#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jrm n TYR 8 N 0.00 2.21 0.00 0.00 4.01 -1.26 -4.51 117.16 117.60 3jrm n TYR 8 Ca 0.00 -1.40 0.00 0.00 -0.16 0.00 0.00 57.90 56.34 3jrm n TYR 8 Cb 0.00 -0.73 0.00 0.00 -0.31 0.00 0.00 39.34 38.30 3jrm n TYR 8 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3jrm n ASP 9 N -0.59 0.03 -0.03 7.72 2.03 -1.26 -4.46 116.55 119.99 3jrm n ASP 9 Ca 0.42 -0.18 0.01 0.00 0.52 0.00 0.00 54.79 55.56 3jrm n ASP 9 Cb 1.33 0.36 -0.01 0.00 -0.72 0.00 0.00 41.12 42.09 3jrm n ASP 9 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3jrm n ARG 10 N -0.37 4.29 -3.74 -0.67 5.12 -1.26 -4.43 116.66 115.60 3jrm n ARG 10 Ca 0.00 -0.19 -0.18 0.00 -1.93 0.00 0.00 57.85 55.55 3jrm n ARG 10 Cb 0.00 -0.73 -0.17 0.00 -1.16 0.00 0.00 32.46 30.40 3jrm n ARG 10 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3jrm s ALA 11 N -0.91 0.22 0.66 7.54 0.00 -1.26 -5.02 121.76 122.99 3jrm s ALA 11 Ca 0.01 0.20 0.31 0.00 0.00 0.00 0.00 51.96 52.48 3jrm s ALA 11 Cb 0.02 -0.48 1.67 0.00 0.00 0.00 0.00 23.12 24.33 3jrm s ALA 11 CO 0.07 -0.32 1.96 0.97 0.00 0.00 0.00 175.76 178.43 3jrm h ILE 12 N 6.36 0.05 -0.40 0.00 6.09 -1.93 -2.18 117.51 125.50 3jrm h ILE 12 Ca -0.27 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.22 3jrm h ILE 12 Cb 1.12 0.69 0.00 0.00 0.47 0.00 0.00 36.82 39.10 3jrm h ILE 12 CO 0.30 0.00 0.00 0.35 -3.07 0.00 0.00 178.15 175.73 3jrm n THR 13 N -3.01 0.52 -3.88 2.19 -2.24 -1.26 -4.67 114.28 101.92 3jrm n THR 13 Ca -0.01 -0.71 -0.36 0.00 -2.27 0.00 0.00 64.05 60.70 3jrm n THR 13 Cb 0.38 0.82 -0.12 0.00 -2.10 0.00 0.00 70.33 69.31 3jrm n THR 13 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3jrm s VAL 14 N -1.48 4.33 0.23 2.28 1.01 -0.82 -5.09 120.40 120.87 3jrm s VAL 14 Ca 0.39 -0.17 -0.26 0.00 0.00 0.00 0.00 61.98 61.93 3jrm s VAL 14 Cb 0.22 -3.00 -0.09 0.00 0.00 0.00 0.00 36.38 33.52 3jrm s VAL 14 CO 0.31 0.38 0.86 -0.36 0.00 0.00 0.00 175.10 176.28 3jrm s PHE 15 N 1.24 3.84 0.85 5.22 0.08 -1.26 -4.69 117.98 123.25 3jrm s PHE 15 Ca 0.04 1.71 -0.11 0.00 0.12 0.00 0.00 56.93 58.69 3jrm s PHE 15 Cb -0.15 -2.84 0.10 0.00 -0.57 0.00 0.00 43.02 39.56 3jrm s PHE 15 CO 0.03 0.40 1.09 -1.54 -0.10 0.00 0.00 175.22 175.10 3jrm s SER 16 N -1.35 3.96 0.62 1.36 1.04 -0.42 -4.88 113.70 114.04 3jrm s SER 16 Ca 0.42 1.45 0.33 0.00 0.48 0.00 0.00 55.95 58.63 3jrm s SER 16 Cb -0.22 -2.16 1.83 0.00 0.10 0.00 0.00 66.02 65.58 3jrm s SER 16 CO 0.26 -2.32 2.13 -0.65 0.98 0.00 0.00 173.24 173.64 3jrm h PRO 17 N -1.33 0.00 -0.12 4.02 0.11 -1.97 -1.04 132.00 131.68 3jrm h PRO 17 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3jrm h PRO 17 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3jrm h PRO 17 CO 0.56 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.10 3jrm n ASP 18 N -3.44 1.52 -0.47 -2.05 8.00 -1.26 -4.94 116.55 113.91 3jrm n ASP 18 Ca -0.00 -1.63 0.00 0.00 0.71 0.00 0.00 54.79 53.87 3jrm n ASP 18 Cb 0.28 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 3jrm n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jrm n GLY 19 N 1.12 0.94 3.61 0.44 0.00 -0.39 -5.07 105.19 105.84 3jrm n GLY 19 Ca 0.17 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 3jrm n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jrm s ARG 20 N -4.47 2.20 -0.58 1.61 0.52 -1.26 -4.86 118.95 112.12 3jrm s ARG 20 Ca 0.00 -1.15 0.04 0.00 -0.52 0.00 0.00 55.73 54.10 3jrm s ARG 20 Cb 0.00 -2.27 0.14 0.00 0.52 0.00 0.00 34.95 33.34 3jrm s ARG 20 CO 0.00 0.46 0.33 -0.51 0.02 0.00 0.00 175.30 175.60 3jrm s LEU 21 N -2.70 4.49 0.25 2.53 1.43 -1.26 -1.30 118.68 122.11 3jrm s LEU 21 Ca 0.25 -3.26 -0.04 0.00 -1.03 0.00 0.00 54.13 50.04 3jrm s LEU 21 Cb -0.10 -1.65 0.30 0.00 0.03 0.00 0.00 46.19 44.77 3jrm s LEU 21 CO 0.16 -0.19 1.83 -0.26 0.23 0.00 0.00 176.35 178.12 3jrm h PHE 22 N 6.18 1.07 -0.54 0.29 0.04 -1.84 -0.63 116.94 121.51 3jrm h PHE 22 Ca -0.01 -0.06 0.04 0.00 2.80 0.00 0.00 57.97 60.73 3jrm h PHE 22 Cb 0.85 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 38.65 3jrm h PHE 22 CO 0.57 0.80 0.36 0.37 -0.60 0.00 0.00 178.31 179.81 3jrm h GLN 23 N 1.04 0.58 -0.49 1.51 5.75 -1.86 0.27 115.11 121.91 3jrm h GLN 23 Ca 0.25 -0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.60 3jrm h GLN 23 Cb 0.17 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 3jrm h GLN 23 CO -0.02 0.39 -0.14 0.28 -2.65 0.00 0.00 178.83 176.68 3jrm h VAL 24 N 0.60 1.27 -0.07 2.39 2.07 -1.50 -1.58 116.25 119.43 3jrm h VAL 24 Ca 0.22 -1.27 -0.10 0.00 0.82 0.00 0.00 66.70 66.37 3jrm h VAL 24 Cb 0.13 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3jrm h VAL 24 CO -0.06 0.44 -0.40 -0.33 0.02 0.00 0.00 177.57 177.25 3jrm h GLU 25 N 0.83 0.15 -0.26 1.57 5.08 -0.45 -2.04 114.58 119.45 3jrm h GLU 25 Ca 0.13 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.25 3jrm h GLU 25 Cb 0.68 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3jrm h GLU 25 CO 0.05 0.52 -0.50 1.88 -1.00 0.00 0.00 179.01 179.96 3jrm h TYR 26 N 0.12 1.01 -0.99 4.33 0.99 -0.40 -2.67 116.97 119.37 3jrm h TYR 26 Ca 0.01 -0.36 0.19 0.00 2.00 0.00 0.00 58.73 60.57 3jrm h TYR 26 Cb 0.76 -0.19 -0.10 0.00 1.00 0.00 0.00 36.73 38.21 3jrm h TYR 26 CO 0.01 1.17 0.61 0.00 -0.00 0.00 0.00 178.16 179.96 3jrm h ALA 27 N 0.65 1.78 0.00 3.88 0.00 -0.84 0.11 119.26 124.84 3jrm h ALA 27 Ca 0.01 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3jrm h ALA 27 Cb 1.11 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3jrm h ALA 27 CO 0.11 -0.12 -0.14 0.00 0.00 0.00 0.00 179.25 179.10 3jrm h ARG 28 N 0.71 0.00 0.00 0.00 3.08 -1.04 -1.93 114.38 115.19 3jrm h ARG 28 Ca 0.55 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.48 3jrm h ARG 28 Cb 0.93 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.96 3jrm h ARG 28 CO -0.32 0.14 -0.54 0.93 -1.07 0.00 0.00 179.97 179.10 3jrm h GLU 29 N 0.00 0.00 -0.83 0.04 4.39 -0.62 -2.89 114.58 114.67 3jrm h GLU 29 Ca -0.00 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.76 3jrm h GLU 29 Cb 0.33 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.93 3jrm h GLU 29 CO 0.02 0.54 0.54 0.00 -1.16 0.00 0.00 179.01 178.96 3jrm h ALA 30 N 1.46 1.58 -0.34 3.43 0.00 -1.13 -2.67 119.26 121.59 3jrm h ALA 30 Ca -0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3jrm h ALA 30 Cb 1.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3jrm h ALA 30 CO 0.07 0.29 -0.03 0.28 0.00 0.00 0.00 179.25 179.87 3jrm h VAL 31 N 0.93 1.21 0.00 0.00 2.07 -1.53 -2.54 116.25 116.39 3jrm h VAL 31 Ca 0.36 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 3jrm h VAL 31 Cb 0.21 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3jrm h VAL 31 CO -0.13 0.29 -0.07 0.11 0.02 0.00 0.00 177.57 177.79 3jrm h LYS 32 N 0.51 0.00 -0.00 1.57 1.57 -1.52 -2.05 116.57 116.66 3jrm h LYS 32 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3jrm h LYS 32 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3jrm h LYS 32 CO 0.01 0.07 -0.01 1.63 -0.57 0.00 0.00 179.45 180.58 3jrm n LYS 33 N -3.45 0.44 -2.44 3.15 5.02 -0.95 -2.74 118.16 117.18 3jrm n LYS 33 Ca -0.02 -0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 55.96 3jrm n LYS 33 Cb 0.21 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.71 3jrm n LYS 33 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3jrm s GLY 34 N -2.58 1.73 0.58 0.72 0.00 -0.77 -4.88 107.32 102.12 3jrm s GLY 34 Ca 0.28 -0.22 -0.16 0.00 0.00 0.00 0.00 44.72 44.62 3jrm s GLY 34 CO 0.47 -0.00 1.05 -1.35 0.00 0.00 0.00 173.10 173.26 3jrm s SER 35 N -3.76 5.88 0.36 1.64 1.04 -1.26 -0.54 113.70 117.07 3jrm s SER 35 Ca 0.52 1.81 -0.26 0.00 0.48 0.00 0.00 55.95 58.50 3jrm s SER 35 Cb -0.10 -2.53 -0.09 0.00 0.10 0.00 0.00 66.02 63.39 3jrm s SER 35 CO 0.42 -1.10 1.14 -0.89 0.98 0.00 0.00 173.24 173.80 3jrm s THR 36 N -2.42 3.29 0.09 2.02 2.01 -1.26 -4.54 115.64 114.83 3jrm s THR 36 Ca 0.64 1.15 0.00 0.00 0.31 0.00 0.00 61.69 63.79 3jrm s THR 36 Cb -0.16 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 3jrm s THR 36 CO 0.35 0.16 -0.03 0.00 -0.69 0.00 0.00 174.62 174.41 3jrm s ALA 37 N -1.36 0.82 0.14 7.40 0.00 -0.44 -1.17 121.76 127.15 3jrm s ALA 37 Ca 0.53 -1.34 -0.14 0.00 0.00 0.00 0.00 51.96 51.01 3jrm s ALA 37 Cb -0.30 0.34 0.02 0.00 0.00 0.00 0.00 23.12 23.18 3jrm s ALA 37 CO 0.39 -0.33 0.37 -0.48 0.00 0.00 0.00 175.76 175.71 3jrm s LEU 38 N -3.01 0.57 0.02 0.00 0.05 0.63 -1.48 118.68 115.45 3jrm s LEU 38 Ca 0.13 -0.46 -0.02 0.00 0.05 0.00 0.00 54.13 53.83 3jrm s LEU 38 Cb 0.07 1.69 -0.02 0.00 -2.05 0.00 0.00 46.19 45.88 3jrm s LEU 38 CO -0.05 -0.87 0.01 -0.83 -0.55 0.00 0.00 176.35 174.06 3jrm s GLY 39 N -2.84 0.22 -0.04 -3.48 0.00 -0.68 -0.62 107.32 99.88 3jrm s GLY 39 Ca 0.06 -0.57 -0.09 0.00 0.00 0.00 0.00 44.72 44.12 3jrm s GLY 39 CO -0.09 -0.66 0.21 -3.16 0.00 0.00 0.00 173.10 169.40 3jrm s MET 40 N -1.81 0.42 0.31 2.90 0.23 -0.88 -1.74 119.30 118.74 3jrm s MET 40 Ca -0.12 -0.05 -0.28 0.00 -1.03 0.00 0.00 55.69 54.21 3jrm s MET 40 Cb -0.07 0.18 -0.09 0.00 -1.53 0.00 0.00 34.83 33.32 3jrm s MET 40 CO -0.02 -0.09 1.09 0.15 -2.03 0.00 0.00 175.02 174.12 3jrm s LYS 41 N -0.70 4.50 0.00 3.16 1.02 0.48 -1.36 119.74 126.84 3jrm s LYS 41 Ca -0.08 1.74 0.00 0.00 0.02 0.00 0.00 55.97 57.65 3jrm s LYS 41 Cb -0.04 -3.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 3jrm s LYS 41 CO 0.01 0.10 0.00 1.97 -0.92 0.00 0.00 175.35 176.52 3jrm n PHE 42 N 0.84 0.00 -1.54 3.18 1.16 -0.22 -4.64 117.46 116.24 3jrm n PHE 42 Ca 0.01 0.00 -0.45 0.00 -1.87 0.00 0.00 57.45 55.13 3jrm n PHE 42 Cb 0.46 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.28 3jrm n PHE 42 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3jrm n ALA 43 N -3.00 1.46 -3.04 1.98 0.00 -0.11 -2.24 120.51 115.57 3jrm n ALA 43 Ca 0.00 -0.23 -0.22 0.00 0.00 0.00 0.00 53.44 53.00 3jrm n ALA 43 Cb 0.00 -2.80 0.02 0.00 0.00 0.00 0.00 19.45 16.67 3jrm n ALA 43 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3jrm n ASN 44 N 11.30 -5.16 -3.31 0.00 5.03 -1.26 -4.84 115.26 117.02 3jrm n ASN 44 Ca 0.35 -0.26 -0.01 0.00 0.87 0.00 0.00 54.58 55.54 3jrm n ASN 44 Cb 0.37 -4.21 0.02 0.00 -1.02 0.00 0.00 39.78 34.93 3jrm n ASN 44 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3jrm n GLY 45 N -1.32 0.49 3.32 7.41 0.00 -0.95 -0.08 105.19 114.06 3jrm n GLY 45 Ca -0.09 -1.09 -0.15 0.00 0.00 0.00 0.00 46.02 44.69 3jrm n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jrm s VAL 46 N -2.07 0.04 0.11 1.61 0.11 -0.77 -1.06 120.40 118.37 3jrm s VAL 46 Ca 0.24 -0.33 -0.01 0.00 -2.93 0.00 0.00 61.98 58.95 3jrm s VAL 46 Cb -0.02 -0.72 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 3jrm s VAL 46 CO 0.03 -0.18 0.02 -1.48 -3.33 0.00 0.00 175.10 170.16 3jrm s LEU 47 N -1.23 2.01 -0.01 2.54 0.05 -0.46 -2.13 118.68 119.44 3jrm s LEU 47 Ca -0.12 -1.15 0.03 0.00 0.05 0.00 0.00 54.13 52.94 3jrm s LEU 47 Cb -0.04 0.22 -0.00 0.00 -2.05 0.00 0.00 46.19 44.32 3jrm s LEU 47 CO 0.06 -0.67 -0.09 -0.76 -0.55 0.00 0.00 176.35 174.34 3jrm s LEU 48 N -3.03 1.95 -0.04 1.48 1.43 -0.19 -2.07 118.68 118.22 3jrm s LEU 48 Ca 0.19 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 3jrm s LEU 48 Cb 0.07 -0.47 0.01 0.00 0.03 0.00 0.00 46.19 45.83 3jrm s LEU 48 CO -0.01 0.10 -0.09 -0.63 0.23 0.00 0.00 176.35 175.94 3jrm s ILE 49 N -0.10 0.85 -0.09 -0.59 1.01 0.21 -1.73 121.20 120.76 3jrm s ILE 49 Ca 0.02 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.32 3jrm s ILE 49 Cb -0.05 -0.78 0.02 0.00 0.01 0.00 0.00 42.46 41.66 3jrm s ILE 49 CO -0.00 0.28 -0.11 -0.55 0.00 0.00 0.00 174.94 174.55 3jrm s SER 50 N 0.45 2.05 0.52 3.58 0.15 -0.53 -0.27 113.70 119.64 3jrm s SER 50 Ca -0.08 -0.33 -0.21 0.00 0.70 0.00 0.00 55.95 56.03 3jrm s SER 50 Cb -0.12 -0.88 -0.06 0.00 -1.71 0.00 0.00 66.02 63.25 3jrm s SER 50 CO 0.01 -0.03 1.23 -0.62 1.20 0.00 0.00 173.24 175.03 3jrm s ASP 51 N 1.12 5.68 -0.21 5.45 2.15 -0.32 -1.29 116.67 129.26 3jrm s ASP 51 Ca -0.05 2.44 0.01 0.00 0.43 0.00 0.00 52.55 55.38 3jrm s ASP 51 Cb -0.14 -2.61 0.05 0.00 -0.30 0.00 0.00 42.92 39.91 3jrm s ASP 51 CO -0.02 -1.26 -0.09 -0.54 -0.17 0.00 0.00 175.17 173.09 3jrm s LYS 52 N -2.93 1.92 -0.91 4.34 1.02 -1.26 -4.66 119.74 117.27 3jrm s LYS 52 Ca 0.69 -0.89 -0.26 0.00 0.02 0.00 0.00 55.97 55.53 3jrm s LYS 52 Cb -0.32 -2.46 -0.17 0.00 -0.52 0.00 0.00 37.83 34.36 3jrm s LYS 52 CO 0.37 -0.47 2.29 -1.59 -0.92 0.00 0.00 175.35 175.03 3jrm s LYS 53 N 1.39 1.46 0.23 1.68 -2.85 -1.26 -4.91 119.74 115.48 3jrm s LYS 53 Ca -0.03 0.12 -0.30 0.00 -1.00 0.00 0.00 55.97 54.76 3jrm s LYS 53 Cb -0.17 -4.87 -0.09 0.00 -2.06 0.00 0.00 37.83 30.65 3jrm s LYS 53 CO -0.08 -4.83 1.02 0.08 0.10 0.00 0.00 175.35 171.65 3jrm s VAL 54 N 15.54 3.87 0.00 1.79 1.01 -1.26 -4.95 120.40 136.40 3jrm s VAL 54 Ca 0.88 1.81 0.00 0.00 0.00 0.00 0.00 61.98 64.67 3jrm s VAL 54 Cb -0.10 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.13 3jrm s VAL 54 CO 0.11 0.40 0.60 -2.11 0.00 0.00 0.00 175.10 174.10 3jrm n ARG 55 N 1.63 0.00 0.00 2.72 -4.01 -1.26 -5.10 116.66 110.64 3jrm n ARG 55 Ca -0.01 -0.48 0.00 0.00 -1.04 0.00 0.00 57.85 56.32 3jrm n ARG 55 Cb 0.46 -0.30 0.00 0.00 -3.04 0.00 0.00 32.46 29.58 3jrm n ARG 55 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 3jrm n SER 56 N 0.00 0.00 0.12 2.89 2.88 -1.26 -4.98 113.62 113.27 3jrm n SER 56 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 3jrm n SER 56 Cb 0.57 0.00 0.42 0.00 -0.75 0.00 0.00 64.21 64.45 3jrm n SER 56 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 3jrm h ARG 57 N 0.00 0.00 0.00 -1.46 0.11 -2.05 -3.12 114.38 107.86 3jrm h ARG 57 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3jrm h ARG 57 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 3jrm h ARG 57 CO 0.00 0.00 0.00 -0.07 0.10 0.00 0.00 179.97 180.00 3jrm h LEU 58 N 0.00 0.00-10.06 0.08 3.38 -2.06 -3.45 115.31 103.19 3jrm h LEU 58 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 3jrm h LEU 58 Cb 0.66 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.47 3jrm h LEU 58 CO 0.00 0.00 0.43 -0.63 0.09 0.00 0.00 178.44 178.33 3jrm s ILE 59 N -3.40 3.30 -0.33 1.22 -1.09 -1.18 -5.01 121.20 114.70 3jrm s ILE 59 Ca 0.04 0.84 -0.23 0.00 -2.23 0.00 0.00 60.65 59.08 3jrm s ILE 59 Cb 0.09 -3.36 0.00 0.00 -1.58 0.00 0.00 42.46 37.61 3jrm s ILE 59 CO 0.54 -0.14 0.75 -1.61 -1.23 0.00 0.00 174.94 173.24 3jrm s GLU 60 N -3.15 3.86 -0.08 2.79 0.41 -1.26 -4.97 118.70 116.30 3jrm s GLU 60 Ca 0.70 0.40 -0.20 0.00 -0.41 0.00 0.00 54.97 55.45 3jrm s GLU 60 Cb -0.23 -3.76 -0.16 0.00 -1.78 0.00 0.00 34.13 28.20 3jrm s GLU 60 CO 0.27 -0.72 0.73 0.37 -0.49 0.00 0.00 175.26 175.41 3jrm h GLN 61 N 8.28 -0.11 0.00 1.61 -0.00 -1.95 -3.28 115.11 119.67 3jrm h GLN 61 Ca -0.25 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.41 3jrm h GLN 61 Cb 1.10 0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.61 3jrm h GLN 61 CO 0.87 0.41 0.16 -2.95 0.00 0.00 0.00 178.83 177.32 3jrm h ASN 62 N -0.90 0.00 0.00 -0.69 7.08 -2.05 -3.36 115.58 115.66 3jrm h ASN 62 Ca -0.01 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.21 3jrm h ASN 62 Cb 0.57 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.81 3jrm h ASN 62 CO 0.02 0.00 0.00 -0.24 -2.08 0.00 0.00 177.43 175.13 3jrm n SER 63 N -2.62 0.00 -3.17 6.14 2.88 -1.23 -4.95 113.62 110.66 3jrm n SER 63 Ca -0.02 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 57.07 3jrm n SER 63 Cb 0.20 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.59 3jrm n SER 63 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3jrm n ILE 64 N 0.00 0.00 -3.60 2.46 -6.64 -1.25 -4.95 119.36 105.37 3jrm n ILE 64 Ca 0.00 0.00 -0.16 0.00 -1.77 0.00 0.00 62.75 60.82 3jrm n ILE 64 Cb 0.00 -0.34 -0.07 0.00 -1.44 0.00 0.00 39.64 37.79 3jrm n ILE 64 CO 0.00 0.00 0.00 -1.83 -1.77 0.00 0.00 176.55 172.95 3jrm s GLU 65 N 2.54 0.89 0.14 6.28 -1.05 -1.26 -4.93 118.70 121.32 3jrm s GLU 65 Ca 0.74 0.35 0.09 0.00 -0.15 0.00 0.00 54.97 56.00 3jrm s GLU 65 Cb -1.03 0.42 -0.16 0.00 -0.44 0.00 0.00 34.13 32.92 3jrm s GLU 65 CO 0.53 -0.23 1.28 0.87 0.95 0.00 0.00 175.26 178.66 3jrm h LYS 66 N 3.77 0.00 -6.45 -4.83 1.57 -1.93 -3.43 116.57 105.27 3jrm h LYS 66 Ca -0.28 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.97 3jrm h LYS 66 Cb 1.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 3jrm h LYS 66 CO 0.31 0.89 0.37 0.42 -0.57 0.00 0.00 179.45 180.87 3jrm s ILE 67 N -2.75 4.75 -0.05 1.86 1.01 -1.26 -3.93 121.20 120.83 3jrm s ILE 67 Ca 0.01 2.05 0.01 0.00 0.00 0.00 0.00 60.65 62.72 3jrm s ILE 67 Cb 0.09 -4.31 0.02 0.00 0.01 0.00 0.00 42.46 38.28 3jrm s ILE 67 CO 0.81 0.20 -0.05 -1.10 0.00 0.00 0.00 174.94 174.79 3jrm s GLN 68 N 0.74 0.96 0.19 2.79 -1.52 0.19 -4.98 119.66 118.02 3jrm s GLN 68 Ca 0.51 -0.14 -0.30 0.00 -1.95 0.00 0.00 55.36 53.48 3jrm s GLN 68 Cb -0.22 -0.95 -0.08 0.00 -0.22 0.00 0.00 33.01 31.54 3jrm s GLN 68 CO 0.29 -0.09 1.29 -0.51 -0.25 0.00 0.00 175.29 176.02 3jrm s LEU 69 N 0.98 4.42 -0.17 2.90 1.43 -1.26 -0.78 118.68 126.20 3jrm s LEU 69 Ca -0.10 2.36 -0.06 0.00 -1.03 0.00 0.00 54.13 55.30 3jrm s LEU 69 Cb -0.14 -3.61 -0.23 0.00 0.03 0.00 0.00 46.19 42.24 3jrm s LEU 69 CO -0.00 -0.51 0.18 -0.38 0.23 0.00 0.00 176.35 175.87 3jrm n ILE 70 N 2.73 1.69 -2.68 -0.59 2.08 0.16 -4.91 119.36 117.84 3jrm n ILE 70 Ca 0.06 -0.58 0.00 0.00 0.56 0.00 0.00 62.75 62.79 3jrm n ILE 70 Cb 0.43 -1.68 0.00 0.00 -0.75 0.00 0.00 39.64 37.64 3jrm n ILE 70 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 3jrm n ASP 71 N -3.52 0.00 0.21 4.38 3.85 -0.93 -4.73 116.55 115.81 3jrm n ASP 71 Ca -0.36 -0.09 0.15 0.00 -0.71 0.00 0.00 54.79 53.77 3jrm n ASP 71 Cb 1.00 0.00 0.54 0.00 -1.35 0.00 0.00 41.12 41.31 3jrm n ASP 71 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 3jrm h ASP 72 N 0.00 0.00 -0.06 -1.12 3.32 -2.00 -3.23 116.42 113.33 3jrm h ASP 72 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3jrm h ASP 72 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3jrm h ASP 72 CO 0.00 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.30 3jrm n TYR 73 N -2.73 0.08 -3.73 4.55 4.02 -1.26 -1.46 117.16 116.63 3jrm n TYR 73 Ca 0.02 -0.23 -0.12 0.00 -0.01 0.00 0.00 57.90 57.56 3jrm n TYR 73 Cb 0.32 -0.02 -0.13 0.00 -0.02 0.00 0.00 39.34 39.49 3jrm n TYR 73 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3jrm s VAL 74 N -0.65 -0.03 0.16 -0.72 1.01 -1.22 -1.82 120.40 117.12 3jrm s VAL 74 Ca 0.07 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.22 3jrm s VAL 74 Cb 0.04 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.97 3jrm s VAL 74 CO 0.06 0.05 -0.09 0.00 0.00 0.00 0.00 175.10 175.12 3jrm s ALA 75 N 1.14 1.51 0.02 5.51 0.00 -0.12 0.36 121.76 130.18 3jrm s ALA 75 Ca -0.08 -1.53 0.01 0.00 0.00 0.00 0.00 51.96 50.36 3jrm s ALA 75 Cb -0.09 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 3jrm s ALA 75 CO -0.08 -0.12 -0.05 0.00 0.00 0.00 0.00 175.76 175.52 3jrm s ALA 76 N -3.33 0.35 0.11 0.00 0.00 0.04 -1.38 121.76 117.54 3jrm s ALA 76 Ca 0.18 -0.43 0.08 0.00 0.00 0.00 0.00 51.96 51.80 3jrm s ALA 76 Cb 0.03 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 3jrm s ALA 76 CO 0.02 -0.00 -0.16 0.14 0.00 0.00 0.00 175.76 175.76 3jrm s VAL 77 N -0.76 2.97 0.19 0.00 -7.23 -0.37 -0.64 120.40 114.56 3jrm s VAL 77 Ca -0.06 -1.42 0.06 0.00 -1.81 0.00 0.00 61.98 58.75 3jrm s VAL 77 Cb -0.06 -2.36 -0.05 0.00 0.56 0.00 0.00 36.38 34.48 3jrm s VAL 77 CO -0.00 0.12 -0.12 0.42 -0.31 0.00 0.00 175.10 175.21 3jrm s THR 78 N -1.14 1.48 -0.10 5.32 -4.23 -1.25 -0.70 115.64 115.00 3jrm s THR 78 Ca 0.18 -2.14 -0.07 0.00 -1.18 0.00 0.00 61.69 58.48 3jrm s THR 78 Cb -0.11 -2.01 0.04 0.00 1.34 0.00 0.00 72.50 71.76 3jrm s THR 78 CO 0.11 -0.62 0.25 -0.55 -0.54 0.00 0.00 174.62 173.26 3jrm s SER 79 N -3.27 -0.27 0.00 3.99 0.15 -0.61 -4.95 113.70 108.74 3jrm s SER 79 Ca 0.21 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.39 3jrm s SER 79 Cb 0.01 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 3jrm s SER 79 CO 0.05 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.97 3jrm n GLY 80 N 3.62 0.46 3.66 9.45 0.00 -1.26 -1.49 105.19 119.62 3jrm n GLY 80 Ca -0.19 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 3jrm n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jrm s LEU 81 N 0.00 4.39 0.15 0.99 1.43 -0.46 -4.73 118.68 120.44 3jrm s LEU 81 Ca 0.00 2.57 -0.15 0.00 -1.03 0.00 0.00 54.13 55.51 3jrm s LEU 81 Cb 0.00 -3.53 0.02 0.00 0.03 0.00 0.00 46.19 42.71 3jrm s LEU 81 CO 0.00 -1.06 1.74 -0.37 0.23 0.00 0.00 176.35 176.90 3jrm h VAL 82 N 5.67 1.17 -0.43 -1.59 -1.51 -1.96 -1.61 116.25 115.99 3jrm h VAL 82 Ca -0.47 -0.45 -0.03 0.00 -1.23 0.00 0.00 66.70 64.51 3jrm h VAL 82 Cb 1.23 0.67 -0.02 0.00 -2.13 0.00 0.00 31.29 31.04 3jrm h VAL 82 CO 0.94 0.18 0.14 0.00 -1.23 0.00 0.00 177.57 177.60 3jrm h ALA 83 N 1.08 0.56 -0.51 5.19 0.00 -2.00 -0.61 119.26 122.96 3jrm h ALA 83 Ca 0.15 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.97 3jrm h ALA 83 Cb 0.08 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 3jrm h ALA 83 CO -0.02 0.20 0.15 -0.44 0.00 0.00 0.00 179.25 179.14 3jrm h ASP 84 N 0.55 0.10 -0.79 0.00 5.19 -1.93 -2.38 116.42 117.16 3jrm h ASP 84 Ca 0.14 0.08 0.04 0.00 -0.62 0.00 0.00 57.03 56.66 3jrm h ASP 84 Cb 0.25 0.08 -0.05 0.00 0.18 0.00 0.00 39.33 39.80 3jrm h ASP 84 CO -0.01 0.08 0.49 0.00 -3.12 0.00 0.00 179.24 176.69 3jrm h ALA 85 N 1.37 1.04 -0.27 3.45 0.00 -0.60 -2.09 119.26 122.16 3jrm h ALA 85 Ca 0.25 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3jrm h ALA 85 Cb 0.31 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3jrm h ALA 85 CO -0.29 0.28 0.17 -0.09 0.00 0.00 0.00 179.25 179.32 3jrm h ARG 86 N 0.95 0.36 -0.65 0.00 2.43 -0.64 -0.91 114.38 115.92 3jrm h ARG 86 Ca 0.32 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 3jrm h ARG 86 Cb 0.05 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 3jrm h ARG 86 CO -0.13 0.27 0.38 0.28 -1.51 0.00 0.00 179.97 179.26 3jrm h VAL 87 N 0.35 1.19 0.00 0.20 2.07 -1.06 -1.04 116.25 117.96 3jrm h VAL 87 Ca 0.10 -0.43 -0.23 0.00 0.82 0.00 0.00 66.70 66.96 3jrm h VAL 87 Cb -0.00 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 3jrm h VAL 87 CO -0.02 0.20 -0.95 -0.07 0.02 0.00 0.00 177.57 176.75 3jrm h LEU 88 N 0.89 0.53 -0.49 2.57 3.38 -0.95 -1.94 115.31 119.31 3jrm h LEU 88 Ca 0.23 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 3jrm h LEU 88 Cb -0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3jrm h LEU 88 CO -0.04 1.22 0.06 0.58 0.09 0.00 0.00 178.44 180.35 3jrm h VAL 89 N 0.23 1.25 -0.84 1.22 2.07 -0.76 -0.47 116.25 118.94 3jrm h VAL 89 Ca -0.08 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.47 3jrm h VAL 89 Cb 1.58 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 3jrm h VAL 89 CO 0.16 0.34 0.52 0.44 0.02 0.00 0.00 177.57 179.06 3jrm h ASP 90 N 0.70 1.00 -0.40 0.57 3.32 -1.16 -0.46 116.42 119.98 3jrm h ASP 90 Ca 0.15 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3jrm h ASP 90 Cb 0.43 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3jrm h ASP 90 CO 0.01 0.75 0.14 0.15 -1.72 0.00 0.00 179.24 178.58 3jrm h PHE 91 N 1.16 0.64 -0.63 4.55 3.57 -1.10 -1.45 116.94 123.67 3jrm h PHE 91 Ca 0.31 -0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.78 3jrm h PHE 91 Cb -0.08 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.43 3jrm h PHE 91 CO 0.00 0.58 0.38 0.00 -2.23 0.00 0.00 178.31 177.04 3jrm h ALA 92 N 0.99 0.83 -0.13 2.41 0.00 -0.45 0.99 119.26 123.91 3jrm h ALA 92 Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3jrm h ALA 92 Cb 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3jrm h ALA 92 CO -0.01 0.10 0.03 0.00 0.00 0.00 0.00 179.25 179.37 3jrm h ARG 93 N 0.73 0.20 -0.52 0.00 3.08 -0.74 0.11 114.38 117.25 3jrm h ARG 93 Ca 0.26 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.25 3jrm h ARG 93 Cb 0.07 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3jrm h ARG 93 CO -0.13 0.38 0.26 0.82 -1.07 0.00 0.00 179.97 180.23 3jrm h ILE 94 N -0.01 1.19 -0.74 2.04 2.04 -1.03 -2.10 117.51 118.90 3jrm h ILE 94 Ca 0.04 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 3jrm h ILE 94 Cb 0.27 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 3jrm h ILE 94 CO 0.00 0.21 0.44 -1.28 0.00 0.00 0.00 178.15 177.52 3jrm h SER 95 N 0.70 0.90 -0.25 1.72 0.87 -0.57 -0.08 113.55 116.84 3jrm h SER 95 Ca 0.18 -0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.70 3jrm h SER 95 Cb 0.10 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.80 3jrm h SER 95 CO -0.02 0.71 0.03 0.00 -0.53 0.00 0.00 176.83 177.02 3jrm h ALA 96 N 1.23 0.24 -0.23 6.23 0.00 -0.77 -2.41 119.26 123.56 3jrm h ALA 96 Ca 0.27 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 3jrm h ALA 96 Cb -0.02 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3jrm h ALA 96 CO -0.05 -0.39 -0.23 1.96 0.00 0.00 0.00 179.25 180.54 3jrm h GLN 97 N 0.12 0.41 -0.95 0.00 1.08 -0.69 -1.77 115.11 113.31 3jrm h GLN 97 Ca 0.11 -0.14 0.01 0.00 -1.45 0.00 0.00 58.65 57.18 3jrm h GLN 97 Cb 0.13 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.48 3jrm h GLN 97 CO -0.17 0.62 0.62 1.96 -0.95 0.00 0.00 178.83 180.92 3jrm h GLN 98 N 0.37 1.27 -0.42 1.46 4.20 -0.82 -0.68 115.11 120.49 3jrm h GLN 98 Ca 0.06 -0.09 -0.15 0.00 0.06 0.00 0.00 58.65 58.53 3jrm h GLN 98 Cb 0.61 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 3jrm h GLN 98 CO 0.04 0.85 -0.32 1.49 -0.67 0.00 0.00 178.83 180.23 3jrm h GLU 99 N 1.30 0.95 -0.65 1.46 4.81 -1.00 -2.08 114.58 119.38 3jrm h GLU 99 Ca 0.35 -0.46 -0.07 0.00 -0.13 0.00 0.00 59.36 59.05 3jrm h GLU 99 Cb -0.13 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 3jrm h GLU 99 CO -0.07 1.12 0.13 0.87 -0.73 0.00 0.00 179.01 180.34 3jrm h LYS 100 N 0.80 1.05 -0.58 1.92 1.57 -0.81 -1.63 116.57 118.89 3jrm h LYS 100 Ca 0.08 -0.27 -0.08 0.00 -1.87 0.00 0.00 60.65 58.51 3jrm h LYS 100 Cb 0.90 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 3jrm h LYS 100 CO 0.08 0.96 0.03 0.28 -0.57 0.00 0.00 179.45 180.23 3jrm h VAL 101 N 0.97 1.26 -0.25 0.50 2.07 -1.09 0.43 116.25 120.13 3jrm h VAL 101 Ca 0.20 -1.07 -0.09 0.00 0.82 0.00 0.00 66.70 66.56 3jrm h VAL 101 Cb 0.39 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3jrm h VAL 101 CO 0.01 0.39 -0.20 0.74 0.02 0.00 0.00 177.57 178.52 3jrm h THR 102 N 0.91 1.31 0.00 2.57 2.02 -1.03 -3.37 112.91 115.32 3jrm h THR 102 Ca 0.17 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 66.01 3jrm h THR 102 Cb 0.48 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 3jrm h THR 102 CO 0.02 0.42 -0.45 -1.22 0.37 0.00 0.00 175.52 174.66 3jrm n TYR 103 N -4.39 0.00 0.00 3.16 4.01 -0.64 -5.01 117.16 114.28 3jrm n TYR 103 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 3jrm n TYR 103 Cb 0.41 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 3jrm n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3jrm n GLY 104 N 1.33 2.50 3.83 2.72 0.00 0.15 -4.99 105.19 110.72 3jrm n GLY 104 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 3jrm n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jrm s SER 105 N -1.71 -0.05 -0.72 1.61 1.04 -1.25 -4.93 113.70 107.69 3jrm s SER 105 Ca 0.00 -0.83 -0.02 0.00 0.48 0.00 0.00 55.95 55.58 3jrm s SER 105 Cb 0.00 0.67 0.18 0.00 0.10 0.00 0.00 66.02 66.98 3jrm s SER 105 CO 0.00 -1.32 0.56 -0.22 0.98 0.00 0.00 173.24 173.24 3jrm s LEU 106 N -3.14 5.33 0.13 2.42 0.20 -1.26 -4.44 118.68 117.91 3jrm s LEU 106 Ca 0.16 -3.21 -0.17 0.00 0.69 0.00 0.00 54.13 51.61 3jrm s LEU 106 Cb -0.04 -1.86 -0.02 0.00 -0.43 0.00 0.00 46.19 43.84 3jrm s LEU 106 CO 0.08 -0.29 1.69 0.58 -0.29 0.00 0.00 176.35 178.12 3jrm h VAL 107 N 4.81 1.18 -3.35 1.68 2.07 -1.99 -3.42 116.25 117.23 3jrm h VAL 107 Ca 0.05 -0.52 -0.58 0.00 0.82 0.00 0.00 66.70 66.47 3jrm h VAL 107 Cb 0.90 0.85 -0.39 0.00 -1.52 0.00 0.00 31.29 31.12 3jrm h VAL 107 CO 0.76 0.19 -0.76 0.21 0.02 0.00 0.00 177.57 177.98 3jrm s ASN 108 N -5.76 3.72 0.59 0.57 3.84 -1.26 -1.67 114.94 114.96 3jrm s ASN 108 Ca -0.13 -1.32 0.29 0.00 0.21 0.00 0.00 52.86 51.90 3jrm s ASN 108 Cb 0.10 -0.93 1.42 0.00 -0.55 0.00 0.00 41.25 41.29 3jrm s ASN 108 CO 0.74 -0.33 1.82 0.40 -2.79 0.00 0.00 177.10 176.94 3jrm h ILE 109 N 6.55 0.33 -0.93 -5.21 2.04 -1.94 -1.66 117.51 116.69 3jrm h ILE 109 Ca -0.15 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.86 3jrm h ILE 109 Cb 1.06 0.53 -0.08 0.00 -0.74 0.00 0.00 36.82 37.59 3jrm h ILE 109 CO 0.42 0.00 0.59 -0.08 0.00 0.00 0.00 178.15 179.09 3jrm h GLU 110 N 0.00 0.75 -0.23 2.37 4.81 -1.98 -2.49 114.58 117.81 3jrm h GLU 110 Ca 0.28 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.28 3jrm h GLU 110 Cb 1.47 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.68 3jrm h GLU 110 CO -0.00 0.50 -0.59 -0.91 -0.73 0.00 0.00 179.01 177.28 3jrm h ASN 111 N 0.77 0.83 -0.46 1.04 4.21 -1.73 0.47 115.58 120.71 3jrm h ASN 111 Ca 0.47 -0.46 0.08 0.00 1.21 0.00 0.00 56.30 57.61 3jrm h ASN 111 Cb 0.69 -0.24 -0.07 0.00 -1.12 0.00 0.00 38.32 37.58 3jrm h ASN 111 CO -0.24 1.23 0.06 0.25 -1.29 0.00 0.00 177.43 177.44 3jrm h LEU 112 N 0.55 -0.06 -0.42 1.61 5.85 -1.61 -1.43 115.31 119.80 3jrm h LEU 112 Ca 0.00 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 3jrm h LEU 112 Cb 1.17 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 3jrm h LEU 112 CO 0.12 -0.00 0.06 0.58 -0.34 0.00 0.00 178.44 178.86 3jrm h VAL 113 N 0.18 1.25 -0.87 1.05 2.07 -1.04 -2.31 116.25 116.58 3jrm h VAL 113 Ca 0.23 -0.91 0.09 0.00 0.82 0.00 0.00 66.70 66.93 3jrm h VAL 113 Cb 0.31 1.02 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 3jrm h VAL 113 CO -0.33 0.31 0.52 0.11 0.02 0.00 0.00 177.57 178.21 3jrm h LYS 114 N 0.56 0.85 -0.75 1.57 1.57 -0.62 0.26 116.57 120.01 3jrm h LYS 114 Ca 0.13 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3jrm h LYS 114 Cb 0.39 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 3jrm h LYS 114 CO 0.01 0.56 0.29 0.00 -0.57 0.00 0.00 179.45 179.74 3jrm h ARG 115 N 0.87 1.12 -0.35 3.15 3.08 -0.86 0.29 114.38 121.68 3jrm h ARG 115 Ca 0.41 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 60.19 3jrm h ARG 115 Cb 0.34 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3jrm h ARG 115 CO -0.23 0.92 -0.06 0.28 -1.07 0.00 0.00 179.97 179.80 3jrm h VAL 116 N 1.08 1.27 -0.15 2.04 2.07 -0.87 -2.31 116.25 119.38 3jrm h VAL 116 Ca 0.25 -1.10 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 3jrm h VAL 116 Cb 0.22 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3jrm h VAL 116 CO -0.02 0.36 -0.07 0.00 0.02 0.00 0.00 177.57 177.86 3jrm h ALA 117 N 0.83 1.60 -0.26 1.67 0.00 -0.13 -2.24 119.26 120.74 3jrm h ALA 117 Ca 0.09 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 3jrm h ALA 117 Cb 0.55 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3jrm h ALA 117 CO 0.03 0.29 -0.54 -0.44 0.00 0.00 0.00 179.25 178.59 3jrm h ASP 118 N 0.22 0.92 -0.76 0.00 3.32 -0.25 -1.31 116.42 118.57 3jrm h ASP 118 Ca 0.05 -0.55 0.09 0.00 0.02 0.00 0.00 57.03 56.64 3jrm h ASP 118 Cb 0.27 -0.27 -0.07 0.00 0.22 0.00 0.00 39.33 39.49 3jrm h ASP 118 CO 0.01 1.30 0.41 -0.61 -1.72 0.00 0.00 179.24 178.63 3jrm h GLN 119 N 0.58 0.67 -0.31 3.56 5.75 -1.16 -1.29 115.11 122.91 3jrm h GLN 119 Ca 0.00 -0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.35 3jrm h GLN 119 Cb 1.15 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.55 3jrm h GLN 119 CO 0.12 0.44 -0.25 0.52 -2.65 0.00 0.00 178.83 177.01 3jrm h MET 120 N 0.69 0.72 -0.82 1.69 2.86 -1.22 -3.20 114.93 115.64 3jrm h MET 120 Ca 0.37 -0.36 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 3jrm h MET 120 Cb 0.35 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 3jrm h MET 120 CO -0.25 0.97 0.43 0.37 1.06 0.00 0.00 176.91 179.48 3jrm h GLN 121 N 0.47 1.16 -0.80 1.72 -0.00 -0.91 -2.15 115.11 114.61 3jrm h GLN 121 Ca 0.06 -0.15 0.16 0.00 -0.00 0.00 0.00 58.65 58.72 3jrm h GLN 121 Cb 0.81 -0.22 -0.10 0.00 0.00 0.00 0.00 27.48 27.97 3jrm h GLN 121 CO 0.06 0.87 0.33 1.96 0.00 0.00 0.00 178.83 182.06 3jrm h GLN 122 N 1.16 0.45 0.00 1.69 4.20 -1.24 -0.04 115.11 121.33 3jrm h GLN 122 Ca 0.29 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.97 3jrm h GLN 122 Cb 0.07 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3jrm h GLN 122 CO -0.04 0.29 0.00 0.66 -0.67 0.00 0.00 178.83 179.07 3jrm n TYR 123 N -4.99 0.00 -0.03 2.96 4.02 -0.81 -1.81 117.16 116.50 3jrm n TYR 123 Ca 0.16 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 58.10 3jrm n TYR 123 Cb 0.46 0.00 0.12 0.00 -0.02 0.00 0.00 39.34 39.90 3jrm n TYR 123 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3jrm n THR 124 N -0.62 0.78 0.00 -0.72 -2.24 -0.03 -3.07 114.28 108.38 3jrm n THR 124 Ca 0.05 -0.89 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 3jrm n THR 124 Cb 0.02 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 3jrm n THR 124 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3jrm n GLN 125 N 0.46 2.50 -4.09 -0.78 7.27 -0.75 -4.75 117.38 117.25 3jrm n GLN 125 Ca 0.10 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.82 3jrm n GLN 125 Cb 0.38 -0.78 -0.12 0.00 2.41 0.00 0.00 30.24 32.13 3jrm n GLN 125 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 3jrm s TYR 126 N -1.28 3.05 0.80 3.69 2.02 -1.15 -4.84 117.35 119.65 3jrm s TYR 126 Ca 0.00 -0.41 -0.13 0.00 -0.37 0.00 0.00 57.07 56.16 3jrm s TYR 126 Cb 0.00 -2.08 0.08 0.00 -0.40 0.00 0.00 41.96 39.56 3jrm s TYR 126 CO 0.00 -0.20 1.17 0.20 -1.57 0.00 0.00 175.55 175.15 3jrm s GLY 127 N 0.93 2.04 0.00 0.71 0.00 -1.26 -3.65 107.32 106.09 3jrm s GLY 127 Ca 0.01 0.71 0.00 0.00 0.00 0.00 0.00 44.72 45.45 3jrm s GLY 127 CO 0.02 1.12 0.00 0.61 0.00 0.00 0.00 173.10 174.85 3jrm n GLY 128 N 0.16 0.80 3.19 0.20 0.00 -1.26 -5.06 105.19 103.23 3jrm n GLY 128 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 3jrm n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3jrm s VAL 129 N -2.18 0.97 0.23 1.61 -7.23 -1.24 -5.16 120.40 107.40 3jrm s VAL 129 Ca 0.00 -1.77 0.05 0.00 -1.81 0.00 0.00 61.98 58.46 3jrm s VAL 129 Cb 0.00 -1.50 -0.03 0.00 0.56 0.00 0.00 36.38 35.40 3jrm s VAL 129 CO 0.00 -0.63 0.31 0.00 -0.31 0.00 0.00 175.10 174.47 3jrm s ARG 130 N -3.11 3.33 0.86 4.82 1.70 -1.26 -4.84 118.95 120.45 3jrm s ARG 130 Ca 0.09 -0.80 -0.11 0.00 -0.47 0.00 0.00 55.73 54.44 3jrm s ARG 130 Cb -0.01 -2.83 0.11 0.00 -0.57 0.00 0.00 34.95 31.65 3jrm s ARG 130 CO -0.00 0.44 1.11 -2.14 -1.08 0.00 0.00 175.30 173.62 3jrm s PRO 131 N -3.83 1.49 0.07 3.89 0.02 -1.17 -4.89 135.00 130.56 3jrm s PRO 131 Ca 0.34 1.26 -0.31 0.00 0.02 0.00 0.00 61.00 62.31 3jrm s PRO 131 Cb -0.09 -1.80 -0.06 0.00 0.02 0.00 0.00 34.50 32.57 3jrm s PRO 131 CO 0.28 -2.21 1.21 0.71 -0.33 0.00 0.00 177.00 176.66 3jrm s TYR 132 N -2.79 3.43 -1.26 6.54 1.51 -1.26 -4.94 117.35 118.58 3jrm s TYR 132 Ca 0.64 1.28 -0.06 0.00 -1.01 0.00 0.00 57.07 57.92 3jrm s TYR 132 Cb -0.20 -3.44 0.06 0.00 -0.11 0.00 0.00 41.96 38.28 3jrm s TYR 132 CO 0.57 -1.35 2.58 0.41 -1.11 0.00 0.00 175.55 176.66 3jrm n GLY 133 N 3.22 4.87 2.93 0.71 0.00 -1.26 -4.51 105.19 111.15 3jrm n GLY 133 Ca 0.09 -1.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.09 3jrm n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jrm s VAL 134 N -0.54 0.02 0.10 1.61 1.01 -1.26 -1.36 120.40 119.99 3jrm s VAL 134 Ca 0.58 -0.16 0.07 0.00 0.00 0.00 0.00 61.98 62.47 3jrm s VAL 134 Cb 0.21 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.44 3jrm s VAL 134 CO -0.10 -0.09 -0.11 -0.44 0.00 0.00 0.00 175.10 174.37 3jrm s SER 135 N -0.25 4.36 0.04 3.32 0.01 -0.56 -2.90 113.70 117.72 3jrm s SER 135 Ca -0.03 -0.39 0.06 0.00 1.31 0.00 0.00 55.95 56.89 3jrm s SER 135 Cb -0.02 -0.82 -0.02 0.00 0.21 0.00 0.00 66.02 65.37 3jrm s SER 135 CO -0.00 0.18 -0.16 -0.76 0.41 0.00 0.00 173.24 172.91 3jrm s LEU 136 N -2.18 2.16 -0.11 2.44 1.02 0.14 -1.58 118.68 120.56 3jrm s LEU 136 Ca 0.21 -0.46 -0.02 0.00 0.02 0.00 0.00 54.13 53.88 3jrm s LEU 136 Cb -0.11 -0.74 -0.03 0.00 0.02 0.00 0.00 46.19 45.33 3jrm s LEU 136 CO 0.13 0.09 -0.04 -0.63 0.02 0.00 0.00 176.35 175.92 3jrm s ILE 137 N -0.79 3.89 -0.11 -0.59 1.01 0.12 -1.47 121.20 123.27 3jrm s ILE 137 Ca 0.04 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.32 3jrm s ILE 137 Cb -0.08 -2.65 -0.01 0.00 0.01 0.00 0.00 42.46 39.73 3jrm s ILE 137 CO 0.01 0.55 -0.18 -0.36 0.00 0.00 0.00 174.94 174.97 3jrm s PHE 138 N -0.25 2.69 -0.00 3.97 0.08 0.20 -1.23 117.98 123.44 3jrm s PHE 138 Ca 0.04 -0.74 -0.00 0.00 0.12 0.00 0.00 56.93 56.35 3jrm s PHE 138 Cb -0.13 -1.77 0.01 0.00 -0.57 0.00 0.00 43.02 40.56 3jrm s PHE 138 CO 0.02 -0.25 0.01 0.00 -0.10 0.00 0.00 175.22 174.91 3jrm s ALA 139 N 0.22 0.02 0.01 5.36 0.00 -0.48 -0.69 121.76 126.19 3jrm s ALA 139 Ca -0.11 0.07 -0.18 0.00 0.00 0.00 0.00 51.96 51.74 3jrm s ALA 139 Cb -0.16 -0.06 0.06 0.00 0.00 0.00 0.00 23.12 22.96 3jrm s ALA 139 CO 0.06 -0.03 0.84 0.41 0.00 0.00 0.00 175.76 177.04 3jrm n GLY 140 N 3.33 0.43 3.52 0.00 0.00 -0.92 -0.94 105.19 110.61 3jrm n GLY 140 Ca -0.16 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 3jrm n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jrm s ILE 141 N -2.09 3.53 0.00 -0.61 -1.09 -0.75 -0.28 121.20 119.92 3jrm s ILE 141 Ca 0.20 -0.53 0.00 0.00 -2.23 0.00 0.00 60.65 58.09 3jrm s ILE 141 Cb -0.01 -2.46 0.00 0.00 -1.58 0.00 0.00 42.46 38.41 3jrm s ILE 141 CO 0.00 0.57 0.00 -0.90 -1.23 0.00 0.00 174.94 173.38 3jrm n ASP 142 N 2.64 0.34 0.16 3.58 5.68 -0.37 -4.84 116.55 123.75 3jrm n ASP 142 Ca -0.18 -0.71 0.13 0.00 -0.50 0.00 0.00 54.79 53.54 3jrm n ASP 142 Cb 0.53 0.00 0.52 0.00 -1.14 0.00 0.00 41.12 41.03 3jrm n ASP 142 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 3jrm h GLN 143 N 0.00 0.00 0.15 0.11 4.20 -1.57 -2.33 115.11 115.68 3jrm h GLN 143 Ca 0.00 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.42 3jrm h GLN 143 Cb 0.00 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.79 3jrm h GLN 143 CO 0.00 0.00 -1.32 0.82 -0.67 0.00 0.00 178.83 177.66 3jrm h ILE 144 N 0.00 1.43 0.00 2.54 5.03 -1.97 -3.51 117.51 121.02 3jrm h ILE 144 Ca 0.00 -2.97 0.00 0.00 -0.12 0.00 0.00 64.86 61.77 3jrm h ILE 144 Cb 0.43 2.95 0.00 0.00 -3.03 0.00 0.00 36.82 37.17 3jrm h ILE 144 CO 0.00 0.87 0.00 0.61 -0.68 0.00 0.00 178.15 178.95 3jrm n GLY 145 N 1.58 0.49 3.73 5.37 0.00 -0.88 -5.08 105.19 110.40 3jrm n GLY 145 Ca -0.11 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 3jrm n GLY 145 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3jrm s PRO 146 N -2.00 4.59 0.12 1.61 0.02 -1.26 -1.23 135.00 136.84 3jrm s PRO 146 Ca 0.00 1.60 0.09 0.00 0.02 0.00 0.00 61.00 62.71 3jrm s PRO 146 Cb 0.00 -3.35 -0.04 0.00 0.02 0.00 0.00 34.50 31.13 3jrm s PRO 146 CO 0.00 0.04 -0.23 1.03 -0.33 0.00 0.00 177.00 177.51 3jrm s ARG 147 N 0.23 1.23 -0.20 5.54 1.81 0.62 -4.99 118.95 123.18 3jrm s ARG 147 Ca 0.51 -1.24 -0.04 0.00 -1.72 0.00 0.00 55.73 53.24 3jrm s ARG 147 Cb -0.26 -1.56 0.10 0.00 -0.45 0.00 0.00 34.95 32.78 3jrm s ARG 147 CO 0.31 0.36 0.31 -1.17 -0.68 0.00 0.00 175.30 174.44 3jrm s LEU 148 N -2.00 -0.41 0.13 2.53 2.96 -1.26 -2.17 118.68 118.46 3jrm s LEU 148 Ca 0.09 0.25 0.09 0.00 -0.22 0.00 0.00 54.13 54.35 3jrm s LEU 148 Cb -0.10 0.83 -0.04 0.00 0.50 0.00 0.00 46.19 47.39 3jrm s LEU 148 CO 0.05 -0.29 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.23 3jrm s PHE 149 N 2.46 1.87 0.44 5.38 0.40 0.13 -0.38 117.98 128.28 3jrm s PHE 149 Ca 0.07 -0.43 0.06 0.00 -0.60 0.00 0.00 56.93 56.03 3jrm s PHE 149 Cb -0.14 -0.99 -0.06 0.00 0.51 0.00 0.00 43.02 42.34 3jrm s PHE 149 CO -0.13 0.27 0.04 0.16 0.70 0.00 0.00 175.22 176.27 3jrm s ASP 150 N -2.21 4.04 -0.29 1.36 1.47 -0.48 -0.62 116.67 119.93 3jrm s ASP 150 Ca 0.11 -1.39 -0.14 0.00 1.18 0.00 0.00 52.55 52.31 3jrm s ASP 150 Cb -0.08 -0.18 0.11 0.00 -0.34 0.00 0.00 42.92 42.43 3jrm s ASP 150 CO 0.05 -0.57 0.76 0.00 0.68 0.00 0.00 175.17 176.09 3jrm s ASP 152 N 2.01 4.32 0.66 0.00 -4.77 -0.98 -0.69 116.67 117.22 3jrm s ASP 152 Ca -0.08 -1.48 0.39 0.00 -3.30 0.00 0.00 52.55 48.08 3jrm s ASP 152 Cb -0.07 0.42 2.14 0.00 -1.09 0.00 0.00 42.92 44.32 3jrm s ASP 152 CO -0.19 -0.92 2.22 -0.65 0.70 0.00 0.00 175.17 176.33 3jrm h PRO 153 N 1.15 0.00 0.00 2.11 0.11 -1.76 -1.11 132.00 132.50 3jrm h PRO 153 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3jrm h PRO 153 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3jrm h PRO 153 CO 0.68 0.00 -0.12 0.00 -0.21 0.00 0.00 178.00 178.35 3jrm n ALA 154 N -2.04 2.55 -0.80 -0.75 0.00 -1.26 -4.65 120.51 113.56 3jrm n ALA 154 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3jrm n ALA 154 Cb 0.18 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.24 3jrm n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jrm n GLY 155 N 1.44 0.53 3.73 0.00 0.00 -0.42 -4.25 105.19 106.23 3jrm n GLY 155 Ca 0.06 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 3jrm n GLY 155 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jrm s THR 156 N -2.00 4.51 0.01 2.61 2.01 -1.26 -4.74 115.64 116.78 3jrm s THR 156 Ca 0.00 2.03 0.08 0.00 0.31 0.00 0.00 61.69 64.11 3jrm s THR 156 Cb 0.00 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.18 3jrm s THR 156 CO 0.00 0.29 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.35 3jrm s ILE 157 N 0.15 2.30 -0.03 1.82 1.01 -1.26 -2.31 121.20 122.88 3jrm s ILE 157 Ca 0.48 -1.20 -0.07 0.00 0.00 0.00 0.00 60.65 59.86 3jrm s ILE 157 Cb -0.23 -1.87 0.01 0.00 0.01 0.00 0.00 42.46 40.37 3jrm s ILE 157 CO 0.30 0.46 0.16 0.20 0.00 0.00 0.00 174.94 176.06 3jrm s ASN 158 N -1.00 -0.06 -0.08 3.58 -0.87 -1.11 -5.00 114.94 110.39 3jrm s ASN 158 Ca 0.12 0.02 -0.11 0.00 -1.57 0.00 0.00 52.86 51.32 3jrm s ASN 158 Cb -0.10 0.27 -0.05 0.00 -0.02 0.00 0.00 41.25 41.35 3jrm s ASN 158 CO 0.01 -0.25 0.26 -0.70 -2.57 0.00 0.00 177.10 173.85 3jrm s GLU 159 N -0.80 3.74 0.21 -0.60 2.12 -1.26 -1.39 118.70 120.72 3jrm s GLU 159 Ca -0.09 0.10 0.05 0.00 0.36 0.00 0.00 54.97 55.39 3jrm s GLU 159 Cb -0.05 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 31.05 3jrm s GLU 159 CO 0.01 0.67 -0.06 0.71 -0.54 0.00 0.00 175.26 176.05 3jrm s TYR 160 N -0.83 1.52 -0.03 5.30 1.51 0.49 -4.99 117.35 120.33 3jrm s TYR 160 Ca 0.18 -0.81 0.02 0.00 -1.01 0.00 0.00 57.07 55.46 3jrm s TYR 160 Cb -0.14 -0.83 -0.25 0.00 -0.11 0.00 0.00 41.96 40.63 3jrm s TYR 160 CO 0.07 0.08 0.74 0.87 -1.11 0.00 0.00 175.55 176.20 3jrm h LYS 161 N 2.56 0.15 -2.14 -0.62 1.57 -1.94 -3.39 116.57 112.76 3jrm h LYS 161 Ca -0.38 -0.25 -0.06 0.00 -1.87 0.00 0.00 60.65 58.09 3jrm h LYS 161 Cb 1.21 0.09 -0.20 0.00 0.08 0.00 0.00 32.23 33.42 3jrm h LYS 161 CO 0.64 0.91 0.11 0.00 -0.57 0.00 0.00 179.45 180.54 3jrm s ALA 162 N -2.61 -1.64 0.26 3.86 0.00 -1.26 -0.38 121.76 119.99 3jrm s ALA 162 Ca -0.09 1.38 -0.21 0.00 0.00 0.00 0.00 51.96 53.04 3jrm s ALA 162 Cb 0.07 -0.31 0.04 0.00 0.00 0.00 0.00 23.12 22.93 3jrm s ALA 162 CO 0.82 -0.34 0.82 -0.08 0.00 0.00 0.00 175.76 176.98 3jrm s THR 163 N -0.76 0.00 0.17 0.00 -1.32 -0.71 -5.01 115.64 108.01 3jrm s THR 163 Ca -0.08 -0.89 -0.06 0.00 -1.21 0.00 0.00 61.69 59.45 3jrm s THR 163 Cb -0.02 -2.26 -0.02 0.00 -1.51 0.00 0.00 72.50 68.69 3jrm s THR 163 CO 0.07 0.00 0.23 0.00 -2.21 0.00 0.00 174.62 172.71 3jrm s ALA 164 N -3.28 0.38 0.05 11.08 0.00 -1.26 -1.68 121.76 127.05 3jrm s ALA 164 Ca 0.13 -1.17 -0.04 0.00 0.00 0.00 0.00 51.96 50.88 3jrm s ALA 164 Cb -0.04 0.99 -0.02 0.00 0.00 0.00 0.00 23.12 24.05 3jrm s ALA 164 CO 0.07 -0.63 0.07 0.96 0.00 0.00 0.00 175.76 176.23 3jrm s ILE 165 N -4.03 0.16 0.00 0.00 -4.36 -0.55 -4.91 121.20 107.51 3jrm s ILE 165 Ca 0.23 -1.33 0.00 0.00 -0.26 0.00 0.00 60.65 59.29 3jrm s ILE 165 Cb 0.04 -1.15 0.00 0.00 1.25 0.00 0.00 42.46 42.60 3jrm s ILE 165 CO 0.04 -0.74 0.00 0.61 0.24 0.00 0.00 174.94 175.09 3jrm n GLY 166 N 0.43 -1.77 0.15 6.27 0.00 -1.26 -1.32 105.19 107.69 3jrm n GLY 166 Ca -0.17 -2.10 -0.06 0.00 0.00 0.00 0.00 46.02 43.69 3jrm n GLY 166 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3jrm h SER 167 N 0.00 0.11 -0.11 1.61 4.64 -0.62 -1.92 113.55 117.27 3jrm h SER 167 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3jrm h SER 167 Cb 0.00 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3jrm h SER 167 CO 0.00 0.10 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 3jrm n GLY 168 N -1.22 0.91 0.35 -0.77 0.00 -1.26 -4.48 105.19 98.73 3jrm n GLY 168 Ca 0.01 -0.14 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 3jrm n GLY 168 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3jrm h LYS 169 N 0.68 -0.20 -0.37 1.61 3.64 -1.58 -1.73 116.57 118.63 3jrm h LYS 169 Ca 0.00 0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.26 3jrm h LYS 169 Cb 0.52 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3jrm h LYS 169 CO 0.05 -0.13 -0.29 -0.44 -2.27 0.00 0.00 179.45 176.37 3jrm h ASP 170 N -0.20 0.89 0.08 4.20 3.32 -1.85 0.27 116.42 123.13 3jrm h ASP 170 Ca 0.20 -0.44 0.02 0.00 0.02 0.00 0.00 57.03 56.83 3jrm h ASP 170 Cb 0.55 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 3jrm h ASP 170 CO -0.64 1.15 -0.29 0.00 -1.72 0.00 0.00 179.24 177.74 3jrm h ALA 171 N 0.77 -0.48 -0.59 3.45 0.00 -1.87 -1.66 119.26 118.89 3jrm h ALA 171 Ca 0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3jrm h ALA 171 Cb 0.86 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 3jrm h ALA 171 CO 0.08 -0.83 0.25 0.28 0.00 0.00 0.00 179.25 179.03 3jrm h VAL 172 N -0.49 1.21 -0.12 0.00 2.07 -0.90 -1.85 116.25 116.16 3jrm h VAL 172 Ca 0.04 -0.63 -0.10 0.00 0.82 0.00 0.00 66.70 66.84 3jrm h VAL 172 Cb 0.54 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3jrm h VAL 172 CO -0.20 0.25 -0.31 0.58 0.02 0.00 0.00 177.57 177.92 3jrm h VAL 173 N 0.84 1.38 -0.27 2.57 2.07 -0.35 -2.07 116.25 120.42 3jrm h VAL 173 Ca 0.20 -1.61 -0.12 0.00 0.82 0.00 0.00 66.70 65.99 3jrm h VAL 173 Cb 0.14 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 3jrm h VAL 173 CO -0.02 0.47 -0.34 0.77 0.02 0.00 0.00 177.57 178.48 3jrm h SER 174 N 0.01 0.60 -0.68 0.57 4.64 -1.19 0.25 113.55 117.75 3jrm h SER 174 Ca -0.00 -0.24 0.02 0.00 -0.47 0.00 0.00 61.79 61.09 3jrm h SER 174 Cb 0.92 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 62.80 3jrm h SER 174 CO 0.07 0.90 0.44 0.15 -0.87 0.00 0.00 176.83 177.51 3jrm h PHE 175 N 0.49 0.83 -0.09 4.77 3.04 -1.37 -1.85 116.94 122.76 3jrm h PHE 175 Ca 0.05 0.02 -0.16 0.00 3.98 0.00 0.00 57.97 61.87 3jrm h PHE 175 Cb 0.82 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 39.05 3jrm h PHE 175 CO 0.03 0.50 -0.63 -0.07 -2.02 0.00 0.00 178.31 176.13 3jrm h LEU 176 N 0.88 0.38 -1.29 0.59 3.38 -0.89 0.84 115.31 119.20 3jrm h LEU 176 Ca 0.26 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3jrm h LEU 176 Cb -0.05 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3jrm h LEU 176 CO -0.08 0.91 0.50 -0.08 0.09 0.00 0.00 178.44 179.79 3jrm h GLU 177 N 0.24 0.88 0.20 1.13 4.81 -0.12 0.43 114.58 122.16 3jrm h GLU 177 Ca -0.01 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3jrm h GLU 177 Cb 1.16 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.34 3jrm h GLU 177 CO 0.10 0.58 -0.09 0.00 -0.73 0.00 0.00 179.01 178.87 3jrm h ARG 178 N 0.91 -0.25 0.00 1.92 3.08 -1.07 -3.41 114.38 115.55 3jrm h ARG 178 Ca 0.31 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.38 3jrm h ARG 178 Cb 0.10 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3jrm h ARG 178 CO -0.09 0.01 -0.73 0.39 -1.07 0.00 0.00 179.97 178.47 3jrm n GLU 179 N -4.94 0.10 -2.37 0.04 -0.58 0.26 -4.96 120.64 108.18 3jrm n GLU 179 Ca -0.05 0.01 -0.41 0.00 -0.42 0.00 0.00 57.16 56.28 3jrm n GLU 179 Cb 0.19 -1.54 -0.04 0.00 -0.57 0.00 0.00 31.44 29.48 3jrm n GLU 179 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 3jrm s TYR 180 N -3.06 3.43 0.02 -0.32 5.04 0.13 -5.03 117.35 117.56 3jrm s TYR 180 Ca 0.08 1.49 0.05 0.00 -2.44 0.00 0.00 57.07 56.25 3jrm s TYR 180 Cb 0.16 -3.42 -0.02 0.00 0.35 0.00 0.00 41.96 39.04 3jrm s TYR 180 CO 0.76 -1.10 -0.15 0.15 -1.34 0.00 0.00 175.55 173.87 3jrm s LYS 181 N -0.71 1.05 0.51 4.97 1.02 -1.26 -5.01 119.74 120.31 3jrm s LYS 181 Ca 0.50 -0.67 -0.20 0.00 0.02 0.00 0.00 55.97 55.63 3jrm s LYS 181 Cb -0.33 -1.04 -0.07 0.00 -0.52 0.00 0.00 37.83 35.86 3jrm s LYS 181 CO 0.39 0.27 1.08 -1.21 -0.92 0.00 0.00 175.35 174.96 3jrm s GLU 182 N -0.82 3.60 -1.16 1.68 2.02 -1.26 -4.12 118.70 118.63 3jrm s GLU 182 Ca 0.04 1.47 0.00 0.00 0.02 0.00 0.00 54.97 56.50 3jrm s GLU 182 Cb -0.07 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 32.11 3jrm s GLU 182 CO 0.01 -0.62 0.00 0.09 0.02 0.00 0.00 175.26 174.75 3jrm n ASN 183 N -1.13 -4.16 -4.73 -0.19 3.02 -1.26 -4.93 115.26 101.88 3jrm n ASN 183 Ca 0.10 0.14 -0.37 0.00 -0.03 0.00 0.00 54.58 54.43 3jrm n ASN 183 Cb 0.52 -3.06 0.06 0.00 -0.61 0.00 0.00 39.78 36.69 3jrm n ASN 183 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3jrm s LEU 184 N -3.14 3.58 0.86 3.41 1.43 -1.26 -4.09 118.68 119.47 3jrm s LEU 184 Ca 0.00 2.59 -0.10 0.00 -1.03 0.00 0.00 54.13 55.59 3jrm s LEU 184 Cb 0.00 -4.62 0.11 0.00 0.03 0.00 0.00 46.19 41.72 3jrm s LEU 184 CO 0.00 -1.96 1.12 -2.84 0.23 0.00 0.00 176.35 172.90 3jrm s PRO 185 N -3.38 1.49 0.13 1.29 0.02 -1.26 -0.93 135.00 132.36 3jrm s PRO 185 Ca 0.82 1.32 -0.21 0.00 0.02 0.00 0.00 61.00 62.95 3jrm s PRO 185 Cb -0.37 -1.80 -0.02 0.00 0.02 0.00 0.00 34.50 32.34 3jrm s PRO 185 CO 0.39 -2.23 1.69 1.49 -0.33 0.00 0.00 177.00 178.01 3jrm h GLU 186 N -1.57 -0.07 -0.97 5.54 4.81 -1.94 -1.50 114.58 118.88 3jrm h GLU 186 Ca -0.44 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 58.83 3jrm h GLU 186 Cb 1.26 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.60 3jrm h GLU 186 CO 0.47 -0.05 0.63 0.87 -0.73 0.00 0.00 179.01 180.20 3jrm h LYS 187 N -0.07 1.19 -0.37 1.92 1.57 -1.99 0.36 116.57 119.17 3jrm h LYS 187 Ca 0.10 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 3jrm h LYS 187 Cb 0.22 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3jrm h LYS 187 CO -0.22 0.78 -0.28 0.93 -0.57 0.00 0.00 179.45 180.09 3jrm h GLU 188 N 1.22 0.77 -0.23 3.15 5.08 -1.83 -2.04 114.58 120.70 3jrm h GLU 188 Ca 0.38 -0.34 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3jrm h GLU 188 Cb 0.00 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3jrm h GLU 188 CO -0.12 0.95 0.10 0.00 -1.00 0.00 0.00 179.01 178.94 3jrm h ALA 189 N 1.03 0.27 -0.77 3.43 0.00 -0.28 -0.54 119.26 122.39 3jrm h ALA 189 Ca 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3jrm h ALA 189 Cb 0.80 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3jrm h ALA 189 CO 0.07 -0.31 0.40 0.28 0.00 0.00 0.00 179.25 179.68 3jrm h VAL 190 N 0.22 1.24 -0.01 0.00 2.07 -0.87 -0.98 116.25 117.92 3jrm h VAL 190 Ca 0.10 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 3jrm h VAL 190 Cb 0.04 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 3jrm h VAL 190 CO -0.08 0.27 0.00 0.74 0.02 0.00 0.00 177.57 178.52 3jrm h THR 191 N 1.09 1.17 -0.83 2.57 2.02 -0.99 -0.56 112.91 117.38 3jrm h THR 191 Ca 0.27 -0.50 0.12 0.00 0.77 0.00 0.00 66.41 67.07 3jrm h THR 191 Cb 0.07 1.50 -0.08 0.00 -1.74 0.00 0.00 68.15 67.89 3jrm h THR 191 CO -0.04 0.13 0.45 0.25 0.37 0.00 0.00 175.52 176.68 3jrm h LEU 192 N -0.20 0.59 -0.29 2.58 5.85 -0.90 0.07 115.31 123.00 3jrm h LEU 192 Ca 0.00 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3jrm h LEU 192 Cb 0.21 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3jrm h LEU 192 CO -0.00 0.30 0.12 1.23 -0.34 0.00 0.00 178.44 179.75 3jrm h GLY 193 N 0.70 0.46 1.02 3.75 0.00 -0.77 -1.06 103.07 107.17 3jrm h GLY 193 Ca 0.42 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.47 3jrm h GLY 193 CO -0.30 0.23 0.29 -2.22 0.00 0.00 0.00 176.54 174.55 3jrm h ILE 194 N 0.32 1.24 -0.27 2.60 1.08 -0.35 -0.26 117.51 121.87 3jrm h ILE 194 Ca 0.10 -0.73 0.03 0.00 -0.39 0.00 0.00 64.86 63.87 3jrm h ILE 194 Cb 0.17 0.43 -0.03 0.00 -3.07 0.00 0.00 36.82 34.32 3jrm h ILE 194 CO -0.01 0.30 0.07 0.11 -0.69 0.00 0.00 178.15 177.93 3jrm h LYS 195 N 0.98 0.17 -0.52 2.37 1.57 -0.82 -1.21 116.57 119.12 3jrm h LYS 195 Ca 0.23 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 3jrm h LYS 195 Cb 0.18 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3jrm h LYS 195 CO -0.02 0.11 0.28 0.00 -0.57 0.00 0.00 179.45 179.26 3jrm h ALA 196 N 1.19 0.66 -0.27 3.86 0.00 -0.68 -0.13 119.26 123.90 3jrm h ALA 196 Ca 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3jrm h ALA 196 Cb 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3jrm h ALA 196 CO -0.15 0.18 0.13 1.25 0.00 0.00 0.00 179.25 180.66 3jrm h LEU 197 N 0.69 0.35 -0.95 0.00 5.85 -0.90 -2.43 115.31 117.93 3jrm h LEU 197 Ca 0.18 -0.12 0.10 0.00 0.84 0.00 0.00 57.88 58.87 3jrm h LEU 197 Cb 0.05 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 40.91 3jrm h LEU 197 CO -0.03 0.38 0.59 0.11 -0.34 0.00 0.00 178.44 179.14 3jrm h LYS 198 N 0.30 0.95 0.00 1.25 1.57 -0.86 -1.87 116.57 117.92 3jrm h LYS 198 Ca 0.09 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3jrm h LYS 198 Cb 0.12 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3jrm h LYS 198 CO -0.01 0.63 0.00 -1.13 -0.57 0.00 0.00 179.45 178.37 3jrm n SER 199 N -4.62 0.21 -0.00 0.86 3.41 -0.09 -1.67 113.62 111.71 3jrm n SER 199 Ca 0.16 0.60 0.10 0.00 -0.26 0.00 0.00 58.87 59.47 3jrm n SER 199 Cb 0.28 -0.63 -0.12 0.00 -0.26 0.00 0.00 64.21 63.48 3jrm n SER 199 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3jrm n SER 200 N -1.79 0.92 -4.81 4.04 3.41 -0.70 -4.89 113.62 109.81 3jrm n SER 200 Ca -0.00 -0.92 -0.33 0.00 -0.26 0.00 0.00 58.87 57.35 3jrm n SER 200 Cb 0.02 1.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.98 3jrm n SER 200 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3jrm s LEU 201 N -3.11 3.88 -0.00 1.04 1.43 -0.67 -4.89 118.68 116.35 3jrm s LEU 201 Ca 0.07 1.81 -0.31 0.00 -1.03 0.00 0.00 54.13 54.67 3jrm s LEU 201 Cb 0.16 -4.55 -0.10 0.00 0.03 0.00 0.00 46.19 41.73 3jrm s LEU 201 CO 0.87 -0.59 1.97 -0.62 0.23 0.00 0.00 176.35 178.21 3jrm n GLU 202 N -0.85 2.67 -1.13 1.70 -0.58 -1.26 -4.96 120.64 116.22 3jrm n GLU 202 Ca 0.08 0.97 -0.33 0.00 -0.42 0.00 0.00 57.16 57.46 3jrm n GLU 202 Cb 0.53 -2.93 0.13 0.00 -0.57 0.00 0.00 31.44 28.60 3jrm n GLU 202 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 3jrm s GLU 203 N 4.46 1.66 -1.13 3.49 4.04 -1.26 -2.01 118.70 127.94 3jrm s GLU 203 Ca 0.91 1.76 -0.05 0.00 0.04 0.00 0.00 54.97 57.63 3jrm s GLU 203 Cb -0.50 -1.78 0.01 0.00 0.02 0.00 0.00 34.13 31.88 3jrm s GLU 203 CO 0.44 -2.20 0.97 0.41 -1.84 0.00 0.00 175.26 173.05 3jrm n GLY 204 N 0.48 -0.32 3.19 -3.83 0.00 -1.26 -5.05 105.19 98.40 3jrm n GLY 204 Ca 0.13 0.09 -0.09 0.00 0.00 0.00 0.00 46.02 46.16 3jrm n GLY 204 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3jrm s GLU 205 N -5.76 0.30 -0.00 1.61 2.12 -0.85 -5.15 118.70 110.96 3jrm s GLU 205 Ca 0.31 0.94 -0.17 0.00 0.36 0.00 0.00 54.97 56.40 3jrm s GLU 205 Cb -0.14 0.19 -0.06 0.00 0.26 0.00 0.00 34.13 34.39 3jrm s GLU 205 CO 0.64 -0.30 0.49 -2.00 -0.54 0.00 0.00 175.26 173.55 3jrm s GLU 206 N 2.58 4.13 -0.26 4.30 2.12 -1.26 -4.82 118.70 125.49 3jrm s GLU 206 Ca 0.00 0.55 -0.29 0.00 0.36 0.00 0.00 54.97 55.60 3jrm s GLU 206 Cb -0.12 -3.28 -0.00 0.00 0.26 0.00 0.00 34.13 30.98 3jrm s GLU 206 CO -0.12 0.53 1.27 -1.17 -0.54 0.00 0.00 175.26 175.22 3jrm s LEU 207 N -0.65 3.98 0.92 2.70 2.96 -1.26 -5.04 118.68 122.30 3jrm s LEU 207 Ca 0.27 1.35 -0.14 0.00 -0.22 0.00 0.00 54.13 55.38 3jrm s LEU 207 Cb -0.17 -3.54 0.17 0.00 0.50 0.00 0.00 46.19 43.15 3jrm s LEU 207 CO 0.15 -0.95 1.28 -0.54 -1.32 0.00 0.00 176.35 174.96 3jrm s LYS 208 N 3.89 0.97 -0.14 1.98 1.02 -1.26 -4.95 119.74 121.26 3jrm s LYS 208 Ca 0.55 -0.32 -0.30 0.00 0.02 0.00 0.00 55.97 55.91 3jrm s LYS 208 Cb -0.18 -1.89 -0.07 0.00 -0.52 0.00 0.00 37.83 35.17 3jrm s LYS 208 CO 0.19 -2.19 2.12 0.00 -0.92 0.00 0.00 175.35 174.54 3jrm n ALA 209 N -3.63 1.58 -1.94 5.17 0.00 -1.26 -4.93 120.51 115.50 3jrm n ALA 209 Ca 0.14 -0.05 -0.26 0.00 0.00 0.00 0.00 53.44 53.27 3jrm n ALA 209 Cb 0.60 -2.78 0.10 0.00 0.00 0.00 0.00 19.45 17.37 3jrm n ALA 209 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3jrm s PRO 210 N 5.57 1.80 0.10 0.00 0.04 -1.26 -4.70 135.00 136.55 3jrm s PRO 210 Ca 0.97 -0.41 -0.18 0.00 0.04 0.00 0.00 61.00 61.42 3jrm s PRO 210 Cb -0.44 -2.13 -0.07 0.00 0.04 0.00 0.00 34.50 31.90 3jrm s PRO 210 CO 0.40 -1.51 0.58 -1.21 0.04 0.00 0.00 177.00 175.30 3jrm s GLU 211 N -5.37 4.17 -0.02 4.56 2.02 -0.41 -4.93 118.70 118.72 3jrm s GLU 211 Ca 0.64 0.70 0.00 0.00 0.02 0.00 0.00 54.97 56.34 3jrm s GLU 211 Cb -0.09 -3.14 0.02 0.00 0.10 0.00 0.00 34.13 31.03 3jrm s GLU 211 CO 0.46 0.58 0.01 0.42 0.02 0.00 0.00 175.26 176.75 3jrm s ILE 212 N -1.23 0.10 0.02 -1.63 1.01 -1.26 -1.45 121.20 116.76 3jrm s ILE 212 Ca 0.32 0.10 0.02 0.00 0.00 0.00 0.00 60.65 61.09 3jrm s ILE 212 Cb -0.18 -0.19 -0.01 0.00 0.01 0.00 0.00 42.46 42.08 3jrm s ILE 212 CO 0.19 0.11 -0.07 0.00 0.00 0.00 0.00 174.94 175.17 3jrm s ALA 213 N 0.85 0.60 0.04 9.38 0.00 -0.70 -0.81 121.76 131.11 3jrm s ALA 213 Ca -0.08 -0.49 -0.02 0.00 0.00 0.00 0.00 51.96 51.38 3jrm s ALA 213 Cb -0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 3jrm s ALA 213 CO -0.02 0.09 0.00 -1.54 0.00 0.00 0.00 175.76 174.29 3jrm s SER 214 N -0.72 0.36 -0.09 0.00 1.04 -0.67 -1.02 113.70 112.61 3jrm s SER 214 Ca -0.02 -0.79 -0.08 0.00 0.48 0.00 0.00 55.95 55.54 3jrm s SER 214 Cb -0.05 0.19 0.02 0.00 0.10 0.00 0.00 66.02 66.28 3jrm s SER 214 CO 0.00 -0.52 0.23 -0.51 0.98 0.00 0.00 173.24 173.41 3jrm s ILE 215 N -3.15 -0.00 0.12 -1.02 2.07 -0.91 -1.16 121.20 117.15 3jrm s ILE 215 Ca -0.00 0.01 0.09 0.00 -1.41 0.00 0.00 60.65 59.34 3jrm s ILE 215 Cb 0.02 -0.32 -0.04 0.00 0.13 0.00 0.00 42.46 42.25 3jrm s ILE 215 CO -0.07 0.00 -0.22 0.42 -1.91 0.00 0.00 174.94 173.16 3jrm s THR 216 N 0.20 1.88 0.24 4.00 -4.23 -1.26 -1.84 115.64 114.63 3jrm s THR 216 Ca -0.01 -1.66 -0.30 0.00 -1.18 0.00 0.00 61.69 58.55 3jrm s THR 216 Cb -0.02 -1.71 -0.15 0.00 1.34 0.00 0.00 72.50 71.96 3jrm s THR 216 CO -0.00 -0.06 1.02 0.52 -0.54 0.00 0.00 174.62 175.56 3jrm n VAL 217 N 0.92 1.63 -1.13 2.29 0.31 0.89 -1.81 118.33 121.42 3jrm n VAL 217 Ca -0.18 -0.41 -0.04 0.00 -0.01 0.00 0.00 64.34 63.70 3jrm n VAL 217 Cb 0.54 -0.86 -0.02 0.00 -0.91 0.00 0.00 33.84 32.59 3jrm n VAL 217 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3jrm n GLY 218 N 1.56 0.71 3.29 2.92 0.00 -1.26 -5.02 105.19 107.38 3jrm n GLY 218 Ca 0.12 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 3jrm n GLY 218 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jrm s ASN 219 N -2.60 1.02 0.46 1.61 0.01 -0.75 -5.16 114.94 109.52 3jrm s ASN 219 Ca 0.00 -1.45 0.01 0.00 -0.71 0.00 0.00 52.86 50.71 3jrm s ASN 219 Cb 0.00 0.31 0.00 0.00 0.41 0.00 0.00 41.25 41.97 3jrm s ASN 219 CO 0.00 -0.82 0.67 -0.54 -1.51 0.00 0.00 177.10 174.89 3jrm s LYS 220 N -3.98 2.96 0.50 -0.60 1.02 -1.26 -4.69 119.74 113.69 3jrm s LYS 220 Ca 0.38 -0.63 -0.23 0.00 0.02 0.00 0.00 55.97 55.50 3jrm s LYS 220 Cb 0.07 -2.58 -0.06 0.00 -0.52 0.00 0.00 37.83 34.73 3jrm s LYS 220 CO 0.15 -0.32 1.33 0.71 -0.92 0.00 0.00 175.35 176.30 3jrm s TYR 221 N -2.55 2.46 -0.03 3.18 1.51 -0.54 -4.64 117.35 116.75 3jrm s TYR 221 Ca 0.50 1.39 0.05 0.00 -1.01 0.00 0.00 57.07 57.99 3jrm s TYR 221 Cb -0.10 -3.73 -0.01 0.00 -0.11 0.00 0.00 41.96 38.01 3jrm s TYR 221 CO 0.37 -2.59 -0.16 -0.98 -1.11 0.00 0.00 175.55 171.07 3jrm s ARG 222 N -2.74 1.54 -0.23 -0.62 1.70 -0.31 -5.01 118.95 113.30 3jrm s ARG 222 Ca 0.67 -0.58 -0.14 0.00 -0.47 0.00 0.00 55.73 55.21 3jrm s ARG 222 Cb -0.39 -1.41 -0.04 0.00 -0.57 0.00 0.00 34.95 32.54 3jrm s ARG 222 CO 0.47 0.28 0.31 0.42 -1.08 0.00 0.00 175.30 175.71 3jrm s ILE 223 N -0.13 5.25 0.27 4.99 -1.09 -1.26 -1.67 121.20 127.55 3jrm s ILE 223 Ca 0.01 0.51 -0.30 0.00 -2.23 0.00 0.00 60.65 58.64 3jrm s ILE 223 Cb -0.09 -3.65 -0.10 0.00 -1.58 0.00 0.00 42.46 37.04 3jrm s ILE 223 CO 0.01 0.27 1.37 -0.31 -1.23 0.00 0.00 174.94 175.04 3jrm s TYR 224 N 1.36 3.07 0.47 3.97 1.51 0.01 -5.01 117.35 122.74 3jrm s TYR 224 Ca 0.14 1.20 -0.07 0.00 -1.01 0.00 0.00 57.07 57.33 3jrm s TYR 224 Cb -0.15 -3.73 -0.05 0.00 -0.11 0.00 0.00 41.96 37.93 3jrm s TYR 224 CO 0.07 -2.24 0.80 0.16 -1.11 0.00 0.00 175.55 173.24 3jrm s ASP 225 N 0.07 6.34 0.29 2.29 -4.77 -1.26 -4.62 116.67 115.01 3jrm s ASP 225 Ca 0.55 1.04 -0.03 0.00 -3.30 0.00 0.00 52.55 50.81 3jrm s ASP 225 Cb -0.40 -2.29 0.61 0.00 -1.09 0.00 0.00 42.92 39.74 3jrm s ASP 225 CO 0.46 -0.55 1.57 1.56 0.70 0.00 0.00 175.17 178.91 3jrm h GLN 226 N 0.51 0.01 -0.17 2.11 7.50 -1.95 -0.61 115.11 122.51 3jrm h GLN 226 Ca -0.47 -0.00 -0.11 0.00 0.50 0.00 0.00 58.65 58.57 3jrm h GLN 226 Cb 1.20 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.71 3jrm h GLN 226 CO 0.62 0.01 -0.37 0.93 -1.50 0.00 0.00 178.83 178.52 3jrm h GLU 227 N 0.01 0.37 -0.27 1.46 5.08 -2.00 -1.04 114.58 118.19 3jrm h GLU 227 Ca 0.53 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.66 3jrm h GLU 227 Cb 0.98 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 3jrm h GLU 227 CO -0.94 0.69 -0.11 1.49 -1.00 0.00 0.00 179.01 179.13 3jrm h GLU 228 N 0.31 0.45 -0.25 2.33 4.81 -1.51 -3.17 114.58 117.55 3jrm h GLU 228 Ca 0.03 -0.12 -0.18 0.00 -0.13 0.00 0.00 59.36 58.96 3jrm h GLU 228 Cb 0.79 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.12 3jrm h GLU 228 CO 0.06 0.56 -0.55 0.28 -0.73 0.00 0.00 179.01 178.63 3jrm h VAL 229 N 0.42 1.29 -0.80 0.32 2.07 -0.89 -3.28 116.25 115.37 3jrm h VAL 229 Ca 0.08 -1.75 0.02 0.00 0.82 0.00 0.00 66.70 65.88 3jrm h VAL 229 Cb 0.45 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.92 3jrm h VAL 229 CO 0.03 0.56 0.53 0.11 0.02 0.00 0.00 177.57 178.82 3jrm h LYS 230 N 0.57 1.00 0.00 1.57 1.57 -1.20 -0.89 116.57 119.18 3jrm h LYS 230 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3jrm h LYS 230 Cb 1.16 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.25 3jrm h LYS 230 CO 0.12 0.66 0.16 1.63 -0.57 0.00 0.00 179.45 181.46 3jrm n LYS 231 N -4.43 0.00 0.00 3.15 5.02 -1.21 -0.16 118.16 120.52 3jrm n LYS 231 Ca 0.10 0.24 0.05 0.00 -2.02 0.00 0.00 58.31 56.67 3jrm n LYS 231 Cb 0.08 -1.66 -0.04 0.00 -0.02 0.00 0.00 35.03 33.38 3jrm n LYS 231 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3jrm n PHE 232 N -1.20 0.00 1.90 2.13 3.01 -0.34 -5.16 117.46 117.80 3jrm n PHE 232 Ca 0.00 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.62 3jrm n PHE 232 Cb 0.16 0.00 0.86 0.00 -0.01 0.00 0.00 39.48 40.50 3jrm n PHE 232 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05