#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 2.37 0.00 0.00 4.01 -1.26 -4.51 117.16 117.76 3jrm n TYR 8 Ca 0.00 -1.83 0.00 0.00 -0.16 0.00 0.00 57.90 55.91 3jrm n TYR 8 Cb 0.00 -0.92 0.00 0.00 -0.31 0.00 0.00 39.34 38.11 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 -0.62 0.05 -0.01 7.72 2.03 -1.26 -4.45 116.55 120.01 3jrm n ASP 9 Ca 0.46 -0.11 0.02 0.00 0.52 0.00 0.00 54.79 55.68 3jrm n ASP 9 Cb 1.16 0.22 -0.02 0.00 -0.72 0.00 0.00 41.12 41.76 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 -0.23 5.41 -3.82 -0.67 5.12 -1.26 -4.42 116.66 116.79 3jrm n ARG 10 Ca 0.00 -0.05 -0.20 0.00 -1.93 0.00 0.00 57.85 55.67 3jrm n ARG 10 Cb 0.00 -0.69 -0.17 0.00 -1.16 0.00 0.00 32.46 30.44 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 -1.26 0.45 0.60 7.54 0.00 -1.26 -5.03 121.76 122.80 3jrm s ALA 11 Ca 0.02 0.05 0.28 0.00 0.00 0.00 0.00 51.96 52.31 3jrm s ALA 11 Cb 0.03 -0.55 1.42 0.00 0.00 0.00 0.00 23.12 24.01 3jrm s ALA 11 CO 0.14 -0.31 1.83 0.97 0.00 0.00 0.00 175.76 178.38 3jrm h ILE 12 N 6.32 0.29 -0.28 0.00 6.09 -1.93 -2.08 117.51 125.91 3jrm h ILE 12 Ca -0.26 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.23 3jrm h ILE 12 Cb 1.13 0.55 0.00 0.00 0.47 0.00 0.00 36.82 38.97 3jrm h ILE 12 CO 0.32 0.00 0.00 0.35 -3.07 0.00 0.00 178.15 175.75 3jrm n THR 13 N -3.57 0.36 -3.80 2.19 -2.24 -1.26 -4.72 114.28 101.23 3jrm n THR 13 Ca 0.09 -0.53 -0.36 0.00 -2.27 0.00 0.00 64.05 60.97 3jrm n THR 13 Cb 0.74 0.64 -0.12 0.00 -2.10 0.00 0.00 70.33 69.48 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 -1.64 4.45 0.27 2.28 1.01 -0.78 -5.09 120.40 120.89 3jrm s VAL 14 Ca 0.35 -0.13 -0.24 0.00 0.00 0.00 0.00 61.98 61.95 3jrm s VAL 14 Cb 0.20 -3.07 -0.09 0.00 0.00 0.00 0.00 36.38 33.42 3jrm s VAL 14 CO 0.28 0.35 0.86 -0.36 0.00 0.00 0.00 175.10 176.23 3jrm s PHE 15 N 1.41 3.72 0.79 5.22 0.08 -1.26 -4.68 117.98 123.26 3jrm s PHE 15 Ca 0.05 1.66 -0.12 0.00 0.12 0.00 0.00 56.93 58.65 3jrm s PHE 15 Cb -0.15 -2.82 0.07 0.00 -0.57 0.00 0.00 43.02 39.55 3jrm s PHE 15 CO 0.04 0.30 1.10 -1.54 -0.10 0.00 0.00 175.22 175.02 3jrm s SER 16 N -1.55 4.58 0.54 1.36 1.04 -0.14 -4.89 113.70 114.65 3jrm s SER 16 Ca 0.46 1.21 0.36 0.00 0.48 0.00 0.00 55.95 58.47 3jrm s SER 16 Cb -0.19 -1.93 1.93 0.00 0.10 0.00 0.00 66.02 65.93 3jrm s SER 16 CO 0.24 -1.90 2.11 -0.65 0.98 0.00 0.00 173.24 174.02 3jrm h PRO 17 N -1.04 0.00 -0.26 4.02 0.11 -1.97 0.16 132.00 133.02 3jrm h PRO 17 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 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 0.61 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.15 3jrm n ASP 18 N -2.80 2.19 -1.10 -2.05 8.00 -1.26 -4.95 116.55 114.58 3jrm n ASP 18 Ca -0.02 -1.83 -0.02 0.00 0.71 0.00 0.00 54.79 53.63 3jrm n ASP 18 Cb 0.08 -0.17 0.01 0.00 -0.02 0.00 0.00 41.12 41.03 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 1.23 0.53 3.47 0.44 0.00 0.56 -5.07 105.19 106.35 3jrm n GLY 19 Ca 0.17 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 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 -4.56 1.69 -0.56 1.61 0.52 -1.25 -4.89 118.95 111.50 3jrm s ARG 20 Ca 0.03 -1.42 0.03 0.00 -0.52 0.00 0.00 55.73 53.85 3jrm s ARG 20 Cb -0.01 -1.96 0.14 0.00 0.52 0.00 0.00 34.95 33.64 3jrm s ARG 20 CO 0.08 0.42 0.32 -0.51 0.02 0.00 0.00 175.30 175.63 3jrm s LEU 21 N -2.66 4.50 0.23 2.53 1.43 -1.26 -0.97 118.68 122.48 3jrm s LEU 21 Ca 0.22 -3.14 -0.04 0.00 -1.03 0.00 0.00 54.13 50.14 3jrm s LEU 21 Cb -0.08 -1.67 0.25 0.00 0.03 0.00 0.00 46.19 44.72 3jrm s LEU 21 CO 0.11 -0.22 1.73 -0.26 0.23 0.00 0.00 176.35 177.94 3jrm h PHE 22 N 6.38 0.97 -0.78 0.29 0.04 -1.83 -1.22 116.94 120.78 3jrm h PHE 22 Ca -0.04 -0.14 0.08 0.00 2.80 0.00 0.00 57.97 60.68 3jrm h PHE 22 Cb 0.88 -0.26 -0.05 0.00 2.20 0.00 0.00 35.95 38.71 3jrm h PHE 22 CO 0.57 0.86 0.51 0.37 -0.60 0.00 0.00 178.31 180.02 3jrm h GLN 23 N 0.84 0.75 -0.47 1.51 5.75 -1.86 0.35 115.11 121.98 3jrm h GLN 23 Ca 0.16 -0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 58.51 3jrm h GLN 23 Cb 0.46 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.83 3jrm h GLN 23 CO 0.02 0.50 -0.15 0.28 -2.65 0.00 0.00 178.83 176.83 3jrm h VAL 24 N 0.77 1.27 -0.12 2.39 2.07 -1.61 -1.28 116.25 119.74 3jrm h VAL 24 Ca 0.35 -1.27 -0.09 0.00 0.82 0.00 0.00 66.70 66.51 3jrm h VAL 24 Cb 0.35 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3jrm h VAL 24 CO -0.13 0.44 -0.33 -0.33 0.02 0.00 0.00 177.57 177.23 3jrm h GLU 25 N 0.79 0.25 -0.19 1.57 5.08 -0.44 -2.27 114.58 119.37 3jrm h GLU 25 Ca 0.12 -0.10 -0.19 0.00 -1.00 0.00 0.00 59.36 58.19 3jrm h GLU 25 Cb 0.68 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3jrm h GLU 25 CO 0.05 0.56 -0.63 1.88 -1.00 0.00 0.00 179.01 179.87 3jrm h TYR 26 N 0.22 0.90 -0.98 4.33 0.99 -0.08 -2.61 116.97 119.74 3jrm h TYR 26 Ca 0.03 -0.35 0.13 0.00 2.00 0.00 0.00 58.73 60.54 3jrm h TYR 26 Cb 0.70 -0.16 -0.08 0.00 1.00 0.00 0.00 36.73 38.19 3jrm h TYR 26 CO 0.01 1.14 0.62 0.00 -0.00 0.00 0.00 178.16 179.93 3jrm h ALA 27 N 0.78 1.59 0.00 3.88 0.00 -0.88 -1.14 119.26 123.48 3jrm h ALA 27 Ca -0.01 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3jrm h ALA 27 Cb 1.22 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3jrm h ALA 27 CO 0.13 0.16 -0.14 0.00 0.00 0.00 0.00 179.25 179.39 3jrm h ARG 28 N 0.93 0.00 -0.07 0.00 3.08 -1.04 -1.56 114.38 115.72 3jrm h ARG 28 Ca 0.49 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.44 3jrm h ARG 28 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3jrm h ARG 28 CO -0.26 0.14 -0.43 0.93 -1.07 0.00 0.00 179.97 179.28 3jrm h GLU 29 N 0.00 0.16 -0.82 0.04 4.39 -1.03 -2.70 114.58 114.62 3jrm h GLU 29 Ca -0.00 -0.08 0.09 0.00 0.34 0.00 0.00 59.36 59.71 3jrm h GLU 29 Cb 0.26 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.85 3jrm h GLU 29 CO 0.02 0.56 0.54 0.00 -1.16 0.00 0.00 179.01 178.97 3jrm h ALA 30 N 1.43 1.71 -0.48 3.43 0.00 -1.10 -2.34 119.26 121.91 3jrm h ALA 30 Ca 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3jrm h ALA 30 Cb 0.81 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3jrm h ALA 30 CO 0.06 0.13 0.12 0.28 0.00 0.00 0.00 179.25 179.84 3jrm h VAL 31 N 0.79 1.21 0.00 0.00 2.07 -1.47 -2.69 116.25 116.15 3jrm h VAL 31 Ca 0.38 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 3jrm h VAL 31 Cb 0.41 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3jrm h VAL 31 CO -0.15 0.27 -0.06 0.11 0.02 0.00 0.00 177.57 177.77 3jrm h LYS 32 N 0.70 0.00 -0.00 1.57 1.57 -1.45 -1.99 116.57 116.97 3jrm h LYS 32 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3jrm h LYS 32 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3jrm h LYS 32 CO -0.00 0.06 -0.04 1.63 -0.57 0.00 0.00 179.45 180.53 3jrm n LYS 33 N -3.41 0.50 -2.43 3.15 5.02 -1.02 -2.72 118.16 117.26 3jrm n LYS 33 Ca -0.02 -0.06 -0.29 0.00 -2.02 0.00 0.00 58.31 55.92 3jrm n LYS 33 Cb 0.19 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.70 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 -2.54 1.64 0.58 0.72 0.00 -0.75 -4.89 107.32 102.08 3jrm s GLY 34 Ca 0.29 -0.30 -0.16 0.00 0.00 0.00 0.00 44.72 44.55 3jrm s GLY 34 CO 0.47 -0.10 1.04 -1.35 0.00 0.00 0.00 173.10 173.16 3jrm s SER 35 N -3.94 5.94 0.35 1.64 1.04 -1.26 -0.67 113.70 116.81 3jrm s SER 35 Ca 0.51 1.77 -0.27 0.00 0.48 0.00 0.00 55.95 58.44 3jrm s SER 35 Cb -0.10 -2.53 -0.09 0.00 0.10 0.00 0.00 66.02 63.40 3jrm s SER 35 CO 0.45 -1.06 1.17 -0.89 0.98 0.00 0.00 173.24 173.89 3jrm s THR 36 N -2.49 3.20 0.05 2.02 2.01 -1.26 -4.54 115.64 114.63 3jrm s THR 36 Ca 0.63 1.09 -0.00 0.00 0.31 0.00 0.00 61.69 63.71 3jrm s THR 36 Cb -0.15 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 3jrm s THR 36 CO 0.36 0.17 -0.04 0.00 -0.69 0.00 0.00 174.62 174.43 3jrm s ALA 37 N -1.31 0.48 0.14 7.40 0.00 -0.50 -1.28 121.76 126.68 3jrm s ALA 37 Ca 0.52 -1.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.30 3jrm s ALA 37 Cb -0.32 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.03 3jrm s ALA 37 CO 0.41 -0.30 0.30 -0.48 0.00 0.00 0.00 175.76 175.69 3jrm s LEU 38 N -2.57 0.92 0.01 0.00 0.05 0.51 -1.36 118.68 116.24 3jrm s LEU 38 Ca 0.02 -0.68 -0.05 0.00 0.05 0.00 0.00 54.13 53.47 3jrm s LEU 38 Cb 0.03 1.34 -0.00 0.00 -2.05 0.00 0.00 46.19 45.51 3jrm s LEU 38 CO -0.07 -0.86 0.09 -0.83 -0.55 0.00 0.00 176.35 174.13 3jrm s GLY 39 N -2.90 0.09 -0.04 -3.48 0.00 -0.58 -0.86 107.32 99.55 3jrm s GLY 39 Ca 0.10 -0.23 -0.07 0.00 0.00 0.00 0.00 44.72 44.52 3jrm s GLY 39 CO -0.05 -0.35 0.18 -3.16 0.00 0.00 0.00 173.10 169.72 3jrm s MET 40 N -1.33 0.35 0.33 2.90 0.23 -0.85 -1.59 119.30 119.35 3jrm s MET 40 Ca -0.14 -0.01 -0.27 0.00 -1.03 0.00 0.00 55.69 54.24 3jrm s MET 40 Cb -0.08 0.16 -0.09 0.00 -1.53 0.00 0.00 34.83 33.28 3jrm s MET 40 CO 0.01 -0.07 1.05 0.15 -2.03 0.00 0.00 175.02 174.13 3jrm s LYS 41 N -0.54 4.44 0.00 3.16 1.02 0.11 -1.76 119.74 126.17 3jrm s LYS 41 Ca -0.06 1.62 0.00 0.00 0.02 0.00 0.00 55.97 57.54 3jrm s LYS 41 Cb -0.04 -2.88 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 3jrm s LYS 41 CO 0.01 0.08 0.00 1.97 -0.92 0.00 0.00 175.35 176.49 3jrm n PHE 42 N 0.60 0.00 -1.55 3.18 1.16 -0.32 -4.64 117.46 115.89 3jrm n PHE 42 Ca 0.02 0.00 -0.46 0.00 -1.87 0.00 0.00 57.45 55.14 3jrm n PHE 42 Cb 0.47 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.30 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 1.55 -3.04 1.98 0.00 -0.28 -2.34 120.51 115.38 3jrm n ALA 43 Ca 0.00 -0.17 -0.22 0.00 0.00 0.00 0.00 53.44 53.05 3jrm n ALA 43 Cb 0.00 -2.79 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 10.96 -5.10 -3.16 0.00 5.03 -1.26 -4.83 115.26 116.90 3jrm n ASN 44 Ca 0.33 -0.26 -0.01 0.00 0.87 0.00 0.00 54.58 55.51 3jrm n ASN 44 Cb 0.38 -4.17 0.02 0.00 -1.02 0.00 0.00 39.78 34.98 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 -1.31 0.55 3.34 7.41 0.00 -0.99 -0.14 105.19 114.06 3jrm n GLY 45 Ca -0.09 -1.09 -0.14 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 -2.09 0.03 0.13 1.61 0.11 -0.75 -1.17 120.40 118.25 3jrm s VAL 46 Ca 0.22 -0.23 0.01 0.00 -2.93 0.00 0.00 61.98 59.05 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 -0.13 -0.01 -1.48 -3.33 0.00 0.00 175.10 170.18 3jrm s LEU 47 N -0.87 2.20 -0.02 2.54 0.05 -0.73 -2.03 118.68 119.83 3jrm s LEU 47 Ca -0.09 -1.11 0.03 0.00 0.05 0.00 0.00 54.13 53.01 3jrm s LEU 47 Cb -0.03 0.04 -0.01 0.00 -2.05 0.00 0.00 46.19 44.14 3jrm s LEU 47 CO 0.05 -0.58 -0.11 -0.76 -0.55 0.00 0.00 176.35 174.40 3jrm s LEU 48 N -3.08 1.96 -0.04 1.48 1.43 -0.03 -2.00 118.68 118.39 3jrm s LEU 48 Ca 0.19 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 3jrm s LEU 48 Cb 0.06 -0.61 0.01 0.00 0.03 0.00 0.00 46.19 45.68 3jrm s LEU 48 CO -0.01 0.12 -0.11 -0.63 0.23 0.00 0.00 176.35 175.96 3jrm s ILE 49 N -0.14 0.98 -0.09 -0.59 1.01 -0.04 -1.56 121.20 120.79 3jrm s ILE 49 Ca 0.02 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.24 3jrm s ILE 49 Cb -0.06 -0.88 0.02 0.00 0.01 0.00 0.00 42.46 41.55 3jrm s ILE 49 CO -0.00 0.30 -0.12 -0.55 0.00 0.00 0.00 174.94 174.58 3jrm s SER 50 N 0.32 2.01 0.48 3.58 0.15 -0.34 -0.36 113.70 119.54 3jrm s SER 50 Ca -0.06 -0.33 -0.22 0.00 0.70 0.00 0.00 55.95 56.04 3jrm s SER 50 Cb -0.11 -0.88 -0.07 0.00 -1.71 0.00 0.00 66.02 63.25 3jrm s SER 50 CO 0.02 -0.01 1.19 -0.62 1.20 0.00 0.00 173.24 175.01 3jrm s ASP 51 N 1.02 5.96 -0.21 5.45 2.15 -0.41 -1.25 116.67 129.38 3jrm s ASP 51 Ca -0.08 2.36 0.01 0.00 0.43 0.00 0.00 52.55 55.28 3jrm s ASP 51 Cb -0.15 -2.61 0.05 0.00 -0.30 0.00 0.00 42.92 39.92 3jrm s ASP 51 CO -0.01 -1.07 -0.08 -0.54 -0.17 0.00 0.00 175.17 173.31 3jrm s LYS 52 N -2.80 1.84 -0.88 4.34 1.02 -1.26 -4.63 119.74 117.36 3jrm s LYS 52 Ca 0.66 -0.90 -0.26 0.00 0.02 0.00 0.00 55.97 55.49 3jrm s LYS 52 Cb -0.30 -2.48 -0.16 0.00 -0.52 0.00 0.00 37.83 34.38 3jrm s LYS 52 CO 0.36 -0.50 2.30 -1.59 -0.92 0.00 0.00 175.35 175.00 3jrm s LYS 53 N 1.40 1.54 0.21 1.68 -2.85 -1.26 -4.91 119.74 115.55 3jrm s LYS 53 Ca -0.03 0.16 -0.30 0.00 -1.00 0.00 0.00 55.97 54.80 3jrm s LYS 53 Cb -0.17 -4.86 -0.08 0.00 -2.06 0.00 0.00 37.83 30.65 3jrm s LYS 53 CO -0.07 -4.69 1.04 0.08 0.10 0.00 0.00 175.35 171.80 3jrm s VAL 54 N 15.15 3.89 0.00 1.79 1.01 -1.26 -4.95 120.40 136.03 3jrm s VAL 54 Ca 0.88 1.76 0.00 0.00 0.00 0.00 0.00 61.98 64.62 3jrm s VAL 54 Cb -0.10 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.15 3jrm s VAL 54 CO 0.10 0.36 0.68 -2.11 0.00 0.00 0.00 175.10 174.13 3jrm n ARG 55 N 1.87 0.00 0.00 2.72 -4.01 -1.26 -5.09 116.66 110.88 3jrm n ARG 55 Ca 0.00 -0.50 0.00 0.00 -1.04 0.00 0.00 57.85 56.32 3jrm n ARG 55 Cb 0.46 -0.27 0.00 0.00 -3.04 0.00 0.00 32.46 29.61 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 0.17 2.89 2.88 -1.26 -4.98 113.62 113.32 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 0.59 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 64.49 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 -3.10 114.38 107.88 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 0.00-10.17 0.08 3.38 -2.06 -3.45 115.31 103.09 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 0.62 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.45 3jrm h LEU 58 CO 0.00 0.00 0.39 -0.63 0.09 0.00 0.00 178.44 178.29 3jrm s ILE 59 N -3.22 3.49 -0.33 1.22 -1.09 -1.17 -5.02 121.20 115.07 3jrm s ILE 59 Ca 0.07 0.75 -0.20 0.00 -2.23 0.00 0.00 60.65 59.04 3jrm s ILE 59 Cb 0.11 -3.27 -0.00 0.00 -1.58 0.00 0.00 42.46 37.72 3jrm s ILE 59 CO 0.51 -0.37 0.62 -1.61 -1.23 0.00 0.00 174.94 172.86 3jrm s GLU 60 N -3.89 3.76 -0.06 2.79 0.41 -1.26 -4.98 118.70 115.47 3jrm s GLU 60 Ca 0.67 0.12 -0.17 0.00 -0.41 0.00 0.00 54.97 55.18 3jrm s GLU 60 Cb -0.19 -3.78 -0.13 0.00 -1.78 0.00 0.00 34.13 28.26 3jrm s GLU 60 CO 0.36 -0.66 0.68 0.37 -0.49 0.00 0.00 175.26 175.52 3jrm h GLN 61 N 8.36 -0.23 0.00 1.61 -0.00 -1.94 -3.24 115.11 119.67 3jrm h GLN 61 Ca -0.27 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.40 3jrm h GLN 61 Cb 1.12 0.05 0.00 0.00 0.00 0.00 0.00 27.48 28.65 3jrm h GLN 61 CO 0.81 0.13 0.21 -2.95 0.00 0.00 0.00 178.83 177.03 3jrm h ASN 62 N -0.95 0.00 0.00 -0.69 7.08 -2.05 -3.34 115.58 115.62 3jrm h ASN 62 Ca -0.02 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.20 3jrm h ASN 62 Cb 0.46 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.70 3jrm h ASN 62 CO 0.04 0.00 0.00 -0.24 -2.08 0.00 0.00 177.43 175.15 3jrm n SER 63 N -2.52 0.00 -3.55 6.14 2.88 -1.22 -4.95 113.62 110.40 3jrm n SER 63 Ca -0.02 0.00 -0.51 0.00 -1.33 0.00 0.00 58.87 57.02 3jrm n SER 63 Cb 0.25 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.63 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 -3.61 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 -0.39 -0.07 0.00 -1.44 0.00 0.00 39.64 37.75 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 3.00 0.91 0.11 6.28 -1.05 -1.26 -4.93 118.70 121.76 3jrm s GLU 65 Ca 0.84 0.05 0.11 0.00 -0.15 0.00 0.00 54.97 55.82 3jrm s GLU 65 Cb -1.16 0.42 -0.14 0.00 -0.44 0.00 0.00 34.13 32.81 3jrm s GLU 65 CO 0.60 -0.28 1.12 0.87 0.95 0.00 0.00 175.26 178.52 3jrm h LYS 66 N 3.29 0.00 -6.43 -4.83 1.57 -1.93 -3.44 116.57 104.81 3jrm h LYS 66 Ca -0.28 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.96 3jrm h LYS 66 Cb 1.16 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 3jrm h LYS 66 CO 0.40 0.68 0.34 0.42 -0.57 0.00 0.00 179.45 180.71 3jrm s ILE 67 N -2.77 4.76 -0.04 1.86 1.01 -1.26 -3.87 121.20 120.88 3jrm s ILE 67 Ca -0.00 2.00 0.01 0.00 0.00 0.00 0.00 60.65 62.66 3jrm s ILE 67 Cb 0.09 -4.29 0.02 0.00 0.01 0.00 0.00 42.46 38.29 3jrm s ILE 67 CO 0.80 0.23 -0.06 -1.10 0.00 0.00 0.00 174.94 174.81 3jrm s GLN 68 N 0.62 0.94 0.14 2.79 -1.52 0.17 -4.98 119.66 117.81 3jrm s GLN 68 Ca 0.49 -0.16 -0.31 0.00 -1.95 0.00 0.00 55.36 53.44 3jrm s GLN 68 Cb -0.21 -0.90 -0.08 0.00 -0.22 0.00 0.00 33.01 31.60 3jrm s GLN 68 CO 0.28 -0.05 1.30 -0.51 -0.25 0.00 0.00 175.29 176.05 3jrm s LEU 69 N 0.82 4.39 -0.13 2.90 1.43 -1.26 -0.87 118.68 125.95 3jrm s LEU 69 Ca -0.12 2.26 -0.07 0.00 -1.03 0.00 0.00 54.13 55.17 3jrm s LEU 69 Cb -0.14 -3.59 -0.25 0.00 0.03 0.00 0.00 46.19 42.23 3jrm s LEU 69 CO 0.01 -0.53 0.32 -0.38 0.23 0.00 0.00 176.35 176.00 3jrm n ILE 70 N 3.36 1.75 -2.49 -0.59 2.08 0.11 -4.91 119.36 118.68 3jrm n ILE 70 Ca 0.08 -0.61 0.00 0.00 0.56 0.00 0.00 62.75 62.79 3jrm n ILE 70 Cb 0.44 -1.74 0.00 0.00 -0.75 0.00 0.00 39.64 37.58 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 -3.54 0.00 0.24 4.38 3.85 -0.91 -4.70 116.55 115.86 3jrm n ASP 71 Ca -0.33 0.00 0.15 0.00 -0.71 0.00 0.00 54.79 53.90 3jrm n ASP 71 Cb 1.02 0.00 0.49 0.00 -1.35 0.00 0.00 41.12 41.28 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 -0.10 -1.12 3.32 -2.00 -3.27 116.42 113.26 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 -2.97 0.12 -3.74 4.55 4.02 -1.26 -1.66 117.16 116.22 3jrm n TYR 73 Ca 0.02 -0.22 -0.12 0.00 -0.01 0.00 0.00 57.90 57.57 3jrm n TYR 73 Cb 0.38 -0.02 -0.12 0.00 -0.02 0.00 0.00 39.34 39.56 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 -0.75 -0.03 0.18 -0.72 1.01 -1.23 -1.89 120.40 116.98 3jrm s VAL 74 Ca 0.10 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.21 3jrm s VAL 74 Cb 0.06 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.99 3jrm s VAL 74 CO 0.09 0.04 -0.03 0.00 0.00 0.00 0.00 175.10 175.20 3jrm s ALA 75 N 0.97 1.52 0.02 5.51 0.00 -0.28 0.09 121.76 129.60 3jrm s ALA 75 Ca -0.07 -1.62 0.01 0.00 0.00 0.00 0.00 51.96 50.29 3jrm s ALA 75 Cb -0.08 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.41 3jrm s ALA 75 CO -0.07 -0.23 -0.05 0.00 0.00 0.00 0.00 175.76 175.41 3jrm s ALA 76 N -3.49 0.32 0.13 0.00 0.00 -0.05 -1.48 121.76 117.18 3jrm s ALA 76 Ca 0.23 -0.51 0.10 0.00 0.00 0.00 0.00 51.96 51.77 3jrm s ALA 76 Cb 0.05 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 3jrm s ALA 76 CO 0.04 -0.04 -0.20 0.14 0.00 0.00 0.00 175.76 175.69 3jrm s VAL 77 N -1.01 2.67 0.18 0.00 -7.23 -0.32 -0.66 120.40 114.03 3jrm s VAL 77 Ca -0.09 -1.62 0.05 0.00 -1.81 0.00 0.00 61.98 58.52 3jrm s VAL 77 Cb -0.07 -2.22 -0.05 0.00 0.56 0.00 0.00 36.38 34.60 3jrm s VAL 77 CO -0.00 0.07 -0.10 0.42 -0.31 0.00 0.00 175.10 175.18 3jrm s THR 78 N -1.19 1.35 -0.11 5.32 -4.23 -1.25 -0.88 115.64 114.64 3jrm s THR 78 Ca 0.17 -2.11 -0.08 0.00 -1.18 0.00 0.00 61.69 58.49 3jrm s THR 78 Cb -0.10 -1.99 0.04 0.00 1.34 0.00 0.00 72.50 71.79 3jrm s THR 78 CO 0.09 -0.64 0.29 -0.55 -0.54 0.00 0.00 174.62 173.28 3jrm s SER 79 N -3.24 -0.32 0.00 3.99 0.15 -0.62 -4.95 113.70 108.71 3jrm s SER 79 Ca 0.20 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.45 3jrm s SER 79 Cb 0.02 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 3jrm s SER 79 CO 0.04 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.96 3jrm n GLY 80 N 3.48 0.41 3.65 9.45 0.00 -1.26 -1.63 105.19 119.29 3jrm n GLY 80 Ca -0.18 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 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 4.19 0.14 0.99 1.43 -0.13 -4.72 118.68 120.57 3jrm s LEU 81 Ca 0.00 2.38 -0.18 0.00 -1.03 0.00 0.00 54.13 55.30 3jrm s LEU 81 Cb 0.00 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.67 3jrm s LEU 81 CO 0.00 -1.22 1.79 -0.37 0.23 0.00 0.00 176.35 176.78 3jrm h VAL 82 N 5.95 1.09 -0.37 -1.59 -1.51 -1.96 -1.39 116.25 116.48 3jrm h VAL 82 Ca -0.45 -0.17 -0.01 0.00 -1.23 0.00 0.00 66.70 64.84 3jrm h VAL 82 Cb 1.22 0.64 -0.02 0.00 -2.13 0.00 0.00 31.29 31.00 3jrm h VAL 82 CO 0.95 0.08 0.20 0.00 -1.23 0.00 0.00 177.57 177.58 3jrm h ALA 83 N 1.11 0.47 -0.49 5.19 0.00 -2.00 -0.66 119.26 122.88 3jrm h ALA 83 Ca 0.11 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.03 3jrm h ALA 83 Cb -0.04 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.54 3jrm h ALA 83 CO -0.02 -0.00 0.11 -0.44 0.00 0.00 0.00 179.25 178.89 3jrm h ASP 84 N 0.47 0.02 -0.88 0.00 5.19 -1.92 -2.05 116.42 117.25 3jrm h ASP 84 Ca 0.13 0.08 0.04 0.00 -0.62 0.00 0.00 57.03 56.67 3jrm h ASP 84 Cb 0.06 0.11 -0.06 0.00 0.18 0.00 0.00 39.33 39.62 3jrm h ASP 84 CO -0.02 0.04 0.56 0.00 -3.12 0.00 0.00 179.24 176.70 3jrm h ALA 85 N 1.38 1.18 -0.48 3.45 0.00 -0.56 -1.66 119.26 122.58 3jrm h ALA 85 Ca 0.25 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3jrm h ALA 85 Cb 0.32 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3jrm h ALA 85 CO -0.31 0.37 0.25 -0.09 0.00 0.00 0.00 179.25 179.47 3jrm h ARG 86 N 1.07 0.68 -0.74 0.00 2.43 -0.45 -0.16 114.38 117.19 3jrm h ARG 86 Ca 0.36 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.38 3jrm h ARG 86 Cb 0.07 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 3jrm h ARG 86 CO -0.14 0.55 0.22 0.28 -1.51 0.00 0.00 179.97 179.38 3jrm h VAL 87 N 0.63 1.26 -0.20 0.20 2.07 -0.96 -1.50 116.25 117.74 3jrm h VAL 87 Ca 0.17 -0.92 -0.18 0.00 0.82 0.00 0.00 66.70 66.58 3jrm h VAL 87 Cb 0.09 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3jrm h VAL 87 CO -0.02 0.36 -0.59 -0.07 0.02 0.00 0.00 177.57 177.27 3jrm h LEU 88 N 1.11 0.74 -0.46 2.57 3.38 -0.91 -1.57 115.31 120.17 3jrm h LEU 88 Ca 0.24 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 3jrm h LEU 88 Cb 0.32 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3jrm h LEU 88 CO -0.01 1.17 0.19 0.58 0.09 0.00 0.00 178.44 180.46 3jrm h VAL 89 N 0.50 1.20 -0.90 1.22 2.07 -0.82 -0.42 116.25 119.09 3jrm h VAL 89 Ca -0.00 -0.62 0.04 0.00 0.82 0.00 0.00 66.70 66.94 3jrm h VAL 89 Cb 1.17 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 3jrm h VAL 89 CO 0.12 0.23 0.59 0.44 0.02 0.00 0.00 177.57 178.97 3jrm h ASP 90 N 0.60 0.97 -0.59 0.57 3.32 -1.16 -0.52 116.42 119.60 3jrm h ASP 90 Ca 0.15 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 3jrm h ASP 90 Cb 0.18 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 3jrm h ASP 90 CO -0.01 0.66 0.13 0.15 -1.72 0.00 0.00 179.24 178.45 3jrm h PHE 91 N 1.12 1.01 -0.78 4.55 3.57 -0.97 -1.66 116.94 123.78 3jrm h PHE 91 Ca 0.36 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.74 3jrm h PHE 91 Cb 0.04 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.46 3jrm h PHE 91 CO -0.00 0.86 0.50 0.00 -2.23 0.00 0.00 178.31 177.45 3jrm h ALA 92 N 1.03 0.99 -0.09 2.41 0.00 -0.37 0.36 119.26 123.59 3jrm h ALA 92 Ca 0.18 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3jrm h ALA 92 Cb 0.37 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3jrm h ALA 92 CO 0.00 0.42 -0.02 0.00 0.00 0.00 0.00 179.25 179.65 3jrm h ARG 93 N 1.06 0.18 -0.51 0.00 3.08 -0.80 -1.47 114.38 115.93 3jrm h ARG 93 Ca 0.28 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 3jrm h ARG 93 Cb -0.10 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 3jrm h ARG 93 CO -0.06 0.49 0.27 0.82 -1.07 0.00 0.00 179.97 180.42 3jrm h ILE 94 N -0.14 1.18 -0.82 2.04 2.04 -1.26 -2.20 117.51 118.34 3jrm h ILE 94 Ca 0.02 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 3jrm h ILE 94 Cb 0.42 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 3jrm h ILE 94 CO 0.01 0.20 0.50 -1.28 0.00 0.00 0.00 178.15 177.57 3jrm h SER 95 N 0.67 0.99 -0.29 1.72 0.87 -0.84 -0.40 113.55 116.27 3jrm h SER 95 Ca 0.18 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 3jrm h SER 95 Cb 0.07 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 3jrm h SER 95 CO -0.03 0.76 0.19 0.00 -0.53 0.00 0.00 176.83 177.23 3jrm h ALA 96 N 1.27 0.37 -0.18 6.23 0.00 -1.08 -2.51 119.26 123.36 3jrm h ALA 96 Ca 0.30 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 3jrm h ALA 96 Cb -0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3jrm h ALA 96 CO -0.06 -0.17 -0.20 1.96 0.00 0.00 0.00 179.25 180.79 3jrm h GLN 97 N 0.39 0.31 -0.84 0.00 1.08 -0.82 -1.53 115.11 113.70 3jrm h GLN 97 Ca 0.11 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 3jrm h GLN 97 Cb -0.04 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.31 3jrm h GLN 97 CO -0.02 0.51 0.51 1.96 -0.95 0.00 0.00 178.83 180.83 3jrm h GLN 98 N 0.29 1.14 -0.38 1.46 4.20 -0.88 -1.10 115.11 119.83 3jrm h GLN 98 Ca 0.05 -0.11 -0.14 0.00 0.06 0.00 0.00 58.65 58.51 3jrm h GLN 98 Cb 0.52 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 3jrm h GLN 98 CO 0.03 0.81 -0.33 1.49 -0.67 0.00 0.00 178.83 180.16 3jrm h GLU 99 N 1.16 0.87 -0.69 1.46 4.81 -1.01 -2.03 114.58 119.15 3jrm h GLU 99 Ca 0.30 -0.42 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 3jrm h GLU 99 Cb -0.04 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 3jrm h GLU 99 CO -0.06 1.06 0.27 0.87 -0.73 0.00 0.00 179.01 180.43 3jrm h LYS 100 N 0.72 1.03 -0.57 1.92 1.57 -0.97 -1.44 116.57 118.84 3jrm h LYS 100 Ca 0.07 -0.19 -0.11 0.00 -1.87 0.00 0.00 60.65 58.55 3jrm h LYS 100 Cb 0.90 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 3jrm h LYS 100 CO 0.08 0.86 -0.08 0.28 -0.57 0.00 0.00 179.45 180.02 3jrm h VAL 101 N 0.98 1.27 -0.37 0.50 2.07 -1.09 0.63 116.25 120.24 3jrm h VAL 101 Ca 0.23 -1.24 -0.12 0.00 0.82 0.00 0.00 66.70 66.39 3jrm h VAL 101 Cb 0.22 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3jrm h VAL 101 CO -0.02 0.44 -0.22 0.74 0.02 0.00 0.00 177.57 178.54 3jrm h THR 102 N 0.95 1.28 -0.00 2.57 2.02 -1.12 -3.37 112.91 115.25 3jrm h THR 102 Ca 0.15 -1.37 0.00 0.00 0.77 0.00 0.00 66.41 65.97 3jrm h THR 102 Cb 0.65 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 3jrm h THR 102 CO 0.05 0.45 -0.17 -1.22 0.37 0.00 0.00 175.52 175.00 3jrm n TYR 103 N -4.24 0.00 0.00 3.16 4.01 -0.56 -5.00 117.16 114.52 3jrm n TYR 103 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3jrm n TYR 103 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 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 1.06 2.76 3.83 2.72 0.00 0.22 -4.99 105.19 110.79 3jrm n GLY 104 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.70 -0.13 -0.84 1.61 1.04 -1.24 -4.92 113.70 107.52 3jrm s SER 105 Ca 0.00 -0.78 -0.04 0.00 0.48 0.00 0.00 55.95 55.61 3jrm s SER 105 Cb 0.00 0.72 0.21 0.00 0.10 0.00 0.00 66.02 67.05 3jrm s SER 105 CO 0.00 -1.37 0.73 -0.22 0.98 0.00 0.00 173.24 173.36 3jrm s LEU 106 N -3.02 5.67 0.15 2.42 0.20 -1.26 -4.48 118.68 118.35 3jrm s LEU 106 Ca 0.14 -3.41 -0.15 0.00 0.69 0.00 0.00 54.13 51.40 3jrm s LEU 106 Cb -0.05 -1.95 0.03 0.00 -0.43 0.00 0.00 46.19 43.79 3jrm s LEU 106 CO 0.08 -0.27 1.74 0.58 -0.29 0.00 0.00 176.35 178.18 3jrm h VAL 107 N 4.39 1.18 -3.28 1.68 2.07 -1.99 -3.41 116.25 116.89 3jrm h VAL 107 Ca 0.11 -0.50 -0.58 0.00 0.82 0.00 0.00 66.70 66.56 3jrm h VAL 107 Cb 0.87 0.66 -0.40 0.00 -1.52 0.00 0.00 31.29 30.91 3jrm h VAL 107 CO 0.82 0.20 -0.76 0.21 0.02 0.00 0.00 177.57 178.06 3jrm s ASN 108 N -5.82 3.78 0.57 0.57 3.84 -1.26 -1.65 114.94 114.97 3jrm s ASN 108 Ca -0.13 -1.40 0.32 0.00 0.21 0.00 0.00 52.86 51.86 3jrm s ASN 108 Cb 0.11 -0.89 1.42 0.00 -0.55 0.00 0.00 41.25 41.34 3jrm s ASN 108 CO 0.75 -0.36 1.74 0.40 -2.79 0.00 0.00 177.10 176.84 3jrm h ILE 109 N 6.53 0.30 -0.92 -5.21 2.04 -1.94 -1.11 117.51 117.20 3jrm h ILE 109 Ca -0.14 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.85 3jrm h ILE 109 Cb 1.05 0.39 -0.07 0.00 -0.74 0.00 0.00 36.82 37.45 3jrm h ILE 109 CO 0.43 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 -0.31 2.37 4.81 -1.98 -2.22 114.58 118.01 3jrm h GLU 110 Ca 0.44 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.45 3jrm h GLU 110 Cb 2.05 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 31.26 3jrm h GLU 110 CO -0.00 0.50 -0.48 -0.91 -0.73 0.00 0.00 179.01 177.38 3jrm h ASN 111 N 0.78 0.96 -0.62 1.04 4.21 -1.63 0.07 115.58 120.39 3jrm h ASN 111 Ca 0.46 -0.51 0.11 0.00 1.21 0.00 0.00 56.30 57.56 3jrm h ASN 111 Cb 0.65 -0.27 -0.08 0.00 -1.12 0.00 0.00 38.32 37.50 3jrm h ASN 111 CO -0.22 1.29 0.20 0.25 -1.29 0.00 0.00 177.43 177.66 3jrm h LEU 112 N 0.67 0.15 -0.35 1.61 5.85 -1.56 -1.09 115.31 120.59 3jrm h LEU 112 Ca 0.03 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 3jrm h LEU 112 Cb 1.09 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 3jrm h LEU 112 CO 0.11 0.09 0.03 0.58 -0.34 0.00 0.00 178.44 178.91 3jrm h VAL 113 N 0.36 1.25 -0.92 1.05 2.07 -1.06 -2.46 116.25 116.53 3jrm h VAL 113 Ca 0.32 -0.89 0.11 0.00 0.82 0.00 0.00 66.70 67.06 3jrm h VAL 113 Cb 0.43 1.15 -0.08 0.00 -1.52 0.00 0.00 31.29 31.28 3jrm h VAL 113 CO -0.35 0.30 0.56 0.11 0.02 0.00 0.00 177.57 178.20 3jrm h LYS 114 N 0.41 0.88 -0.74 1.57 1.57 -0.48 0.22 116.57 120.01 3jrm h LYS 114 Ca 0.10 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 3jrm h LYS 114 Cb 0.40 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 3jrm h LYS 114 CO 0.01 0.58 0.24 0.00 -0.57 0.00 0.00 179.45 179.72 3jrm h ARG 115 N 0.91 1.13 -0.38 3.15 3.08 -0.83 0.31 114.38 121.74 3jrm h ARG 115 Ca 0.45 -0.23 -0.13 0.00 0.07 0.00 0.00 59.98 60.14 3jrm h ARG 115 Cb 0.42 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3jrm h ARG 115 CO -0.26 0.95 -0.26 0.28 -1.07 0.00 0.00 179.97 179.61 3jrm h VAL 116 N 1.09 1.28 -0.29 2.04 2.07 -0.91 -2.30 116.25 119.22 3jrm h VAL 116 Ca 0.24 -1.42 -0.05 0.00 0.82 0.00 0.00 66.70 66.30 3jrm h VAL 116 Cb 0.28 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 3jrm h VAL 116 CO -0.01 0.47 -0.02 0.00 0.02 0.00 0.00 177.57 178.03 3jrm h ALA 117 N 0.78 1.42 -0.30 1.67 0.00 -0.17 -2.11 119.26 120.56 3jrm h ALA 117 Ca 0.07 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 3jrm h ALA 117 Cb 0.83 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 3jrm h ALA 117 CO 0.07 0.41 -0.49 -0.44 0.00 0.00 0.00 179.25 178.80 3jrm h ASP 118 N 0.44 0.95 -0.92 0.00 3.32 -0.25 -0.16 116.42 119.79 3jrm h ASP 118 Ca 0.09 -0.52 0.07 0.00 0.02 0.00 0.00 57.03 56.69 3jrm h ASP 118 Cb 0.32 -0.27 -0.07 0.00 0.22 0.00 0.00 39.33 39.53 3jrm h ASP 118 CO 0.01 1.28 0.58 -0.61 -1.72 0.00 0.00 179.24 178.79 3jrm h GLN 119 N 0.64 1.02 -0.31 3.56 5.75 -1.22 -1.70 115.11 122.85 3jrm h GLN 119 Ca 0.02 -0.06 -0.18 0.00 -0.15 0.00 0.00 58.65 58.29 3jrm h GLN 119 Cb 1.09 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 29.41 3jrm h GLN 119 CO 0.11 0.67 -0.50 0.52 -2.65 0.00 0.00 178.83 176.99 3jrm h MET 120 N 1.05 0.89 -0.75 1.69 2.86 -1.07 -3.23 114.93 116.36 3jrm h MET 120 Ca 0.41 -0.54 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 3jrm h MET 120 Cb 0.20 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 3jrm h MET 120 CO -0.18 1.18 0.31 0.37 1.06 0.00 0.00 176.91 179.64 3jrm h GLN 121 N 0.68 1.10 -0.75 1.72 -0.00 -0.70 -2.37 115.11 114.79 3jrm h GLN 121 Ca 0.03 -0.19 0.15 0.00 -0.00 0.00 0.00 58.65 58.64 3jrm h GLN 121 Cb 1.10 -0.19 -0.10 0.00 0.00 0.00 0.00 27.48 28.30 3jrm h GLN 121 CO 0.11 0.89 0.28 1.96 0.00 0.00 0.00 178.83 182.07 3jrm h GLN 122 N 1.08 0.39 0.00 1.69 4.20 -1.34 -0.07 115.11 121.06 3jrm h GLN 122 Ca 0.25 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3jrm h GLN 122 Cb 0.19 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3jrm h GLN 122 CO -0.02 0.26 0.00 0.66 -0.67 0.00 0.00 178.83 179.05 3jrm n TYR 123 N -5.04 0.00 -0.16 2.96 4.02 -0.90 -1.60 117.16 116.45 3jrm n TYR 123 Ca 0.15 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 58.08 3jrm n TYR 123 Cb 0.43 0.00 0.11 0.00 -0.02 0.00 0.00 39.34 39.87 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 -0.60 1.05 0.00 -0.72 -2.24 -0.04 -3.06 114.28 108.67 3jrm n THR 124 Ca 0.04 -1.04 0.00 0.00 -2.27 0.00 0.00 64.05 60.78 3jrm n THR 124 Cb 0.02 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 0.18 2.40 -3.99 -0.78 7.27 -0.63 -4.77 117.38 117.06 3jrm n GLN 125 Ca 0.09 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.81 3jrm n GLN 125 Cb 0.39 -0.73 -0.11 0.00 2.41 0.00 0.00 30.24 32.20 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 -1.26 3.14 0.74 3.69 2.02 -1.15 -4.82 117.35 119.72 3jrm s TYR 126 Ca 0.00 -0.18 -0.14 0.00 -0.37 0.00 0.00 57.07 56.38 3jrm s TYR 126 Cb 0.00 -2.12 0.05 0.00 -0.40 0.00 0.00 41.96 39.49 3jrm s TYR 126 CO 0.00 -0.08 1.18 0.20 -1.57 0.00 0.00 175.55 175.28 3jrm s GLY 127 N 0.85 2.21 0.00 0.71 0.00 -1.26 -3.68 107.32 106.15 3jrm s GLY 127 Ca 0.03 0.77 0.00 0.00 0.00 0.00 0.00 44.72 45.52 3jrm s GLY 127 CO 0.02 1.17 0.00 0.61 0.00 0.00 0.00 173.10 174.90 3jrm n GLY 128 N 0.16 0.76 3.24 0.20 0.00 -1.26 -5.06 105.19 103.24 3jrm n GLY 128 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 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 1.22 0.20 1.61 -7.23 -1.24 -5.16 120.40 107.62 3jrm s VAL 129 Ca 0.00 -1.87 0.05 0.00 -1.81 0.00 0.00 61.98 58.34 3jrm s VAL 129 Cb 0.00 -1.66 -0.03 0.00 0.56 0.00 0.00 36.38 35.25 3jrm s VAL 129 CO 0.00 -0.59 0.26 0.00 -0.31 0.00 0.00 175.10 174.46 3jrm s ARG 130 N -3.19 3.21 0.88 4.82 1.70 -1.26 -4.83 118.95 120.27 3jrm s ARG 130 Ca 0.12 -0.81 -0.11 0.00 -0.47 0.00 0.00 55.73 54.47 3jrm s ARG 130 Cb -0.01 -2.78 0.12 0.00 -0.57 0.00 0.00 34.95 31.71 3jrm s ARG 130 CO 0.02 0.46 1.11 -2.14 -1.08 0.00 0.00 175.30 173.67 3jrm s PRO 131 N -3.58 1.34 0.10 3.89 0.02 -1.17 -4.90 135.00 130.71 3jrm s PRO 131 Ca 0.33 1.29 -0.30 0.00 0.02 0.00 0.00 61.00 62.34 3jrm s PRO 131 Cb -0.09 -1.78 -0.06 0.00 0.02 0.00 0.00 34.50 32.58 3jrm s PRO 131 CO 0.27 -2.32 1.16 0.71 -0.33 0.00 0.00 177.00 176.49 3jrm s TYR 132 N -2.76 3.49 -1.35 6.54 1.51 -1.26 -4.94 117.35 118.57 3jrm s TYR 132 Ca 0.64 1.42 -0.06 0.00 -1.01 0.00 0.00 57.07 58.06 3jrm s TYR 132 Cb -0.20 -3.37 0.10 0.00 -0.11 0.00 0.00 41.96 38.38 3jrm s TYR 132 CO 0.58 -1.02 2.42 0.41 -1.11 0.00 0.00 175.55 176.82 3jrm n GLY 133 N 2.77 5.11 2.97 0.71 0.00 -1.26 -4.50 105.19 110.99 3jrm n GLY 133 Ca 0.07 -2.00 -0.12 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.78 0.02 0.10 1.61 1.01 -1.26 -0.96 120.40 120.14 3jrm s VAL 134 Ca 0.55 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 62.40 3jrm s VAL 134 Cb 0.18 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 36.35 3jrm s VAL 134 CO -0.09 -0.11 -0.10 -0.44 0.00 0.00 0.00 175.10 174.36 3jrm s SER 135 N -0.32 4.38 0.03 3.32 0.01 -0.65 -2.68 113.70 117.79 3jrm s SER 135 Ca -0.04 -0.39 0.06 0.00 1.31 0.00 0.00 55.95 56.89 3jrm s SER 135 Cb -0.03 -0.83 -0.02 0.00 0.21 0.00 0.00 66.02 65.35 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 -2.19 2.15 -0.14 2.44 1.02 0.31 -1.59 118.68 120.68 3jrm s LEU 136 Ca 0.21 -0.45 -0.04 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 0.10 -0.01 -0.63 0.02 0.00 0.00 176.35 175.96 3jrm s ILE 137 N -0.76 4.14 -0.11 -0.59 1.01 -0.06 -0.90 121.20 123.93 3jrm s ILE 137 Ca 0.04 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.42 3jrm s ILE 137 Cb -0.08 -2.80 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 3jrm s ILE 137 CO 0.01 0.52 -0.13 -0.36 0.00 0.00 0.00 174.94 174.98 3jrm s PHE 138 N 0.01 2.79 -0.01 3.97 0.08 0.23 -1.17 117.98 123.88 3jrm s PHE 138 Ca 0.02 -0.55 -0.00 0.00 0.12 0.00 0.00 56.93 56.52 3jrm s PHE 138 Cb -0.13 -1.80 0.01 0.00 -0.57 0.00 0.00 43.02 40.53 3jrm s PHE 138 CO 0.02 -0.13 0.01 0.00 -0.10 0.00 0.00 175.22 175.02 3jrm s ALA 139 N 0.13 0.03 0.02 5.36 0.00 -0.55 -0.63 121.76 126.12 3jrm s ALA 139 Ca -0.07 0.14 -0.15 0.00 0.00 0.00 0.00 51.96 51.88 3jrm s ALA 139 Cb -0.15 -0.11 0.05 0.00 0.00 0.00 0.00 23.12 22.91 3jrm s ALA 139 CO 0.05 -0.05 0.70 0.41 0.00 0.00 0.00 175.76 176.87 3jrm n GLY 140 N 3.58 0.53 3.47 0.00 0.00 -0.90 -1.12 105.19 110.74 3jrm n GLY 140 Ca -0.19 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.13 3.30 0.00 -0.61 -1.09 -0.79 -0.11 121.20 119.77 3jrm s ILE 141 Ca 0.16 -0.61 0.00 0.00 -2.23 0.00 0.00 60.65 57.98 3jrm s ILE 141 Cb -0.01 -2.35 0.00 0.00 -1.58 0.00 0.00 42.46 38.52 3jrm s ILE 141 CO 0.01 0.56 0.00 -0.90 -1.23 0.00 0.00 174.94 173.38 3jrm n ASP 142 N 2.82 0.39 0.19 3.58 5.68 -0.12 -4.84 116.55 124.25 3jrm n ASP 142 Ca -0.18 -0.80 0.14 0.00 -0.50 0.00 0.00 54.79 53.46 3jrm n ASP 142 Cb 0.53 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 41.08 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 0.12 0.11 4.20 -1.56 -1.65 115.11 116.33 3jrm h GLN 143 Ca 0.00 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.44 3jrm h GLN 143 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3jrm h GLN 143 CO 0.00 0.00 -1.22 0.82 -0.67 0.00 0.00 178.83 177.76 3jrm h ILE 144 N 0.00 1.51 0.00 2.54 5.03 -1.97 -3.51 117.51 121.11 3jrm h ILE 144 Ca 0.00 -3.07 0.00 0.00 -0.12 0.00 0.00 64.86 61.67 3jrm h ILE 144 Cb 0.41 2.93 0.00 0.00 -3.03 0.00 0.00 36.82 37.13 3jrm h ILE 144 CO 0.00 0.89 0.00 0.61 -0.68 0.00 0.00 178.15 178.97 3jrm n GLY 145 N 1.51 0.65 3.72 5.37 0.00 -0.62 -5.08 105.19 110.73 3jrm n GLY 145 Ca -0.08 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 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 4.51 0.13 1.61 0.02 -1.26 -0.94 135.00 137.07 3jrm s PRO 146 Ca 0.00 1.65 0.10 0.00 0.02 0.00 0.00 61.00 62.77 3jrm s PRO 146 Cb 0.00 -3.36 -0.04 0.00 0.02 0.00 0.00 34.50 31.12 3jrm s PRO 146 CO 0.00 -0.11 -0.24 1.03 -0.33 0.00 0.00 177.00 177.35 3jrm s ARG 147 N 0.69 1.33 -0.17 5.54 1.81 0.85 -4.99 118.95 124.01 3jrm s ARG 147 Ca 0.54 -1.33 -0.04 0.00 -1.72 0.00 0.00 55.73 53.18 3jrm s ARG 147 Cb -0.27 -1.71 0.08 0.00 -0.45 0.00 0.00 34.95 32.61 3jrm s ARG 147 CO 0.30 0.39 0.29 -1.17 -0.68 0.00 0.00 175.30 174.43 3jrm s LEU 148 N -2.15 -0.34 0.13 2.53 2.96 -1.26 -2.12 118.68 118.43 3jrm s LEU 148 Ca 0.13 0.40 0.08 0.00 -0.22 0.00 0.00 54.13 54.51 3jrm s LEU 148 Cb -0.09 0.76 -0.04 0.00 0.50 0.00 0.00 46.19 47.32 3jrm s LEU 148 CO 0.06 -0.27 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.28 3jrm s PHE 149 N 2.44 1.73 0.43 5.38 0.40 0.20 -1.11 117.98 127.45 3jrm s PHE 149 Ca 0.04 -0.46 0.06 0.00 -0.60 0.00 0.00 56.93 55.97 3jrm s PHE 149 Cb -0.13 -0.90 -0.06 0.00 0.51 0.00 0.00 43.02 42.43 3jrm s PHE 149 CO -0.11 0.25 0.03 0.16 0.70 0.00 0.00 175.22 176.25 3jrm s ASP 150 N -2.34 3.99 -0.29 1.36 1.47 -0.56 -0.60 116.67 119.71 3jrm s ASP 150 Ca 0.11 -1.39 -0.13 0.00 1.18 0.00 0.00 52.55 52.31 3jrm s ASP 150 Cb -0.07 -0.22 0.12 0.00 -0.34 0.00 0.00 42.92 42.40 3jrm s ASP 150 CO 0.05 -0.54 0.74 0.00 0.68 0.00 0.00 175.17 176.10 3jrm s ASP 152 N 2.23 4.45 0.65 0.00 -4.77 -1.05 -0.53 116.67 117.66 3jrm s ASP 152 Ca -0.07 -1.35 0.36 0.00 -3.30 0.00 0.00 52.55 48.19 3jrm s ASP 152 Cb -0.08 0.33 2.01 0.00 -1.09 0.00 0.00 42.92 44.09 3jrm s ASP 152 CO -0.19 -0.95 2.17 -0.65 0.70 0.00 0.00 175.17 176.25 3jrm h PRO 153 N 1.03 0.00 0.00 2.11 0.11 -1.74 -1.32 132.00 132.19 3jrm h PRO 153 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3jrm h PRO 153 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3jrm h PRO 153 CO 0.64 0.00 -0.10 0.00 -0.21 0.00 0.00 178.00 178.34 3jrm n ALA 154 N -2.07 2.49 -0.84 -0.75 0.00 -1.26 -4.64 120.51 113.44 3jrm n ALA 154 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3jrm n ALA 154 Cb 0.22 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 0.49 3.71 0.00 0.00 -0.50 -4.21 105.19 106.11 3jrm n GLY 155 Ca 0.06 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 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 4.81 0.03 2.61 2.01 -1.26 -4.76 115.64 117.08 3jrm s THR 156 Ca 0.00 2.03 0.07 0.00 0.31 0.00 0.00 61.69 64.10 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 0.17 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.30 3jrm s ILE 157 N 0.95 2.87 -0.03 1.82 1.01 -1.26 -2.52 121.20 124.04 3jrm s ILE 157 Ca 0.52 -1.13 -0.09 0.00 0.00 0.00 0.00 60.65 59.95 3jrm s ILE 157 Cb -0.22 -2.20 0.01 0.00 0.01 0.00 0.00 42.46 40.06 3jrm s ILE 157 CO 0.28 0.36 0.21 0.20 0.00 0.00 0.00 174.94 175.98 3jrm s ASN 158 N -1.40 -0.10 -0.09 3.58 -0.87 -1.11 -5.00 114.94 109.95 3jrm s ASN 158 Ca 0.15 0.06 -0.09 0.00 -1.57 0.00 0.00 52.86 51.40 3jrm s ASN 158 Cb -0.11 0.31 -0.04 0.00 -0.02 0.00 0.00 41.25 41.39 3jrm s ASN 158 CO 0.05 -0.30 0.21 -0.70 -2.57 0.00 0.00 177.10 173.79 3jrm s GLU 159 N -0.93 3.57 0.18 -0.60 2.12 -1.26 -1.49 118.70 120.29 3jrm s GLU 159 Ca -0.10 0.02 0.04 0.00 0.36 0.00 0.00 54.97 55.29 3jrm s GLU 159 Cb -0.05 -3.20 -0.05 0.00 0.26 0.00 0.00 34.13 31.09 3jrm s GLU 159 CO 0.02 0.76 -0.06 0.71 -0.54 0.00 0.00 175.26 176.14 3jrm s TYR 160 N -1.05 1.37 -0.03 5.30 1.51 -0.27 -5.00 117.35 119.19 3jrm s TYR 160 Ca 0.17 -0.82 -0.04 0.00 -1.01 0.00 0.00 57.07 55.38 3jrm s TYR 160 Cb -0.13 -0.74 -0.28 0.00 -0.11 0.00 0.00 41.96 40.70 3jrm s TYR 160 CO 0.07 0.04 0.74 0.87 -1.11 0.00 0.00 175.55 176.15 3jrm h LYS 161 N 2.67 0.26 -2.51 -0.62 1.57 -1.94 -3.38 116.57 112.61 3jrm h LYS 161 Ca -0.37 -0.44 -0.09 0.00 -1.87 0.00 0.00 60.65 57.88 3jrm h LYS 161 Cb 1.20 0.16 -0.20 0.00 0.08 0.00 0.00 32.23 33.48 3jrm h LYS 161 CO 0.64 1.11 -0.05 0.00 -0.57 0.00 0.00 179.45 180.58 3jrm s ALA 162 N -2.60 -1.28 0.24 3.86 0.00 -1.26 0.09 121.76 120.80 3jrm s ALA 162 Ca -0.12 0.95 -0.22 0.00 0.00 0.00 0.00 51.96 52.57 3jrm s ALA 162 Cb 0.07 -0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.09 3jrm s ALA 162 CO 0.84 -0.30 0.81 -0.08 0.00 0.00 0.00 175.76 177.03 3jrm s THR 163 N -0.97 0.00 0.18 0.00 -1.32 -0.62 -5.01 115.64 107.90 3jrm s THR 163 Ca -0.10 -0.88 -0.04 0.00 -1.21 0.00 0.00 61.69 59.46 3jrm s THR 163 Cb -0.03 -2.05 -0.03 0.00 -1.51 0.00 0.00 72.50 68.88 3jrm s THR 163 CO 0.06 0.00 0.18 0.00 -2.21 0.00 0.00 174.62 172.64 3jrm s ALA 164 N -3.60 0.70 0.06 11.08 0.00 -1.26 -1.52 121.76 127.21 3jrm s ALA 164 Ca 0.12 -1.39 -0.05 0.00 0.00 0.00 0.00 51.96 50.64 3jrm s ALA 164 Cb -0.04 1.10 -0.02 0.00 0.00 0.00 0.00 23.12 24.16 3jrm s ALA 164 CO 0.06 -0.60 0.07 0.96 0.00 0.00 0.00 175.76 176.25 3jrm s ILE 165 N -4.08 0.17 0.00 0.00 -4.36 -0.47 -4.93 121.20 107.54 3jrm s ILE 165 Ca 0.29 -1.37 0.00 0.00 -0.26 0.00 0.00 60.65 59.31 3jrm s ILE 165 Cb 0.06 -1.22 0.00 0.00 1.25 0.00 0.00 42.46 42.54 3jrm s ILE 165 CO 0.06 -0.76 0.00 0.61 0.24 0.00 0.00 174.94 175.10 3jrm n GLY 166 N 0.33 -1.42 0.10 6.27 0.00 -1.26 -1.41 105.19 107.79 3jrm n GLY 166 Ca -0.16 -2.09 -0.10 0.00 0.00 0.00 0.00 46.02 43.67 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 0.09 -0.05 1.61 4.64 -0.69 -2.52 113.55 116.63 3jrm h SER 167 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3jrm h SER 167 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3jrm h SER 167 CO 0.00 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 3jrm n GLY 168 N -1.15 0.95 0.30 -0.77 0.00 -1.26 -4.49 105.19 98.77 3jrm n GLY 168 Ca -0.03 -0.07 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 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 0.32 -0.17 -0.41 1.61 3.64 -1.68 -1.49 116.57 118.40 3jrm h LYS 169 Ca 0.00 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 3jrm h LYS 169 Cb 0.46 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 3jrm h LYS 169 CO 0.03 -0.11 -0.32 -0.44 -2.27 0.00 0.00 179.45 176.33 3jrm h ASP 170 N -0.18 0.99 0.22 4.20 3.32 -1.86 0.24 116.42 123.34 3jrm h ASP 170 Ca 0.20 -0.44 0.01 0.00 0.02 0.00 0.00 57.03 56.82 3jrm h ASP 170 Cb 0.50 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 3jrm h ASP 170 CO -0.54 1.22 -0.35 0.00 -1.72 0.00 0.00 179.24 177.84 3jrm h ALA 171 N 0.79 -0.68 -0.45 3.45 0.00 -1.86 -1.79 119.26 118.71 3jrm h ALA 171 Ca 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3jrm h ALA 171 Cb 0.91 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 3jrm h ALA 171 CO 0.08 -0.93 0.20 0.28 0.00 0.00 0.00 179.25 178.88 3jrm h VAL 172 N -0.65 1.16 -0.05 0.00 2.07 -0.90 -1.76 116.25 116.13 3jrm h VAL 172 Ca 0.01 -0.49 -0.16 0.00 0.82 0.00 0.00 66.70 66.88 3jrm h VAL 172 Cb 0.63 0.61 0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3jrm h VAL 172 CO -0.15 0.19 -0.60 0.58 0.02 0.00 0.00 177.57 177.62 3jrm h VAL 173 N 0.64 1.38 -0.52 2.57 2.07 -0.43 -2.43 116.25 119.53 3jrm h VAL 173 Ca 0.16 -1.97 -0.10 0.00 0.82 0.00 0.00 66.70 65.60 3jrm h VAL 173 Cb 0.10 2.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 3jrm h VAL 173 CO -0.02 0.59 -0.08 0.77 0.02 0.00 0.00 177.57 178.85 3jrm h SER 174 N 0.06 0.94 -0.64 0.57 4.64 -1.19 1.00 113.55 118.92 3jrm h SER 174 Ca -0.06 -0.29 0.04 0.00 -0.47 0.00 0.00 61.79 61.02 3jrm h SER 174 Cb 1.27 -0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 63.06 3jrm h SER 174 CO 0.12 1.04 0.37 0.15 -0.87 0.00 0.00 176.83 177.64 3jrm h PHE 175 N 0.85 0.68 -0.02 4.77 3.04 -1.36 -1.59 116.94 123.32 3jrm h PHE 175 Ca 0.14 0.02 -0.15 0.00 3.98 0.00 0.00 57.97 61.96 3jrm h PHE 175 Cb 0.61 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.89 3jrm h PHE 175 CO 0.04 0.35 -0.69 -0.07 -2.02 0.00 0.00 178.31 175.92 3jrm h LEU 176 N 0.70 0.11 -1.20 0.59 3.38 -1.05 0.12 115.31 117.97 3jrm h LEU 176 Ca 0.27 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.19 3jrm h LEU 176 Cb 0.11 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3jrm h LEU 176 CO -0.15 0.77 0.55 -0.08 0.09 0.00 0.00 178.44 179.62 3jrm h GLU 177 N 0.06 1.05 0.17 1.13 4.81 -0.30 -0.07 114.58 121.43 3jrm h GLU 177 Ca -0.01 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 3jrm h GLU 177 Cb 1.23 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.37 3jrm h GLU 177 CO 0.10 0.69 -0.08 0.00 -0.73 0.00 0.00 179.01 178.99 3jrm h ARG 178 N 1.08 -0.22 0.00 1.92 3.08 -0.85 -3.41 114.38 115.98 3jrm h ARG 178 Ca 0.32 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.38 3jrm h ARG 178 Cb -0.04 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3jrm h ARG 178 CO -0.08 0.09 -0.90 0.39 -1.07 0.00 0.00 179.97 178.40 3jrm n GLU 179 N -4.91 0.26 -2.42 0.04 -0.58 0.37 -4.98 120.64 108.41 3jrm n GLU 179 Ca -0.06 0.02 -0.41 0.00 -0.42 0.00 0.00 57.16 56.29 3jrm n GLU 179 Cb 0.21 -1.60 -0.04 0.00 -0.57 0.00 0.00 31.44 29.44 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 -3.17 3.48 0.04 -0.32 5.04 -0.04 -5.03 117.35 117.34 3jrm s TYR 180 Ca 0.05 1.47 0.06 0.00 -2.44 0.00 0.00 57.07 56.21 3jrm s TYR 180 Cb 0.14 -3.38 -0.02 0.00 0.35 0.00 0.00 41.96 39.05 3jrm s TYR 180 CO 0.78 -1.03 -0.18 0.15 -1.34 0.00 0.00 175.55 173.93 3jrm s LYS 181 N -0.16 1.19 0.53 4.97 1.02 -1.26 -5.00 119.74 121.03 3jrm s LYS 181 Ca 0.52 -0.86 -0.19 0.00 0.02 0.00 0.00 55.97 55.47 3jrm s LYS 181 Cb -0.31 -1.26 -0.07 0.00 -0.52 0.00 0.00 37.83 35.67 3jrm s LYS 181 CO 0.35 0.32 1.07 -1.21 -0.92 0.00 0.00 175.35 174.96 3jrm s GLU 182 N -1.15 3.56 -1.17 1.68 2.02 -1.26 -4.18 118.70 118.20 3jrm s GLU 182 Ca 0.05 1.40 0.00 0.00 0.02 0.00 0.00 54.97 56.44 3jrm s GLU 182 Cb -0.08 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 32.09 3jrm s GLU 182 CO 0.02 -0.64 0.00 0.09 0.02 0.00 0.00 175.26 174.75 3jrm n ASN 183 N -1.30 -4.17 -4.75 -0.19 3.02 -1.26 -4.93 115.26 101.68 3jrm n ASN 183 Ca 0.10 0.12 -0.37 0.00 -0.03 0.00 0.00 54.58 54.39 3jrm n ASN 183 Cb 0.52 -3.13 0.03 0.00 -0.61 0.00 0.00 39.78 36.59 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 -3.30 3.77 0.97 3.41 1.43 -1.26 -4.12 118.68 119.59 3jrm s LEU 184 Ca 0.00 2.53 -0.11 0.00 -1.03 0.00 0.00 54.13 55.53 3jrm s LEU 184 Cb 0.00 -4.43 0.18 0.00 0.03 0.00 0.00 46.19 41.96 3jrm s LEU 184 CO 0.00 -1.53 1.11 -2.84 0.23 0.00 0.00 176.35 173.32 3jrm s PRO 185 N -3.09 0.61 0.12 1.29 0.02 -1.26 -1.12 135.00 131.56 3jrm s PRO 185 Ca 0.74 1.34 -0.23 0.00 0.02 0.00 0.00 61.00 62.86 3jrm s PRO 185 Cb -0.34 -1.70 -0.06 0.00 0.02 0.00 0.00 34.50 32.42 3jrm s PRO 185 CO 0.39 -2.84 1.68 1.49 -0.33 0.00 0.00 177.00 177.39 3jrm h GLU 186 N -2.01 -0.21 -0.87 5.54 4.81 -1.95 -1.65 114.58 118.25 3jrm h GLU 186 Ca -0.48 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.81 3jrm h GLU 186 Cb 1.28 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.66 3jrm h GLU 186 CO 0.45 -0.14 0.57 0.87 -0.73 0.00 0.00 179.01 180.03 3jrm h LYS 187 N -0.21 1.03 -0.40 1.92 1.57 -1.99 0.04 116.57 118.51 3jrm h LYS 187 Ca 0.06 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 3jrm h LYS 187 Cb 0.29 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3jrm h LYS 187 CO -0.16 0.68 -0.36 0.93 -0.57 0.00 0.00 179.45 179.98 3jrm h GLU 188 N 1.06 0.95 -0.42 3.15 5.08 -1.87 -1.95 114.58 120.58 3jrm h GLU 188 Ca 0.35 -0.48 0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3jrm h GLU 188 Cb 0.07 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3jrm h GLU 188 CO -0.11 1.14 0.23 0.00 -1.00 0.00 0.00 179.01 179.27 3jrm h ALA 189 N 0.80 0.53 -0.63 3.43 0.00 -0.37 -0.60 119.26 122.42 3jrm h ALA 189 Ca 0.07 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3jrm h ALA 189 Cb 0.95 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3jrm h ALA 189 CO 0.09 -0.12 0.39 0.28 0.00 0.00 0.00 179.25 179.89 3jrm h VAL 190 N 0.46 1.18 -0.19 0.00 2.07 -0.96 -0.98 116.25 117.81 3jrm h VAL 190 Ca 0.18 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3jrm h VAL 190 Cb 0.06 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 3jrm h VAL 190 CO -0.11 0.18 0.08 0.74 0.02 0.00 0.00 177.57 178.48 3jrm h THR 191 N 0.85 1.15 -0.86 2.57 2.02 -0.97 -0.33 112.91 117.34 3jrm h THR 191 Ca 0.23 -0.46 0.10 0.00 0.77 0.00 0.00 66.41 67.05 3jrm h THR 191 Cb -0.05 1.11 -0.08 0.00 -1.74 0.00 0.00 68.15 67.39 3jrm h THR 191 CO -0.04 0.15 0.50 0.25 0.37 0.00 0.00 175.52 176.74 3jrm h LEU 192 N 0.16 0.71 -0.28 2.58 5.85 -1.01 -0.26 115.31 123.06 3jrm h LEU 192 Ca 0.06 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3jrm h LEU 192 Cb 0.16 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3jrm h LEU 192 CO -0.01 0.40 0.06 1.23 -0.34 0.00 0.00 178.44 179.78 3jrm h GLY 193 N 0.82 0.50 0.99 3.75 0.00 -0.55 -1.03 103.07 107.55 3jrm h GLY 193 Ca 0.42 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 3jrm h GLY 193 CO -0.26 0.30 0.33 -2.22 0.00 0.00 0.00 176.54 174.69 3jrm h ILE 194 N 0.29 1.17 -0.23 2.60 1.08 -0.64 -0.92 117.51 120.86 3jrm h ILE 194 Ca 0.09 -0.39 0.04 0.00 -0.39 0.00 0.00 64.86 64.21 3jrm h ILE 194 Cb 0.30 0.43 -0.04 0.00 -3.07 0.00 0.00 36.82 34.45 3jrm h ILE 194 CO 0.00 0.18 0.00 0.11 -0.69 0.00 0.00 178.15 177.75 3jrm h LYS 195 N 0.74 0.07 -0.72 2.37 1.57 -0.92 -0.53 116.57 119.15 3jrm h LYS 195 Ca 0.20 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 3jrm h LYS 195 Cb -0.00 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 3jrm h LYS 195 CO -0.04 0.05 0.47 0.00 -0.57 0.00 0.00 179.45 179.36 3jrm h ALA 196 N 1.20 0.91 -0.03 3.86 0.00 -0.85 -0.47 119.26 123.88 3jrm h ALA 196 Ca 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3jrm h ALA 196 Cb 0.14 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3jrm h ALA 196 CO -0.18 0.32 0.01 1.25 0.00 0.00 0.00 179.25 180.65 3jrm h LEU 197 N 0.96 0.05 -0.83 0.00 5.85 -0.89 -2.73 115.31 117.72 3jrm h LEU 197 Ca 0.27 -0.18 0.14 0.00 0.84 0.00 0.00 57.88 58.94 3jrm h LEU 197 Cb -0.10 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 40.83 3jrm h LEU 197 CO -0.06 0.22 0.41 0.11 -0.34 0.00 0.00 178.44 178.78 3jrm h LYS 198 N -0.12 0.58 0.00 1.25 1.57 -0.80 -1.35 116.57 117.70 3jrm h LYS 198 Ca 0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3jrm h LYS 198 Cb 0.19 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3jrm h LYS 198 CO -0.00 0.39 0.00 -1.13 -0.57 0.00 0.00 179.45 178.14 3jrm n SER 199 N -4.88 0.00 -0.00 0.86 3.41 -0.21 -1.43 113.62 111.36 3jrm n SER 199 Ca 0.16 0.43 0.09 0.00 -0.26 0.00 0.00 58.87 59.29 3jrm n SER 199 Cb 0.42 -0.44 -0.12 0.00 -0.26 0.00 0.00 64.21 63.81 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 -1.44 0.86 -4.81 4.04 3.41 -0.51 -4.88 113.62 110.30 3jrm n SER 200 Ca 0.01 -0.85 -0.33 0.00 -0.26 0.00 0.00 58.87 57.44 3jrm n SER 200 Cb 0.02 1.12 -0.03 0.00 -0.26 0.00 0.00 64.21 65.06 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 -3.12 3.74 0.04 1.04 1.43 -0.51 -4.90 118.68 116.40 3jrm s LEU 201 Ca 0.06 1.79 -0.30 0.00 -1.03 0.00 0.00 54.13 54.64 3jrm s LEU 201 Cb 0.15 -4.54 -0.09 0.00 0.03 0.00 0.00 46.19 41.74 3jrm s LEU 201 CO 0.82 -0.75 1.96 -1.61 0.23 0.00 0.00 176.35 176.99 3jrm s GLU 202 N -3.58 4.14 0.78 1.70 0.41 -1.26 -4.98 118.70 115.92 3jrm s GLU 202 Ca 0.64 2.61 -0.14 0.00 -0.41 0.00 0.00 54.97 57.67 3jrm s GLU 202 Cb -0.14 -4.12 0.07 0.00 -1.78 0.00 0.00 34.13 28.16 3jrm s GLU 202 CO 0.25 -0.95 1.20 -1.83 -0.49 0.00 0.00 175.26 173.44 3jrm s GLU 203 N 4.34 1.81 -1.06 1.61 4.04 -1.26 -2.09 118.70 126.08 3jrm s GLU 203 Ca 0.88 1.75 -0.06 0.00 0.04 0.00 0.00 54.97 57.58 3jrm s GLU 203 Cb -0.43 -1.80 0.01 0.00 0.02 0.00 0.00 34.13 31.93 3jrm s GLU 203 CO 0.41 -2.08 0.92 0.41 -1.84 0.00 0.00 175.26 173.08 3jrm n GLY 204 N 0.42 -0.24 3.15 -3.83 0.00 -1.26 -5.05 105.19 98.39 3jrm n GLY 204 Ca 0.13 0.06 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 -5.85 0.26 0.01 1.61 2.12 -0.89 -5.15 118.70 110.80 3jrm s GLU 205 Ca 0.37 0.86 -0.16 0.00 0.36 0.00 0.00 54.97 56.40 3jrm s GLU 205 Cb -0.16 0.12 -0.06 0.00 0.26 0.00 0.00 34.13 34.29 3jrm s GLU 205 CO 0.59 -0.25 0.45 -2.00 -0.54 0.00 0.00 175.26 173.51 3jrm s GLU 206 N 2.30 4.03 -0.26 4.30 2.12 -1.26 -4.84 118.70 125.09 3jrm s GLU 206 Ca -0.02 0.49 -0.29 0.00 0.36 0.00 0.00 54.97 55.51 3jrm s GLU 206 Cb -0.11 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 31.03 3jrm s GLU 206 CO -0.11 0.62 1.19 -1.17 -0.54 0.00 0.00 175.26 175.25 3jrm s LEU 207 N -0.91 4.01 0.84 2.70 2.96 -1.26 -5.05 118.68 121.98 3jrm s LEU 207 Ca 0.25 1.31 -0.12 0.00 -0.22 0.00 0.00 54.13 55.35 3jrm s LEU 207 Cb -0.17 -3.54 0.13 0.00 0.50 0.00 0.00 46.19 43.10 3jrm s LEU 207 CO 0.14 -0.88 1.20 -0.54 -1.32 0.00 0.00 176.35 174.95 3jrm s LYS 208 N 3.70 1.48 -0.21 1.98 1.02 -1.26 -4.95 119.74 121.50 3jrm s LYS 208 Ca 0.51 -0.23 -0.33 0.00 0.02 0.00 0.00 55.97 55.94 3jrm s LYS 208 Cb -0.16 -1.97 -0.10 0.00 -0.52 0.00 0.00 37.83 35.08 3jrm s LYS 208 CO 0.16 -1.84 2.08 0.00 -0.92 0.00 0.00 175.35 174.83 3jrm n ALA 209 N -3.39 1.20 -1.94 5.17 0.00 -1.26 -4.92 120.51 115.37 3jrm n ALA 209 Ca 0.11 0.02 -0.26 0.00 0.00 0.00 0.00 53.44 53.31 3jrm n ALA 209 Cb 0.60 -2.64 0.09 0.00 0.00 0.00 0.00 19.45 17.51 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 5.44 1.91 0.09 0.00 0.04 -1.26 -4.70 135.00 136.53 3jrm s PRO 210 Ca 1.01 -0.36 -0.19 0.00 0.04 0.00 0.00 61.00 61.50 3jrm s PRO 210 Cb -0.65 -2.13 -0.07 0.00 0.04 0.00 0.00 34.50 31.69 3jrm s PRO 210 CO 0.46 -1.44 0.58 -1.21 0.04 0.00 0.00 177.00 175.43 3jrm s GLU 211 N -5.34 4.18 -0.02 4.56 2.02 -0.38 -4.92 118.70 118.81 3jrm s GLU 211 Ca 0.63 0.72 0.01 0.00 0.02 0.00 0.00 54.97 56.35 3jrm s GLU 211 Cb -0.09 -3.18 0.02 0.00 0.10 0.00 0.00 34.13 30.98 3jrm s GLU 211 CO 0.46 0.60 -0.02 0.42 0.02 0.00 0.00 175.26 176.74 3jrm s ILE 212 N -1.18 0.25 0.01 -1.63 1.01 -1.26 -1.20 121.20 117.21 3jrm s ILE 212 Ca 0.31 -0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.95 3jrm s ILE 212 Cb -0.19 -0.29 -0.01 0.00 0.01 0.00 0.00 42.46 41.98 3jrm s ILE 212 CO 0.19 0.13 -0.05 0.00 0.00 0.00 0.00 174.94 175.21 3jrm s ALA 213 N 0.60 0.38 0.05 9.38 0.00 -0.60 -0.69 121.76 130.90 3jrm s ALA 213 Ca -0.06 -0.40 -0.04 0.00 0.00 0.00 0.00 51.96 51.46 3jrm s ALA 213 Cb -0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 3jrm s ALA 213 CO -0.01 0.03 0.06 -1.54 0.00 0.00 0.00 175.76 174.30 3jrm s SER 214 N -0.69 0.30 -0.11 0.00 1.04 -0.67 -0.85 113.70 112.73 3jrm s SER 214 Ca -0.04 -0.76 -0.09 0.00 0.48 0.00 0.00 55.95 55.54 3jrm s SER 214 Cb -0.05 0.24 0.03 0.00 0.10 0.00 0.00 66.02 66.34 3jrm s SER 214 CO -0.00 -0.59 0.28 -0.51 0.98 0.00 0.00 173.24 173.40 3jrm s ILE 215 N -3.42 -0.00 0.12 -1.02 2.07 -0.86 -1.21 121.20 116.88 3jrm s ILE 215 Ca 0.02 0.02 0.09 0.00 -1.41 0.00 0.00 60.65 59.37 3jrm s ILE 215 Cb 0.04 -0.40 -0.04 0.00 0.13 0.00 0.00 42.46 42.19 3jrm s ILE 215 CO -0.08 0.01 -0.23 0.42 -1.91 0.00 0.00 174.94 173.15 3jrm s THR 216 N 0.29 1.95 0.24 4.00 -4.23 -1.26 -1.82 115.64 114.81 3jrm s THR 216 Ca -0.01 -1.69 -0.30 0.00 -1.18 0.00 0.00 61.69 58.51 3jrm s THR 216 Cb -0.03 -1.77 -0.15 0.00 1.34 0.00 0.00 72.50 71.89 3jrm s THR 216 CO -0.01 -0.04 1.03 0.52 -0.54 0.00 0.00 174.62 175.57 3jrm n VAL 217 N 0.88 1.57 -1.10 2.29 0.31 0.80 -1.61 118.33 121.47 3jrm n VAL 217 Ca -0.18 -0.39 -0.03 0.00 -0.01 0.00 0.00 64.34 63.73 3jrm n VAL 217 Cb 0.54 -0.85 -0.01 0.00 -0.91 0.00 0.00 33.84 32.61 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 1.60 0.63 3.27 2.92 0.00 -1.26 -5.03 105.19 107.32 3jrm n GLY 218 Ca 0.12 -0.48 -0.15 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 -2.56 0.87 0.47 1.61 0.01 -0.64 -5.16 114.94 109.53 3jrm s ASN 219 Ca 0.00 -1.36 -0.01 0.00 -0.71 0.00 0.00 52.86 50.78 3jrm s ASN 219 Cb 0.00 0.23 -0.01 0.00 0.41 0.00 0.00 41.25 41.88 3jrm s ASN 219 CO 0.00 -0.75 0.71 -0.54 -1.51 0.00 0.00 177.10 175.01 3jrm s LYS 220 N -4.06 3.10 0.60 -0.60 1.02 -1.26 -4.66 119.74 113.87 3jrm s LYS 220 Ca 0.37 -0.35 -0.20 0.00 0.02 0.00 0.00 55.97 55.81 3jrm s LYS 220 Cb 0.07 -2.50 -0.03 0.00 -0.52 0.00 0.00 37.83 34.85 3jrm s LYS 220 CO 0.12 -0.31 1.31 0.71 -0.92 0.00 0.00 175.35 176.26 3jrm s TYR 221 N -2.62 2.21 -0.02 3.18 1.51 -0.66 -4.65 117.35 116.29 3jrm s TYR 221 Ca 0.49 1.44 0.04 0.00 -1.01 0.00 0.00 57.07 58.03 3jrm s TYR 221 Cb -0.10 -3.71 -0.01 0.00 -0.11 0.00 0.00 41.96 38.03 3jrm s TYR 221 CO 0.39 -2.82 -0.14 -0.98 -1.11 0.00 0.00 175.55 170.90 3jrm s ARG 222 N -3.16 1.31 -0.23 -0.62 1.70 -0.35 -5.00 118.95 112.60 3jrm s ARG 222 Ca 0.77 -0.50 -0.14 0.00 -0.47 0.00 0.00 55.73 55.39 3jrm s ARG 222 Cb -0.38 -1.21 -0.04 0.00 -0.57 0.00 0.00 34.95 32.75 3jrm s ARG 222 CO 0.42 0.25 0.31 0.42 -1.08 0.00 0.00 175.30 175.62 3jrm s ILE 223 N -0.11 5.25 0.26 4.99 -1.09 -1.26 -1.66 121.20 127.58 3jrm s ILE 223 Ca 0.01 0.48 -0.30 0.00 -2.23 0.00 0.00 60.65 58.61 3jrm s ILE 223 Cb -0.08 -3.64 -0.10 0.00 -1.58 0.00 0.00 42.46 37.06 3jrm s ILE 223 CO 0.00 0.26 1.36 -0.31 -1.23 0.00 0.00 174.94 175.03 3jrm s TYR 224 N 1.43 3.09 0.51 3.97 1.51 0.14 -5.01 117.35 123.00 3jrm s TYR 224 Ca 0.14 1.19 -0.08 0.00 -1.01 0.00 0.00 57.07 57.31 3jrm s TYR 224 Cb -0.15 -3.72 -0.04 0.00 -0.11 0.00 0.00 41.96 37.94 3jrm s TYR 224 CO 0.08 -2.21 0.85 0.16 -1.11 0.00 0.00 175.55 173.32 3jrm s ASP 225 N 0.10 6.30 0.28 2.29 -4.77 -1.26 -4.61 116.67 115.00 3jrm s ASP 225 Ca 0.56 1.11 -0.04 0.00 -3.30 0.00 0.00 52.55 50.87 3jrm s ASP 225 Cb -0.40 -2.33 0.56 0.00 -1.09 0.00 0.00 42.92 39.67 3jrm s ASP 225 CO 0.45 -0.63 1.59 1.56 0.70 0.00 0.00 175.17 178.84 3jrm h GLN 226 N 0.26 0.04 -0.22 2.11 7.50 -1.95 -1.04 115.11 121.80 3jrm h GLN 226 Ca -0.46 -0.00 -0.11 0.00 0.50 0.00 0.00 58.65 58.57 3jrm h GLN 226 Cb 1.20 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.71 3jrm h GLN 226 CO 0.62 0.02 -0.34 0.93 -1.50 0.00 0.00 178.83 178.56 3jrm h GLU 227 N 0.04 0.46 -0.28 1.46 5.08 -2.00 -1.32 114.58 118.01 3jrm h GLU 227 Ca 0.50 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.60 3jrm h GLU 227 Cb 0.92 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 3jrm h GLU 227 CO -0.86 0.75 -0.07 1.49 -1.00 0.00 0.00 179.01 179.32 3jrm h GLU 228 N 0.39 0.44 -0.27 2.33 4.81 -1.59 -3.11 114.58 117.58 3jrm h GLU 228 Ca 0.04 -0.11 -0.16 0.00 -0.13 0.00 0.00 59.36 59.00 3jrm h GLU 228 Cb 0.79 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.11 3jrm h GLU 228 CO 0.06 0.53 -0.47 0.28 -0.73 0.00 0.00 179.01 178.68 3jrm h VAL 229 N 0.42 1.29 -0.80 0.32 2.07 -0.81 -3.28 116.25 115.45 3jrm h VAL 229 Ca 0.09 -1.66 0.02 0.00 0.82 0.00 0.00 66.70 65.96 3jrm h VAL 229 Cb 0.39 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 3jrm h VAL 229 CO 0.02 0.54 0.53 0.11 0.02 0.00 0.00 177.57 178.79 3jrm h LYS 230 N 0.56 1.01 0.00 1.57 1.57 -1.20 -0.85 116.57 119.23 3jrm h LYS 230 Ca 0.02 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3jrm h LYS 230 Cb 1.08 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.16 3jrm h LYS 230 CO 0.11 0.67 0.21 1.63 -0.57 0.00 0.00 179.45 181.49 3jrm n LYS 231 N -4.43 0.00 0.00 3.15 5.02 -1.22 0.11 118.16 120.79 3jrm n LYS 231 Ca 0.10 0.26 0.05 0.00 -2.02 0.00 0.00 58.31 56.70 3jrm n LYS 231 Cb 0.07 -1.71 -0.02 0.00 -0.02 0.00 0.00 35.03 33.36 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 -1.25 0.00 1.78 2.13 3.01 -0.32 -5.16 117.46 117.65 3jrm n PHE 232 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.61 3jrm n PHE 232 Cb 0.21 0.00 0.76 0.00 -0.01 0.00 0.00 39.48 40.44 3jrm n PHE 232 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05