#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgm n ASP 35 N 0.00 1.74 -3.91 1.61 5.75 -1.26 -4.45 116.55 116.03 1jgm n ASP 35 Ca 0.00 -1.58 -0.11 0.00 -0.01 0.00 0.00 54.79 53.09 1jgm n ASP 35 Cb 0.00 -0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 39.97 1jgm n ASP 35 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1jgm s ARG 36 N -2.00 0.18 -0.13 0.11 0.52 -1.26 -3.38 118.95 113.00 1jgm s ARG 36 Ca 0.36 -0.25 -0.02 0.00 -0.52 0.00 0.00 55.73 55.31 1jgm s ARG 36 Cb 0.21 0.07 -0.02 0.00 0.52 0.00 0.00 34.95 35.73 1jgm s ARG 36 CO 0.33 -0.03 -0.08 0.42 0.02 0.00 0.00 175.30 175.96 1jgm s ILE 37 N -0.68 3.56 0.07 1.52 1.01 -0.01 -4.48 121.20 122.19 1jgm s ILE 37 Ca -0.08 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 59.79 1jgm s ILE 37 Cb -0.05 -2.52 -0.05 0.00 0.01 0.00 0.00 42.46 39.85 1jgm s ILE 37 CO -0.00 0.52 1.02 0.20 0.00 0.00 0.00 174.94 176.68 1jgm s ASN 38 N 0.14 7.36 0.37 3.58 0.02 -1.26 -0.96 114.94 124.19 1jgm s ASN 38 Ca -0.03 1.81 0.04 0.00 -1.02 0.00 0.00 52.86 53.65 1jgm s ASN 38 Cb -0.14 -2.58 -0.06 0.00 0.02 0.00 0.00 41.25 38.49 1jgm s ASN 38 CO 0.04 -0.22 0.05 0.42 0.02 0.00 0.00 177.10 177.41 1jgm s THR 39 N 0.54 1.28 -0.76 1.60 -4.23 -0.14 -4.34 115.64 109.58 1jgm s THR 39 Ca 0.51 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.18 1jgm s THR 39 Cb -0.24 -2.74 0.15 0.00 1.34 0.00 0.00 72.50 71.01 1jgm s THR 39 CO 0.30 0.00 1.48 1.33 -0.54 0.00 0.00 174.62 177.19 1jgm n VAL 40 N -0.81 1.12 0.17 2.29 0.24 0.12 -1.05 118.33 120.40 1jgm n VAL 40 Ca -0.04 0.34 0.08 0.00 -2.04 0.00 0.00 64.34 62.67 1jgm n VAL 40 Cb 0.66 -1.21 0.14 0.00 -1.47 0.00 0.00 33.84 31.97 1jgm n VAL 40 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1jgm n ARG 41 N -1.80 2.05 0.00 7.34 1.74 -1.26 -4.74 116.66 120.00 1jgm n ARG 41 Ca 0.02 -1.88 0.00 0.00 -0.77 0.00 0.00 57.85 55.22 1jgm n ARG 41 Cb 0.15 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 1jgm n ARG 41 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jgm n GLY 42 N 0.90 -0.02 3.78 -0.13 0.00 -0.22 -5.06 105.19 104.43 1jgm n GLY 42 Ca 0.13 -2.28 -0.37 0.00 0.00 0.00 0.00 46.02 43.50 1jgm n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jgm s PRO 43 N -0.12 4.27 0.13 1.61 0.05 -1.26 -0.97 135.00 138.72 1jgm s PRO 43 Ca 0.00 1.58 0.07 0.00 0.05 0.00 0.00 61.00 62.69 1jgm s PRO 43 Cb 0.00 -2.69 -0.04 0.00 0.05 0.00 0.00 34.50 31.82 1jgm s PRO 43 CO 0.00 -0.06 -0.15 0.96 0.05 0.00 0.00 177.00 177.80 1jgm s ILE 44 N -1.54 1.48 0.73 0.56 -4.36 -0.13 -4.93 121.20 113.00 1jgm s ILE 44 Ca 0.55 -1.76 -0.11 0.00 -0.26 0.00 0.00 60.65 59.07 1jgm s ILE 44 Cb -0.24 -1.61 0.03 0.00 1.25 0.00 0.00 42.46 41.88 1jgm s ILE 44 CO 0.31 -0.37 1.08 0.42 0.24 0.00 0.00 174.94 176.62 1jgm s THR 45 N -2.05 3.59 0.31 8.37 -4.23 -1.26 -0.83 115.64 119.54 1jgm s THR 45 Ca 0.10 0.52 0.01 0.00 -1.18 0.00 0.00 61.69 61.14 1jgm s THR 45 Cb -0.05 -3.38 0.28 0.00 1.34 0.00 0.00 72.50 70.69 1jgm s THR 45 CO 0.04 -0.68 1.93 0.40 -0.54 0.00 0.00 174.62 175.77 1jgm h ILE 46 N -0.78 1.09 0.00 2.99 1.08 -1.91 -2.02 117.51 117.97 1jgm h ILE 46 Ca -0.45 -0.35 -0.05 0.00 -0.39 0.00 0.00 64.86 63.62 1jgm h ILE 46 Cb 1.24 -0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.97 1jgm h ILE 46 CO 0.61 0.19 -0.22 0.77 -0.69 0.00 0.00 178.15 178.80 1jgm h SER 47 N 1.02 0.00 0.88 1.72 4.64 -1.91 -2.66 113.55 117.23 1jgm h SER 47 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1jgm h SER 47 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1jgm h SER 47 CO -0.12 0.22 0.00 -0.62 -0.87 0.00 0.00 176.83 175.44 1jgm n GLU 48 N -3.67 0.15 -0.23 4.77 1.02 -0.76 -3.27 120.64 118.65 1jgm n GLU 48 Ca -0.01 0.29 -0.09 0.00 -0.02 0.00 0.00 57.16 57.33 1jgm n GLU 48 Cb 0.34 -1.74 0.03 0.00 -0.02 0.00 0.00 31.44 30.05 1jgm n GLU 48 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jgm h ALA 49 N 2.45 0.86 -0.68 0.62 0.00 -1.52 -3.47 119.26 117.52 1jgm h ALA 49 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1jgm h ALA 49 Cb 0.44 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1jgm h ALA 49 CO 0.00 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.33 1jgm n GLY 50 N -0.49 0.96 3.63 0.00 0.00 -1.20 -3.63 105.19 104.46 1jgm n GLY 50 Ca 0.04 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 1jgm n GLY 50 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jgm s PHE 51 N 0.00 1.30 -0.04 1.61 2.19 -1.26 -4.56 117.98 117.22 1jgm s PHE 51 Ca 0.00 0.04 0.06 0.00 0.33 0.00 0.00 56.93 57.36 1jgm s PHE 51 Cb 0.00 -4.09 -0.01 0.00 -1.31 0.00 0.00 43.02 37.61 1jgm s PHE 51 CO 0.00 -4.73 -0.23 0.99 1.83 0.00 0.00 175.22 173.07 1jgm s THR 52 N 6.12 1.89 -0.32 0.12 2.01 -0.52 -1.00 115.64 123.94 1jgm s THR 52 Ca 0.92 -0.99 -0.15 0.00 0.31 0.00 0.00 61.69 61.78 1jgm s THR 52 Cb -0.37 -1.59 -0.02 0.00 0.01 0.00 0.00 72.50 70.53 1jgm s THR 52 CO 0.38 0.53 0.36 -0.76 -0.69 0.00 0.00 174.62 174.44 1jgm s LEU 53 N -0.27 4.31 0.00 4.42 1.43 -0.29 -4.89 118.68 123.39 1jgm s LEU 53 Ca 0.01 -0.08 0.28 0.00 -1.03 0.00 0.00 54.13 53.31 1jgm s LEU 53 Cb -0.12 -2.36 1.05 0.00 0.03 0.00 0.00 46.19 44.79 1jgm s LEU 53 CO 0.02 -0.29 1.75 0.35 0.23 0.00 0.00 176.35 178.40 1jgm n THR 54 N 5.21 0.00 -3.39 5.49 -2.24 -1.25 -0.66 114.28 117.44 1jgm n THR 54 Ca -0.09 -0.12 -0.17 0.00 -2.27 0.00 0.00 64.05 61.40 1jgm n THR 54 Cb 0.50 0.18 -0.09 0.00 -2.10 0.00 0.00 70.33 68.82 1jgm n THR 54 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1jgm s HIS 55 N -2.37 -0.37 0.31 4.78 5.65 -1.26 -4.66 115.29 117.37 1jgm s HIS 55 Ca 0.30 -0.45 0.02 0.00 0.25 0.00 0.00 55.06 55.17 1jgm s HIS 55 Cb 0.20 -0.45 -0.01 0.00 -1.18 0.00 0.00 32.58 31.14 1jgm s HIS 55 CO 0.46 -0.94 0.37 0.39 -0.65 0.00 0.00 174.74 174.37 1jgm n GLU 56 N 4.88 0.53 -3.68 2.88 -0.58 -0.46 -1.64 120.64 122.57 1jgm n GLU 56 Ca 0.03 -2.68 -0.15 0.00 -0.42 0.00 0.00 57.16 53.95 1jgm n GLU 56 Cb 0.46 2.42 -0.08 0.00 -0.57 0.00 0.00 31.44 33.67 1jgm n GLU 56 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1jgm s HIS 57 N -3.16 -0.41 -0.05 -0.32 3.76 -0.36 -1.45 115.29 113.30 1jgm s HIS 57 Ca 0.30 0.79 -0.19 0.00 -0.15 0.00 0.00 55.06 55.81 1jgm s HIS 57 Cb 0.00 0.20 -0.31 0.00 1.11 0.00 0.00 32.58 33.58 1jgm s HIS 57 CO 0.21 -0.41 0.83 0.82 -0.85 0.00 0.00 174.74 175.34 1jgm h ILE 58 N 3.78 1.36 -2.79 0.60 1.08 -1.95 -3.31 117.51 116.29 1jgm h ILE 58 Ca -0.28 -2.53 -0.14 0.00 -0.39 0.00 0.00 64.86 61.52 1jgm h ILE 58 Cb 1.17 3.06 -0.27 0.00 -3.07 0.00 0.00 36.82 37.71 1jgm h ILE 58 CO 0.34 0.73 -0.34 0.00 -0.69 0.00 0.00 178.15 178.19 1jgm s GLY 60 N 1.07 1.98 0.00 0.00 0.00 -0.22 -4.78 107.32 105.38 1jgm s GLY 60 Ca -0.07 -2.01 0.00 0.00 0.00 0.00 0.00 44.72 42.64 1jgm s GLY 60 CO -0.09 1.15 0.00 -1.26 0.00 0.00 0.00 173.10 172.90 1jgm n SER 61 N 5.42 0.32 -3.99 1.64 2.88 0.27 -0.16 113.62 120.01 1jgm n SER 61 Ca -0.11 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.34 1jgm n SER 61 Cb 0.44 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.80 1jgm n SER 61 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1jgm s SER 62 N 1.07 0.28 0.15 -3.46 0.01 -1.22 -3.82 113.70 106.70 1jgm s SER 62 Ca 0.00 -0.61 -0.34 0.00 1.31 0.00 0.00 55.95 56.30 1jgm s SER 62 Cb 0.00 0.16 -0.15 0.00 0.21 0.00 0.00 66.02 66.24 1jgm s SER 62 CO 0.00 -0.42 1.46 0.00 0.41 0.00 0.00 173.24 174.69 1jgm n ALA 63 N 1.04 0.47 -0.41 1.44 0.00 -1.24 -1.33 120.51 120.49 1jgm n ALA 63 Ca -0.20 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1jgm n ALA 63 Cb 0.57 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1jgm n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jgm n GLY 64 N 2.92 0.82 0.05 0.00 0.00 -1.26 -4.90 105.19 102.82 1jgm n GLY 64 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 1jgm n GLY 64 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jgm h PHE 65 N 0.00 0.03 -0.84 1.61 3.04 -1.56 -1.57 116.94 117.65 1jgm h PHE 65 Ca 0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1jgm h PHE 65 Cb 0.00 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.46 1jgm h PHE 65 CO 0.00 0.08 0.53 1.25 -2.02 0.00 0.00 178.31 178.15 1jgm h LEU 66 N -0.02 0.98 -0.33 0.59 5.85 -1.87 0.27 115.31 120.79 1jgm h LEU 66 Ca 0.01 -0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.51 1jgm h LEU 66 Cb 0.05 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1jgm h LEU 66 CO -0.00 0.73 -0.84 0.03 -0.34 0.00 0.00 178.44 178.02 1jgm h ARG 67 N 1.15 0.03 0.00 1.25 2.47 -1.92 -2.60 114.38 114.75 1jgm h ARG 67 Ca 0.30 -0.03 -0.20 0.00 -1.26 0.00 0.00 59.98 58.80 1jgm h ARG 67 Cb -0.09 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.21 1jgm h ARG 67 CO -0.06 0.85 -1.16 0.00 0.56 0.00 0.00 179.97 180.16 1jgm h ALA 68 N 1.14 0.60 -1.43 0.04 0.00 -0.78 -3.41 119.26 115.41 1jgm h ALA 68 Ca -0.01 -0.93 -0.41 0.00 0.00 0.00 0.00 54.91 53.56 1jgm h ALA 68 Cb 1.48 0.12 -0.34 0.00 0.00 0.00 0.00 17.79 19.05 1jgm h ALA 68 CO 0.11 1.11 -1.01 1.87 0.00 0.00 0.00 179.25 181.34 1jgm n TRP 69 N -3.14 -0.52 0.22 0.00 -0.00 0.90 -4.95 117.44 109.95 1jgm n TRP 69 Ca -0.06 -3.33 0.16 0.00 -0.00 0.00 0.00 57.50 54.27 1jgm n TRP 69 Cb 0.90 0.10 0.81 0.00 -0.00 0.00 0.00 31.31 33.12 1jgm n TRP 69 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 1jgm h PRO 70 N 2.98 0.00 0.00 5.87 0.13 -1.63 -0.80 132.00 138.55 1jgm h PRO 70 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1jgm h PRO 70 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1jgm h PRO 70 CO 0.40 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.56 1jgm n GLU 71 N -3.98 0.09 0.24 0.86 4.71 -1.26 -1.06 120.64 120.24 1jgm n GLU 71 Ca 0.01 0.42 0.08 0.00 -0.01 0.00 0.00 57.16 57.66 1jgm n GLU 71 Cb 0.26 -1.70 0.61 0.00 -1.01 0.00 0.00 31.44 29.59 1jgm n GLU 71 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1jgm h PHE 72 N 0.00 0.00 -0.53 -0.32 3.57 -1.54 -0.52 116.94 117.60 1jgm h PHE 72 Ca 0.00 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 1jgm h PHE 72 Cb 0.20 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.87 1jgm h PHE 72 CO 0.00 0.14 0.11 1.19 -2.23 0.00 0.00 178.31 177.53 1jgm n PHE 73 N -4.09 1.79 0.00 0.41 3.01 -0.22 -4.95 117.46 113.41 1jgm n PHE 73 Ca -0.02 -1.09 0.00 0.00 1.01 0.00 0.00 57.45 57.34 1jgm n PHE 73 Cb 0.22 -0.53 0.00 0.00 -0.01 0.00 0.00 39.48 39.16 1jgm n PHE 73 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jgm n GLY 74 N -0.28 1.97 3.60 1.37 0.00 -0.21 -4.30 105.19 107.34 1jgm n GLY 74 Ca 0.32 -0.41 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 1jgm n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jgm s SER 75 N 0.00 -0.23 0.21 1.61 1.04 -1.19 -4.30 113.70 110.84 1jgm s SER 75 Ca 0.00 -0.12 -0.09 0.00 0.48 0.00 0.00 55.95 56.23 1jgm s SER 75 Cb 0.00 0.33 0.15 0.00 0.10 0.00 0.00 66.02 66.60 1jgm s SER 75 CO 0.00 -0.57 1.78 -0.09 0.98 0.00 0.00 173.24 175.34 1jgm h ARG 76 N 2.00 1.13 -0.71 4.02 2.43 -1.87 -1.85 114.38 119.53 1jgm h ARG 76 Ca -0.21 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 58.75 1jgm h ARG 76 Cb 1.22 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.55 1jgm h ARG 76 CO 0.28 0.91 0.38 -0.22 -1.51 0.00 0.00 179.97 179.81 1jgm h LYS 77 N 1.10 1.00 -0.72 0.20 3.64 -1.95 -1.07 116.57 118.78 1jgm h LYS 77 Ca 0.26 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1jgm h LYS 77 Cb 0.19 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1jgm h LYS 77 CO -0.02 0.76 0.34 0.00 -2.27 0.00 0.00 179.45 178.26 1jgm h ALA 78 N 1.19 0.93 -0.27 5.00 0.00 -1.79 -0.34 119.26 123.98 1jgm h ALA 78 Ca 0.25 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1jgm h ALA 78 Cb 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1jgm h ALA 78 CO -0.04 0.50 0.08 1.25 0.00 0.00 0.00 179.25 181.04 1jgm h LEU 79 N 1.01 0.40 -0.56 0.00 5.85 -0.93 0.09 115.31 121.18 1jgm h LEU 79 Ca 0.25 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1jgm h LEU 79 Cb 0.12 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1jgm h LEU 79 CO -0.03 0.51 0.34 0.00 -0.34 0.00 0.00 178.44 178.91 1jgm h ALA 80 N 0.91 0.72 -0.79 1.25 0.00 -0.94 -0.19 119.26 120.22 1jgm h ALA 80 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1jgm h ALA 80 Cb 0.25 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1jgm h ALA 80 CO -0.00 0.05 0.38 0.93 0.00 0.00 0.00 179.25 180.61 1jgm h GLU 81 N 0.66 1.13 -0.46 0.00 5.08 -0.80 0.11 114.58 120.31 1jgm h GLU 81 Ca 0.23 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1jgm h GLU 81 Cb 0.03 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1jgm h GLU 81 CO -0.10 0.88 0.12 -0.22 -1.00 0.00 0.00 179.01 178.69 1jgm h LYS 82 N 1.11 0.73 -0.57 2.33 3.64 -0.48 -0.84 116.57 122.49 1jgm h LYS 82 Ca 0.27 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1jgm h LYS 82 Cb 0.12 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1jgm h LYS 82 CO -0.03 0.72 0.26 0.00 -2.27 0.00 0.00 179.45 178.13 1jgm h ALA 83 N 0.98 0.73 -0.66 5.00 0.00 -0.69 -1.07 119.26 123.55 1jgm h ALA 83 Ca 0.14 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1jgm h ALA 83 Cb 0.31 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1jgm h ALA 83 CO 0.00 0.30 0.09 0.28 0.00 0.00 0.00 179.25 179.92 1jgm h VAL 84 N 0.77 1.26 -0.20 0.00 2.07 -0.55 0.50 116.25 120.10 1jgm h VAL 84 Ca 0.19 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1jgm h VAL 84 Cb 0.13 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1jgm h VAL 84 CO -0.02 0.39 0.13 0.03 0.02 0.00 0.00 177.57 178.12 1jgm h ARG 85 N 1.02 0.26 -0.52 1.57 3.08 -0.79 -0.82 114.38 118.18 1jgm h ARG 85 Ca 0.20 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.18 1jgm h ARG 85 Cb 0.46 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1jgm h ARG 85 CO 0.02 0.17 0.14 0.78 -1.07 0.00 0.00 179.97 180.00 1jgm h GLY 86 N 0.26 0.89 1.24 0.04 0.00 -0.94 -1.75 103.07 102.80 1jgm h GLY 86 Ca 0.08 -0.55 -0.07 0.00 0.00 0.00 0.00 47.33 46.79 1jgm h GLY 86 CO -0.02 0.51 0.09 1.41 0.00 0.00 0.00 176.54 178.53 1jgm h LEU 87 N 0.72 0.89 -0.96 3.11 3.38 -0.79 -0.40 115.31 121.26 1jgm h LEU 87 Ca 0.16 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1jgm h LEU 87 Cb 0.32 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1jgm h LEU 87 CO -0.00 0.90 0.25 0.03 0.09 0.00 0.00 178.44 179.71 1jgm h ARG 88 N 0.89 1.00 -0.21 1.13 3.08 -0.94 0.14 114.38 119.46 1jgm h ARG 88 Ca 0.18 -0.18 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 1jgm h ARG 88 Cb 0.39 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1jgm h ARG 88 CO 0.01 0.83 -0.59 0.00 -1.07 0.00 0.00 179.97 179.15 1jgm h ARG 89 N 0.98 0.69 -0.55 0.04 3.08 -0.98 0.78 114.38 118.43 1jgm h ARG 89 Ca 0.23 -0.46 -0.11 0.00 0.07 0.00 0.00 59.98 59.71 1jgm h ARG 89 Cb 0.21 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1jgm h ARG 89 CO -0.02 1.08 -0.07 0.00 -1.07 0.00 0.00 179.97 179.89 1jgm h ALA 90 N 0.81 0.75 -0.65 0.04 0.00 -0.67 -2.30 119.26 117.23 1jgm h ALA 90 Ca -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1jgm h ALA 90 Cb 1.17 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1jgm h ALA 90 CO 0.12 0.64 0.33 -0.09 0.00 0.00 0.00 179.25 180.25 1jgm h ARG 91 N 0.90 0.93 -0.68 0.00 2.43 -0.58 -0.99 114.38 116.38 1jgm h ARG 91 Ca 0.15 -0.12 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1jgm h ARG 91 Cb 0.64 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 1jgm h ARG 91 CO 0.04 0.72 0.45 0.00 -1.51 0.00 0.00 179.97 179.68 1jgm h ALA 92 N 1.16 1.69 0.00 2.80 0.00 -0.54 0.03 119.26 124.40 1jgm h ALA 92 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1jgm h ALA 92 Cb 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1jgm h ALA 92 CO -0.03 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.43 1jgm n ALA 93 N -2.45 2.63 0.00 0.00 0.00 -0.60 -4.88 120.51 115.20 1jgm n ALA 93 Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1jgm n ALA 93 Cb 0.19 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1jgm n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jgm n GLY 94 N 0.87 0.67 3.70 0.00 0.00 -0.00 -4.84 105.19 105.59 1jgm n GLY 94 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1jgm n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jgm s VAL 95 N -2.00 3.92 -0.15 1.61 1.01 -0.48 -4.50 120.40 119.81 1jgm s VAL 95 Ca 0.00 1.31 0.13 0.00 0.00 0.00 0.00 61.98 63.43 1jgm s VAL 95 Cb 0.00 -3.84 -0.19 0.00 0.00 0.00 0.00 36.38 32.35 1jgm s VAL 95 CO 0.00 0.03 0.05 0.54 0.00 0.00 0.00 175.10 175.72 1jgm n ARG 96 N 4.88 1.53 -3.92 2.72 5.12 -0.17 -4.00 116.66 122.82 1jgm n ARG 96 Ca 0.11 -0.01 -0.10 0.00 -1.93 0.00 0.00 57.85 55.92 1jgm n ARG 96 Cb 0.45 -1.39 -0.11 0.00 -1.16 0.00 0.00 32.46 30.26 1jgm n ARG 96 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1jgm s THR 97 N -2.37 0.09 0.08 0.55 2.01 -0.97 -1.39 115.64 113.64 1jgm s THR 97 Ca -0.07 -0.77 0.05 0.00 0.31 0.00 0.00 61.69 61.21 1jgm s THR 97 Cb 0.04 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 72.19 1jgm s THR 97 CO 0.62 -0.42 -0.14 0.27 -0.69 0.00 0.00 174.62 174.26 1jgm s ILE 98 N -1.36 1.10 -0.31 1.82 -4.36 -0.05 -1.14 121.20 116.91 1jgm s ILE 98 Ca -0.15 -1.36 -0.06 0.00 -0.26 0.00 0.00 60.65 58.82 1jgm s ILE 98 Cb -0.08 -1.12 0.02 0.00 1.25 0.00 0.00 42.46 42.53 1jgm s ILE 98 CO 0.00 -0.27 0.08 -0.69 0.24 0.00 0.00 174.94 174.30 1jgm s VAL 99 N -1.45 3.80 -0.48 8.37 1.01 0.16 -1.38 120.40 130.44 1jgm s VAL 99 Ca -0.01 -0.88 -0.23 0.00 0.00 0.00 0.00 61.98 60.86 1jgm s VAL 99 Cb -0.09 -3.03 0.03 0.00 0.00 0.00 0.00 36.38 33.29 1jgm s VAL 99 CO 0.02 -0.00 0.79 -0.62 0.00 0.00 0.00 175.10 175.29 1jgm s ASP 100 N 1.45 6.37 -0.12 3.32 3.68 0.12 -1.36 116.67 130.13 1jgm s ASP 100 Ca 0.01 -0.26 0.04 0.00 2.13 0.00 0.00 52.55 54.46 1jgm s ASP 100 Cb -0.18 -2.38 0.28 0.00 -1.45 0.00 0.00 42.92 39.19 1jgm s ASP 100 CO 0.02 -0.97 1.13 1.33 0.13 0.00 0.00 175.17 176.81 1jgm n VAL 101 N 6.08 1.37 -2.49 1.11 0.24 -0.53 -3.08 118.33 121.04 1jgm n VAL 101 Ca 0.01 -0.61 -0.43 0.00 -2.04 0.00 0.00 64.34 61.28 1jgm n VAL 101 Cb 0.48 -0.58 -0.02 0.00 -1.47 0.00 0.00 33.84 32.24 1jgm n VAL 101 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1jgm s SER 102 N -0.11 7.04 0.71 -1.34 0.01 -1.26 -4.93 113.70 113.82 1jgm s SER 102 Ca 0.21 1.72 -0.01 0.00 1.31 0.00 0.00 55.95 59.18 1jgm s SER 102 Cb 0.17 -2.55 0.13 0.00 0.21 0.00 0.00 66.02 63.97 1jgm s SER 102 CO 0.05 -0.62 0.89 0.35 0.41 0.00 0.00 173.24 174.32 1jgm n THR 103 N 4.87 0.00 -0.21 1.44 -2.24 -1.26 -4.30 114.28 112.58 1jgm n THR 103 Ca 0.12 -1.38 0.01 0.00 -2.27 0.00 0.00 64.05 60.53 1jgm n THR 103 Cb 0.46 -0.97 0.10 0.00 -2.10 0.00 0.00 70.33 67.82 1jgm n THR 103 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1jgm h PHE 104 N -0.62 -0.09 0.00 4.78 3.57 -1.85 -1.04 116.94 121.70 1jgm h PHE 104 Ca -0.29 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.25 1jgm h PHE 104 Cb 1.08 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1jgm h PHE 104 CO 0.00 -0.19 0.00 -0.40 -2.23 0.00 0.00 178.31 175.49 1jgm n ASP 105 N -5.31 0.00 -0.72 0.41 3.85 -1.26 -1.17 116.55 112.35 1jgm n ASP 105 Ca 0.09 0.26 0.11 0.00 -0.71 0.00 0.00 54.79 54.54 1jgm n ASP 105 Cb 0.36 -0.41 0.32 0.00 -1.35 0.00 0.00 41.12 40.05 1jgm n ASP 105 CO 0.00 0.00 0.00 -0.38 -1.01 0.00 0.00 177.20 175.81 1jgm n ILE 106 N -1.41 0.29 -1.73 2.12 5.41 -0.44 -3.99 119.36 119.61 1jgm n ILE 106 Ca 0.08 -0.45 -0.08 0.00 1.00 0.00 0.00 62.75 63.30 1jgm n ILE 106 Cb 0.24 0.54 -0.02 0.00 -0.71 0.00 0.00 39.64 39.70 1jgm n ILE 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1jgm n GLY 107 N 1.23 0.48 3.60 7.39 0.00 -0.32 -0.56 105.19 117.01 1jgm n GLY 107 Ca 0.17 -0.61 -0.51 0.00 0.00 0.00 0.00 46.02 45.06 1jgm n GLY 107 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1jgm n ARG 108 N -2.22 1.32 -3.85 1.61 0.63 -0.93 -4.70 116.66 108.51 1jgm n ARG 108 Ca -0.09 0.48 -0.30 0.00 -0.92 0.00 0.00 57.85 57.02 1jgm n ARG 108 Cb 0.43 -2.14 -0.14 0.00 0.45 0.00 0.00 32.46 31.06 1jgm n ARG 108 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1jgm s ASP 109 N 0.60 4.10 0.47 6.15 -1.08 -1.26 -4.89 116.67 120.76 1jgm s ASP 109 Ca 0.84 -2.61 0.19 0.00 -0.52 0.00 0.00 52.55 50.45 1jgm s ASP 109 Cb -0.91 -1.34 1.19 0.00 -1.46 0.00 0.00 42.92 40.40 1jgm s ASP 109 CO 0.45 -0.28 1.97 0.58 0.52 0.00 0.00 175.17 178.41 1jgm h VAL 110 N 5.66 0.80 -0.74 1.11 2.07 -1.98 0.10 116.25 123.27 1jgm h VAL 110 Ca -0.05 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1jgm h VAL 110 Cb 0.94 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1jgm h VAL 110 CO 0.57 0.04 0.29 0.28 0.02 0.00 0.00 177.57 178.77 1jgm h SER 111 N 0.24 1.03 -0.41 0.57 0.02 -1.99 0.14 113.55 113.15 1jgm h SER 111 Ca 0.29 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1jgm h SER 111 Cb 0.82 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 1jgm h SER 111 CO -0.06 0.93 0.17 0.25 -1.14 0.00 0.00 176.83 176.98 1jgm h LEU 112 N 1.07 0.57 -0.41 5.07 5.85 -1.43 -0.90 115.31 125.12 1jgm h LEU 112 Ca 0.25 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.83 1jgm h LEU 112 Cb 0.23 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1jgm h LEU 112 CO -0.02 0.58 0.21 -0.07 -0.34 0.00 0.00 178.44 178.80 1jgm h LEU 113 N 0.53 0.30 -0.63 2.25 4.07 -0.89 -0.16 115.31 120.78 1jgm h LEU 113 Ca 0.14 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 58.09 1jgm h LEU 113 Cb 0.19 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 41.87 1jgm h LEU 113 CO -0.01 0.22 0.28 0.00 -1.08 0.00 0.00 178.44 177.85 1jgm h ALA 114 N 1.22 0.81 -0.18 1.53 0.00 -0.58 0.32 119.26 122.38 1jgm h ALA 114 Ca 0.18 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jgm h ALA 114 Cb 0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1jgm h ALA 114 CO -0.12 0.40 0.10 1.49 0.00 0.00 0.00 179.25 181.11 1jgm h GLU 115 N 0.87 0.25 -0.09 0.00 4.81 -0.58 -2.07 114.58 117.76 1jgm h GLU 115 Ca 0.21 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.29 1jgm h GLU 115 Cb 0.16 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1jgm h GLU 115 CO -0.02 0.24 -0.51 -0.39 -0.73 0.00 0.00 179.01 177.60 1jgm h VAL 116 N 0.19 1.35 -0.51 0.32 -1.51 -0.93 -1.10 116.25 114.05 1jgm h VAL 116 Ca 0.06 -1.75 -0.02 0.00 -1.23 0.00 0.00 66.70 63.76 1jgm h VAL 116 Cb 0.06 1.84 -0.02 0.00 -2.13 0.00 0.00 31.29 31.04 1jgm h VAL 116 CO -0.01 0.52 0.26 -1.28 -1.23 0.00 0.00 177.57 175.83 1jgm h SER 117 N 0.20 0.66 -0.29 4.19 0.87 -0.77 -0.81 113.55 117.61 1jgm h SER 117 Ca 0.01 -0.12 -0.06 0.00 -1.23 0.00 0.00 61.79 60.39 1jgm h SER 117 Cb 0.96 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 1jgm h SER 117 CO 0.08 0.60 -0.04 0.03 -0.53 0.00 0.00 176.83 176.96 1jgm h ARG 118 N 0.69 0.53 -0.38 2.24 3.08 -1.23 0.27 114.38 119.59 1jgm h ARG 118 Ca 0.18 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 1jgm h ARG 118 Cb 0.10 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1jgm h ARG 118 CO -0.02 0.72 -0.17 0.00 -1.07 0.00 0.00 179.97 179.42 1jgm h ALA 119 N 0.80 0.99 0.00 0.04 0.00 -1.09 -3.17 119.26 116.83 1jgm h ALA 119 Ca 0.08 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1jgm h ALA 119 Cb 0.50 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1jgm h ALA 119 CO 0.02 0.60 -1.07 0.00 0.00 0.00 0.00 179.25 178.80 1jgm n ALA 120 N -2.49 3.25 -3.10 0.00 0.00 -0.32 -5.00 120.51 112.86 1jgm n ALA 120 Ca 0.01 -0.39 -0.13 0.00 0.00 0.00 0.00 53.44 52.92 1jgm n ALA 120 Cb 0.39 -0.98 0.07 0.00 0.00 0.00 0.00 19.45 18.93 1jgm n ALA 120 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jgm n ASP 121 N -2.06 -3.15 -3.98 0.00 2.03 0.93 -4.70 116.55 105.62 1jgm n ASP 121 Ca 0.01 -0.53 -0.21 0.00 0.52 0.00 0.00 54.79 54.58 1jgm n ASP 121 Cb 0.46 -4.30 -0.16 0.00 -0.72 0.00 0.00 41.12 36.39 1jgm n ASP 121 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1jgm s VAL 122 N -3.30 0.80 0.33 5.18 1.01 -1.03 -5.04 120.40 118.35 1jgm s VAL 122 Ca 0.11 -0.33 -0.28 0.00 0.00 0.00 0.00 61.98 61.48 1jgm s VAL 122 Cb -0.01 -0.74 -0.09 0.00 0.00 0.00 0.00 36.38 35.54 1jgm s VAL 122 CO 0.60 0.26 1.16 -1.00 0.00 0.00 0.00 175.10 176.12 1jgm s HIS 123 N 0.44 3.29 -0.08 5.22 3.76 -0.49 -4.59 115.29 122.85 1jgm s HIS 123 Ca -0.07 1.59 0.00 0.00 -0.15 0.00 0.00 55.06 56.43 1jgm s HIS 123 Cb -0.11 -3.39 0.02 0.00 1.11 0.00 0.00 32.58 30.21 1jgm s HIS 123 CO 0.01 -1.07 -0.06 0.42 -0.85 0.00 0.00 174.74 173.19 1jgm s ILE 124 N -1.27 0.78 -0.19 0.60 1.01 -1.26 -0.87 121.20 120.01 1jgm s ILE 124 Ca 0.50 -0.20 -0.14 0.00 0.00 0.00 0.00 60.65 60.81 1jgm s ILE 124 Cb -0.33 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 1jgm s ILE 124 CO 0.42 0.30 0.29 -0.69 0.00 0.00 0.00 174.94 175.27 1jgm s VAL 125 N 1.31 5.29 0.40 2.92 1.01 -0.48 -0.70 120.40 130.15 1jgm s VAL 125 Ca -0.04 0.51 -0.01 0.00 0.00 0.00 0.00 61.98 62.44 1jgm s VAL 125 Cb -0.14 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 1jgm s VAL 125 CO -0.03 0.34 0.63 0.00 0.00 0.00 0.00 175.10 176.04 1jgm s ALA 126 N 0.86 3.62 0.25 5.51 0.00 -1.26 -0.70 121.76 130.03 1jgm s ALA 126 Ca 0.15 -0.82 0.11 0.00 0.00 0.00 0.00 51.96 51.41 1jgm s ALA 126 Cb -0.13 -2.25 -0.05 0.00 0.00 0.00 0.00 23.12 20.69 1jgm s ALA 126 CO 0.05 -0.16 -0.20 0.00 0.00 0.00 0.00 175.76 175.44 1jgm s ALA 127 N -2.47 2.62 0.00 0.00 0.00 -1.18 -0.57 121.76 120.16 1jgm s ALA 127 Ca 0.43 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.60 1jgm s ALA 127 Cb -0.10 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1jgm s ALA 127 CO 0.39 0.30 0.00 -2.37 0.00 0.00 0.00 175.76 174.08 1jgm n THR 128 N -0.37 0.00 0.00 0.00 5.66 -0.37 -4.68 114.28 114.53 1jgm n THR 128 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1jgm n THR 128 Cb 0.59 -0.08 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 1jgm n THR 128 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1jgm n GLY 129 N 5.00 -1.14 2.99 1.09 0.00 -1.26 -4.40 105.19 107.47 1jgm n GLY 129 Ca 0.00 -2.14 -0.13 0.00 0.00 0.00 0.00 46.02 43.75 1jgm n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jgm s LEU 130 N 0.00 1.04 0.00 0.99 1.43 -1.26 -4.26 118.68 116.62 1jgm s LEU 130 Ca 0.00 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 1jgm s LEU 130 Cb 0.00 0.48 0.00 0.00 0.03 0.00 0.00 46.19 46.70 1jgm s LEU 130 CO 0.00 -0.10 0.00 1.87 0.23 0.00 0.00 176.35 178.35 1jgm n TRP 131 N 3.60 0.00 0.10 0.29 -0.00 -1.26 -3.77 117.44 116.40 1jgm n TRP 131 Ca -0.19 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.36 1jgm n TRP 131 Cb 0.55 0.00 0.22 0.00 -0.00 0.00 0.00 31.31 32.09 1jgm n TRP 131 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 177.69 179.66 1jgm n PHE 132 N 0.00 1.04 -2.58 5.87 1.16 -1.26 -4.33 117.46 117.36 1jgm n PHE 132 Ca 0.00 -0.39 -0.16 0.00 -1.87 0.00 0.00 57.45 55.04 1jgm n PHE 132 Cb 0.00 -0.25 0.02 0.00 -1.61 0.00 0.00 39.48 37.64 1jgm n PHE 132 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 1jgm n ASP 133 N 0.48 2.81 -4.75 5.98 4.64 -1.26 -5.09 116.55 119.36 1jgm n ASP 133 Ca 0.16 -3.09 -0.41 0.00 -1.38 0.00 0.00 54.79 50.07 1jgm n ASP 133 Cb 0.68 -0.49 -0.03 0.00 -1.04 0.00 0.00 41.12 40.24 1jgm n ASP 133 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 1jgm s PRO 134 N -3.33 4.47 0.88 -0.67 0.04 -1.26 -4.86 135.00 130.26 1jgm s PRO 134 Ca 0.36 2.00 -0.13 0.00 0.04 0.00 0.00 61.00 63.27 1jgm s PRO 134 Cb 0.43 -3.17 0.12 0.00 0.04 0.00 0.00 34.50 31.92 1jgm s PRO 134 CO -0.05 -0.07 1.17 -1.25 0.04 0.00 0.00 177.00 176.83 1jgm s PRO 135 N -0.97 1.41 0.32 0.56 0.04 -1.26 -4.61 135.00 130.48 1jgm s PRO 135 Ca 0.50 0.15 0.07 0.00 0.04 0.00 0.00 61.00 61.77 1jgm s PRO 135 Cb -0.35 -1.88 0.77 0.00 0.04 0.00 0.00 34.50 33.07 1jgm s PRO 135 CO 0.43 -1.99 1.80 -0.07 0.04 0.00 0.00 177.00 177.21 1jgm h LEU 136 N -1.34 0.75 -2.65 -3.56 3.38 -1.97 0.11 115.31 110.03 1jgm h LEU 136 Ca -0.48 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 1jgm h LEU 136 Cb 1.32 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 1jgm h LEU 136 CO 0.61 0.29 -0.01 0.28 0.09 0.00 0.00 178.44 179.70 1jgm h SER 137 N 0.74 0.00 0.00 -0.43 0.02 -2.00 -1.63 113.55 110.26 1jgm h SER 137 Ca 0.55 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 61.12 1jgm h SER 137 Cb 0.88 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.37 1jgm h SER 137 CO -0.33 0.01 -2.06 0.23 -1.14 0.00 0.00 176.83 173.55 1jgm n MET 138 N -3.32 0.59 0.24 3.45 2.81 0.03 -4.48 117.12 116.43 1jgm n MET 138 Ca -0.03 0.38 0.18 0.00 -1.81 0.00 0.00 57.70 56.42 1jgm n MET 138 Cb 0.11 -1.59 0.85 0.00 -0.71 0.00 0.00 33.22 31.88 1jgm n MET 138 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jgm h ARG 139 N -0.95 0.00 -0.05 0.03 3.08 -0.54 -1.21 114.38 114.73 1jgm h ARG 139 Ca -0.56 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.49 1jgm h ARG 139 Cb 1.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.57 1jgm h ARG 139 CO -0.33 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.85 1jgm n LEU 140 N -3.40 2.13 -4.86 3.04 4.77 -0.64 -4.97 117.00 113.07 1jgm n LEU 140 Ca 0.01 -0.74 -0.31 0.00 -0.03 0.00 0.00 56.01 54.95 1jgm n LEU 140 Cb 0.38 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 1jgm n LEU 140 CO 0.22 0.37 0.59 -0.13 -1.33 0.00 0.00 177.39 177.11 1jgm s ARG 141 N -1.96 3.79 0.68 3.23 1.81 -0.46 -5.08 118.95 120.95 1jgm s ARG 141 Ca 0.34 0.69 -0.07 0.00 -1.72 0.00 0.00 55.73 54.97 1jgm s ARG 141 Cb 0.20 -2.23 0.05 0.00 -0.45 0.00 0.00 34.95 32.52 1jgm s ARG 141 CO 0.32 -0.25 0.99 -1.54 -0.68 0.00 0.00 175.30 174.14 1jgm s SER 142 N -3.42 5.01 0.30 0.23 1.04 -1.26 -4.86 113.70 110.73 1jgm s SER 142 Ca 0.55 0.53 -0.02 0.00 0.48 0.00 0.00 55.95 57.49 1jgm s SER 142 Cb -0.10 -1.26 0.45 0.00 0.10 0.00 0.00 66.02 65.21 1jgm s SER 142 CO 0.37 -1.47 1.95 1.62 0.98 0.00 0.00 173.24 176.69 1jgm h VAL 143 N -0.50 1.21 -0.32 5.02 3.04 -1.98 -0.48 116.25 122.23 1jgm h VAL 143 Ca -0.45 -0.44 -0.02 0.00 -1.01 0.00 0.00 66.70 64.79 1jgm h VAL 143 Cb 1.30 0.11 -0.01 0.00 -2.01 0.00 0.00 31.29 30.68 1jgm h VAL 143 CO 0.60 0.21 0.13 -0.33 -1.01 0.00 0.00 177.57 177.18 1jgm h GLU 144 N 1.05 0.47 0.17 4.17 3.07 -1.95 -1.16 114.58 120.40 1jgm h GLU 144 Ca 0.28 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.36 59.05 1jgm h GLU 144 Cb -0.07 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.77 1jgm h GLU 144 CO -0.05 0.48 -0.08 0.93 -1.40 0.00 0.00 179.01 178.88 1jgm h GLU 145 N 0.37 -0.22 -0.92 2.33 5.08 -1.80 -2.19 114.58 117.22 1jgm h GLU 145 Ca 0.11 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.60 1jgm h GLU 145 Cb 0.18 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.41 1jgm h GLU 145 CO -0.01 -0.08 0.59 -0.07 -1.00 0.00 0.00 179.01 178.44 1jgm h LEU 146 N -0.31 0.79 -0.60 1.33 3.38 -1.05 -0.87 115.31 117.99 1jgm h LEU 146 Ca -0.02 0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1jgm h LEU 146 Cb 0.24 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1jgm h LEU 146 CO 0.04 0.44 0.39 0.74 0.09 0.00 0.00 178.44 180.13 1jgm h THR 147 N 0.86 1.13 -0.25 0.22 2.02 -0.90 0.52 112.91 116.51 1jgm h THR 147 Ca 0.45 -0.27 -0.09 0.00 0.77 0.00 0.00 66.41 67.27 1jgm h THR 147 Cb 0.52 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1jgm h THR 147 CO -0.21 0.14 -0.23 1.56 0.37 0.00 0.00 175.52 177.15 1jgm h GLN 148 N 0.79 0.47 -0.22 6.66 1.08 -0.57 -0.80 115.11 122.51 1jgm h GLN 148 Ca 0.22 -0.17 -0.02 0.00 -1.45 0.00 0.00 58.65 57.23 1jgm h GLN 148 Cb -0.07 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 1jgm h GLN 148 CO -0.06 0.67 0.04 0.35 -0.95 0.00 0.00 178.83 178.89 1jgm h PHE 149 N 0.42 0.38 -0.86 2.96 3.04 -0.30 -0.23 116.94 122.35 1jgm h PHE 149 Ca 0.06 -0.05 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 1jgm h PHE 149 Cb 0.63 -0.11 -0.04 0.00 2.56 0.00 0.00 35.95 39.00 1jgm h PHE 149 CO 0.02 0.48 0.47 0.74 -2.02 0.00 0.00 178.31 178.01 1jgm h PHE 150 N 0.17 1.18 -0.60 0.41 0.04 -0.76 -2.13 116.94 115.26 1jgm h PHE 150 Ca 0.07 -0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.76 1jgm h PHE 150 Cb 0.30 -0.38 -0.03 0.00 2.20 0.00 0.00 35.95 38.05 1jgm h PHE 150 CO 0.02 0.82 0.17 -0.07 -0.60 0.00 0.00 178.31 178.64 1jgm h LEU 151 N 1.21 0.85 -0.37 1.54 3.38 -0.90 -1.75 115.31 119.26 1jgm h LEU 151 Ca 0.30 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.19 1jgm h LEU 151 Cb 0.03 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 1jgm h LEU 151 CO -0.05 0.81 0.07 -0.09 0.09 0.00 0.00 178.44 179.27 1jgm h ARG 152 N 0.88 0.18 -0.02 1.13 2.43 -0.40 0.70 114.38 119.29 1jgm h ARG 152 Ca 0.19 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 1jgm h ARG 152 Cb 0.28 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1jgm h ARG 152 CO -0.01 0.12 -0.29 0.93 -1.51 0.00 0.00 179.97 179.21 1jgm h GLU 153 N 0.19 0.03 0.06 0.20 5.08 -0.95 0.28 114.58 119.47 1jgm h GLU 153 Ca 0.18 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.36 1jgm h GLU 153 Cb 0.21 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1jgm h GLU 153 CO -0.24 0.32 -0.87 0.82 -1.00 0.00 0.00 179.01 178.04 1jgm h ILE 154 N 0.03 1.31 0.16 3.13 2.04 -0.93 0.28 117.51 123.52 1jgm h ILE 154 Ca 0.00 -2.36 -0.27 0.00 1.00 0.00 0.00 64.86 63.23 1jgm h ILE 154 Cb 0.53 2.89 0.01 0.00 -0.74 0.00 0.00 36.82 39.51 1jgm h ILE 154 CO 0.04 0.59 -1.28 1.56 0.00 0.00 0.00 178.15 179.06 1jgm h GLN 155 N -0.67 0.34 0.00 2.37 4.20 -0.90 -3.38 115.11 117.07 1jgm h GLN 155 Ca -0.20 -0.58 -0.34 0.00 0.06 0.00 0.00 58.65 57.60 1jgm h GLN 155 Cb 1.42 0.21 -0.05 0.00 0.30 0.00 0.00 27.48 29.36 1jgm h GLN 155 CO -0.00 1.28 -2.10 0.66 -0.67 0.00 0.00 178.83 177.99 1jgm n TYR 156 N -3.91 0.00 0.00 2.96 0.53 -0.65 -5.03 117.16 111.06 1jgm n TYR 156 Ca -0.20 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.68 1jgm n TYR 156 Cb 0.94 -0.81 0.00 0.00 -1.03 0.00 0.00 39.34 38.44 1jgm n TYR 156 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1jgm n GLY 157 N 1.48 3.96 3.73 2.72 0.00 -0.00 -4.52 105.19 112.55 1jgm n GLY 157 Ca -0.42 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 1jgm n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jgm s ILE 158 N -2.00 4.53 0.00 -0.61 1.01 0.98 -4.30 121.20 120.81 1jgm s ILE 158 Ca 0.00 2.05 0.00 0.00 0.00 0.00 0.00 60.65 62.70 1jgm s ILE 158 Cb 0.00 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 38.16 1jgm s ILE 158 CO 0.00 0.29 0.00 -0.62 0.00 0.00 0.00 174.94 174.61 1jgm n GLU 159 N 2.95 0.00 -0.63 2.79 1.02 -1.26 -1.48 120.64 124.03 1jgm n GLU 159 Ca 0.03 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.23 1jgm n GLU 159 Cb 0.49 0.00 0.30 0.00 -0.02 0.00 0.00 31.44 32.21 1jgm n GLU 159 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1jgm n ASP 160 N 1.79 4.38 0.11 1.62 3.85 -1.26 -4.62 116.55 122.42 1jgm n ASP 160 Ca 0.00 -3.06 0.12 0.00 -0.71 0.00 0.00 54.79 51.14 1jgm n ASP 160 Cb 0.00 -0.60 0.05 0.00 -1.35 0.00 0.00 41.12 39.22 1jgm n ASP 160 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 1jgm h THR 161 N 2.40 0.00 0.00 2.12 1.35 -1.60 -3.48 112.91 113.71 1jgm h THR 161 Ca 0.03 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 1jgm h THR 161 Cb 1.68 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 1jgm h THR 161 CO 0.35 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.23 1jgm n GLY 162 N 1.20 1.54 3.64 5.82 0.00 -1.25 -4.95 105.19 111.19 1jgm n GLY 162 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1jgm n GLY 162 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jgm s ILE 163 N -3.63 4.65 -0.10 -0.61 1.01 -1.26 -4.70 121.20 116.55 1jgm s ILE 163 Ca 0.00 1.75 -0.11 0.00 0.00 0.00 0.00 60.65 62.29 1jgm s ILE 163 Cb 0.00 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 38.12 1jgm s ILE 163 CO 0.00 -0.29 0.26 -0.13 0.00 0.00 0.00 174.94 174.78 1jgm s ARG 164 N 3.29 3.84 0.37 2.79 0.52 -1.26 -0.02 118.95 128.48 1jgm s ARG 164 Ca 0.42 0.08 -0.27 0.00 -0.52 0.00 0.00 55.73 55.44 1jgm s ARG 164 Cb -0.14 -3.27 -0.09 0.00 0.52 0.00 0.00 34.95 31.96 1jgm s ARG 164 CO 0.10 0.58 1.24 0.00 0.02 0.00 0.00 175.30 177.25 1jgm s ALA 165 N -0.57 3.31 -0.89 2.13 0.00 0.09 -4.52 121.76 121.32 1jgm s ALA 165 Ca 0.17 1.13 0.10 0.00 0.00 0.00 0.00 51.96 53.36 1jgm s ALA 165 Cb -0.14 -3.44 0.24 0.00 0.00 0.00 0.00 23.12 19.79 1jgm s ALA 165 CO 0.06 -0.61 1.16 0.41 0.00 0.00 0.00 175.76 176.78 1jgm n GLY 166 N 0.75 2.29 3.45 0.00 0.00 0.26 -4.60 105.19 107.34 1jgm n GLY 166 Ca 0.02 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 1jgm n GLY 166 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1jgm s ILE 167 N -0.97 0.00 0.25 -0.61 2.07 -1.21 -4.38 121.20 116.35 1jgm s ILE 167 Ca 0.19 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.43 1jgm s ILE 167 Cb 0.10 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.69 1jgm s ILE 167 CO 0.14 0.00 0.00 -0.38 -1.91 0.00 0.00 174.94 172.79 1jgm n ILE 168 N -0.11 0.00 0.00 2.00 5.41 0.26 -1.23 119.36 125.68 1jgm n ILE 168 Ca -0.17 -1.17 0.00 0.00 1.00 0.00 0.00 62.75 62.41 1jgm n ILE 168 Cb 0.63 0.23 0.00 0.00 -0.71 0.00 0.00 39.64 39.79 1jgm n ILE 168 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1jgm n VAL 170 N -0.62 0.00 -3.49 1.39 0.24 -0.67 -0.58 118.33 114.59 1jgm n VAL 170 Ca -0.10 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.04 1jgm n VAL 170 Cb 0.31 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.64 1jgm n VAL 170 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jgm s ALA 171 N -2.00 -1.73 0.05 2.33 0.00 -1.25 -1.33 121.76 117.83 1jgm s ALA 171 Ca 0.00 1.08 -0.02 0.00 0.00 0.00 0.00 51.96 53.02 1jgm s ALA 171 Cb 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.32 1jgm s ALA 171 CO 0.00 -0.50 -0.01 0.95 0.00 0.00 0.00 175.76 176.21 1jgm s THR 172 N -2.02 0.20 -0.41 0.00 -4.23 -1.06 -4.81 115.64 103.31 1jgm s THR 172 Ca -0.06 -1.64 0.06 0.00 -1.18 0.00 0.00 61.69 58.87 1jgm s THR 172 Cb -0.00 -1.36 0.22 0.00 1.34 0.00 0.00 72.50 72.69 1jgm s THR 172 CO 0.02 -0.91 0.45 0.35 -0.54 0.00 0.00 174.62 173.99 1jgm n THR 173 N 0.26 -0.81 0.00 3.99 -2.24 -1.26 -3.80 114.28 110.42 1jgm n THR 173 Ca -0.15 -3.80 0.00 0.00 -2.27 0.00 0.00 64.05 57.82 1jgm n THR 173 Cb 0.60 -1.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.00 1jgm n THR 173 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jgm n GLY 174 N 2.01 -1.64 3.69 3.38 0.00 -1.26 -4.95 105.19 106.41 1jgm n GLY 174 Ca 0.25 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 1jgm n GLY 174 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jgm n LYS 175 N 0.00 2.09 -2.05 1.61 4.81 -1.26 -4.89 118.16 118.47 1jgm n LYS 175 Ca 0.00 0.74 -0.39 0.00 -0.87 0.00 0.00 58.31 57.79 1jgm n LYS 175 Cb 0.00 -2.33 -0.00 0.00 0.02 0.00 0.00 35.03 32.71 1jgm n LYS 175 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jgm s ALA 176 N -0.79 3.19 0.85 3.14 0.00 -1.26 -5.02 121.76 121.87 1jgm s ALA 176 Ca 0.59 1.21 -0.12 0.00 0.00 0.00 0.00 51.96 53.64 1jgm s ALA 176 Cb -0.59 -3.48 0.10 0.00 0.00 0.00 0.00 23.12 19.15 1jgm s ALA 176 CO 0.58 -0.85 1.14 0.95 0.00 0.00 0.00 175.76 177.58 1jgm s THR 177 N -1.29 2.31 0.28 0.00 -4.23 -1.26 -4.82 115.64 106.63 1jgm s THR 177 Ca 0.59 0.10 -0.03 0.00 -1.18 0.00 0.00 61.69 61.17 1jgm s THR 177 Cb -0.37 -2.93 0.26 0.00 1.34 0.00 0.00 72.50 70.80 1jgm s THR 177 CO 0.47 -0.13 1.94 -0.65 -0.54 0.00 0.00 174.62 175.72 1jgm h PRO 178 N -1.25 1.16 -0.52 3.99 0.11 -2.00 -0.92 132.00 132.56 1jgm h PRO 178 Ca -0.48 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 65.45 1jgm h PRO 178 Cb 1.31 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1jgm h PRO 178 CO 0.63 0.76 -0.08 0.35 -0.21 0.00 0.00 178.00 179.45 1jgm h PHE 179 N 1.19 1.07 -0.34 0.65 3.57 -1.94 -2.53 116.94 118.62 1jgm h PHE 179 Ca 0.34 -0.21 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1jgm h PHE 179 Cb -0.08 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.38 1jgm h PHE 179 CO -0.00 1.01 0.12 1.96 -2.23 0.00 0.00 178.31 179.16 1jgm h GLN 180 N 0.83 0.48 -0.72 1.11 4.20 -1.73 -0.07 115.11 119.21 1jgm h GLN 180 Ca 0.14 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 1jgm h GLN 180 Cb 0.63 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 1jgm h GLN 180 CO 0.04 0.42 0.22 0.93 -0.67 0.00 0.00 178.83 179.78 1jgm h GLU 181 N 0.48 1.11 -0.47 1.46 5.08 -0.77 0.06 114.58 121.53 1jgm h GLU 181 Ca 0.12 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1jgm h GLU 181 Cb 0.13 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1jgm h GLU 181 CO -0.01 0.94 0.20 -0.07 -1.00 0.00 0.00 179.01 179.08 1jgm h LEU 182 N 1.07 0.63 -0.47 1.33 3.38 -0.99 -1.29 115.31 118.97 1jgm h LEU 182 Ca 0.23 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1jgm h LEU 182 Cb 0.30 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1jgm h LEU 182 CO -0.01 0.61 0.31 0.58 0.09 0.00 0.00 178.44 180.02 1jgm h VAL 183 N 0.61 1.12 -0.78 1.22 2.07 -0.60 0.37 116.25 120.26 1jgm h VAL 183 Ca 0.16 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1jgm h VAL 183 Cb 0.16 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1jgm h VAL 183 CO -0.02 0.12 0.37 -0.07 0.02 0.00 0.00 177.57 177.99 1jgm h LEU 184 N 0.64 1.02 -0.35 2.57 4.07 -0.75 0.18 115.31 122.68 1jgm h LEU 184 Ca 0.17 -0.12 -0.05 0.00 0.08 0.00 0.00 57.88 57.96 1jgm h LEU 184 Cb -0.07 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.39 1jgm h LEU 184 CO -0.04 0.86 0.02 0.11 -1.08 0.00 0.00 178.44 178.31 1jgm h LYS 185 N 1.11 0.61 -0.73 1.13 1.57 -0.89 -0.95 116.57 118.42 1jgm h LYS 185 Ca 0.27 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1jgm h LYS 185 Cb 0.11 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1jgm h LYS 185 CO -0.03 0.71 0.25 0.00 -0.57 0.00 0.00 179.45 179.81 1jgm h ALA 186 N 0.87 1.07 -0.45 3.86 0.00 -0.64 -0.84 119.26 123.13 1jgm h ALA 186 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1jgm h ALA 186 Cb 0.43 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1jgm h ALA 186 CO 0.01 0.64 0.29 0.00 0.00 0.00 0.00 179.25 180.20 1jgm h ALA 187 N 1.20 0.58 -0.66 0.00 0.00 -0.81 0.25 119.26 119.80 1jgm h ALA 187 Ca 0.24 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1jgm h ALA 187 Cb 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1jgm h ALA 187 CO -0.01 0.04 0.28 0.00 0.00 0.00 0.00 179.25 179.56 1jgm h ALA 188 N 1.15 0.86 -0.56 0.00 0.00 -0.75 0.09 119.26 120.06 1jgm h ALA 188 Ca 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1jgm h ALA 188 Cb -0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1jgm h ALA 188 CO -0.03 0.46 0.26 0.00 0.00 0.00 0.00 179.25 179.94 1jgm h ARG 189 N 0.93 0.81 -0.69 0.00 3.08 -0.70 0.16 114.38 117.96 1jgm h ARG 189 Ca 0.22 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 1jgm h ARG 189 Cb 0.18 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1jgm h ARG 189 CO -0.02 0.66 0.15 0.00 -1.07 0.00 0.00 179.97 179.69 1jgm h ALA 190 N 1.10 0.91 -0.63 0.04 0.00 -0.69 -1.69 119.26 118.30 1jgm h ALA 190 Ca 0.19 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1jgm h ALA 190 Cb 0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1jgm h ALA 190 CO -0.02 0.65 0.11 1.03 0.00 0.00 0.00 179.25 181.02 1jgm h SER 191 N 1.05 1.00 -0.58 0.00 0.87 -0.67 -1.44 113.55 113.79 1jgm h SER 191 Ca 0.21 -0.26 -0.06 0.00 -1.23 0.00 0.00 61.79 60.45 1jgm h SER 191 Cb 0.40 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 1jgm h SER 191 CO 0.01 1.01 0.14 -0.07 -0.53 0.00 0.00 176.83 177.38 1jgm h LEU 192 N 0.96 0.92 -0.41 2.23 3.38 -0.65 0.28 115.31 122.02 1jgm h LEU 192 Ca 0.19 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1jgm h LEU 192 Cb 0.43 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1jgm h LEU 192 CO 0.01 0.90 -0.73 0.00 0.09 0.00 0.00 178.44 178.70 1jgm h ALA 193 N 1.22 0.70 0.00 1.53 0.00 -1.17 -3.38 119.26 118.16 1jgm h ALA 193 Ca 0.20 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1jgm h ALA 193 Cb 0.35 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1jgm h ALA 193 CO 0.00 0.92 -1.48 0.25 0.00 0.00 0.00 179.25 178.94 1jgm n THR 194 N -3.54 0.03 -0.05 0.00 -2.24 -0.56 -5.01 114.28 102.91 1jgm n THR 194 Ca -0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1jgm n THR 194 Cb 0.74 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 1jgm n THR 194 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jgm n GLY 195 N 1.94 1.53 3.77 3.38 0.00 0.97 -4.62 105.19 112.16 1jgm n GLY 195 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1jgm n GLY 195 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jgm s VAL 196 N -2.59 3.52 0.87 1.61 1.01 -1.26 -0.92 120.40 122.64 1jgm s VAL 196 Ca 0.00 1.33 -0.12 0.00 0.00 0.00 0.00 61.98 63.19 1jgm s VAL 196 Cb 0.00 -3.77 0.11 0.00 0.00 0.00 0.00 36.38 32.73 1jgm s VAL 196 CO 0.00 0.17 1.12 -2.16 0.00 0.00 0.00 175.10 174.23 1jgm s PRO 197 N -2.03 1.47 -0.05 2.72 0.04 -1.26 -4.46 135.00 131.42 1jgm s PRO 197 Ca 0.52 0.43 0.05 0.00 0.04 0.00 0.00 61.00 62.04 1jgm s PRO 197 Cb -0.28 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1jgm s PRO 197 CO 0.35 -2.00 -0.18 0.08 0.04 0.00 0.00 177.00 175.29 1jgm s VAL 198 N -3.22 2.72 0.05 -0.36 1.01 0.42 -0.58 120.40 120.44 1jgm s VAL 198 Ca 0.63 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.80 1jgm s VAL 198 Cb -0.15 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 1jgm s VAL 198 CO 0.54 0.58 -0.12 0.28 0.00 0.00 0.00 175.10 176.38 1jgm s THR 199 N -0.55 0.91 0.19 3.92 -1.32 0.25 -1.07 115.64 117.97 1jgm s THR 199 Ca 0.08 -1.05 0.04 0.00 -1.21 0.00 0.00 61.69 59.54 1jgm s THR 199 Cb -0.11 -0.87 -0.05 0.00 -1.51 0.00 0.00 72.50 69.96 1jgm s THR 199 CO 0.01 -0.16 -0.04 0.42 -2.21 0.00 0.00 174.62 172.64 1jgm s THR 200 N -1.06 1.06 -0.14 5.08 -4.23 -0.05 -1.68 115.64 114.62 1jgm s THR 200 Ca -0.02 -2.04 -0.06 0.00 -1.18 0.00 0.00 61.69 58.39 1jgm s THR 200 Cb -0.09 -2.12 -0.04 0.00 1.34 0.00 0.00 72.50 71.60 1jgm s THR 200 CO 0.01 -0.51 0.05 -2.28 -0.54 0.00 0.00 174.62 171.35 1jgm s HIS 201 N -3.40 3.27 0.12 3.99 2.46 -0.44 -1.35 115.29 119.93 1jgm s HIS 201 Ca 0.23 0.15 0.02 0.00 0.47 0.00 0.00 55.06 55.94 1jgm s HIS 201 Cb 0.04 -1.97 -0.04 0.00 -0.13 0.00 0.00 32.58 30.48 1jgm s HIS 201 CO 0.05 0.32 -0.06 0.95 -2.47 0.00 0.00 174.74 173.53 1jgm s THR 202 N -0.21 0.77 -1.03 0.89 -4.23 -1.25 -2.55 115.64 108.03 1jgm s THR 202 Ca 0.07 -1.97 -0.12 0.00 -1.18 0.00 0.00 61.69 58.50 1jgm s THR 202 Cb -0.12 -1.80 0.23 0.00 1.34 0.00 0.00 72.50 72.16 1jgm s THR 202 CO 0.01 -0.77 1.07 0.00 -0.54 0.00 0.00 174.62 174.39 1jgm s ALA 203 N -3.58 4.34 0.25 3.99 0.00 -1.25 -4.82 121.76 120.69 1jgm s ALA 203 Ca 0.15 -3.54 -0.03 0.00 0.00 0.00 0.00 51.96 48.54 1jgm s ALA 203 Cb 0.05 -3.68 0.52 0.00 0.00 0.00 0.00 23.12 20.01 1jgm s ALA 203 CO -0.02 -2.37 1.72 0.00 0.00 0.00 0.00 175.76 175.08 1jgm h ALA 204 N 7.22 1.13 0.00 0.00 0.00 -1.88 -0.34 119.26 125.39 1jgm h ALA 204 Ca 0.18 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1jgm h ALA 204 Cb 0.93 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1jgm h ALA 204 CO 0.98 -0.25 0.00 0.66 0.00 0.00 0.00 179.25 180.65 1jgm h SER 205 N 0.42 0.00 -0.41 0.00 4.64 -1.92 0.71 113.55 116.99 1jgm h SER 205 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1jgm h SER 205 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1jgm h SER 205 CO -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.52 1jgm n GLN 206 N -2.81 2.41 -2.70 4.77 6.02 -0.15 -4.95 117.38 119.96 1jgm n GLN 206 Ca -0.01 -2.14 -0.20 0.00 -0.01 0.00 0.00 57.00 54.64 1jgm n GLN 206 Cb 0.14 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 29.91 1jgm n GLN 206 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1jgm n ARG 207 N 1.32 -3.23 0.05 -1.09 1.74 0.24 -4.89 116.66 110.80 1jgm n ARG 207 Ca 0.19 0.89 0.20 0.00 -0.77 0.00 0.00 57.85 58.36 1jgm n ARG 207 Cb 0.56 -5.56 0.72 0.00 -1.02 0.00 0.00 32.46 27.16 1jgm n ARG 207 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1jgm h ASP 208 N -0.72 0.00 -0.30 0.55 3.45 -1.76 -1.70 116.42 115.94 1jgm h ASP 208 Ca -0.48 0.00 0.09 0.00 0.43 0.00 0.00 57.03 57.07 1jgm h ASP 208 Cb 1.34 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.10 1jgm h ASP 208 CO 0.54 0.00 0.23 1.23 -1.57 0.00 0.00 179.24 179.66 1jgm h GLY 209 N 0.00 0.00 0.69 2.75 0.00 -1.90 -0.82 103.07 103.79 1jgm h GLY 209 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 1jgm h GLY 209 CO -0.00 0.00 -0.00 0.83 0.00 0.00 0.00 176.54 177.36 1jgm h GLU 210 N 0.00 0.07 -0.66 4.80 5.08 -1.69 0.09 114.58 122.27 1jgm h GLU 210 Ca 0.14 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1jgm h GLU 210 Cb 0.59 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1jgm h GLU 210 CO -0.00 0.38 0.13 0.37 -1.00 0.00 0.00 179.01 178.89 1jgm h GLN 211 N -0.26 1.06 -0.17 2.33 4.15 -1.52 -1.36 115.11 119.35 1jgm h GLN 211 Ca 0.01 -0.26 0.03 0.00 0.77 0.00 0.00 58.65 59.20 1jgm h GLN 211 Cb 0.35 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 1jgm h GLN 211 CO 0.00 0.96 -0.03 1.96 -1.93 0.00 0.00 178.83 179.79 1jgm h GLN 212 N 1.00 0.01 -0.89 1.69 4.20 -1.03 -1.15 115.11 118.93 1jgm h GLN 212 Ca 0.20 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.96 1jgm h GLN 212 Cb 0.40 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.12 1jgm h GLN 212 CO 0.01 0.01 0.57 0.00 -0.67 0.00 0.00 178.83 178.74 1jgm h ALA 213 N 1.16 1.20 -0.53 3.87 0.00 -0.83 0.22 119.26 124.35 1jgm h ALA 213 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1jgm h ALA 213 Cb 0.12 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1jgm h ALA 213 CO -0.16 0.39 0.28 0.00 0.00 0.00 0.00 179.25 179.76 1jgm h ALA 214 N 1.39 0.68 -0.27 0.00 0.00 -0.64 0.11 119.26 120.53 1jgm h ALA 214 Ca 0.37 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1jgm h ALA 214 Cb 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1jgm h ALA 214 CO -0.14 0.21 0.06 0.82 0.00 0.00 0.00 179.25 180.20 1jgm h ILE 215 N 0.71 1.22 -0.57 0.00 2.04 -0.72 -0.82 117.51 119.38 1jgm h ILE 215 Ca 0.19 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1jgm h ILE 215 Cb 0.06 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1jgm h ILE 215 CO -0.03 0.24 0.37 -0.26 0.00 0.00 0.00 178.15 178.47 1jgm h PHE 216 N 0.26 0.72 -0.21 1.37 0.05 -0.74 -2.16 116.94 116.24 1jgm h PHE 216 Ca 0.08 0.01 -0.05 0.00 3.82 0.00 0.00 57.97 61.84 1jgm h PHE 216 Cb 0.30 -0.24 -0.01 0.00 2.00 0.00 0.00 35.95 37.99 1jgm h PHE 216 CO 0.02 0.46 -0.08 0.93 -0.18 0.00 0.00 178.31 179.46 1jgm h GLU 217 N 0.77 0.33 0.00 1.51 5.08 -0.62 -1.73 114.58 119.92 1jgm h GLU 217 Ca 0.21 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1jgm h GLU 217 Cb -0.08 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1jgm h GLU 217 CO -0.04 0.43 0.00 0.66 -1.00 0.00 0.00 179.01 179.05 1jgm h SER 218 N 0.32 0.00 -0.03 1.42 4.64 -0.48 -0.73 113.55 118.70 1jgm h SER 218 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1jgm h SER 218 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1jgm h SER 218 CO 0.02 0.00 -0.03 -0.62 -0.87 0.00 0.00 176.83 175.33 1jgm n GLU 219 N -2.84 2.21 -0.95 4.77 -0.58 -0.70 -4.97 120.64 117.57 1jgm n GLU 219 Ca -0.00 -1.80 0.00 0.00 -0.42 0.00 0.00 57.16 54.93 1jgm n GLU 219 Cb 0.19 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 1jgm n GLU 219 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jgm n GLY 220 N 1.34 0.44 3.76 0.62 0.00 -0.28 -4.91 105.19 106.17 1jgm n GLY 220 Ca 0.14 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 1jgm n GLY 220 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jgm s LEU 221 N 0.00 4.57 0.17 0.99 2.96 -0.92 -5.01 118.68 121.46 1jgm s LEU 221 Ca 0.00 1.88 -0.30 0.00 -0.22 0.00 0.00 54.13 55.49 1jgm s LEU 221 Cb 0.00 -3.66 -0.07 0.00 0.50 0.00 0.00 46.19 42.96 1jgm s LEU 221 CO 0.00 0.12 1.06 -0.55 -1.32 0.00 0.00 176.35 175.65 1jgm s SER 222 N -1.28 7.34 0.56 3.68 0.15 -1.26 -4.49 113.70 118.40 1jgm s SER 222 Ca 0.42 2.02 0.26 0.00 0.70 0.00 0.00 55.95 59.35 1jgm s SER 222 Cb -0.24 -2.60 1.50 0.00 -1.71 0.00 0.00 66.02 62.97 1jgm s SER 222 CO 0.29 -0.16 2.07 -0.65 1.20 0.00 0.00 173.24 176.00 1jgm h PRO 223 N 5.08 0.00 0.00 5.44 0.11 -1.85 0.99 132.00 141.76 1jgm h PRO 223 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1jgm h PRO 223 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1jgm h PRO 223 CO 0.72 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.38 1jgm n SER 224 N -4.11 0.00 -0.91 -2.05 3.41 -1.18 -1.28 113.62 107.50 1jgm n SER 224 Ca 0.04 0.35 0.11 0.00 -0.26 0.00 0.00 58.87 59.11 1jgm n SER 224 Cb 0.39 -0.42 0.27 0.00 -0.26 0.00 0.00 64.21 64.19 1jgm n SER 224 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jgm n ARG 225 N -1.42 2.20 -4.80 4.33 5.12 0.34 -4.90 116.66 117.53 1jgm n ARG 225 Ca 0.04 -1.80 -0.26 0.00 -1.93 0.00 0.00 57.85 53.90 1jgm n ARG 225 Cb 0.14 -1.46 -0.16 0.00 -1.16 0.00 0.00 32.46 29.81 1jgm n ARG 225 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1jgm s VAL 226 N -1.64 1.40 -0.22 1.55 1.01 -0.40 -0.44 120.40 121.66 1jgm s VAL 226 Ca 0.36 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 1jgm s VAL 226 Cb 0.20 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 1jgm s VAL 226 CO 0.29 0.41 -0.04 0.00 0.00 0.00 0.00 175.10 175.76 1jgm s ILE 228 N 1.48 4.67 0.78 0.00 -1.09 -0.35 -0.87 121.20 125.82 1jgm s ILE 228 Ca 0.06 -0.39 -0.09 0.00 -2.23 0.00 0.00 60.65 57.99 1jgm s ILE 228 Cb -0.14 -4.45 0.09 0.00 -1.58 0.00 0.00 42.46 36.38 1jgm s ILE 228 CO -0.03 -1.04 1.12 -0.83 -1.23 0.00 0.00 174.94 172.93 1jgm s GLY 229 N 3.06 1.68 -1.70 6.18 0.00 -0.46 -0.85 107.32 115.23 1jgm s GLY 229 Ca 0.19 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.98 1jgm s GLY 229 CO 0.12 -0.43 0.00 1.42 0.00 0.00 0.00 173.10 174.21 1jgm n HIS 230 N -3.18 -0.81 0.30 1.90 8.25 -1.11 -3.75 115.22 116.83 1jgm n HIS 230 Ca 0.10 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.73 1jgm n HIS 230 Cb 0.60 -3.49 0.75 0.00 1.12 0.00 0.00 29.99 28.98 1jgm n HIS 230 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1jgm h SER 231 N 0.00 0.00 -0.01 0.41 0.02 -1.18 -1.56 113.55 111.23 1jgm h SER 231 Ca -0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1jgm h SER 231 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1jgm h SER 231 CO 0.53 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.32 1jgm n ASP 232 N -2.92 0.21 0.00 3.07 3.85 -1.26 -2.97 116.55 116.54 1jgm n ASP 232 Ca 0.00 -1.28 0.13 0.00 -0.71 0.00 0.00 54.79 52.93 1jgm n ASP 232 Cb 0.24 -0.01 0.61 0.00 -1.35 0.00 0.00 41.12 40.62 1jgm n ASP 232 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 1jgm n ASP 233 N -0.73 0.00 -4.47 -1.12 10.43 -0.59 -4.79 116.55 115.28 1jgm n ASP 233 Ca 0.18 0.33 -0.27 0.00 2.57 0.00 0.00 54.79 57.60 1jgm n ASP 233 Cb 0.12 -0.44 -0.11 0.00 1.84 0.00 0.00 41.12 42.53 1jgm n ASP 233 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 1jgm s THR 234 N -2.88 2.63 -2.06 -3.53 -1.32 -1.16 -4.62 115.64 102.70 1jgm s THR 234 Ca 0.17 -1.93 0.21 0.00 -1.21 0.00 0.00 61.69 58.92 1jgm s THR 234 Cb 0.18 -2.28 0.44 0.00 -1.51 0.00 0.00 72.50 69.33 1jgm s THR 234 CO 0.47 -0.13 1.38 0.47 -2.21 0.00 0.00 174.62 174.60 1jgm n ASP 235 N 0.15 3.43 -4.54 8.08 10.43 -1.26 -4.83 116.55 128.00 1jgm n ASP 235 Ca -0.12 -1.96 -0.43 0.00 2.57 0.00 0.00 54.79 54.86 1jgm n ASP 235 Cb 0.56 -0.29 -0.01 0.00 1.84 0.00 0.00 41.12 43.22 1jgm n ASP 235 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1jgm s ASP 236 N -1.26 6.76 0.45 -2.24 3.68 -1.26 -4.80 116.67 118.00 1jgm s ASP 236 Ca 0.38 -2.21 0.13 0.00 2.13 0.00 0.00 52.55 52.98 1jgm s ASP 236 Cb 0.21 -2.53 1.00 0.00 -1.45 0.00 0.00 42.92 40.15 1jgm s ASP 236 CO 0.29 -1.19 2.01 0.25 0.13 0.00 0.00 175.17 176.66 1jgm h LEU 237 N 11.93 0.08 -0.68 -1.34 5.85 -1.99 -2.17 115.31 126.99 1jgm h LEU 237 Ca 0.32 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 59.01 1jgm h LEU 237 Cb 0.93 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1jgm h LEU 237 CO 1.38 0.20 0.32 0.28 -0.34 0.00 0.00 178.44 180.28 1jgm h SER 238 N 0.09 0.90 -0.47 1.25 0.02 -1.99 0.34 113.55 113.69 1jgm h SER 238 Ca 0.02 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.80 1jgm h SER 238 Cb 0.24 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1jgm h SER 238 CO 0.01 0.78 0.18 0.22 -1.14 0.00 0.00 176.83 176.89 1jgm h TYR 239 N 0.95 0.72 -0.24 3.45 5.03 -1.81 -2.00 116.97 123.06 1jgm h TYR 239 Ca 0.23 -0.06 -0.05 0.00 2.58 0.00 0.00 58.73 61.44 1jgm h TYR 239 Cb 0.13 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.19 1jgm h TYR 239 CO 0.01 0.61 -0.02 -0.07 -1.32 0.00 0.00 178.16 177.36 1jgm h LEU 240 N 0.61 0.44 -1.17 2.82 3.38 -1.16 -2.76 115.31 117.47 1jgm h LEU 240 Ca 0.15 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 1jgm h LEU 240 Cb 0.21 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1jgm h LEU 240 CO -0.01 0.67 -0.20 0.71 0.09 0.00 0.00 178.44 179.70 1jgm h THR 241 N 0.20 1.23 -0.20 0.22 1.35 -0.29 -0.85 112.91 114.58 1jgm h THR 241 Ca 0.07 -1.05 -0.09 0.00 -0.55 0.00 0.00 66.41 64.78 1jgm h THR 241 Cb 0.46 1.31 -0.01 0.00 -1.73 0.00 0.00 68.15 68.17 1jgm h THR 241 CO 0.02 0.33 -0.27 0.00 -0.25 0.00 0.00 175.52 175.35 1jgm h ALA 242 N 1.49 1.18 -0.17 6.62 0.00 -1.31 0.17 119.26 127.24 1jgm h ALA 242 Ca 0.05 -0.34 -0.18 0.00 0.00 0.00 0.00 54.91 54.45 1jgm h ALA 242 Cb 0.53 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1jgm h ALA 242 CO 0.04 0.53 -0.59 -0.07 0.00 0.00 0.00 179.25 179.16 1jgm h LEU 243 N 0.33 0.81 -0.79 0.00 3.38 -1.17 -2.99 115.31 114.88 1jgm h LEU 243 Ca 0.05 -0.60 0.03 0.00 0.09 0.00 0.00 57.88 57.45 1jgm h LEU 243 Cb 0.65 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1jgm h LEU 243 CO 0.05 1.28 0.50 0.00 0.09 0.00 0.00 178.44 180.36 1jgm h ALA 244 N 0.56 1.03 -0.47 1.53 0.00 -0.68 -1.73 119.26 119.50 1jgm h ALA 244 Ca -0.02 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1jgm h ALA 244 Cb 1.21 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1jgm h ALA 244 CO 0.12 0.32 0.32 0.00 0.00 0.00 0.00 179.25 180.01 1jgm h ALA 245 N 1.33 1.92 -0.00 0.00 0.00 -0.67 -0.26 119.26 121.57 1jgm h ALA 245 Ca 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1jgm h ALA 245 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1jgm h ALA 245 CO -0.11 0.00 -0.08 0.54 0.00 0.00 0.00 179.25 179.60 1jgm n ARG 246 N -4.48 0.42 0.00 0.00 1.74 -0.68 -4.93 116.66 108.73 1jgm n ARG 246 Ca 0.06 -0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1jgm n ARG 246 Cb 0.24 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 1jgm n ARG 246 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jgm n GLY 247 N 1.34 0.76 3.83 -0.13 0.00 -0.11 -4.75 105.19 106.13 1jgm n GLY 247 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1jgm n GLY 247 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jgm s TYR 248 N -2.00 3.32 0.14 1.61 1.51 -1.03 -3.12 117.35 117.77 1jgm s TYR 248 Ca 0.00 1.45 -0.15 0.00 -1.01 0.00 0.00 57.07 57.36 1jgm s TYR 248 Cb 0.00 -2.85 -0.07 0.00 -0.11 0.00 0.00 41.96 38.93 1jgm s TYR 248 CO 0.00 -0.72 0.55 -0.51 -1.11 0.00 0.00 175.55 173.75 1jgm s LEU 249 N -4.54 4.36 -0.25 -1.29 1.02 0.19 -4.45 118.68 113.72 1jgm s LEU 249 Ca 0.59 1.09 -0.04 0.00 0.02 0.00 0.00 54.13 55.80 1jgm s LEU 249 Cb -0.12 -3.22 0.01 0.00 0.02 0.00 0.00 46.19 42.88 1jgm s LEU 249 CO 0.39 0.12 -0.01 -0.63 0.02 0.00 0.00 176.35 176.24 1jgm s ILE 250 N -1.42 3.38 -0.39 -0.59 -1.09 0.62 -1.22 121.20 120.48 1jgm s ILE 250 Ca 0.37 -0.73 -0.19 0.00 -2.23 0.00 0.00 60.65 57.87 1jgm s ILE 250 Cb -0.15 -2.66 0.01 0.00 -1.58 0.00 0.00 42.46 38.08 1jgm s ILE 250 CO 0.19 0.25 0.54 -0.83 -1.23 0.00 0.00 174.94 173.86 1jgm s GLY 251 N 1.43 1.80 -0.96 6.18 0.00 -0.03 -1.41 107.32 114.33 1jgm s GLY 251 Ca 0.03 -1.18 -0.07 0.00 0.00 0.00 0.00 44.72 43.51 1jgm s GLY 251 CO -0.02 1.34 0.89 1.08 0.00 0.00 0.00 173.10 176.40 1jgm s LEU 252 N 2.49 6.04 0.00 0.66 1.43 0.19 -0.88 118.68 128.61 1jgm s LEU 252 Ca 0.19 -3.46 0.07 0.00 -1.03 0.00 0.00 54.13 49.90 1jgm s LEU 252 Cb -0.15 -2.08 0.18 0.00 0.03 0.00 0.00 46.19 44.17 1jgm s LEU 252 CO 0.15 -0.30 1.10 -0.90 0.23 0.00 0.00 176.35 176.64 1jgm n ASP 253 N 2.80 2.46 -0.75 2.29 3.85 -1.26 -1.93 116.55 124.01 1jgm n ASP 253 Ca 0.20 -1.89 0.07 0.00 -0.71 0.00 0.00 54.79 52.46 1jgm n ASP 253 Cb 0.39 -0.13 0.22 0.00 -1.35 0.00 0.00 41.12 40.26 1jgm n ASP 253 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 1jgm n HIS 254 N 0.20 0.74 -0.31 2.11 8.25 -1.25 -2.33 115.22 122.64 1jgm n HIS 254 Ca 0.07 -1.04 -0.01 0.00 -0.26 0.00 0.00 57.72 56.48 1jgm n HIS 254 Cb 0.34 -0.31 0.05 0.00 1.12 0.00 0.00 29.99 31.19 1jgm n HIS 254 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1jgm h ILE 255 N 1.26 0.09 -0.03 1.59 1.08 -1.80 0.27 117.51 119.96 1jgm h ILE 255 Ca 0.04 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 1jgm h ILE 255 Cb 1.38 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 35.22 1jgm h ILE 255 CO 0.20 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 176.85 1jgm n PRO 256 N -5.48 1.18 -2.47 2.37 -0.04 -1.26 -4.21 135.00 125.08 1jgm n PRO 256 Ca 0.09 -0.27 -0.43 0.00 -0.04 0.00 0.00 63.50 62.85 1jgm n PRO 256 Cb 0.40 -1.36 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 1jgm n PRO 256 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1jgm s HIS 257 N -1.96 2.53 -0.23 0.54 3.76 0.08 -4.83 115.29 115.18 1jgm s HIS 257 Ca 0.33 0.59 -0.18 0.00 -0.15 0.00 0.00 55.06 55.65 1jgm s HIS 257 Cb 0.16 -4.41 0.06 0.00 1.11 0.00 0.00 32.58 29.50 1jgm s HIS 257 CO 0.26 -1.70 0.60 0.45 -0.85 0.00 0.00 174.74 173.49 1jgm s SER 258 N 3.45 -0.69 -0.12 1.40 0.15 -1.24 -4.71 113.70 111.95 1jgm s SER 258 Ca 0.52 1.24 0.17 0.00 0.70 0.00 0.00 55.95 58.59 1jgm s SER 258 Cb -0.10 1.21 0.69 0.00 -1.71 0.00 0.00 66.02 66.11 1jgm s SER 258 CO 0.29 -0.21 1.60 0.00 1.20 0.00 0.00 173.24 176.12 1jgm n ALA 259 N 3.30 3.09 -1.78 5.45 0.00 0.68 -4.94 120.51 126.31 1jgm n ALA 259 Ca -0.16 -1.67 -0.42 0.00 0.00 0.00 0.00 53.44 51.19 1jgm n ALA 259 Cb 0.56 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 1jgm n ALA 259 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1jgm s ILE 260 N -1.96 2.89 0.00 0.00 1.01 -1.26 -0.01 121.20 121.87 1jgm s ILE 260 Ca 0.49 0.21 0.00 0.00 0.00 0.00 0.00 60.65 61.35 1jgm s ILE 260 Cb 0.33 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.66 1jgm s ILE 260 CO 0.22 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.76 1jgm n GLY 261 N 4.26 0.25 1.27 6.18 0.00 -1.26 -4.90 105.19 110.98 1jgm n GLY 261 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.21 1jgm n GLY 261 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jgm n LEU 262 N 0.00 2.30 -0.31 0.99 4.77 0.98 -4.85 117.00 120.89 1jgm n LEU 262 Ca 0.00 -3.29 0.21 0.00 -0.03 0.00 0.00 56.01 52.90 1jgm n LEU 262 Cb 0.00 -0.24 0.50 0.00 -2.33 0.00 0.00 43.42 41.34 1jgm n LEU 262 CO 0.00 1.16 1.22 -0.33 -1.33 0.00 0.00 177.39 178.10 1jgm h GLU 263 N 1.28 0.41 0.00 3.23 3.07 -1.90 0.26 114.58 120.93 1jgm h GLU 263 Ca -0.05 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1jgm h GLU 263 Cb 1.39 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.21 1jgm h GLU 263 CO 0.14 0.27 0.00 0.38 -1.40 0.00 0.00 179.01 178.40 1jgm h ASP 264 N 0.42 0.00 -3.40 1.42 3.04 -1.92 -3.39 116.42 112.59 1jgm h ASP 264 Ca 0.57 0.00 -0.76 0.00 -3.24 0.00 0.00 57.03 53.60 1jgm h ASP 264 Cb 1.39 0.00 -0.26 0.00 -1.04 0.00 0.00 39.33 39.42 1jgm h ASP 264 CO -0.28 0.00 -0.17 0.21 -2.04 0.00 0.00 179.24 176.97 1jgm s ASN 265 N -4.57 6.21 0.17 4.15 3.84 0.08 -4.95 114.94 119.87 1jgm s ASN 265 Ca -0.00 -2.14 -0.13 0.00 0.21 0.00 0.00 52.86 50.79 1jgm s ASN 265 Cb 0.09 -2.15 0.06 0.00 -0.55 0.00 0.00 41.25 38.70 1jgm s ASN 265 CO 0.35 -0.72 1.77 0.00 -2.79 0.00 0.00 177.10 175.72 1jgm h ALA 266 N 8.37 0.70 -0.73 1.71 0.00 -1.82 0.30 119.26 127.80 1jgm h ALA 266 Ca -0.15 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 1jgm h ALA 266 Cb 1.07 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1jgm h ALA 266 CO 0.90 0.23 0.20 0.66 0.00 0.00 0.00 179.25 181.24 1jgm h SER 267 N 0.74 1.08 -0.28 0.00 4.64 -1.95 -0.75 113.55 117.03 1jgm h SER 267 Ca 0.19 -0.22 -0.11 0.00 -0.47 0.00 0.00 61.79 61.18 1jgm h SER 267 Cb 0.06 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 1jgm h SER 267 CO -0.03 1.02 -0.24 0.00 -0.87 0.00 0.00 176.83 176.72 1jgm h ALA 268 N 1.10 0.41 -0.57 5.18 0.00 -1.87 -2.08 119.26 121.43 1jgm h ALA 268 Ca 0.23 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1jgm h ALA 268 Cb 0.35 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1jgm h ALA 268 CO -0.00 0.38 0.36 0.77 0.00 0.00 0.00 179.25 180.76 1jgm h SER 269 N 0.40 0.60 -0.81 0.00 0.02 -0.10 0.21 113.55 113.86 1jgm h SER 269 Ca 0.05 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 1jgm h SER 269 Cb 0.79 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.16 1jgm h SER 269 CO 0.06 0.42 0.36 0.00 -1.14 0.00 0.00 176.83 176.53 1jgm h ALA 270 N 1.24 1.10 -0.00 3.77 0.00 -1.08 -1.53 119.26 122.76 1jgm h ALA 270 Ca 0.22 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1jgm h ALA 270 Cb -0.02 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.46 1jgm h ALA 270 CO -0.08 0.66 -0.33 1.25 0.00 0.00 0.00 179.25 180.75 1jgm h LEU 271 N 1.17 0.29 0.00 0.00 5.85 -0.92 -3.38 115.31 118.31 1jgm h LEU 271 Ca 0.27 -0.78 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1jgm h LEU 271 Cb 0.16 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1jgm h LEU 271 CO -0.03 1.03 -0.89 0.18 -0.34 0.00 0.00 178.44 178.39 1jgm n LEU 272 N -4.44 0.66 0.00 2.25 4.77 0.02 -5.04 117.00 115.22 1jgm n LEU 272 Ca -0.10 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1jgm n LEU 272 Cb 0.54 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1jgm n LEU 272 CO 0.41 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1jgm n GLY 273 N 1.33 -1.41 0.17 -0.72 0.00 -0.58 -3.59 105.19 100.39 1jgm n GLY 273 Ca 0.02 -1.55 0.05 0.00 0.00 0.00 0.00 46.02 44.53 1jgm n GLY 273 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jgm n ILE 274 N -1.45 1.40 -3.35 -0.61 -5.35 -1.26 -0.23 119.36 108.50 1jgm n ILE 274 Ca 0.00 -1.49 -0.34 0.00 -0.27 0.00 0.00 62.75 60.65 1jgm n ILE 274 Cb 0.00 0.20 -0.06 0.00 -1.74 0.00 0.00 39.64 38.04 1jgm n ILE 274 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1jgm s ARG 275 N -1.76 3.95 0.75 6.28 0.52 -1.26 -4.75 118.95 122.67 1jgm s ARG 275 Ca 0.17 0.46 -0.12 0.00 -0.52 0.00 0.00 55.73 55.72 1jgm s ARG 275 Cb 0.13 -2.83 0.04 0.00 0.52 0.00 0.00 34.95 32.81 1jgm s ARG 275 CO 0.04 0.42 1.11 -1.54 0.02 0.00 0.00 175.30 175.35 1jgm s SER 276 N -1.90 5.04 0.33 0.23 1.04 -1.26 -4.59 113.70 112.60 1jgm s SER 276 Ca 0.41 1.09 0.09 0.00 0.48 0.00 0.00 55.95 58.02 1jgm s SER 276 Cb -0.14 -1.82 0.59 0.00 0.10 0.00 0.00 66.02 64.76 1jgm s SER 276 CO 0.20 -1.60 1.78 4.11 0.98 0.00 0.00 173.24 178.71 1jgm h TRP 277 N -0.83 0.21 -0.58 5.02 5.08 -1.88 -2.19 115.95 120.78 1jgm h TRP 277 Ca -0.46 -0.05 -0.09 0.00 1.08 0.00 0.00 58.89 59.37 1jgm h TRP 277 Cb 1.27 -0.05 -0.02 0.00 -3.00 0.00 0.00 29.16 27.36 1jgm h TRP 277 CO 0.45 0.50 -0.01 1.96 -1.28 0.00 0.00 178.44 180.07 1jgm h GLN 278 N 0.16 1.01 -0.68 0.12 7.50 -1.93 0.58 115.11 121.88 1jgm h GLN 278 Ca 0.02 -0.32 -0.03 0.00 0.50 0.00 0.00 58.65 58.82 1jgm h GLN 278 Cb 0.67 -0.10 -0.03 0.00 0.05 0.00 0.00 27.48 28.08 1jgm h GLN 278 CO 0.05 1.00 0.30 1.15 -1.50 0.00 0.00 178.83 179.83 1jgm h THR 279 N 0.93 1.23 -0.35 -0.54 2.02 -1.84 -0.33 112.91 114.03 1jgm h THR 279 Ca 0.17 -0.70 -0.16 0.00 0.77 0.00 0.00 66.41 66.49 1jgm h THR 279 Cb 0.55 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1jgm h THR 279 CO 0.03 0.28 -0.40 0.03 0.37 0.00 0.00 175.52 175.83 1jgm h ARG 280 N 0.95 0.89 -0.39 6.66 3.08 -1.01 -3.05 114.38 121.51 1jgm h ARG 280 Ca 0.23 -0.49 -0.03 0.00 0.07 0.00 0.00 59.98 59.76 1jgm h ARG 280 Cb 0.16 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1jgm h ARG 280 CO -0.02 1.14 0.14 0.00 -1.07 0.00 0.00 179.97 180.15 1jgm h ALA 281 N 0.74 1.51 0.00 0.04 0.00 -0.60 -1.58 119.26 119.36 1jgm h ALA 281 Ca 0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1jgm h ALA 281 Cb 1.00 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1jgm h ALA 281 CO 0.10 0.38 -0.02 -0.07 0.00 0.00 0.00 179.25 179.63 1jgm h LEU 282 N 0.56 0.00 -1.25 0.00 3.38 -0.95 0.07 115.31 117.12 1jgm h LEU 282 Ca 0.14 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1jgm h LEU 282 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1jgm h LEU 282 CO -0.01 0.02 -0.34 -0.07 0.09 0.00 0.00 178.44 178.13 1jgm h LEU 283 N 0.00 0.00 -0.16 1.67 3.38 -1.31 0.75 115.31 119.63 1jgm h LEU 283 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1jgm h LEU 283 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1jgm h LEU 283 CO 0.00 0.34 0.03 0.40 0.09 0.00 0.00 178.44 179.30 1jgm h ILE 284 N 0.00 1.22 -0.83 1.22 2.04 -1.08 -0.63 117.51 119.45 1jgm h ILE 284 Ca -0.00 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.13 1jgm h ILE 284 Cb 0.70 1.39 -0.04 0.00 -0.74 0.00 0.00 36.82 38.13 1jgm h ILE 284 CO 0.04 0.22 0.52 0.50 0.00 0.00 0.00 178.15 179.43 1jgm h LYS 285 N 0.06 1.11 -0.41 2.37 3.64 -1.37 -1.48 116.57 120.49 1jgm h LYS 285 Ca 0.05 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1jgm h LYS 285 Cb 0.31 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1jgm h LYS 285 CO 0.00 0.76 0.27 0.00 -2.27 0.00 0.00 179.45 178.21 1jgm h ALA 286 N 1.28 0.52 -0.33 5.00 0.00 -0.58 0.14 119.26 125.29 1jgm h ALA 286 Ca 0.30 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 1jgm h ALA 286 Cb -0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1jgm h ALA 286 CO -0.06 -0.04 -0.13 -0.07 0.00 0.00 0.00 179.25 178.96 1jgm h LEU 287 N 0.54 0.55 -0.18 0.00 3.38 -0.80 -1.78 115.31 117.03 1jgm h LEU 287 Ca 0.15 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1jgm h LEU 287 Cb -0.05 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1jgm h LEU 287 CO -0.04 0.71 0.02 0.40 0.09 0.00 0.00 178.44 179.63 1jgm h ILE 288 N 0.52 1.23 0.00 1.22 2.04 -0.66 -0.10 117.51 121.76 1jgm h ILE 288 Ca 0.09 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 1jgm h ILE 288 Cb 0.53 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1jgm h ILE 288 CO 0.03 0.23 -0.03 0.44 0.00 0.00 0.00 178.15 178.82 1jgm h ASP 289 N 0.09 0.00 -0.22 1.72 3.45 -0.37 0.16 116.42 121.24 1jgm h ASP 289 Ca 0.06 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.52 1jgm h ASP 289 Cb 0.32 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.09 1jgm h ASP 289 CO 0.00 0.03 0.00 0.00 -1.57 0.00 0.00 179.24 177.70 1jgm n GLN 290 N -3.80 1.82 -0.50 3.56 1.13 -0.70 -4.91 117.38 113.98 1jgm n GLN 290 Ca -0.03 -1.24 0.00 0.00 -1.94 0.00 0.00 57.00 53.79 1jgm n GLN 290 Cb 0.12 -1.38 0.00 0.00 0.11 0.00 0.00 30.24 29.08 1jgm n GLN 290 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jgm n GLY 291 N 1.15 0.73 1.57 1.08 0.00 0.04 -5.00 105.19 104.77 1jgm n GLY 291 Ca 0.16 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 1jgm n GLY 291 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jgm n TYR 292 N -2.50 1.86 -0.13 1.61 4.01 -0.08 -4.68 117.16 117.26 1jgm n TYR 292 Ca 0.00 -1.62 0.18 0.00 -0.16 0.00 0.00 57.90 56.30 1jgm n TYR 292 Cb 0.00 -0.65 0.58 0.00 -0.31 0.00 0.00 39.34 38.96 1jgm n TYR 292 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jgm h MET 293 N 1.16 0.25 0.00 -0.72 -0.00 -1.78 0.14 114.93 113.98 1jgm h MET 293 Ca 0.36 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 60.04 1jgm h MET 293 Cb 2.11 -0.06 0.00 0.00 -0.00 0.00 0.00 31.60 33.66 1jgm h MET 293 CO 0.65 0.16 0.00 1.63 -0.00 0.00 0.00 176.91 179.36 1jgm n LYS 294 N -4.43 0.50 -0.21 -0.10 5.02 -1.26 -3.12 118.16 114.55 1jgm n LYS 294 Ca 0.14 0.04 0.06 0.00 -2.02 0.00 0.00 58.31 56.53 1jgm n LYS 294 Cb 0.61 -1.50 0.15 0.00 -0.02 0.00 0.00 35.03 34.27 1jgm n LYS 294 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1jgm n GLN 295 N -1.19 2.76 -3.94 1.97 3.00 0.50 -4.89 117.38 115.60 1jgm n GLN 295 Ca 0.14 -2.22 -0.36 0.00 -0.01 0.00 0.00 57.00 54.55 1jgm n GLN 295 Cb 0.15 -1.40 -0.08 0.00 0.00 0.00 0.00 30.24 28.91 1jgm n GLN 295 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1jgm s ILE 296 N -1.68 5.18 -0.07 5.09 1.01 -1.18 -0.28 121.20 129.26 1jgm s ILE 296 Ca 0.25 0.09 0.03 0.00 0.00 0.00 0.00 60.65 61.03 1jgm s ILE 296 Cb 0.18 -3.29 0.01 0.00 0.01 0.00 0.00 42.46 39.36 1jgm s ILE 296 CO 0.10 0.54 -0.17 -0.76 0.00 0.00 0.00 174.94 174.65 1jgm s LEU 297 N -0.39 1.85 0.04 2.97 1.43 -0.50 -4.85 118.68 119.23 1jgm s LEU 297 Ca 0.11 -0.40 0.08 0.00 -1.03 0.00 0.00 54.13 52.88 1jgm s LEU 297 Cb -0.12 -1.06 -0.03 0.00 0.03 0.00 0.00 46.19 45.01 1jgm s LEU 297 CO 0.01 0.10 -0.21 -0.69 0.23 0.00 0.00 176.35 175.79 1jgm s VAL 298 N 0.44 2.53 0.36 -1.59 1.01 -1.26 -0.64 120.40 121.26 1jgm s VAL 298 Ca -0.14 -1.27 -0.12 0.00 0.00 0.00 0.00 61.98 60.45 1jgm s VAL 298 Cb -0.16 -2.04 0.05 0.00 0.00 0.00 0.00 36.38 34.23 1jgm s VAL 298 CO 0.05 0.35 0.69 -0.24 0.00 0.00 0.00 175.10 175.96 1jgm n SER 299 N 1.64 -2.01 -0.00 3.32 2.88 -0.81 -3.90 113.62 114.73 1jgm n SER 299 Ca -0.16 -2.53 0.05 0.00 -1.33 0.00 0.00 58.87 54.89 1jgm n SER 299 Cb 0.52 3.39 -0.07 0.00 -0.75 0.00 0.00 64.21 67.30 1jgm n SER 299 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1jgm n ASN 300 N -1.52 2.66 -3.58 -3.46 3.02 -1.23 -3.86 115.26 107.29 1jgm n ASN 300 Ca -0.07 -0.07 -0.21 0.00 -0.03 0.00 0.00 54.58 54.20 1jgm n ASN 300 Cb 0.55 1.37 0.07 0.00 -0.61 0.00 0.00 39.78 41.16 1jgm n ASN 300 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1jgm n ASP 301 N -1.75 -2.73 -4.83 6.41 4.64 -0.65 -4.62 116.55 113.01 1jgm n ASP 301 Ca -0.01 -0.68 -0.22 0.00 -1.38 0.00 0.00 54.79 52.50 1jgm n ASP 301 Cb 0.23 -4.68 0.07 0.00 -1.04 0.00 0.00 41.12 35.70 1jgm n ASP 301 CO 0.00 0.00 0.00 0.86 -0.82 0.00 0.00 177.20 177.24 1jgm s TRP 302 N -3.44 2.08 0.13 -0.67 -0.11 -1.26 -4.90 118.94 110.77 1jgm s TRP 302 Ca 0.16 -0.23 -0.25 0.00 1.22 0.00 0.00 56.10 57.00 1jgm s TRP 302 Cb -0.07 -2.81 0.07 0.00 -1.50 0.00 0.00 33.47 29.16 1jgm s TRP 302 CO 0.76 -1.31 0.79 -0.51 -4.62 0.00 0.00 176.95 172.06 1jgm s LEU 303 N -4.93 -0.36 -0.02 5.86 1.02 -1.24 -1.23 118.68 117.78 1jgm s LEU 303 Ca 0.62 -0.21 0.15 0.00 0.02 0.00 0.00 54.13 54.71 1jgm s LEU 303 Cb -0.07 2.36 -0.23 0.00 0.02 0.00 0.00 46.19 48.26 1jgm s LEU 303 CO 0.41 -0.92 0.33 0.49 0.02 0.00 0.00 176.35 176.68 1jgm n PHE 304 N -0.38 0.00 -3.92 0.29 3.72 0.13 -4.98 117.46 112.33 1jgm n PHE 304 Ca -0.10 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.20 1jgm n PHE 304 Cb 0.62 -0.33 -0.11 0.00 -0.94 0.00 0.00 39.48 38.71 1jgm n PHE 304 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1jgm s GLY 305 N -3.69 0.12 -0.30 1.37 0.00 -1.20 -4.94 107.32 98.68 1jgm s GLY 305 Ca -0.05 -0.28 0.03 0.00 0.00 0.00 0.00 44.72 44.42 1jgm s GLY 305 CO 0.61 -0.35 0.44 -0.12 0.00 0.00 0.00 173.10 173.69 1jgm s PHE 306 N -1.03 -1.13 -0.74 1.90 5.36 -1.25 -1.06 117.98 120.03 1jgm s PHE 306 Ca -0.11 0.39 0.19 0.00 -0.96 0.00 0.00 56.93 56.43 1jgm s PHE 306 Cb -0.07 -0.09 -0.22 0.00 -0.34 0.00 0.00 43.02 42.31 1jgm s PHE 306 CO -0.00 -1.01 0.73 -1.13 -1.46 0.00 0.00 175.22 172.35 1jgm n SER 307 N 5.31 0.83 -0.38 6.13 3.41 0.78 -4.48 113.62 125.22 1jgm n SER 307 Ca 0.02 -0.78 0.00 0.00 -0.26 0.00 0.00 58.87 57.85 1jgm n SER 307 Cb 0.50 1.15 0.00 0.00 -0.26 0.00 0.00 64.21 65.60 1jgm n SER 307 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1jgm n SER 308 N -1.56 0.74 -0.37 4.04 3.41 -1.21 -4.82 113.62 113.84 1jgm n SER 308 Ca 0.02 -1.96 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 1jgm n SER 308 Cb 0.33 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1jgm n SER 308 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jgm n TYR 309 N -0.12 -0.05 -1.83 7.33 9.36 -1.26 -5.08 117.16 125.51 1jgm n TYR 309 Ca 0.00 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.87 1jgm n TYR 309 Cb 0.18 0.00 0.05 0.00 -0.63 0.00 0.00 39.34 38.94 1jgm n TYR 309 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 1jgm s VAL 310 N -1.61 2.69 0.37 2.97 -7.23 -1.26 -4.92 120.40 111.39 1jgm s VAL 310 Ca 0.00 0.38 -0.28 0.00 -1.81 0.00 0.00 61.98 60.27 1jgm s VAL 310 Cb 0.00 -3.04 -0.10 0.00 0.56 0.00 0.00 36.38 33.80 1jgm s VAL 310 CO 0.00 -0.14 1.38 -0.89 -0.31 0.00 0.00 175.10 175.14 1jgm s THR 311 N -1.84 2.43 0.00 5.32 2.01 -1.26 -2.27 115.64 120.03 1jgm s THR 311 Ca 0.74 0.42 0.00 0.00 0.31 0.00 0.00 61.69 63.17 1jgm s THR 311 Cb -0.28 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 68.97 1jgm s THR 311 CO 0.37 0.09 0.00 0.59 -0.69 0.00 0.00 174.62 174.99 1jgm n ASN 312 N 0.52 0.00 -0.01 3.53 5.03 -1.26 -4.89 115.26 118.18 1jgm n ASN 312 Ca 0.01 0.00 0.04 0.00 0.87 0.00 0.00 54.58 55.50 1jgm n ASN 312 Cb 0.41 0.00 0.41 0.00 -1.02 0.00 0.00 39.78 39.58 1jgm n ASN 312 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 1jgm h ILE 313 N 0.00 1.12 -0.27 2.41 6.09 -1.77 -2.41 117.51 122.68 1jgm h ILE 313 Ca 0.00 -0.23 0.02 0.00 -1.37 0.00 0.00 64.86 63.28 1jgm h ILE 313 Cb 0.00 0.50 -0.02 0.00 0.47 0.00 0.00 36.82 37.76 1jgm h ILE 313 CO 0.00 0.11 0.13 -0.03 -3.07 0.00 0.00 178.15 175.29 1jgm h MET 314 N 0.58 0.26 -0.71 2.19 4.05 -1.84 -0.13 114.93 119.34 1jgm h MET 314 Ca 0.16 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.52 1jgm h MET 314 Cb -0.05 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.66 1jgm h MET 314 CO -0.03 0.17 0.27 -0.44 0.23 0.00 0.00 176.91 177.11 1jgm h ASP 315 N 0.27 0.96 -0.32 1.39 3.45 -1.86 -0.36 116.42 119.96 1jgm h ASP 315 Ca 0.11 -0.14 -0.01 0.00 0.43 0.00 0.00 57.03 57.42 1jgm h ASP 315 Cb 0.04 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.55 1jgm h ASP 315 CO -0.08 0.86 0.15 0.58 -1.57 0.00 0.00 179.24 179.18 1jgm h VAL 316 N 1.02 1.16 -0.47 -1.35 2.07 -1.03 -2.31 116.25 115.34 1jgm h VAL 316 Ca 0.24 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1jgm h VAL 316 Cb 0.21 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1jgm h VAL 316 CO -0.02 0.17 0.29 0.24 0.02 0.00 0.00 177.57 178.27 1jgm h MET 317 N 0.38 0.63 0.00 1.57 2.86 -0.61 -1.81 114.93 117.96 1jgm h MET 317 Ca 0.11 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 1jgm h MET 317 Cb 0.13 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 1jgm h MET 317 CO -0.01 0.45 -0.09 -0.44 1.06 0.00 0.00 176.91 177.87 1jgm h ASP 318 N 0.63 0.00 0.00 1.22 3.45 -0.95 0.38 116.42 121.15 1jgm h ASP 318 Ca 0.17 0.00 -0.24 0.00 0.43 0.00 0.00 57.03 57.39 1jgm h ASP 318 Cb -0.03 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.75 1jgm h ASP 318 CO -0.03 0.09 -0.88 0.03 -1.57 0.00 0.00 179.24 176.87 1jgm h ARG 319 N 0.00 0.68 -0.36 3.56 3.08 -0.95 -2.50 114.38 117.89 1jgm h ARG 319 Ca -0.00 -0.63 -0.04 0.00 0.07 0.00 0.00 59.98 59.38 1jgm h ARG 319 Cb 0.16 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1jgm h ARG 319 CO 0.01 1.23 0.06 0.28 -1.07 0.00 0.00 179.97 180.49 1jgm h VAL 320 N 0.43 1.24 -2.70 2.04 2.07 -0.54 -3.38 116.25 115.40 1jgm h VAL 320 Ca -0.08 -0.83 -0.60 0.00 0.82 0.00 0.00 66.70 66.01 1jgm h VAL 320 Cb 1.52 1.09 -0.40 0.00 -1.52 0.00 0.00 31.29 31.98 1jgm h VAL 320 CO 0.17 0.28 -0.81 0.21 0.02 0.00 0.00 177.57 177.45 1jgm s ASN 321 N -6.00 2.91 0.55 0.57 2.47 0.05 -4.96 114.94 110.53 1jgm s ASN 321 Ca -0.13 -3.19 0.23 0.00 0.42 0.00 0.00 52.86 50.19 1jgm s ASN 321 Cb 0.09 -0.90 1.54 0.00 -1.45 0.00 0.00 41.25 40.54 1jgm s ASN 321 CO 0.76 -0.17 2.20 -0.65 -3.72 0.00 0.00 177.10 175.53 1jgm h PRO 322 N 5.81 0.00 0.00 0.43 0.11 -1.64 -0.61 132.00 136.11 1jgm h PRO 322 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1jgm h PRO 322 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1jgm h PRO 322 CO 0.49 0.01 0.00 -0.44 -0.21 0.00 0.00 178.00 177.85 1jgm h ASP 323 N 0.00 0.00 0.00 -2.05 3.45 -1.93 -3.48 116.42 112.41 1jgm h ASP 323 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1jgm h ASP 323 Cb 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.78 1jgm h ASP 323 CO 0.00 0.00 0.00 0.61 -1.57 0.00 0.00 179.24 178.28 1jgm n GLY 324 N 0.13 3.21 0.32 2.75 0.00 -0.24 -0.96 105.19 110.40 1jgm n GLY 324 Ca 0.01 -0.06 0.21 0.00 0.00 0.00 0.00 46.02 46.19 1jgm n GLY 324 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1jgm h MET 325 N 0.00 0.00 0.00 1.61 2.86 -1.90 -1.84 114.93 115.66 1jgm h MET 325 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1jgm h MET 325 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1jgm h MET 325 CO 0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 1jgm n ALA 326 N -2.09 2.52 -0.25 6.32 0.00 -0.13 -3.91 120.51 122.97 1jgm n ALA 326 Ca -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 53.44 53.24 1jgm n ALA 326 Cb 0.16 -1.47 0.10 0.00 0.00 0.00 0.00 19.45 18.24 1jgm n ALA 326 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1jgm h PHE 327 N 0.00 0.77 0.52 0.00 3.57 -1.41 0.08 116.94 120.47 1jgm h PHE 327 Ca 0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1jgm h PHE 327 Cb 0.11 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 1jgm h PHE 327 CO 0.00 0.39 -0.43 0.82 -2.23 0.00 0.00 178.31 176.86 1jgm h ILE 328 N 0.77 0.14 -0.09 1.41 1.08 -1.82 0.87 117.51 119.87 1jgm h ILE 328 Ca 0.31 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.65 1jgm h ILE 328 Cb 0.15 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 34.03 1jgm h ILE 328 CO -0.16 0.00 -0.50 1.55 -0.69 0.00 0.00 178.15 178.35 1jgm h PRO 329 N -0.94 0.24 0.00 2.37 0.13 -1.81 -1.05 132.00 130.95 1jgm h PRO 329 Ca -0.06 -0.13 -0.23 0.00 -0.87 0.00 0.00 66.00 64.71 1jgm h PRO 329 Cb 0.80 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.90 1jgm h PRO 329 CO -0.01 0.68 -1.15 -0.07 -0.23 0.00 0.00 178.00 177.23 1jgm h LEU 330 N 0.19 0.01 0.00 1.56 3.38 -0.90 -3.40 115.31 116.15 1jgm h LEU 330 Ca 0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1jgm h LEU 330 Cb 0.95 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1jgm h LEU 330 CO 0.08 1.01 -1.03 0.54 0.09 0.00 0.00 178.44 179.13 1jgm n ARG 331 N -3.30 0.01 -0.06 1.13 5.12 0.26 -4.70 116.66 115.13 1jgm n ARG 331 Ca -0.04 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.77 1jgm n ARG 331 Cb 0.96 -0.82 -0.06 0.00 -1.16 0.00 0.00 32.46 31.39 1jgm n ARG 331 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1jgm h VAL 332 N -0.01 1.30 -0.30 1.55 2.07 -0.98 -2.00 116.25 117.88 1jgm h VAL 332 Ca -0.01 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.45 1jgm h VAL 332 Cb 1.02 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1jgm h VAL 332 CO -0.01 0.32 0.18 0.40 0.02 0.00 0.00 177.57 178.48 1jgm h ILE 333 N 0.05 1.04 -0.64 4.57 1.08 -1.43 -0.79 117.51 121.40 1jgm h ILE 333 Ca 0.04 -0.13 -0.03 0.00 -0.39 0.00 0.00 64.86 64.35 1jgm h ILE 333 Cb 0.52 0.64 -0.03 0.00 -3.07 0.00 0.00 36.82 34.88 1jgm h ILE 333 CO 0.02 0.07 0.27 -0.65 -0.69 0.00 0.00 178.15 177.17 1jgm h PRO 334 N 0.37 0.93 -0.38 2.37 0.11 -1.79 -0.62 132.00 132.99 1jgm h PRO 334 Ca 0.12 -0.14 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 1jgm h PRO 334 Cb -0.01 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 30.92 1jgm h PRO 334 CO -0.05 0.74 0.19 0.35 -0.21 0.00 0.00 178.00 179.02 1jgm h PHE 335 N 0.91 0.54 -0.67 0.65 3.04 -0.80 -0.88 116.94 119.72 1jgm h PHE 335 Ca 0.22 -0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.10 1jgm h PHE 335 Cb 0.15 -0.17 -0.03 0.00 2.56 0.00 0.00 35.95 38.46 1jgm h PHE 335 CO 0.01 0.44 0.24 -0.07 -2.02 0.00 0.00 178.31 176.91 1jgm h LEU 336 N 0.48 0.95 -0.67 0.59 3.38 -0.72 -1.48 115.31 117.84 1jgm h LEU 336 Ca 0.13 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1jgm h LEU 336 Cb 0.10 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1jgm h LEU 336 CO -0.02 0.89 0.45 -0.09 0.09 0.00 0.00 178.44 179.76 1jgm h ARG 337 N 0.97 0.88 -0.25 1.13 2.43 -0.85 -0.71 114.38 117.98 1jgm h ARG 337 Ca 0.22 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1jgm h ARG 337 Cb 0.25 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1jgm h ARG 337 CO -0.01 0.58 0.06 0.93 -1.51 0.00 0.00 179.97 180.02 1jgm h GLU 338 N 0.91 0.35 -0.02 0.20 5.08 -0.65 -0.12 114.58 120.32 1jgm h GLU 338 Ca 0.25 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1jgm h GLU 338 Cb -0.10 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.09 1jgm h GLU 338 CO -0.06 0.33 0.00 1.63 -1.00 0.00 0.00 179.01 179.91 1jgm n LYS 339 N -4.39 1.07 0.00 2.33 4.76 -0.60 -4.89 118.16 116.44 1jgm n LYS 339 Ca 0.01 -0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 1jgm n LYS 339 Cb 0.16 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 1jgm n LYS 339 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jgm n GLY 340 N 0.80 0.50 3.70 0.72 0.00 -0.06 -5.06 105.19 105.79 1jgm n GLY 340 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1jgm n GLY 340 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jgm s VAL 341 N -2.00 4.09 0.55 1.61 1.01 -0.37 -4.97 120.40 120.32 1jgm s VAL 341 Ca 0.00 1.47 -0.18 0.00 0.00 0.00 0.00 61.98 63.27 1jgm s VAL 341 Cb 0.00 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 1jgm s VAL 341 CO 0.00 0.05 1.08 -2.16 0.00 0.00 0.00 175.10 174.08 1jgm s PRO 342 N 1.69 3.41 0.18 2.72 0.04 -1.26 -4.19 135.00 137.59 1jgm s PRO 342 Ca 0.58 1.42 -0.25 0.00 0.04 0.00 0.00 61.00 62.79 1jgm s PRO 342 Cb -0.28 -2.03 0.05 0.00 0.04 0.00 0.00 34.50 32.28 1jgm s PRO 342 CO 0.26 -0.77 1.52 0.94 0.04 0.00 0.00 177.00 178.99 1jgm n GLN 343 N -1.50 -0.35 -0.08 4.56 -0.06 -1.26 -0.66 117.38 118.02 1jgm n GLN 343 Ca 0.10 1.49 0.13 0.00 -2.00 0.00 0.00 57.00 56.72 1jgm n GLN 343 Cb 0.52 -2.20 0.52 0.00 -4.06 0.00 0.00 30.24 25.01 1jgm n GLN 343 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 1jgm h GLU 344 N 0.00 0.36 0.03 3.69 4.39 -1.99 0.65 114.58 121.71 1jgm h GLU 344 Ca 0.23 -0.02 -0.27 0.00 0.34 0.00 0.00 59.36 59.64 1jgm h GLU 344 Cb 0.47 -0.08 0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1jgm h GLU 344 CO -0.94 0.24 -1.08 1.15 -1.16 0.00 0.00 179.01 177.21 1jgm h THR 345 N 0.37 1.30 -0.68 1.13 2.02 -1.26 -1.88 112.91 113.92 1jgm h THR 345 Ca 0.28 -2.33 -0.06 0.00 0.77 0.00 0.00 66.41 65.08 1jgm h THR 345 Cb 0.61 2.46 -0.03 0.00 -1.74 0.00 0.00 68.15 69.45 1jgm h THR 345 CO -0.08 0.71 0.19 -0.07 0.37 0.00 0.00 175.52 176.65 1jgm h LEU 346 N 0.35 0.99 -0.62 2.58 3.38 -0.11 -1.15 115.31 120.73 1jgm h LEU 346 Ca -0.14 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.51 1jgm h LEU 346 Cb 1.74 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 1jgm h LEU 346 CO 0.21 0.94 -0.29 0.00 0.09 0.00 0.00 178.44 179.39 1jgm h ALA 347 N 1.19 0.81 -0.57 1.53 0.00 -0.94 -2.07 119.26 119.21 1jgm h ALA 347 Ca 0.22 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1jgm h ALA 347 Cb 0.32 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1jgm h ALA 347 CO -0.00 0.65 0.13 0.78 0.00 0.00 0.00 179.25 180.80 1jgm h GLY 348 N 0.95 0.98 1.04 0.00 0.00 -0.97 0.39 103.07 105.46 1jgm h GLY 348 Ca 0.08 -0.62 -0.12 0.00 0.00 0.00 0.00 47.33 46.67 1jgm h GLY 348 CO 0.07 0.58 -0.19 -2.22 0.00 0.00 0.00 176.54 174.77 1jgm h ILE 349 N 0.81 1.28 0.00 2.60 2.04 -1.11 0.16 117.51 123.29 1jgm h ILE 349 Ca 0.18 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.70 1jgm h ILE 349 Cb 0.36 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1jgm h ILE 349 CO 0.00 0.45 -0.51 0.71 0.00 0.00 0.00 178.15 178.80 1jgm h THR 350 N 0.67 0.00 0.00 -0.27 1.35 -1.30 -3.38 112.91 109.99 1jgm h THR 350 Ca 0.09 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 1jgm h THR 350 Cb 0.75 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 1jgm h THR 350 CO 0.06 0.00 -0.11 0.52 -0.25 0.00 0.00 175.52 175.74 1jgm n VAL 351 N -2.65 1.25 0.13 6.82 0.31 0.12 -1.43 118.33 122.88 1jgm n VAL 351 Ca 0.02 0.38 -0.14 0.00 -0.01 0.00 0.00 64.34 64.59 1jgm n VAL 351 Cb 0.51 -1.67 -0.08 0.00 -0.91 0.00 0.00 33.84 31.70 1jgm n VAL 351 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1jgm h THR 352 N -0.11 0.84 -0.26 2.52 2.02 -1.28 -2.23 112.91 114.41 1jgm h THR 352 Ca 0.00 -0.15 0.05 0.00 0.77 0.00 0.00 66.41 67.08 1jgm h THR 352 Cb 0.11 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 1jgm h THR 352 CO 0.00 0.03 -0.01 0.78 0.37 0.00 0.00 175.52 176.69 1jgm h ASN 353 N -0.33 -0.12 -0.81 4.18 2.35 -0.89 -0.94 115.58 119.01 1jgm h ASN 353 Ca -0.03 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1jgm h ASN 353 Cb 0.25 0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.70 1jgm h ASN 353 CO 0.04 -0.03 0.42 -0.65 -1.65 0.00 0.00 177.43 175.56 1jgm h PRO 354 N 0.07 1.16 -0.31 0.81 0.11 -1.74 -0.96 132.00 131.14 1jgm h PRO 354 Ca 0.12 -0.15 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1jgm h PRO 354 Cb 0.17 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 1jgm h PRO 354 CO -0.22 0.87 0.18 0.00 -0.21 0.00 0.00 178.00 178.62 1jgm h ALA 355 N 1.30 0.39 -0.78 -0.75 0.00 -0.87 0.77 119.26 119.32 1jgm h ALA 355 Ca 0.29 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1jgm h ALA 355 Cb 0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1jgm h ALA 355 CO -0.04 -0.09 0.44 -0.09 0.00 0.00 0.00 179.25 179.47 1jgm h ARG 356 N 0.39 1.08 -0.09 0.00 2.43 -0.90 0.37 114.38 117.66 1jgm h ARG 356 Ca 0.11 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1jgm h ARG 356 Cb 0.04 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1jgm h ARG 356 CO -0.02 0.79 -0.05 0.35 -1.51 0.00 0.00 179.97 179.52 1jgm h PHE 357 N 1.08 0.22 0.00 2.20 3.57 -0.97 -3.25 116.94 119.79 1jgm h PHE 357 Ca 0.28 -0.06 -0.11 0.00 3.53 0.00 0.00 57.97 61.61 1jgm h PHE 357 Cb 0.01 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 1jgm h PHE 357 CO -0.00 0.57 -0.51 -0.07 -2.23 0.00 0.00 178.31 176.06 1jgm h LEU 358 N -0.19 0.00 -9.37 0.59 3.38 -0.75 -3.40 115.31 105.57 1jgm h LEU 358 Ca 0.02 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.43 1jgm h LEU 358 Cb 0.52 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.29 1jgm h LEU 358 CO 0.01 0.51 1.15 -0.24 0.09 0.00 0.00 178.44 179.97 1jgm n SER 359 N -3.73 3.89 -4.71 -0.43 2.88 0.11 -4.79 113.62 106.84 1jgm n SER 359 Ca -0.01 0.95 -0.43 0.00 -1.33 0.00 0.00 58.87 58.05 1jgm n SER 359 Cb 0.56 -1.48 -0.03 0.00 -0.75 0.00 0.00 64.21 62.51 1jgm n SER 359 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1jgm n PRO 360 N 6.74 2.73 -3.68 -1.46 -0.02 -1.26 -4.84 135.00 133.22 1jgm n PRO 360 Ca 0.20 0.99 -0.24 0.00 -2.02 0.00 0.00 63.50 62.43 1jgm n PRO 360 Cb 0.36 -2.84 -0.17 0.00 -0.02 0.00 0.00 33.50 30.83 1jgm n PRO 360 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1jgm s THR 361 N 1.68 0.11 0.46 3.45 2.01 -0.10 -1.87 115.64 121.39 1jgm s THR 361 Ca 0.78 -0.06 -0.12 0.00 0.31 0.00 0.00 61.69 62.60 1jgm s THR 361 Cb -0.51 -0.56 -0.07 0.00 0.01 0.00 0.00 72.50 71.37 1jgm s THR 361 CO 0.34 -0.06 0.86 -0.76 -0.69 0.00 0.00 174.62 174.31 1jgm s LEU 362 N 2.06 3.71 0.38 4.42 1.43 -1.26 -4.42 118.68 125.00 1jgm s LEU 362 Ca 0.03 1.29 -0.26 0.00 -1.03 0.00 0.00 54.13 54.15 1jgm s LEU 362 Cb -0.15 -4.21 -0.09 0.00 0.03 0.00 0.00 46.19 41.78 1jgm s LEU 362 CO -0.07 -0.51 1.21 -0.60 0.23 0.00 0.00 176.35 176.62 1jgm s ARG 363 N -4.06 4.14 0.76 1.70 3.52 -1.26 -4.96 118.95 118.78 1jgm s ARG 363 Ca 0.54 1.96 -0.14 0.00 -0.13 0.00 0.00 55.73 57.95 1jgm s ARG 363 Cb -0.10 -2.80 0.05 0.00 -1.56 0.00 0.00 34.95 30.54 1jgm s ARG 363 CO 0.34 -0.28 1.21 0.00 -0.81 0.00 0.00 175.30 175.76 1jgm s ALA 364 N -1.31 2.02 -2.00 6.12 0.00 -1.26 -5.20 121.76 120.13 1jgm s ALA 364 Ca 0.55 0.89 0.17 0.00 0.00 0.00 0.00 51.96 53.57 1jgm s ALA 364 Cb -0.34 -3.49 1.00 0.00 0.00 0.00 0.00 23.12 20.30 1jgm s ALA 364 CO 0.43 -2.03 1.41 0.45 0.00 0.00 0.00 175.76 176.02