#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 2.16 0.00 0.00 4.01 -1.26 -4.48 117.16 117.59 3jrm n TYR 8 Ca 0.00 -1.50 0.00 0.00 -0.16 0.00 0.00 57.90 56.24 3jrm n TYR 8 Cb 0.00 -0.76 0.00 0.00 -0.31 0.00 0.00 39.34 38.27 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 -0.63 0.23 -0.04 7.72 2.03 -1.26 -4.46 116.55 120.13 3jrm n ASP 9 Ca 0.42 -0.14 0.01 0.00 0.52 0.00 0.00 54.79 55.60 3jrm n ASP 9 Cb 1.29 0.33 -0.00 0.00 -0.72 0.00 0.00 41.12 42.02 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 -0.35 3.58 -3.72 -0.67 5.12 -1.26 -4.39 116.66 114.96 3jrm n ARG 10 Ca 0.00 -0.25 -0.17 0.00 -1.93 0.00 0.00 57.85 55.50 3jrm n ARG 10 Cb 0.00 -0.78 -0.17 0.00 -1.16 0.00 0.00 32.46 30.36 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 -0.81 0.08 0.64 7.54 0.00 -1.26 -5.03 121.76 122.92 3jrm s ALA 11 Ca 0.02 0.32 0.29 0.00 0.00 0.00 0.00 51.96 52.59 3jrm s ALA 11 Cb 0.02 -0.44 1.58 0.00 0.00 0.00 0.00 23.12 24.28 3jrm s ALA 11 CO 0.07 -0.28 1.93 0.97 0.00 0.00 0.00 175.76 178.44 3jrm h ILE 12 N 6.33 0.15 -0.48 0.00 6.09 -1.93 -2.05 117.51 125.62 3jrm h ILE 12 Ca -0.31 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.18 3jrm h ILE 12 Cb 1.12 0.67 0.00 0.00 0.47 0.00 0.00 36.82 39.08 3jrm h ILE 12 CO 0.33 0.00 0.00 0.35 -3.07 0.00 0.00 178.15 175.76 3jrm n THR 13 N -3.21 0.63 -3.91 2.19 -2.24 -1.26 -4.70 114.28 101.78 3jrm n THR 13 Ca 0.01 -0.74 -0.36 0.00 -2.27 0.00 0.00 64.05 60.70 3jrm n THR 13 Cb 0.46 0.62 -0.12 0.00 -2.10 0.00 0.00 70.33 69.19 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 -1.37 4.27 0.27 2.28 1.01 -0.77 -5.09 120.40 121.00 3jrm s VAL 14 Ca 0.40 -0.20 -0.24 0.00 0.00 0.00 0.00 61.98 61.94 3jrm s VAL 14 Cb 0.22 -2.96 -0.09 0.00 0.00 0.00 0.00 36.38 33.54 3jrm s VAL 14 CO 0.29 0.39 0.86 -0.36 0.00 0.00 0.00 175.10 176.28 3jrm s PHE 15 N 1.20 3.72 0.81 5.22 0.08 -1.26 -4.68 117.98 123.06 3jrm s PHE 15 Ca 0.04 1.65 -0.11 0.00 0.12 0.00 0.00 56.93 58.63 3jrm s PHE 15 Cb -0.14 -2.81 0.08 0.00 -0.57 0.00 0.00 43.02 39.57 3jrm s PHE 15 CO 0.03 0.30 1.09 -1.54 -0.10 0.00 0.00 175.22 175.00 3jrm s SER 16 N -1.55 4.33 0.64 1.36 1.04 -0.42 -4.89 113.70 114.22 3jrm s SER 16 Ca 0.46 1.44 0.37 0.00 0.48 0.00 0.00 55.95 58.69 3jrm s SER 16 Cb -0.19 -2.17 2.07 0.00 0.10 0.00 0.00 66.02 65.83 3jrm s SER 16 CO 0.24 -2.09 2.25 -0.65 0.98 0.00 0.00 173.24 173.97 3jrm h PRO 17 N -1.17 0.00 -0.07 4.02 0.11 -1.97 -0.40 132.00 132.52 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 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3jrm h PRO 17 CO 0.57 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.11 3jrm n ASP 18 N -3.39 1.17 -0.44 -2.05 8.00 -1.26 -4.93 116.55 113.65 3jrm n ASP 18 Ca -0.02 -1.52 0.00 0.00 0.71 0.00 0.00 54.79 53.96 3jrm n ASP 18 Cb 0.15 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 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 1.08 0.94 3.65 0.44 0.00 -0.16 -5.07 105.19 106.07 3jrm n GLY 19 Ca 0.18 -0.64 -0.26 0.00 0.00 0.00 0.00 46.02 45.29 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 -4.61 2.34 -0.57 1.61 0.52 -1.25 -4.87 118.95 112.13 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 -2.32 0.14 0.00 0.52 0.00 0.00 34.95 33.29 3jrm s ARG 20 CO 0.00 0.45 0.32 -0.51 0.02 0.00 0.00 175.30 175.58 3jrm s LEU 21 N -2.96 4.44 0.22 2.53 1.43 -1.26 -1.30 118.68 121.78 3jrm s LEU 21 Ca 0.27 -3.24 -0.05 0.00 -1.03 0.00 0.00 54.13 50.08 3jrm s LEU 21 Cb -0.09 -1.64 0.21 0.00 0.03 0.00 0.00 46.19 44.70 3jrm s LEU 21 CO 0.18 -0.19 1.68 -0.26 0.23 0.00 0.00 176.35 177.99 3jrm h PHE 22 N 6.20 0.96 -0.80 0.29 0.04 -1.83 -1.20 116.94 120.59 3jrm h PHE 22 Ca -0.02 -0.17 0.08 0.00 2.80 0.00 0.00 57.97 60.67 3jrm h PHE 22 Cb 0.85 -0.25 -0.05 0.00 2.20 0.00 0.00 35.95 38.70 3jrm h PHE 22 CO 0.56 0.90 0.52 0.37 -0.60 0.00 0.00 178.31 180.07 3jrm h GLN 23 N 0.80 0.76 -0.55 1.51 5.75 -1.86 0.28 115.11 121.79 3jrm h GLN 23 Ca 0.14 -0.05 -0.09 0.00 -0.15 0.00 0.00 58.65 58.51 3jrm h GLN 23 Cb 0.57 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.93 3jrm h GLN 23 CO 0.03 0.50 0.00 0.28 -2.65 0.00 0.00 178.83 177.00 3jrm h VAL 24 N 0.78 1.26 0.00 2.39 2.07 -1.61 -1.35 116.25 119.80 3jrm h VAL 24 Ca 0.36 -1.10 -0.06 0.00 0.82 0.00 0.00 66.70 66.71 3jrm h VAL 24 Cb 0.37 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3jrm h VAL 24 CO -0.13 0.39 -0.29 -0.33 0.02 0.00 0.00 177.57 177.23 3jrm h GLU 25 N 0.84 0.00 -0.05 1.57 5.08 -0.59 -1.86 114.58 119.57 3jrm h GLU 25 Ca 0.16 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.29 3jrm h GLU 25 Cb 0.53 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.79 3jrm h GLU 25 CO 0.03 0.29 -0.88 1.88 -1.00 0.00 0.00 179.01 179.33 3jrm h TYR 26 N 0.00 0.81 -0.92 4.33 0.99 -0.18 -2.82 116.97 119.19 3jrm h TYR 26 Ca -0.00 -0.41 0.10 0.00 2.00 0.00 0.00 58.73 60.43 3jrm h TYR 26 Cb 0.54 -0.11 -0.07 0.00 1.00 0.00 0.00 36.73 38.09 3jrm h TYR 26 CO 0.00 1.22 0.59 0.00 -0.00 0.00 0.00 178.16 179.97 3jrm h ALA 27 N 0.66 1.63 0.00 3.88 0.00 -0.73 -0.51 119.26 124.18 3jrm h ALA 27 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3jrm h ALA 27 Cb 1.51 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3jrm h ALA 27 CO 0.16 0.18 -0.12 0.00 0.00 0.00 0.00 179.25 179.47 3jrm h ARG 28 N 0.90 0.00 0.00 0.00 3.08 -1.12 -2.04 114.38 115.20 3jrm h ARG 28 Ca 0.43 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.37 3jrm h ARG 28 Cb 0.44 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 3jrm h ARG 28 CO -0.19 0.12 -0.52 0.93 -1.07 0.00 0.00 179.97 179.23 3jrm h GLU 29 N 0.00 0.00 -0.85 0.04 4.39 -0.90 -2.83 114.58 114.43 3jrm h GLU 29 Ca -0.00 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.78 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 0.52 0.55 0.00 -1.16 0.00 0.00 179.01 178.94 3jrm h ALA 30 N 1.48 1.63 -0.62 3.43 0.00 -1.21 -2.67 119.26 121.30 3jrm h ALA 30 Ca -0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3jrm h ALA 30 Cb 0.94 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3jrm h ALA 30 CO 0.07 0.21 0.17 0.28 0.00 0.00 0.00 179.25 179.98 3jrm h VAL 31 N 0.88 1.24 0.00 0.00 2.07 -1.52 -2.58 116.25 116.33 3jrm h VAL 31 Ca 0.38 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 3jrm h VAL 31 Cb 0.33 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3jrm h VAL 31 CO -0.15 0.32 -0.03 0.11 0.02 0.00 0.00 177.57 177.84 3jrm h LYS 32 N 0.91 0.00 0.00 1.57 1.57 -1.51 -1.24 116.57 117.88 3jrm h LYS 32 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3jrm h LYS 32 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3jrm h LYS 32 CO -0.00 0.03 0.00 1.63 -0.57 0.00 0.00 179.45 180.53 3jrm n LYS 33 N -3.44 0.31 -2.57 3.15 5.02 -0.97 -2.75 118.16 116.90 3jrm n LYS 33 Ca -0.02 0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 3jrm n LYS 33 Cb 0.14 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.63 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 -2.67 1.78 0.53 0.72 0.00 -0.47 -4.88 107.32 102.34 3jrm s GLY 34 Ca 0.23 -0.23 -0.18 0.00 0.00 0.00 0.00 44.72 44.55 3jrm s GLY 34 CO 0.44 -0.02 1.03 -1.35 0.00 0.00 0.00 173.10 173.21 3jrm s SER 35 N -3.59 6.18 0.38 1.64 1.04 -1.26 -0.33 113.70 117.76 3jrm s SER 35 Ca 0.52 1.82 -0.26 0.00 0.48 0.00 0.00 55.95 58.50 3jrm s SER 35 Cb -0.10 -2.54 -0.09 0.00 0.10 0.00 0.00 66.02 63.39 3jrm s SER 35 CO 0.39 -0.89 1.19 -0.89 0.98 0.00 0.00 173.24 174.02 3jrm s THR 36 N -2.28 3.09 0.09 2.02 2.01 -1.26 -4.57 115.64 114.74 3jrm s THR 36 Ca 0.64 0.95 -0.00 0.00 0.31 0.00 0.00 61.69 63.59 3jrm s THR 36 Cb -0.15 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 3jrm s THR 36 CO 0.28 0.12 -0.02 0.00 -0.69 0.00 0.00 174.62 174.31 3jrm s ALA 37 N -1.35 0.76 0.15 7.40 0.00 -0.58 -1.22 121.76 126.93 3jrm s ALA 37 Ca 0.55 -1.32 -0.14 0.00 0.00 0.00 0.00 51.96 51.04 3jrm s ALA 37 Cb -0.32 0.37 0.02 0.00 0.00 0.00 0.00 23.12 23.19 3jrm s ALA 37 CO 0.41 -0.35 0.39 -0.48 0.00 0.00 0.00 175.76 175.73 3jrm s LEU 38 N -3.00 0.52 0.01 0.00 0.05 0.55 -1.55 118.68 115.26 3jrm s LEU 38 Ca 0.13 -0.50 -0.03 0.00 0.05 0.00 0.00 54.13 53.77 3jrm s LEU 38 Cb 0.07 1.72 -0.01 0.00 -2.05 0.00 0.00 46.19 45.92 3jrm s LEU 38 CO -0.05 -0.90 0.05 -0.83 -0.55 0.00 0.00 176.35 174.06 3jrm s GLY 39 N -2.86 0.15 -0.05 -3.48 0.00 -0.68 -0.75 107.32 99.65 3jrm s GLY 39 Ca 0.07 -0.39 -0.10 0.00 0.00 0.00 0.00 44.72 44.30 3jrm s GLY 39 CO -0.07 -0.50 0.24 -3.16 0.00 0.00 0.00 173.10 169.61 3jrm s MET 40 N -1.48 0.44 0.33 2.90 0.23 -0.89 -1.55 119.30 119.27 3jrm s MET 40 Ca -0.15 0.03 -0.27 0.00 -1.03 0.00 0.00 55.69 54.27 3jrm s MET 40 Cb -0.09 0.20 -0.09 0.00 -1.53 0.00 0.00 34.83 33.32 3jrm s MET 40 CO -0.00 -0.09 1.04 0.15 -2.03 0.00 0.00 175.02 174.09 3jrm s LYS 41 N -0.61 4.47 0.00 3.16 1.02 0.26 -1.39 119.74 126.65 3jrm s LYS 41 Ca -0.07 1.59 0.00 0.00 0.02 0.00 0.00 55.97 57.51 3jrm s LYS 41 Cb -0.04 -2.89 -0.00 0.00 -0.52 0.00 0.00 37.83 34.38 3jrm s LYS 41 CO 0.02 0.12 0.00 1.97 -0.92 0.00 0.00 175.35 176.53 3jrm n PHE 42 N 0.64 -0.00 -1.53 3.18 1.16 -0.43 -4.66 117.46 115.81 3jrm n PHE 42 Ca 0.02 -0.01 -0.47 0.00 -1.87 0.00 0.00 57.45 55.12 3jrm n PHE 42 Cb 0.48 0.00 -0.05 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 -2.99 1.43 -3.19 1.98 0.00 0.05 -2.06 120.51 115.73 3jrm n ALA 43 Ca -0.00 -0.14 -0.23 0.00 0.00 0.00 0.00 53.44 53.08 3jrm n ALA 43 Cb 0.00 -2.73 0.01 0.00 0.00 0.00 0.00 19.45 16.73 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 10.61 -4.84 -2.81 0.00 4.13 -1.26 -4.85 115.26 116.25 3jrm n ASN 44 Ca 0.35 -0.33 -0.01 0.00 1.68 0.00 0.00 54.58 56.26 3jrm n ASN 44 Cb 0.34 -3.95 0.01 0.00 -1.54 0.00 0.00 39.78 34.65 3jrm n ASN 44 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3jrm n GLY 45 N -1.33 0.66 3.33 7.41 0.00 -0.87 -0.39 105.19 114.00 3jrm n GLY 45 Ca -0.06 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.15 0.04 0.14 1.61 0.11 -0.81 -1.32 120.40 118.01 3jrm s VAL 46 Ca 0.18 -0.32 -0.00 0.00 -2.93 0.00 0.00 61.98 58.91 3jrm s VAL 46 Cb -0.02 -0.74 -0.04 0.00 -1.53 0.00 0.00 36.38 34.05 3jrm s VAL 46 CO 0.03 -0.18 0.04 -1.48 -3.33 0.00 0.00 175.10 170.19 3jrm s LEU 47 N -1.29 1.87 -0.01 2.54 0.05 -0.49 -2.01 118.68 119.34 3jrm s LEU 47 Ca -0.13 -1.20 0.03 0.00 0.05 0.00 0.00 54.13 52.88 3jrm s LEU 47 Cb -0.03 0.21 -0.01 0.00 -2.05 0.00 0.00 46.19 44.31 3jrm s LEU 47 CO 0.06 -0.69 -0.09 -0.76 -0.55 0.00 0.00 176.35 174.32 3jrm s LEU 48 N -3.08 1.98 -0.04 1.48 1.43 0.01 -2.09 118.68 118.36 3jrm s LEU 48 Ca 0.24 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 3jrm s LEU 48 Cb 0.07 -0.46 0.01 0.00 0.03 0.00 0.00 46.19 45.84 3jrm s LEU 48 CO 0.02 0.10 -0.11 -0.63 0.23 0.00 0.00 176.35 175.96 3jrm s ILE 49 N -0.14 0.96 -0.09 -0.59 1.01 0.07 -1.56 121.20 120.86 3jrm s ILE 49 Ca 0.02 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.27 3jrm s ILE 49 Cb -0.04 -0.87 0.02 0.00 0.01 0.00 0.00 42.46 41.58 3jrm s ILE 49 CO -0.00 0.30 -0.12 -0.55 0.00 0.00 0.00 174.94 174.57 3jrm s SER 50 N 0.40 2.05 0.51 3.58 0.15 -0.34 -0.33 113.70 119.73 3jrm s SER 50 Ca -0.08 -0.34 -0.21 0.00 0.70 0.00 0.00 55.95 56.02 3jrm s SER 50 Cb -0.12 -0.91 -0.06 0.00 -1.71 0.00 0.00 66.02 63.22 3jrm s SER 50 CO 0.02 -0.00 1.20 -0.62 1.20 0.00 0.00 173.24 175.04 3jrm s ASP 51 N 0.96 5.75 -0.21 5.45 2.15 -0.35 -1.31 116.67 129.09 3jrm s ASP 51 Ca -0.09 2.38 0.01 0.00 0.43 0.00 0.00 52.55 55.28 3jrm s ASP 51 Cb -0.15 -2.60 0.05 0.00 -0.30 0.00 0.00 42.92 39.92 3jrm s ASP 51 CO -0.00 -1.21 -0.07 -0.54 -0.17 0.00 0.00 175.17 173.18 3jrm s LYS 52 N -2.95 1.70 -0.88 4.34 1.02 -1.26 -4.66 119.74 117.05 3jrm s LYS 52 Ca 0.69 -0.87 -0.26 0.00 0.02 0.00 0.00 55.97 55.55 3jrm s LYS 52 Cb -0.30 -2.45 -0.16 0.00 -0.52 0.00 0.00 37.83 34.39 3jrm s LYS 52 CO 0.35 -0.53 2.32 -1.59 -0.92 0.00 0.00 175.35 174.99 3jrm s LYS 53 N 1.43 1.48 0.26 1.68 -2.85 -1.26 -4.91 119.74 115.58 3jrm s LYS 53 Ca -0.04 0.21 -0.30 0.00 -1.00 0.00 0.00 55.97 54.85 3jrm s LYS 53 Cb -0.18 -4.85 -0.09 0.00 -2.06 0.00 0.00 37.83 30.66 3jrm s LYS 53 CO -0.07 -4.76 1.02 0.08 0.10 0.00 0.00 175.35 171.72 3jrm s VAL 54 N 15.42 3.77 0.00 1.79 1.01 -1.26 -4.95 120.40 136.18 3jrm s VAL 54 Ca 0.89 1.79 0.00 0.00 0.00 0.00 0.00 61.98 64.66 3jrm s VAL 54 Cb -0.11 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.14 3jrm s VAL 54 CO 0.11 0.42 0.61 -2.11 0.00 0.00 0.00 175.10 174.13 3jrm n ARG 55 N 1.32 0.00 0.00 2.72 -4.01 -1.26 -5.10 116.66 110.34 3jrm n ARG 55 Ca -0.02 -0.46 0.00 0.00 -1.04 0.00 0.00 57.85 56.33 3jrm n ARG 55 Cb 0.46 -0.28 0.00 0.00 -3.04 0.00 0.00 32.46 29.60 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 0.13 2.89 2.88 -1.26 -4.98 113.62 113.28 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 0.44 0.00 -0.75 0.00 0.00 64.21 64.48 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 0.00-10.06 0.08 3.38 -2.06 -3.45 115.31 103.20 3jrm h LEU 58 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 3jrm h LEU 58 Cb 0.59 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.38 3jrm h LEU 58 CO 0.00 0.00 0.41 -0.63 0.09 0.00 0.00 178.44 178.31 3jrm s ILE 59 N -3.20 3.57 -0.34 1.22 -1.09 -1.17 -5.02 121.20 115.16 3jrm s ILE 59 Ca 0.08 1.01 -0.22 0.00 -2.23 0.00 0.00 60.65 59.28 3jrm s ILE 59 Cb 0.11 -3.42 0.00 0.00 -1.58 0.00 0.00 42.46 37.57 3jrm s ILE 59 CO 0.52 -0.18 0.74 -1.61 -1.23 0.00 0.00 174.94 173.18 3jrm s GLU 60 N -3.15 3.83 -0.06 2.79 0.41 -1.26 -4.96 118.70 116.29 3jrm s GLU 60 Ca 0.68 0.36 -0.19 0.00 -0.41 0.00 0.00 54.97 55.41 3jrm s GLU 60 Cb -0.20 -3.77 -0.14 0.00 -1.78 0.00 0.00 34.13 28.24 3jrm s GLU 60 CO 0.23 -0.74 0.74 0.37 -0.49 0.00 0.00 175.26 175.38 3jrm h GLN 61 N 8.32 -0.21 -0.00 1.61 -0.00 -1.94 -3.25 115.11 119.63 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 0.05 -0.00 0.00 0.00 0.00 0.00 27.48 28.63 3jrm h GLN 61 CO 0.87 0.20 0.26 -2.95 0.00 0.00 0.00 178.83 177.22 3jrm h ASN 62 N -0.92 0.00 0.00 -0.69 7.08 -2.05 -3.35 115.58 115.65 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 0.50 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.74 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 -2.94 0.00 -2.94 6.14 2.88 -1.23 -4.94 113.62 110.59 3jrm n SER 63 Ca -0.02 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.10 3jrm n SER 63 Cb 0.32 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.71 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 -3.63 2.46 -6.64 -1.25 -4.96 119.36 105.34 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 -0.32 -0.07 0.00 -1.44 0.00 0.00 39.64 37.80 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 2.69 0.85 0.15 6.28 -1.05 -1.26 -4.94 118.70 121.42 3jrm s GLU 65 Ca 0.72 0.19 0.11 0.00 -0.15 0.00 0.00 54.97 55.84 3jrm s GLU 65 Cb -0.97 0.40 -0.12 0.00 -0.44 0.00 0.00 34.13 33.00 3jrm s GLU 65 CO 0.49 -0.23 1.21 0.87 0.95 0.00 0.00 175.26 178.55 3jrm h LYS 66 N 3.71 0.00 -6.40 -4.83 1.57 -1.93 -3.43 116.57 105.26 3jrm h LYS 66 Ca -0.28 0.00 -0.54 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 0.35 0.70 0.36 0.42 -0.57 0.00 0.00 179.45 180.71 3jrm s ILE 67 N -2.80 4.86 -0.05 1.86 1.01 -1.26 -3.88 121.20 120.94 3jrm s ILE 67 Ca 0.01 2.04 0.02 0.00 0.00 0.00 0.00 60.65 62.71 3jrm s ILE 67 Cb 0.09 -4.31 0.02 0.00 0.01 0.00 0.00 42.46 38.27 3jrm s ILE 67 CO 0.80 0.17 -0.08 -1.10 0.00 0.00 0.00 174.94 174.73 3jrm s GLN 68 N 0.96 1.20 0.13 2.79 -1.52 0.36 -4.99 119.66 118.61 3jrm s GLN 68 Ca 0.51 -0.24 -0.31 0.00 -1.95 0.00 0.00 55.36 53.38 3jrm s GLN 68 Cb -0.21 -1.08 -0.08 0.00 -0.22 0.00 0.00 33.01 31.43 3jrm s GLN 68 CO 0.28 -0.03 1.31 -0.51 -0.25 0.00 0.00 175.29 176.09 3jrm s LEU 69 N 0.79 4.39 -0.13 2.90 1.43 -1.26 -0.58 118.68 126.22 3jrm s LEU 69 Ca -0.13 2.28 -0.06 0.00 -1.03 0.00 0.00 54.13 55.19 3jrm s LEU 69 Cb -0.15 -3.59 -0.26 0.00 0.03 0.00 0.00 46.19 42.22 3jrm s LEU 69 CO 0.02 -0.55 0.34 -0.38 0.23 0.00 0.00 176.35 176.00 3jrm n ILE 70 N 3.43 1.76 -2.49 -0.59 2.08 0.11 -4.91 119.36 118.74 3jrm n ILE 70 Ca 0.09 -0.66 0.00 0.00 0.56 0.00 0.00 62.75 62.74 3jrm n ILE 70 Cb 0.43 -1.69 0.00 0.00 -0.75 0.00 0.00 39.64 37.63 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 -3.46 0.00 0.25 4.38 3.85 -0.94 -4.71 116.55 115.92 3jrm n ASP 71 Ca -0.32 0.00 0.16 0.00 -0.71 0.00 0.00 54.79 53.91 3jrm n ASP 71 Cb 1.04 0.00 0.54 0.00 -1.35 0.00 0.00 41.12 41.35 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 -0.09 -1.12 3.32 -2.00 -3.25 116.42 113.28 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 -3.03 0.12 -3.73 4.55 4.02 -1.26 -1.64 117.16 116.18 3jrm n TYR 73 Ca 0.02 -0.21 -0.12 0.00 -0.01 0.00 0.00 57.90 57.57 3jrm n TYR 73 Cb 0.36 -0.02 -0.12 0.00 -0.02 0.00 0.00 39.34 39.54 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 -0.74 -0.03 0.18 -0.72 1.01 -1.23 -1.87 120.40 117.00 3jrm s VAL 74 Ca 0.10 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.24 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 0.05 -0.06 0.00 0.00 0.00 0.00 175.10 175.18 3jrm s ALA 75 N 1.08 1.61 0.03 5.51 0.00 -0.25 0.05 121.76 129.78 3jrm s ALA 75 Ca -0.08 -1.62 0.01 0.00 0.00 0.00 0.00 51.96 50.28 3jrm s ALA 75 Cb -0.09 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 3jrm s ALA 75 CO -0.07 -0.17 -0.05 0.00 0.00 0.00 0.00 175.76 175.47 3jrm s ALA 76 N -3.37 0.33 0.09 0.00 0.00 0.25 -1.66 121.76 117.41 3jrm s ALA 76 Ca 0.22 -0.59 0.10 0.00 0.00 0.00 0.00 51.96 51.69 3jrm s ALA 76 Cb 0.04 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 3jrm s ALA 76 CO 0.04 -0.06 -0.24 0.14 0.00 0.00 0.00 175.76 175.64 3jrm s VAL 77 N -1.20 2.39 0.25 0.00 -7.23 -0.44 -0.48 120.40 113.69 3jrm s VAL 77 Ca -0.11 -1.55 0.07 0.00 -1.81 0.00 0.00 61.98 58.59 3jrm s VAL 77 Cb -0.09 -2.02 -0.05 0.00 0.56 0.00 0.00 36.38 34.78 3jrm s VAL 77 CO -0.00 0.20 -0.09 0.42 -0.31 0.00 0.00 175.10 175.31 3jrm s THR 78 N -0.99 1.67 -0.12 5.32 -4.23 -1.25 -0.57 115.64 115.47 3jrm s THR 78 Ca 0.14 -2.16 -0.09 0.00 -1.18 0.00 0.00 61.69 58.40 3jrm s THR 78 Cb -0.10 -2.29 0.04 0.00 1.34 0.00 0.00 72.50 71.49 3jrm s THR 78 CO 0.06 -0.42 0.31 -0.55 -0.54 0.00 0.00 174.62 173.48 3jrm s SER 79 N -3.39 -0.34 0.00 3.99 0.15 -0.42 -4.95 113.70 108.73 3jrm s SER 79 Ca 0.27 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.56 3jrm s SER 79 Cb 0.02 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 3jrm s SER 79 CO 0.10 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.00 3jrm n GLY 80 N 3.64 0.50 3.66 9.45 0.00 -1.26 -1.53 105.19 119.64 3jrm n GLY 80 Ca -0.19 -1.65 -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 4.36 0.12 0.99 1.43 -0.23 -4.75 118.68 120.59 3jrm s LEU 81 Ca 0.00 2.58 -0.20 0.00 -1.03 0.00 0.00 54.13 55.47 3jrm s LEU 81 Cb 0.00 -3.53 -0.07 0.00 0.03 0.00 0.00 46.19 42.62 3jrm s LEU 81 CO 0.00 -1.10 1.75 -0.37 0.23 0.00 0.00 176.35 176.86 3jrm h VAL 82 N 5.73 0.98 -0.52 -1.59 -1.51 -1.96 -1.50 116.25 115.88 3jrm h VAL 82 Ca -0.48 -0.05 -0.01 0.00 -1.23 0.00 0.00 66.70 64.93 3jrm h VAL 82 Cb 1.23 0.83 -0.02 0.00 -2.13 0.00 0.00 31.29 31.19 3jrm h VAL 82 CO 0.94 0.03 0.30 0.00 -1.23 0.00 0.00 177.57 177.61 3jrm h ALA 83 N 1.09 0.67 -0.59 5.19 0.00 -2.00 -1.06 119.26 122.55 3jrm h ALA 83 Ca 0.06 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.98 3jrm h ALA 83 Cb 0.03 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.54 3jrm h ALA 83 CO -0.06 0.17 0.23 -0.44 0.00 0.00 0.00 179.25 179.16 3jrm h ASP 84 N 0.70 0.25 -0.73 0.00 5.19 -1.93 -2.08 116.42 117.82 3jrm h ASP 84 Ca 0.18 0.07 0.04 0.00 -0.62 0.00 0.00 57.03 56.70 3jrm h ASP 84 Cb 0.03 0.04 -0.05 0.00 0.18 0.00 0.00 39.33 39.53 3jrm h ASP 84 CO -0.03 0.16 0.45 0.00 -3.12 0.00 0.00 179.24 176.69 3jrm h ALA 85 N 1.39 0.97 -0.51 3.45 0.00 -0.53 -1.89 119.26 122.14 3jrm h ALA 85 Ca 0.29 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 3jrm h ALA 85 Cb 0.34 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3jrm h ALA 85 CO -0.28 0.21 0.22 -0.09 0.00 0.00 0.00 179.25 179.30 3jrm h ARG 86 N 0.86 0.75 -0.64 0.00 2.43 -0.56 -0.15 114.38 117.08 3jrm h ARG 86 Ca 0.30 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 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 -0.13 0.65 0.22 0.28 -1.51 0.00 0.00 179.97 179.48 3jrm h VAL 87 N 0.68 1.23 -0.13 0.20 2.07 -1.02 -1.59 116.25 117.69 3jrm h VAL 87 Ca 0.17 -0.78 -0.20 0.00 0.82 0.00 0.00 66.70 66.71 3jrm h VAL 87 Cb 0.17 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3jrm h VAL 87 CO -0.02 0.30 -0.75 -0.07 0.02 0.00 0.00 177.57 177.06 3jrm h LEU 88 N 0.93 0.75 -0.53 2.57 3.38 -0.79 -1.97 115.31 119.65 3jrm h LEU 88 Ca 0.21 -0.48 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 3jrm h LEU 88 Cb 0.24 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3jrm h LEU 88 CO -0.01 1.26 0.10 0.58 0.09 0.00 0.00 178.44 180.46 3jrm h VAL 89 N 0.43 1.25 -0.56 1.22 2.07 -0.71 -0.56 116.25 119.40 3jrm h VAL 89 Ca -0.04 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 3jrm h VAL 89 Cb 1.35 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 3jrm h VAL 89 CO 0.14 0.33 0.34 0.44 0.02 0.00 0.00 177.57 178.85 3jrm h ASP 90 N 0.75 0.65 -0.42 0.57 3.32 -1.24 -0.33 116.42 119.73 3jrm h ASP 90 Ca 0.16 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.09 3jrm h ASP 90 Cb 0.38 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3jrm h ASP 90 CO 0.01 0.50 -0.11 0.15 -1.72 0.00 0.00 179.24 178.06 3jrm h PHE 91 N 0.76 0.93 -0.85 4.55 3.57 -1.03 -1.82 116.94 123.05 3jrm h PHE 91 Ca 0.20 -0.20 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 3jrm h PHE 91 Cb -0.04 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.43 3jrm h PHE 91 CO 0.00 0.94 0.52 0.00 -2.23 0.00 0.00 178.31 177.55 3jrm h ALA 92 N 0.85 1.08 -0.19 2.41 0.00 -0.47 0.04 119.26 122.98 3jrm h ALA 92 Ca 0.11 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3jrm h ALA 92 Cb 0.65 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3jrm h ALA 92 CO 0.04 0.53 -0.07 0.00 0.00 0.00 0.00 179.25 179.75 3jrm h ARG 93 N 1.16 0.39 -0.40 0.00 3.08 -0.90 -1.16 114.38 116.55 3jrm h ARG 93 Ca 0.31 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3jrm h ARG 93 Cb -0.06 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3jrm h ARG 93 CO -0.06 0.67 0.20 0.82 -1.07 0.00 0.00 179.97 180.53 3jrm h ILE 94 N 0.10 1.17 -0.76 2.04 2.04 -1.24 -2.41 117.51 118.45 3jrm h ILE 94 Ca 0.05 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 3jrm h ILE 94 Cb 0.55 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 3jrm h ILE 94 CO 0.02 0.18 0.45 -1.28 0.00 0.00 0.00 178.15 177.53 3jrm h SER 95 N 0.51 0.92 -0.26 1.72 0.87 -0.89 0.16 113.55 116.59 3jrm h SER 95 Ca 0.14 -0.07 0.03 0.00 -1.23 0.00 0.00 61.79 60.66 3jrm h SER 95 Cb 0.11 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 3jrm h SER 95 CO -0.02 0.72 0.08 0.00 -0.53 0.00 0.00 176.83 177.08 3jrm h ALA 96 N 1.24 0.28 -0.12 6.23 0.00 -1.11 -2.32 119.26 123.46 3jrm h ALA 96 Ca 0.27 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 3jrm h ALA 96 Cb -0.02 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3jrm h ALA 96 CO -0.05 -0.33 -0.30 1.96 0.00 0.00 0.00 179.25 180.52 3jrm h GLN 97 N 0.19 0.23 -0.91 0.00 1.08 -0.85 -1.71 115.11 113.15 3jrm h GLN 97 Ca 0.12 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 3jrm h GLN 97 Cb 0.09 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.47 3jrm h GLN 97 CO -0.13 0.52 0.52 1.96 -0.95 0.00 0.00 178.83 180.75 3jrm h GLN 98 N 0.21 1.25 -0.42 1.46 4.20 -0.74 -0.94 115.11 120.13 3jrm h GLN 98 Ca 0.03 -0.13 -0.15 0.00 0.06 0.00 0.00 58.65 58.46 3jrm h GLN 98 Cb 0.64 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3jrm h GLN 98 CO 0.05 0.90 -0.33 1.49 -0.67 0.00 0.00 178.83 180.26 3jrm h GLU 99 N 1.26 0.96 -0.56 1.46 4.81 -0.85 -2.14 114.58 119.52 3jrm h GLU 99 Ca 0.32 -0.48 -0.08 0.00 -0.13 0.00 0.00 59.36 59.00 3jrm h GLU 99 Cb -0.01 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3jrm h GLU 99 CO -0.06 1.14 0.04 0.87 -0.73 0.00 0.00 179.01 180.28 3jrm h LYS 100 N 0.79 0.92 -0.55 1.92 1.57 -0.99 -1.49 116.57 118.74 3jrm h LYS 100 Ca 0.08 -0.25 -0.12 0.00 -1.87 0.00 0.00 60.65 58.50 3jrm h LYS 100 Cb 0.92 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 3jrm h LYS 100 CO 0.09 0.89 -0.11 0.28 -0.57 0.00 0.00 179.45 180.02 3jrm h VAL 101 N 0.86 1.27 -0.30 0.50 2.07 -1.08 0.19 116.25 119.76 3jrm h VAL 101 Ca 0.17 -1.27 -0.13 0.00 0.82 0.00 0.00 66.70 66.29 3jrm h VAL 101 Cb 0.45 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3jrm h VAL 101 CO 0.02 0.45 -0.32 0.74 0.02 0.00 0.00 177.57 178.48 3jrm h THR 102 N 0.93 1.30 0.00 2.57 2.02 -0.95 -3.37 112.91 115.41 3jrm h THR 102 Ca 0.14 -1.49 0.00 0.00 0.77 0.00 0.00 66.41 65.83 3jrm h THR 102 Cb 0.68 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 3jrm h THR 102 CO 0.05 0.48 -0.36 -1.22 0.37 0.00 0.00 175.52 174.84 3jrm n TYR 103 N -4.22 0.00 0.00 3.16 4.01 -0.60 -5.01 117.16 114.50 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 0.49 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 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 1.26 2.66 3.83 2.72 0.00 0.68 -4.99 105.19 111.36 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 -1.59 -0.08 -0.78 1.61 1.04 -1.25 -4.92 113.70 107.73 3jrm s SER 105 Ca 0.00 -0.86 -0.02 0.00 0.48 0.00 0.00 55.95 55.55 3jrm s SER 105 Cb 0.00 0.72 0.20 0.00 0.10 0.00 0.00 66.02 67.04 3jrm s SER 105 CO 0.00 -1.41 0.64 -0.22 0.98 0.00 0.00 173.24 173.23 3jrm s LEU 106 N -3.08 5.42 0.15 2.42 0.20 -1.26 -4.42 118.68 118.11 3jrm s LEU 106 Ca 0.15 -3.40 -0.14 0.00 0.69 0.00 0.00 54.13 51.42 3jrm s LEU 106 Cb -0.04 -1.88 0.03 0.00 -0.43 0.00 0.00 46.19 43.87 3jrm s LEU 106 CO 0.08 -0.25 1.74 0.58 -0.29 0.00 0.00 176.35 178.21 3jrm h VAL 107 N 4.53 1.19 -3.27 1.68 2.07 -1.99 -3.41 116.25 117.05 3jrm h VAL 107 Ca 0.09 -0.53 -0.57 0.00 0.82 0.00 0.00 66.70 66.52 3jrm h VAL 107 Cb 0.86 0.64 -0.40 0.00 -1.52 0.00 0.00 31.29 30.88 3jrm h VAL 107 CO 0.79 0.21 -0.76 0.21 0.02 0.00 0.00 177.57 178.04 3jrm s ASN 108 N -5.86 3.66 0.58 0.57 3.84 -1.26 -1.76 114.94 114.72 3jrm s ASN 108 Ca -0.13 -1.32 0.30 0.00 0.21 0.00 0.00 52.86 51.92 3jrm s ASN 108 Cb 0.11 -0.84 1.42 0.00 -0.55 0.00 0.00 41.25 41.39 3jrm s ASN 108 CO 0.76 -0.35 1.80 0.40 -2.79 0.00 0.00 177.10 176.91 3jrm h ILE 109 N 6.53 0.34 -0.90 -5.21 2.04 -1.94 -1.60 117.51 116.76 3jrm h ILE 109 Ca -0.15 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.84 3jrm h ILE 109 Cb 1.06 0.49 -0.07 0.00 -0.74 0.00 0.00 36.82 37.55 3jrm h ILE 109 CO 0.42 0.00 0.58 -0.08 0.00 0.00 0.00 178.15 179.07 3jrm h GLU 110 N 0.00 0.73 -0.22 2.37 4.81 -1.98 -2.19 114.58 118.10 3jrm h GLU 110 Ca 0.34 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 59.32 3jrm h GLU 110 Cb 1.67 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.88 3jrm h GLU 110 CO -0.00 0.48 -0.64 -0.91 -0.73 0.00 0.00 179.01 177.21 3jrm h ASN 111 N 0.75 0.91 -0.49 1.04 4.21 -1.72 0.36 115.58 120.64 3jrm h ASN 111 Ca 0.44 -0.53 0.09 0.00 1.21 0.00 0.00 56.30 57.51 3jrm h ASN 111 Cb 0.64 -0.26 -0.08 0.00 -1.12 0.00 0.00 38.32 37.50 3jrm h ASN 111 CO -0.21 1.32 0.02 0.25 -1.29 0.00 0.00 177.43 177.53 3jrm h LEU 112 N 0.58 -0.15 -0.36 1.61 5.85 -1.58 -1.42 115.31 119.84 3jrm h LEU 112 Ca -0.01 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3jrm h LEU 112 Cb 1.25 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.45 3jrm h LEU 112 CO 0.13 -0.05 0.13 0.58 -0.34 0.00 0.00 178.44 178.90 3jrm h VAL 113 N 0.14 1.20 -0.96 1.05 2.07 -1.01 -2.36 116.25 116.38 3jrm h VAL 113 Ca 0.25 -0.62 0.11 0.00 0.82 0.00 0.00 66.70 67.25 3jrm h VAL 113 Cb 0.36 0.93 -0.08 0.00 -1.52 0.00 0.00 31.29 30.98 3jrm h VAL 113 CO -0.38 0.22 0.60 0.11 0.02 0.00 0.00 177.57 178.13 3jrm h LYS 114 N 0.43 0.93 -0.75 1.57 1.57 -0.52 0.27 116.57 120.07 3jrm h LYS 114 Ca 0.12 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 3jrm h LYS 114 Cb 0.21 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3jrm h LYS 114 CO -0.01 0.61 0.23 0.00 -0.57 0.00 0.00 179.45 179.71 3jrm h ARG 115 N 0.96 1.17 -0.38 3.15 3.08 -0.77 0.27 114.38 121.85 3jrm h ARG 115 Ca 0.47 -0.25 -0.08 0.00 0.07 0.00 0.00 59.98 60.19 3jrm h ARG 115 Cb 0.45 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3jrm h ARG 115 CO -0.26 0.99 -0.08 0.28 -1.07 0.00 0.00 179.97 179.84 3jrm h VAL 116 N 1.12 1.27 -0.20 2.04 2.07 -0.90 -2.43 116.25 119.22 3jrm h VAL 116 Ca 0.24 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.56 3jrm h VAL 116 Cb 0.32 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3jrm h VAL 116 CO -0.01 0.38 -0.12 0.00 0.02 0.00 0.00 177.57 177.85 3jrm h ALA 117 N 0.84 1.43 -0.28 1.67 0.00 -0.08 -2.21 119.26 120.63 3jrm h ALA 117 Ca 0.10 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 3jrm h ALA 117 Cb 0.58 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3jrm h ALA 117 CO 0.03 0.40 -0.38 -0.44 0.00 0.00 0.00 179.25 178.86 3jrm h ASP 118 N 0.30 0.82 -0.83 0.00 3.32 -0.36 -0.75 116.42 118.91 3jrm h ASP 118 Ca 0.06 -0.50 0.12 0.00 0.02 0.00 0.00 57.03 56.73 3jrm h ASP 118 Cb 0.40 -0.23 -0.08 0.00 0.22 0.00 0.00 39.33 39.63 3jrm h ASP 118 CO 0.02 1.16 0.45 -0.61 -1.72 0.00 0.00 179.24 178.54 3jrm h GLN 119 N 0.50 0.68 -0.21 3.56 5.75 -1.21 -1.40 115.11 122.77 3jrm h GLN 119 Ca 0.03 -0.04 -0.21 0.00 -0.15 0.00 0.00 58.65 58.28 3jrm h GLN 119 Cb 0.97 -0.15 0.01 0.00 1.07 0.00 0.00 27.48 29.38 3jrm h GLN 119 CO 0.09 0.45 -0.68 0.52 -2.65 0.00 0.00 178.83 176.56 3jrm h MET 120 N 0.70 0.82 -0.69 1.69 2.86 -1.15 -3.21 114.93 115.94 3jrm h MET 120 Ca 0.43 -0.60 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 3jrm h MET 120 Cb 0.52 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.25 3jrm h MET 120 CO -0.31 1.22 0.41 0.37 1.06 0.00 0.00 176.91 179.66 3jrm h GLN 121 N 0.59 0.95 -0.85 1.72 -0.00 -0.78 -2.50 115.11 114.24 3jrm h GLN 121 Ca -0.02 -0.09 0.20 0.00 -0.00 0.00 0.00 58.65 58.73 3jrm h GLN 121 Cb 1.30 -0.19 -0.12 0.00 0.00 0.00 0.00 27.48 28.47 3jrm h GLN 121 CO 0.14 0.69 0.33 1.96 0.00 0.00 0.00 178.83 181.95 3jrm h GLN 122 N 0.94 0.37 0.00 1.69 4.20 -1.27 0.13 115.11 121.18 3jrm h GLN 122 Ca 0.25 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3jrm h GLN 122 Cb -0.01 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.69 3jrm h GLN 122 CO -0.04 0.24 0.00 0.66 -0.67 0.00 0.00 178.83 179.02 3jrm n TYR 123 N -5.06 0.00 -0.00 2.96 4.02 -0.94 -1.78 117.16 116.36 3jrm n TYR 123 Ca 0.19 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 58.13 3jrm n TYR 123 Cb 0.58 0.00 0.11 0.00 -0.02 0.00 0.00 39.34 40.01 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 -0.59 0.73 0.00 -0.72 -2.24 0.46 -3.11 114.28 108.80 3jrm n THR 124 Ca 0.04 -0.86 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 3jrm n THR 124 Cb 0.02 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 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 0.44 2.50 -4.13 -0.78 7.27 -0.73 -4.75 117.38 117.19 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 0.36 -0.78 -0.13 0.00 2.41 0.00 0.00 30.24 32.10 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 -1.27 3.03 0.85 3.69 2.02 -1.16 -4.84 117.35 119.67 3jrm s TYR 126 Ca 0.00 -0.46 -0.11 0.00 -0.37 0.00 0.00 57.07 56.13 3jrm s TYR 126 Cb 0.00 -2.06 0.11 0.00 -0.40 0.00 0.00 41.96 39.61 3jrm s TYR 126 CO 0.00 -0.22 1.16 0.20 -1.57 0.00 0.00 175.55 175.12 3jrm s GLY 127 N 0.90 1.88 0.00 0.71 0.00 -1.26 -3.68 107.32 105.87 3jrm s GLY 127 Ca 0.01 0.65 0.00 0.00 0.00 0.00 0.00 44.72 45.38 3jrm s GLY 127 CO 0.02 1.06 0.00 0.61 0.00 0.00 0.00 173.10 174.79 3jrm n GLY 128 N 0.13 0.71 3.20 0.20 0.00 -1.26 -5.05 105.19 103.13 3jrm n GLY 128 Ca 0.12 0.00 -0.15 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 1.04 0.21 1.61 -7.23 -1.24 -5.16 120.40 107.44 3jrm s VAL 129 Ca 0.00 -1.75 0.05 0.00 -1.81 0.00 0.00 61.98 58.47 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 -0.59 0.26 0.00 -0.31 0.00 0.00 175.10 174.46 3jrm s ARG 130 N -3.02 3.22 0.86 4.82 1.70 -1.26 -4.83 118.95 120.44 3jrm s ARG 130 Ca 0.09 -0.81 -0.10 0.00 -0.47 0.00 0.00 55.73 54.43 3jrm s ARG 130 Cb -0.02 -2.79 0.11 0.00 -0.57 0.00 0.00 34.95 31.69 3jrm s ARG 130 CO 0.00 0.46 1.12 -2.14 -1.08 0.00 0.00 175.30 173.66 3jrm s PRO 131 N -3.60 1.46 0.04 3.89 0.02 -1.18 -4.91 135.00 130.73 3jrm s PRO 131 Ca 0.33 1.33 -0.30 0.00 0.02 0.00 0.00 61.00 62.38 3jrm s PRO 131 Cb -0.09 -1.79 -0.05 0.00 0.02 0.00 0.00 34.50 32.58 3jrm s PRO 131 CO 0.27 -2.25 1.22 0.71 -0.33 0.00 0.00 177.00 176.61 3jrm s TYR 132 N -2.76 3.36 -1.40 6.54 1.51 -1.26 -4.94 117.35 118.39 3jrm s TYR 132 Ca 0.64 1.25 -0.07 0.00 -1.01 0.00 0.00 57.07 57.88 3jrm s TYR 132 Cb -0.20 -3.44 0.07 0.00 -0.11 0.00 0.00 41.96 38.27 3jrm s TYR 132 CO 0.57 -1.39 2.50 0.41 -1.11 0.00 0.00 175.55 176.54 3jrm n GLY 133 N 3.28 4.92 2.94 0.71 0.00 -1.26 -4.51 105.19 111.26 3jrm n GLY 133 Ca 0.10 -1.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.08 0.04 0.09 1.61 1.01 -1.26 -1.07 120.40 120.73 3jrm s VAL 134 Ca 0.57 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 62.34 3jrm s VAL 134 Cb 0.18 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.38 3jrm s VAL 134 CO -0.08 -0.16 -0.15 -0.44 0.00 0.00 0.00 175.10 174.27 3jrm s SER 135 N -0.47 4.06 0.04 3.32 0.01 -0.58 -2.66 113.70 117.41 3jrm s SER 135 Ca -0.05 -0.46 0.07 0.00 1.31 0.00 0.00 55.95 56.81 3jrm s SER 135 Cb -0.03 -0.67 -0.02 0.00 0.21 0.00 0.00 66.02 65.50 3jrm s SER 135 CO -0.00 0.20 -0.19 -0.76 0.41 0.00 0.00 173.24 172.90 3jrm s LEU 136 N -1.99 2.17 -0.14 2.44 1.02 0.65 -1.30 118.68 121.51 3jrm s LEU 136 Ca 0.18 -0.50 -0.04 0.00 0.02 0.00 0.00 54.13 53.79 3jrm s LEU 136 Cb -0.11 -0.89 -0.03 0.00 0.02 0.00 0.00 46.19 45.18 3jrm s LEU 136 CO 0.10 0.13 -0.00 -0.63 0.02 0.00 0.00 176.35 175.97 3jrm s ILE 137 N -0.80 4.24 -0.12 -0.59 1.01 0.27 -1.06 121.20 124.14 3jrm s ILE 137 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.47 3jrm s ILE 137 Cb -0.09 -2.85 -0.02 0.00 0.01 0.00 0.00 42.46 39.52 3jrm s ILE 137 CO 0.02 0.51 -0.13 -0.36 0.00 0.00 0.00 174.94 174.98 3jrm s PHE 138 N 0.03 2.79 -0.01 3.97 0.08 0.26 -1.33 117.98 123.78 3jrm s PHE 138 Ca 0.02 -0.58 0.00 0.00 0.12 0.00 0.00 56.93 56.49 3jrm s PHE 138 Cb -0.13 -1.81 0.01 0.00 -0.57 0.00 0.00 43.02 40.52 3jrm s PHE 138 CO 0.02 -0.16 0.01 0.00 -0.10 0.00 0.00 175.22 174.99 3jrm s ALA 139 N 0.21 0.07 0.04 5.36 0.00 -0.66 -0.46 121.76 126.32 3jrm s ALA 139 Ca -0.08 0.13 -0.10 0.00 0.00 0.00 0.00 51.96 51.90 3jrm s ALA 139 Cb -0.15 -0.13 0.04 0.00 0.00 0.00 0.00 23.12 22.88 3jrm s ALA 139 CO 0.05 -0.04 0.49 0.41 0.00 0.00 0.00 175.76 176.66 3jrm n GLY 140 N 3.59 0.78 3.44 0.00 0.00 -0.85 -1.09 105.19 111.06 3jrm n GLY 140 Ca -0.20 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.25 3.07 0.00 -0.61 -1.09 -0.78 -0.08 121.20 119.46 3jrm s ILE 141 Ca 0.11 -0.69 0.00 0.00 -2.23 0.00 0.00 60.65 57.84 3jrm s ILE 141 Cb -0.01 -2.24 0.00 0.00 -1.58 0.00 0.00 42.46 38.63 3jrm s ILE 141 CO 0.01 0.57 0.00 -0.90 -1.23 0.00 0.00 174.94 173.39 3jrm n ASP 142 N 2.78 0.55 0.24 3.58 5.68 -0.30 -4.84 116.55 124.24 3jrm n ASP 142 Ca -0.18 -0.74 0.16 0.00 -0.50 0.00 0.00 54.79 53.54 3jrm n ASP 142 Cb 0.52 0.00 0.69 0.00 -1.14 0.00 0.00 41.12 41.19 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 0.09 0.11 4.20 -1.60 -2.04 115.11 115.87 3jrm h GLN 143 Ca 0.00 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.45 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 -1.14 0.82 -0.67 0.00 0.00 178.83 177.84 3jrm h ILE 144 N 0.00 1.48 0.00 2.54 5.03 -1.97 -3.51 117.51 121.08 3jrm h ILE 144 Ca 0.00 -2.89 0.00 0.00 -0.12 0.00 0.00 64.86 61.85 3jrm h ILE 144 Cb 0.39 2.78 0.00 0.00 -3.03 0.00 0.00 36.82 36.97 3jrm h ILE 144 CO 0.00 0.85 0.00 0.61 -0.68 0.00 0.00 178.15 178.93 3jrm n GLY 145 N 1.34 0.64 3.73 5.37 0.00 -0.77 -5.08 105.19 110.42 3jrm n GLY 145 Ca -0.07 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 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 4.48 0.12 1.61 0.02 -1.26 -1.15 135.00 136.82 3jrm s PRO 146 Ca 0.00 1.82 0.09 0.00 0.02 0.00 0.00 61.00 62.93 3jrm s PRO 146 Cb 0.00 -3.28 -0.04 0.00 0.02 0.00 0.00 34.50 31.20 3jrm s PRO 146 CO 0.00 -0.13 -0.22 1.03 -0.33 0.00 0.00 177.00 177.35 3jrm s ARG 147 N 0.24 1.21 -0.18 5.54 1.81 0.88 -4.98 118.95 123.46 3jrm s ARG 147 Ca 0.55 -1.24 -0.04 0.00 -1.72 0.00 0.00 55.73 53.28 3jrm s ARG 147 Cb -0.31 -1.52 0.09 0.00 -0.45 0.00 0.00 34.95 32.76 3jrm s ARG 147 CO 0.34 0.35 0.29 -1.17 -0.68 0.00 0.00 175.30 174.43 3jrm s LEU 148 N -2.03 -0.36 0.15 2.53 2.96 -1.26 -2.00 118.68 118.68 3jrm s LEU 148 Ca 0.09 0.32 0.09 0.00 -0.22 0.00 0.00 54.13 54.41 3jrm s LEU 148 Cb -0.10 0.77 -0.04 0.00 0.50 0.00 0.00 46.19 47.33 3jrm s LEU 148 CO 0.05 -0.28 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.25 3jrm s PHE 149 N 2.44 1.86 0.44 5.38 0.40 0.40 -0.52 117.98 128.39 3jrm s PHE 149 Ca 0.05 -0.45 0.05 0.00 -0.60 0.00 0.00 56.93 55.99 3jrm s PHE 149 Cb -0.14 -0.95 -0.06 0.00 0.51 0.00 0.00 43.02 42.38 3jrm s PHE 149 CO -0.12 0.32 0.02 0.16 0.70 0.00 0.00 175.22 176.31 3jrm s ASP 150 N -2.48 4.00 -0.29 1.36 1.47 -0.39 -0.57 116.67 119.76 3jrm s ASP 150 Ca 0.14 -1.43 -0.14 0.00 1.18 0.00 0.00 52.55 52.31 3jrm s ASP 150 Cb -0.07 -0.14 0.11 0.00 -0.34 0.00 0.00 42.92 42.49 3jrm s ASP 150 CO 0.06 -0.58 0.73 0.00 0.68 0.00 0.00 175.17 176.07 3jrm s ASP 152 N 2.18 4.42 0.66 0.00 -4.77 -1.01 -0.25 116.67 117.89 3jrm s ASP 152 Ca -0.08 -1.35 0.40 0.00 -3.30 0.00 0.00 52.55 48.23 3jrm s ASP 152 Cb -0.08 0.27 2.19 0.00 -1.09 0.00 0.00 42.92 44.22 3jrm s ASP 152 CO -0.19 -0.91 2.23 -0.65 0.70 0.00 0.00 175.17 176.36 3jrm h PRO 153 N 1.09 0.00 0.00 2.11 0.11 -1.74 -1.01 132.00 132.56 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 0.65 0.00 -0.09 0.00 -0.21 0.00 0.00 178.00 178.36 3jrm n ALA 154 N -2.02 2.40 -0.68 -0.75 0.00 -1.26 -4.65 120.51 113.55 3jrm n ALA 154 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3jrm n ALA 154 Cb 0.15 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 1.35 0.61 3.72 0.00 0.00 -0.38 -4.14 105.19 106.34 3jrm n GLY 155 Ca 0.06 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 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 4.67 0.02 2.61 2.01 -1.26 -4.74 115.64 116.95 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 0.22 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.30 3jrm s ILE 157 N 0.59 2.44 -0.02 1.82 1.01 -1.26 -2.42 121.20 123.37 3jrm s ILE 157 Ca 0.50 -1.18 -0.08 0.00 0.00 0.00 0.00 60.65 59.89 3jrm s ILE 157 Cb -0.22 -1.96 0.01 0.00 0.01 0.00 0.00 42.46 40.30 3jrm s ILE 157 CO 0.29 0.43 0.17 0.20 0.00 0.00 0.00 174.94 176.03 3jrm s ASN 158 N -1.11 -0.07 -0.12 3.58 -0.87 -1.12 -5.00 114.94 110.23 3jrm s ASN 158 Ca 0.12 0.00 -0.09 0.00 -1.57 0.00 0.00 52.86 51.32 3jrm s ASN 158 Cb -0.10 0.27 -0.04 0.00 -0.02 0.00 0.00 41.25 41.36 3jrm s ASN 158 CO 0.02 -0.29 0.19 -0.70 -2.57 0.00 0.00 177.10 173.75 3jrm s GLU 159 N -0.94 3.73 0.20 -0.60 2.12 -1.26 -1.27 118.70 120.68 3jrm s GLU 159 Ca -0.10 -0.05 0.05 0.00 0.36 0.00 0.00 54.97 55.23 3jrm s GLU 159 Cb -0.06 -3.26 -0.05 0.00 0.26 0.00 0.00 34.13 31.02 3jrm s GLU 159 CO 0.01 0.62 -0.08 0.71 -0.54 0.00 0.00 175.26 175.99 3jrm s TYR 160 N -0.62 1.56 -0.04 5.30 1.51 0.33 -4.99 117.35 120.40 3jrm s TYR 160 Ca 0.15 -0.74 0.04 0.00 -1.01 0.00 0.00 57.07 55.51 3jrm s TYR 160 Cb -0.13 -0.82 -0.25 0.00 -0.11 0.00 0.00 41.96 40.66 3jrm s TYR 160 CO 0.04 0.16 0.69 0.87 -1.11 0.00 0.00 175.55 176.20 3jrm h LYS 161 N 2.56 0.11 -2.12 -0.62 1.57 -1.94 -3.38 116.57 112.76 3jrm h LYS 161 Ca -0.38 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.14 3jrm h LYS 161 Cb 1.21 0.07 -0.20 0.00 0.08 0.00 0.00 32.23 33.40 3jrm h LYS 161 CO 0.64 0.83 0.12 0.00 -0.57 0.00 0.00 179.45 180.47 3jrm s ALA 162 N -2.60 -1.65 0.29 3.86 0.00 -1.26 -0.57 121.76 119.82 3jrm s ALA 162 Ca -0.09 1.34 -0.20 0.00 0.00 0.00 0.00 51.96 53.01 3jrm s ALA 162 Cb 0.08 -0.22 0.04 0.00 0.00 0.00 0.00 23.12 23.02 3jrm s ALA 162 CO 0.82 -0.35 0.79 -0.08 0.00 0.00 0.00 175.76 176.94 3jrm s THR 163 N -0.89 0.00 0.21 0.00 -1.32 -0.60 -5.01 115.64 108.04 3jrm s THR 163 Ca -0.09 -0.93 -0.07 0.00 -1.21 0.00 0.00 61.69 59.39 3jrm s THR 163 Cb -0.01 -2.32 -0.02 0.00 -1.51 0.00 0.00 72.50 68.64 3jrm s THR 163 CO 0.08 0.00 0.29 0.00 -2.21 0.00 0.00 174.62 172.78 3jrm s ALA 164 N -3.25 0.42 0.07 11.08 0.00 -1.26 -1.69 121.76 127.13 3jrm s ALA 164 Ca 0.13 -1.24 -0.06 0.00 0.00 0.00 0.00 51.96 50.79 3jrm s ALA 164 Cb -0.05 1.16 -0.02 0.00 0.00 0.00 0.00 23.12 24.22 3jrm s ALA 164 CO 0.08 -0.70 0.10 0.96 0.00 0.00 0.00 175.76 176.20 3jrm s ILE 165 N -4.07 0.16 0.00 0.00 -4.36 -0.60 -4.92 121.20 107.41 3jrm s ILE 165 Ca 0.29 -1.36 0.00 0.00 -0.26 0.00 0.00 60.65 59.32 3jrm s ILE 165 Cb 0.03 -1.30 0.00 0.00 1.25 0.00 0.00 42.46 42.44 3jrm s ILE 165 CO 0.09 -0.75 0.00 0.61 0.24 0.00 0.00 174.94 175.13 3jrm n GLY 166 N 0.17 -2.17 0.11 6.27 0.00 -1.26 -1.52 105.19 106.79 3jrm n GLY 166 Ca -0.16 -2.09 -0.08 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.16 -0.02 1.61 4.64 -0.49 -2.03 113.55 117.11 3jrm h SER 167 Ca 0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3jrm h SER 167 Cb 0.00 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3jrm h SER 167 CO 0.00 -0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.52 3jrm n GLY 168 N -1.21 0.53 0.35 -0.77 0.00 -1.26 -4.48 105.19 98.35 3jrm n GLY 168 Ca -0.02 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 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 0.10 -0.21 -0.39 1.61 3.64 -1.59 -1.67 116.57 118.07 3jrm h LYS 169 Ca 0.00 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 3jrm h LYS 169 Cb 0.33 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3jrm h LYS 169 CO 0.01 -0.14 -0.11 -0.44 -2.27 0.00 0.00 179.45 176.50 3jrm h ASP 170 N -0.22 0.77 0.01 4.20 3.32 -1.85 0.21 116.42 122.86 3jrm h ASP 170 Ca 0.20 -0.37 0.03 0.00 0.02 0.00 0.00 57.03 56.91 3jrm h ASP 170 Cb 0.55 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.84 3jrm h ASP 170 CO -0.61 0.96 -0.29 0.00 -1.72 0.00 0.00 179.24 177.59 3jrm h ALA 171 N 0.83 -0.41 -0.44 3.45 0.00 -1.86 -1.21 119.26 119.62 3jrm h ALA 171 Ca 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3jrm h ALA 171 Cb 0.64 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3jrm h ALA 171 CO 0.04 -0.80 0.09 0.28 0.00 0.00 0.00 179.25 178.87 3jrm h VAL 172 N -0.44 1.20 -0.09 0.00 2.07 -0.88 -1.82 116.25 116.29 3jrm h VAL 172 Ca 0.06 -0.74 -0.13 0.00 0.82 0.00 0.00 66.70 66.71 3jrm h VAL 172 Cb 0.52 0.77 0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3jrm h VAL 172 CO -0.24 0.27 -0.43 0.58 0.02 0.00 0.00 177.57 177.77 3jrm h VAL 173 N 0.65 1.39 -0.37 2.57 2.07 -0.40 -2.05 116.25 120.10 3jrm h VAL 173 Ca 0.15 -1.78 -0.12 0.00 0.82 0.00 0.00 66.70 65.76 3jrm h VAL 173 Cb 0.27 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 3jrm h VAL 173 CO 0.00 0.53 -0.26 0.77 0.02 0.00 0.00 177.57 178.63 3jrm h SER 174 N 0.02 0.79 -0.41 0.57 4.64 -1.15 0.22 113.55 118.22 3jrm h SER 174 Ca -0.03 -0.30 0.04 0.00 -0.47 0.00 0.00 61.79 61.04 3jrm h SER 174 Cb 1.08 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.91 3jrm h SER 174 CO 0.09 1.01 0.18 0.15 -0.87 0.00 0.00 176.83 177.39 3jrm h PHE 175 N 0.66 0.32 -0.08 4.77 3.04 -1.37 -1.58 116.94 122.70 3jrm h PHE 175 Ca 0.09 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 61.93 3jrm h PHE 175 Cb 0.78 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.19 3jrm h PHE 175 CO 0.04 0.15 -0.51 -0.07 -2.02 0.00 0.00 178.31 175.90 3jrm h LEU 176 N 0.36 0.25 -1.28 0.59 3.38 -0.92 0.41 115.31 118.10 3jrm h LEU 176 Ca 0.19 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.06 3jrm h LEU 176 Cb 0.14 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3jrm h LEU 176 CO -0.16 0.72 0.50 -0.08 0.09 0.00 0.00 178.44 179.51 3jrm h GLU 177 N 0.18 0.92 0.27 1.13 4.81 -0.04 0.01 114.58 121.87 3jrm h GLU 177 Ca 0.01 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3jrm h GLU 177 Cb 0.96 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.14 3jrm h GLU 177 CO 0.08 0.61 -0.13 0.00 -0.73 0.00 0.00 179.01 178.84 3jrm h ARG 178 N 0.95 -0.35 0.00 1.92 3.08 -0.82 -3.41 114.38 115.75 3jrm h ARG 178 Ca 0.30 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.37 3jrm h ARG 178 Cb 0.01 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3jrm h ARG 178 CO -0.08 -0.23 -0.64 0.39 -1.07 0.00 0.00 179.97 178.33 3jrm n GLU 179 N -5.01 0.15 -2.38 0.04 -0.58 0.09 -4.96 120.64 107.99 3jrm n GLU 179 Ca -0.05 0.03 -0.41 0.00 -0.42 0.00 0.00 57.16 56.31 3jrm n GLU 179 Cb 0.14 -1.58 -0.04 0.00 -0.57 0.00 0.00 31.44 29.40 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 -3.09 3.44 0.01 -0.32 5.04 -0.02 -5.04 117.35 117.37 3jrm s TYR 180 Ca 0.08 1.49 0.04 0.00 -2.44 0.00 0.00 57.07 56.25 3jrm s TYR 180 Cb 0.15 -3.41 -0.01 0.00 0.35 0.00 0.00 41.96 39.04 3jrm s TYR 180 CO 0.73 -1.08 -0.13 0.15 -1.34 0.00 0.00 175.55 173.87 3jrm s LYS 181 N -0.64 1.01 0.55 4.97 1.02 -1.26 -5.01 119.74 120.39 3jrm s LYS 181 Ca 0.50 -0.56 -0.19 0.00 0.02 0.00 0.00 55.97 55.74 3jrm s LYS 181 Cb -0.33 -0.99 -0.05 0.00 -0.52 0.00 0.00 37.83 35.94 3jrm s LYS 181 CO 0.39 0.26 1.10 -1.21 -0.92 0.00 0.00 175.35 174.97 3jrm s GLU 182 N -0.59 3.36 -1.35 1.68 2.02 -1.26 -4.07 118.70 118.48 3jrm s GLU 182 Ca 0.04 1.49 0.00 0.00 0.02 0.00 0.00 54.97 56.52 3jrm s GLU 182 Cb -0.06 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.15 3jrm s GLU 182 CO 0.00 -0.82 0.00 0.09 0.02 0.00 0.00 175.26 174.55 3jrm n ASN 183 N -1.46 -4.50 -4.69 -0.19 3.02 -1.26 -4.92 115.26 101.26 3jrm n ASN 183 Ca 0.11 0.22 -0.36 0.00 -0.03 0.00 0.00 54.58 54.52 3jrm n ASN 183 Cb 0.52 -3.35 0.08 0.00 -0.61 0.00 0.00 39.78 36.42 3jrm n ASN 183 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3jrm n LEU 184 N -1.68 5.10 -4.75 3.41 4.77 -1.26 -3.99 117.00 118.61 3jrm n LEU 184 Ca -0.14 0.76 -0.31 0.00 -0.03 0.00 0.00 56.01 56.29 3jrm n LEU 184 Cb 0.50 -1.50 0.11 0.00 -2.33 0.00 0.00 43.42 40.20 3jrm n LEU 184 CO 0.20 -1.38 0.70 -2.84 -1.33 0.00 0.00 177.39 172.73 3jrm s PRO 185 N -3.39 1.99 0.14 3.23 0.02 -1.26 -0.77 135.00 134.95 3jrm s PRO 185 Ca 0.79 1.27 -0.19 0.00 0.02 0.00 0.00 61.00 62.90 3jrm s PRO 185 Cb -0.37 -1.86 0.02 0.00 0.02 0.00 0.00 34.50 32.31 3jrm s PRO 185 CO 0.44 -1.86 1.70 1.49 -0.33 0.00 0.00 177.00 178.44 3jrm h GLU 186 N -1.25 0.04 -0.67 5.54 4.81 -1.94 -1.32 114.58 119.79 3jrm h GLU 186 Ca -0.44 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.78 3jrm h GLU 186 Cb 1.24 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 3jrm h GLU 186 CO 0.49 0.03 0.39 0.87 -0.73 0.00 0.00 179.01 180.05 3jrm h LYS 187 N 0.04 0.91 -0.35 1.92 1.57 -1.99 0.19 116.57 118.86 3jrm h LYS 187 Ca 0.13 -0.08 -0.15 0.00 -1.87 0.00 0.00 60.65 58.67 3jrm h LYS 187 Cb 0.18 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3jrm h LYS 187 CO -0.25 0.65 -0.39 0.93 -0.57 0.00 0.00 179.45 179.82 3jrm h GLU 188 N 0.92 0.85 -0.07 3.15 5.08 -1.79 -2.24 114.58 120.48 3jrm h GLU 188 Ca 0.24 -0.45 0.03 0.00 -1.00 0.00 0.00 59.36 58.18 3jrm h GLU 188 Cb -0.01 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3jrm h GLU 188 CO -0.04 1.09 -0.10 0.00 -1.00 0.00 0.00 179.01 178.95 3jrm h ALA 189 N 0.85 -0.05 -0.96 3.43 0.00 -0.44 0.26 119.26 122.35 3jrm h ALA 189 Ca 0.06 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3jrm h ALA 189 Cb 0.97 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 3jrm h ALA 189 CO 0.09 -0.57 0.63 0.28 0.00 0.00 0.00 179.25 179.68 3jrm h VAL 190 N -0.14 1.18 -0.13 0.00 2.07 -0.97 -0.87 116.25 117.38 3jrm h VAL 190 Ca 0.06 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 3jrm h VAL 190 Cb 0.23 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 3jrm h VAL 190 CO -0.16 0.22 0.03 0.74 0.02 0.00 0.00 177.57 178.42 3jrm h THR 191 N 1.22 1.21 -0.84 2.57 2.02 -0.95 0.23 112.91 118.37 3jrm h THR 191 Ca 0.38 -0.65 0.11 0.00 0.77 0.00 0.00 66.41 67.02 3jrm h THR 191 Cb -0.02 1.38 -0.08 0.00 -1.74 0.00 0.00 68.15 67.69 3jrm h THR 191 CO -0.12 0.19 0.47 0.25 0.37 0.00 0.00 175.52 176.68 3jrm h LEU 192 N 0.01 0.64 -0.15 2.58 5.85 -0.65 0.34 115.31 123.93 3jrm h LEU 192 Ca 0.04 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3jrm h LEU 192 Cb 0.27 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3jrm h LEU 192 CO 0.00 0.34 0.04 1.23 -0.34 0.00 0.00 178.44 179.71 3jrm h GLY 193 N 0.75 0.25 1.03 3.75 0.00 -0.68 -0.66 103.07 107.51 3jrm h GLY 193 Ca 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 3jrm h GLY 193 CO -0.28 0.14 0.56 -2.22 0.00 0.00 0.00 176.54 174.74 3jrm h ILE 194 N 0.05 1.26 0.00 2.60 1.08 -0.33 -0.37 117.51 121.80 3jrm h ILE 194 Ca 0.05 -0.58 0.02 0.00 -0.39 0.00 0.00 64.86 63.96 3jrm h ILE 194 Cb 0.24 -0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 33.91 3jrm h ILE 194 CO -0.00 0.28 -0.09 0.11 -0.69 0.00 0.00 178.15 177.75 3jrm h LYS 195 N 1.30 -0.16 -0.65 2.37 1.57 -0.70 -1.25 116.57 119.05 3jrm h LYS 195 Ca 0.34 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.13 3jrm h LYS 195 Cb -0.04 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 3jrm h LYS 195 CO -0.06 -0.10 0.43 0.00 -0.57 0.00 0.00 179.45 179.14 3jrm h ALA 196 N 0.81 0.82 -0.13 3.86 0.00 -0.43 0.73 119.26 124.93 3jrm h ALA 196 Ca 0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3jrm h ALA 196 Cb 0.21 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3jrm h ALA 196 CO -0.09 0.25 0.07 1.25 0.00 0.00 0.00 179.25 180.72 3jrm h LEU 197 N 0.88 0.16 -0.79 0.00 5.85 -0.95 -2.31 115.31 118.14 3jrm h LEU 197 Ca 0.24 -0.09 0.11 0.00 0.84 0.00 0.00 57.88 58.98 3jrm h LEU 197 Cb -0.10 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 40.82 3jrm h LEU 197 CO -0.05 0.20 0.42 0.11 -0.34 0.00 0.00 178.44 178.78 3jrm h LYS 198 N 0.11 0.67 0.00 1.25 1.57 -0.55 -1.18 116.57 118.44 3jrm h LYS 198 Ca 0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3jrm h LYS 198 Cb 0.08 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3jrm h LYS 198 CO -0.01 0.44 0.00 -1.13 -0.57 0.00 0.00 179.45 178.19 3jrm n SER 199 N -4.81 0.00 -0.00 0.86 3.41 0.19 -1.32 113.62 111.95 3jrm n SER 199 Ca 0.13 0.44 0.10 0.00 -0.26 0.00 0.00 58.87 59.28 3jrm n SER 199 Cb 0.31 -0.44 -0.12 0.00 -0.26 0.00 0.00 64.21 63.70 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 0.94 -4.81 4.04 3.41 -0.45 -4.87 113.62 110.44 3jrm n SER 200 Ca 0.00 -0.96 -0.33 0.00 -0.26 0.00 0.00 58.87 57.32 3jrm n SER 200 Cb 0.00 1.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.93 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 -2.98 3.80 0.01 1.04 1.43 -0.43 -4.89 118.68 116.65 3jrm s LEU 201 Ca 0.07 1.77 -0.31 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 0.83 -0.65 1.97 -0.62 0.23 0.00 0.00 176.35 178.11 3jrm n GLU 202 N -1.09 2.74 -1.13 1.70 -0.58 -1.26 -4.97 120.64 116.05 3jrm n GLU 202 Ca 0.08 1.00 -0.34 0.00 -0.42 0.00 0.00 57.16 57.49 3jrm n GLU 202 Cb 0.53 -2.96 0.13 0.00 -0.57 0.00 0.00 31.44 28.57 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 1.65 -1.11 3.49 4.04 -1.26 -1.99 118.70 127.99 3jrm s GLU 203 Ca 0.90 1.78 -0.05 0.00 0.04 0.00 0.00 54.97 57.64 3jrm s GLU 203 Cb -0.47 -1.78 0.01 0.00 0.02 0.00 0.00 34.13 31.91 3jrm s GLU 203 CO 0.44 -2.21 0.96 0.41 -1.84 0.00 0.00 175.26 173.02 3jrm n GLY 204 N 0.52 -0.30 3.19 -3.83 0.00 -1.26 -5.04 105.19 98.46 3jrm n GLY 204 Ca 0.14 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 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 -5.81 0.27 0.01 1.61 2.12 -0.84 -5.15 118.70 110.91 3jrm s GLU 205 Ca 0.34 0.95 -0.18 0.00 0.36 0.00 0.00 54.97 56.44 3jrm s GLU 205 Cb -0.15 0.22 -0.06 0.00 0.26 0.00 0.00 34.13 34.40 3jrm s GLU 205 CO 0.62 -0.27 0.50 -2.00 -0.54 0.00 0.00 175.26 173.57 3jrm s GLU 206 N 2.56 4.14 -0.26 4.30 2.12 -1.26 -4.83 118.70 125.46 3jrm s GLU 206 Ca -0.01 0.57 -0.29 0.00 0.36 0.00 0.00 54.97 55.61 3jrm s GLU 206 Cb -0.12 -3.28 -0.00 0.00 0.26 0.00 0.00 34.13 30.99 3jrm s GLU 206 CO -0.12 0.54 1.29 -1.17 -0.54 0.00 0.00 175.26 175.26 3jrm s LEU 207 N -0.69 3.97 0.91 2.70 2.96 -1.26 -5.04 118.68 122.23 3jrm s LEU 207 Ca 0.27 1.35 -0.15 0.00 -0.22 0.00 0.00 54.13 55.38 3jrm s LEU 207 Cb -0.18 -3.54 0.16 0.00 0.50 0.00 0.00 46.19 43.14 3jrm s LEU 207 CO 0.15 -0.99 1.27 -0.54 -1.32 0.00 0.00 176.35 174.93 3jrm s LYS 208 N 3.97 1.06 -0.17 1.98 1.02 -1.26 -4.94 119.74 121.39 3jrm s LYS 208 Ca 0.56 -0.27 -0.30 0.00 0.02 0.00 0.00 55.97 55.98 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 0.20 -2.15 2.13 0.00 -0.92 0.00 0.00 175.35 174.62 3jrm n ALA 209 N -3.61 1.55 -1.93 5.17 0.00 -1.26 -4.94 120.51 115.49 3jrm n ALA 209 Ca 0.13 -0.07 -0.27 0.00 0.00 0.00 0.00 53.44 53.23 3jrm n ALA 209 Cb 0.60 -2.78 0.11 0.00 0.00 0.00 0.00 19.45 17.38 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 5.71 1.66 0.05 0.00 0.04 -1.26 -4.72 135.00 136.49 3jrm s PRO 210 Ca 0.99 -0.36 -0.17 0.00 0.04 0.00 0.00 61.00 61.50 3jrm s PRO 210 Cb -0.47 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 31.94 3jrm s PRO 210 CO 0.40 -1.65 0.50 -1.21 0.04 0.00 0.00 177.00 175.09 3jrm s GLU 211 N -5.46 4.07 -0.03 4.56 2.02 -0.43 -4.93 118.70 118.50 3jrm s GLU 211 Ca 0.65 0.59 0.01 0.00 0.02 0.00 0.00 54.97 56.23 3jrm s GLU 211 Cb -0.08 -3.21 0.02 0.00 0.10 0.00 0.00 34.13 30.96 3jrm s GLU 211 CO 0.48 0.65 -0.01 0.42 0.02 0.00 0.00 175.26 176.81 3jrm s ILE 212 N -1.13 0.22 0.00 -1.63 1.01 -1.26 -1.20 121.20 117.21 3jrm s ILE 212 Ca 0.28 0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.97 3jrm s ILE 212 Cb -0.18 -0.28 -0.01 0.00 0.01 0.00 0.00 42.46 42.00 3jrm s ILE 212 CO 0.17 0.14 -0.06 0.00 0.00 0.00 0.00 174.94 175.18 3jrm s ALA 213 N 0.80 0.51 0.04 9.38 0.00 -0.60 -0.76 121.76 131.14 3jrm s ALA 213 Ca -0.08 -0.34 -0.01 0.00 0.00 0.00 0.00 51.96 51.52 3jrm s ALA 213 Cb -0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 3jrm s ALA 213 CO -0.01 0.10 -0.02 -1.54 0.00 0.00 0.00 175.76 174.29 3jrm s SER 214 N -0.38 0.43 -0.13 0.00 1.04 -0.60 -0.81 113.70 113.25 3jrm s SER 214 Ca 0.00 -0.88 -0.10 0.00 0.48 0.00 0.00 55.95 55.45 3jrm s SER 214 Cb -0.04 0.18 0.04 0.00 0.10 0.00 0.00 66.02 66.31 3jrm s SER 214 CO -0.00 -0.54 0.33 -0.51 0.98 0.00 0.00 173.24 173.50 3jrm s ILE 215 N -3.40 -0.01 0.15 -1.02 2.07 -0.85 -1.05 121.20 117.08 3jrm s ILE 215 Ca 0.02 0.03 0.10 0.00 -1.41 0.00 0.00 60.65 59.40 3jrm s ILE 215 Cb 0.04 -0.47 -0.04 0.00 0.13 0.00 0.00 42.46 42.12 3jrm s ILE 215 CO -0.08 0.01 -0.24 0.42 -1.91 0.00 0.00 174.94 173.14 3jrm s THR 216 N 0.49 2.14 0.22 4.00 -4.23 -1.26 -1.93 115.64 115.07 3jrm s THR 216 Ca -0.03 -1.84 -0.30 0.00 -1.18 0.00 0.00 61.69 58.35 3jrm s THR 216 Cb -0.04 -1.95 -0.15 0.00 1.34 0.00 0.00 72.50 71.70 3jrm s THR 216 CO -0.03 -0.06 1.05 0.52 -0.54 0.00 0.00 174.62 175.56 3jrm n VAL 217 N 0.64 1.45 -1.09 2.29 0.31 0.48 -1.73 118.33 120.69 3jrm n VAL 217 Ca -0.16 -0.36 -0.03 0.00 -0.01 0.00 0.00 64.34 63.78 3jrm n VAL 217 Cb 0.55 -0.84 -0.01 0.00 -0.91 0.00 0.00 33.84 32.62 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 1.67 0.62 3.28 2.92 0.00 -1.26 -5.02 105.19 107.39 3jrm n GLY 218 Ca 0.13 -0.53 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 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 0.92 0.49 1.61 0.01 -0.71 -5.16 114.94 109.51 3jrm s ASN 219 Ca 0.00 -1.43 -0.00 0.00 -0.71 0.00 0.00 52.86 50.72 3jrm s ASN 219 Cb 0.00 0.29 0.01 0.00 0.41 0.00 0.00 41.25 41.95 3jrm s ASN 219 CO 0.00 -0.80 0.72 -0.54 -1.51 0.00 0.00 177.10 174.97 3jrm s LYS 220 N -4.02 2.92 0.54 -0.60 1.02 -1.26 -4.69 119.74 113.65 3jrm s LYS 220 Ca 0.38 -0.51 -0.22 0.00 0.02 0.00 0.00 55.97 55.65 3jrm s LYS 220 Cb 0.07 -2.51 -0.05 0.00 -0.52 0.00 0.00 37.83 34.82 3jrm s LYS 220 CO 0.14 -0.42 1.32 0.71 -0.92 0.00 0.00 175.35 176.18 3jrm s TYR 221 N -2.65 2.36 -0.02 3.18 1.51 -0.65 -4.63 117.35 116.45 3jrm s TYR 221 Ca 0.51 1.41 0.05 0.00 -1.01 0.00 0.00 57.07 58.03 3jrm s TYR 221 Cb -0.10 -3.72 -0.01 0.00 -0.11 0.00 0.00 41.96 38.02 3jrm s TYR 221 CO 0.39 -2.66 -0.16 -0.98 -1.11 0.00 0.00 175.55 171.02 3jrm s ARG 222 N -2.93 1.47 -0.23 -0.62 1.70 -0.22 -5.00 118.95 113.13 3jrm s ARG 222 Ca 0.71 -0.59 -0.15 0.00 -0.47 0.00 0.00 55.73 55.24 3jrm s ARG 222 Cb -0.38 -1.37 -0.04 0.00 -0.57 0.00 0.00 34.95 32.59 3jrm s ARG 222 CO 0.45 0.31 0.35 0.42 -1.08 0.00 0.00 175.30 175.74 3jrm s ILE 223 N -0.22 5.22 0.29 4.99 -1.09 -1.26 -1.56 121.20 127.57 3jrm s ILE 223 Ca 0.03 0.57 -0.29 0.00 -2.23 0.00 0.00 60.65 58.72 3jrm s ILE 223 Cb -0.08 -3.68 -0.10 0.00 -1.58 0.00 0.00 42.46 37.02 3jrm s ILE 223 CO 0.00 0.24 1.40 -0.31 -1.23 0.00 0.00 174.94 175.04 3jrm s TYR 224 N 1.50 2.97 0.51 3.97 1.51 0.06 -5.01 117.35 122.86 3jrm s TYR 224 Ca 0.16 1.18 -0.06 0.00 -1.01 0.00 0.00 57.07 57.33 3jrm s TYR 224 Cb -0.15 -3.80 -0.03 0.00 -0.11 0.00 0.00 41.96 37.87 3jrm s TYR 224 CO 0.08 -2.44 0.84 0.16 -1.11 0.00 0.00 175.55 173.07 3jrm s ASP 225 N 0.00 6.22 0.28 2.29 -4.77 -1.26 -4.63 116.67 114.80 3jrm s ASP 225 Ca 0.55 1.00 -0.02 0.00 -3.30 0.00 0.00 52.55 50.78 3jrm s ASP 225 Cb -0.42 -2.25 0.61 0.00 -1.09 0.00 0.00 42.92 39.76 3jrm s ASP 225 CO 0.49 -0.66 1.60 1.56 0.70 0.00 0.00 175.17 178.86 3jrm h GLN 226 N 0.10 0.05 -0.20 2.11 7.50 -1.95 -1.33 115.11 121.40 3jrm h GLN 226 Ca -0.46 -0.00 -0.12 0.00 0.50 0.00 0.00 58.65 58.56 3jrm h GLN 226 Cb 1.21 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.71 3jrm h GLN 226 CO 0.62 0.03 -0.39 0.93 -1.50 0.00 0.00 178.83 178.52 3jrm h GLU 227 N 0.05 0.45 -0.36 1.46 5.08 -2.00 -1.03 114.58 118.24 3jrm h GLU 227 Ca 0.52 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.62 3jrm h GLU 227 Cb 0.99 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 3jrm h GLU 227 CO -0.83 0.77 0.05 1.49 -1.00 0.00 0.00 179.01 179.50 3jrm h GLU 228 N 0.38 0.54 -0.30 2.33 4.81 -1.64 -3.13 114.58 117.57 3jrm h GLU 228 Ca 0.04 -0.10 -0.15 0.00 -0.13 0.00 0.00 59.36 59.02 3jrm h GLU 228 Cb 0.85 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 3jrm h GLU 228 CO 0.07 0.53 -0.39 0.28 -0.73 0.00 0.00 179.01 178.77 3jrm h VAL 229 N 0.53 1.29 -0.84 0.32 2.07 -0.89 -3.26 116.25 115.47 3jrm h VAL 229 Ca 0.12 -1.58 0.04 0.00 0.82 0.00 0.00 66.70 66.10 3jrm h VAL 229 Cb 0.27 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 3jrm h VAL 229 CO 0.00 0.51 0.55 0.11 0.02 0.00 0.00 177.57 178.77 3jrm h LYS 230 N 0.56 1.00 0.00 1.57 1.57 -1.17 -1.23 116.57 118.88 3jrm h LYS 230 Ca 0.04 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3jrm h LYS 230 Cb 0.99 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.07 3jrm h LYS 230 CO 0.09 0.66 0.18 1.63 -0.57 0.00 0.00 179.45 181.44 3jrm n LYS 231 N -4.45 0.00 0.00 3.15 5.02 -1.21 -0.14 118.16 120.52 3jrm n LYS 231 Ca 0.11 0.25 0.04 0.00 -2.02 0.00 0.00 58.31 56.70 3jrm n LYS 231 Cb 0.12 -1.68 -0.03 0.00 -0.02 0.00 0.00 35.03 33.43 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 -1.22 0.00 1.99 2.13 3.01 -0.46 -5.16 117.46 117.74 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 0.18 0.00 0.94 0.00 -0.01 0.00 0.00 39.48 40.59 3jrm n PHE 232 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05