41.25 40.33 1ja9 s ASN 271 CO 0.18 -0.15 0.00 0.61 -3.72 0.00 0.00 177.10 174.02 1ja9 n GLY 272 N 3.56 0.41 3.59 1.21 0.00 0.11 -4.97 105.19 109.10 1ja9 n GLY 272 Ca -0.18 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 1ja9 n GLY 272 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ja9 s GLN 273 N -3.53 2.35 -0.34 1.61 -1.52 -1.25 -4.48 119.66 112.49 1ja9 s GLN 273 Ca 0.00 -0.88 -0.13 0.00 -1.95 0.00 0.00 55.36 52.40 1ja9 s GLN 273 Cb 0.00 -2.41 -0.02 0.00 -0.22 0.00 0.00 33.01 30.37 1ja9 s GLN 273 CO 0.00 0.55 0.24 0.08 -0.25 0.00 0.00 175.29 175.91 1ja9 s VAL 274 N -1.12 5.28 -0.24 1.09 1.01 -1.26 -0.41 120.40 124.75 1ja9 s VAL 274 Ca 0.20 -0.24 -0.05 0.00 0.00 0.00 0.00 61.98 61.89 1ja9 s VAL 274 Cb -0.11 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 1ja9 s VAL 274 CO 0.11 -0.02 -0.00 -0.63 0.00 0.00 0.00 175.10 174.56 1ja9 s ILE 275 N 1.72 3.67 0.06 2.22 1.01 0.17 -4.96 121.20 125.09 1ja9 s ILE 275 Ca 0.06 -0.44 -0.30 0.00 0.00 0.00 0.00 60.65 59.97 1ja9 s ILE 275 Cb -0.17 -2.71 -0.05 0.00 0.01 0.00 0.00 42.46 39.53 1ja9 s ILE 275 CO 0.10 0.36 1.15 -0.54 0.00 0.00 0.00 174.94 176.01 1ja9 s LYS 276 N 1.51 4.47 -0.56 2.79 1.02 -1.26 -0.65 119.74 127.07 1ja9 s LYS 276 Ca 0.05 1.70 0.01 0.00 0.02 0.00 0.00 55.97 57.75 1ja9 s LYS 276 Cb -0.15 -3.36 0.14 0.00 -0.52 0.00 0.00 37.83 33.95 1ja9 s LYS 276 CO -0.01 -0.18 0.33 -0.51 -0.92 0.00 0.00 175.35 174.06 1ja9 s LEU 277 N 0.89 4.75 0.00 3.17 1.43 -0.28 -4.86 118.68 123.78 1ja9 s LEU 277 Ca 0.56 -2.91 0.00 0.00 -1.03 0.00 0.00 54.13 50.76 1ja9 s LEU 277 Cb -0.28 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1ja9 s LEU 277 CO 0.30 -0.30 0.12 0.35 0.23 0.00 0.00 176.35 177.04 1ja9 n THR 278 N 3.33 0.00 -0.96 5.49 -2.24 -1.26 -1.39 114.28 117.25 1ja9 n THR 278 Ca 0.06 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1ja9 n THR 278 Cb 0.35 1.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 1ja9 n THR 278 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ja9 n GLY 279 N 0.22 0.13 0.86 3.38 0.00 -1.26 -0.97 105.19 107.55 1ja9 n GLY 279 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ja9 n GLY 279 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ja9 n GLY 280 N -0.19 0.70 0.00 -0.02 0.00 -1.26 -4.27 105.19 100.15 1ja9 n GLY 280 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ja9 n GLY 280 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ja9 n GLY 281 N -2.08 2.56 0.00 -0.02 0.00 -0.15 -4.50 105.19 101.00 1ja9 n GLY 281 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.24 1ja9 n GLY 281 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61