#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mh3 s PRO 6 N 0.00 2.12 -0.12 2.89 0.05 -1.26 -5.10 135.00 133.58 3mh3 s PRO 6 Ca 0.00 -1.62 -0.05 0.00 0.05 0.00 0.00 61.00 59.38 3mh3 s PRO 6 Cb 0.00 -2.58 -0.04 0.00 0.05 0.00 0.00 34.50 31.93 3mh3 s PRO 6 CO 0.00 -1.05 0.07 0.95 0.05 0.00 0.00 177.00 177.03 3mh3 s THR 7 N -2.79 4.92 0.17 1.26 -4.23 -1.26 -5.01 115.64 108.71 3mh3 s THR 7 Ca 0.64 -0.01 0.06 0.00 -1.18 0.00 0.00 61.69 61.20 3mh3 s THR 7 Cb -0.05 -3.14 -0.04 0.00 1.34 0.00 0.00 72.50 70.62 3mh3 s THR 7 CO 0.41 0.58 0.09 -0.36 -0.54 0.00 0.00 174.62 174.80 3mh3 s PHE 8 N -0.67 3.04 0.10 3.99 0.40 -1.26 -1.20 117.98 122.38 3mh3 s PHE 8 Ca 0.12 -0.06 0.07 0.00 -0.60 0.00 0.00 56.93 56.45 3mh3 s PHE 8 Cb -0.12 -1.46 -0.03 0.00 0.51 0.00 0.00 43.02 41.92 3mh3 s PHE 8 CO 0.02 0.52 -0.16 1.52 0.70 0.00 0.00 175.22 177.82 3mh3 s TYR 9 N -1.77 1.49 0.25 0.36 -0.85 -0.66 -4.91 117.35 111.26 3mh3 s TYR 9 Ca 0.30 -0.47 0.06 0.00 -0.52 0.00 0.00 57.07 56.43 3mh3 s TYR 9 Cb -0.10 -0.81 -0.03 0.00 0.38 0.00 0.00 41.96 41.41 3mh3 s TYR 9 CO 0.22 0.15 0.32 1.03 -1.52 0.00 0.00 175.55 175.75 3mh3 s ARG 10 N -2.14 3.28 -0.24 -3.49 0.52 -1.26 -1.96 118.95 113.66 3mh3 s ARG 10 Ca 0.05 -0.86 -0.26 0.00 -0.52 0.00 0.00 55.73 54.14 3mh3 s ARG 10 Cb -0.08 -2.80 0.10 0.00 0.52 0.00 0.00 34.95 32.69 3mh3 s ARG 10 CO 0.03 0.39 0.87 -1.14 0.02 0.00 0.00 175.30 175.48 3mh3 s GLN 11 N -3.96 0.71 0.03 3.54 0.74 0.84 -4.96 119.66 116.60 3mh3 s GLN 11 Ca 0.34 0.67 -0.22 0.00 0.05 0.00 0.00 55.36 56.21 3mh3 s GLN 11 Cb -0.09 0.34 -0.06 0.00 1.10 0.00 0.00 33.01 34.31 3mh3 s GLN 11 CO 0.28 -0.12 0.64 -2.00 -0.55 0.00 0.00 175.29 173.54 3mh3 s GLU 12 N -0.01 4.36 -0.03 1.67 2.56 -1.26 0.83 118.70 126.82 3mh3 s GLU 12 Ca -0.00 0.84 -0.02 0.00 0.00 0.00 0.00 54.97 55.78 3mh3 s GLU 12 Cb -0.04 -3.33 0.01 0.00 2.00 0.00 0.00 34.13 32.77 3mh3 s GLU 12 CO -0.01 0.39 0.07 -0.51 -0.56 0.00 0.00 175.26 174.65 3mh3 s LEU 13 N -0.32 1.54 -0.48 2.70 1.43 -0.14 -4.92 118.68 118.50 3mh3 s LEU 13 Ca 0.33 0.14 -0.10 0.00 -1.03 0.00 0.00 54.13 53.47 3mh3 s LEU 13 Cb -0.19 0.21 0.01 0.00 0.03 0.00 0.00 46.19 46.25 3mh3 s LEU 13 CO 0.19 -0.05 0.19 0.59 0.23 0.00 0.00 176.35 177.50 3mh3 n ASN 14 N 3.31 -1.07 0.00 2.29 3.02 -1.26 -0.07 115.26 121.49 3mh3 n ASN 14 Ca -0.16 -0.48 0.00 0.00 -0.03 0.00 0.00 54.58 53.91 3mh3 n ASN 14 Cb 0.58 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 3mh3 n ASN 14 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3mh3 n LYS 15 N -2.44 0.00 -3.40 3.52 4.01 -1.26 -4.98 118.16 113.61 3mh3 n LYS 15 Ca -0.06 0.00 -0.38 0.00 -0.51 0.00 0.00 58.31 57.36 3mh3 n LYS 15 Cb 0.22 -1.86 -0.06 0.00 -0.51 0.00 0.00 35.03 32.82 3mh3 n LYS 15 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 3mh3 s THR 16 N -1.14 5.07 -0.44 -0.18 2.01 0.91 -5.06 115.64 116.80 3mh3 s THR 16 Ca 0.00 0.91 -0.18 0.00 0.31 0.00 0.00 61.69 62.73 3mh3 s THR 16 Cb 0.00 -3.77 0.03 0.00 0.01 0.00 0.00 72.50 68.77 3mh3 s THR 16 CO 0.00 0.46 0.50 -0.51 -0.69 0.00 0.00 174.62 174.38 3mh3 s ILE 17 N -0.30 5.02 -0.10 1.82 -1.16 -1.26 -0.96 121.20 124.25 3mh3 s ILE 17 Ca 0.25 -0.34 -0.13 0.00 -0.51 0.00 0.00 60.65 59.92 3mh3 s ILE 17 Cb -0.16 -4.12 -0.05 0.00 0.61 0.00 0.00 42.46 38.74 3mh3 s ILE 17 CO 0.12 -0.53 0.31 0.26 -2.81 0.00 0.00 174.94 172.30 3mh3 s TRP 18 N 2.31 3.57 -0.24 3.50 0.52 0.24 -4.88 118.94 123.96 3mh3 s TRP 18 Ca 0.14 0.72 -0.02 0.00 0.02 0.00 0.00 56.10 56.96 3mh3 s TRP 18 Cb -0.17 -2.27 0.07 0.00 -1.15 0.00 0.00 33.47 29.95 3mh3 s TRP 18 CO 0.14 0.45 0.06 -2.00 0.02 0.00 0.00 176.95 175.61 3mh3 s GLU 19 N -0.26 0.67 0.11 4.98 2.12 -1.25 -0.11 118.70 124.95 3mh3 s GLU 19 Ca 0.19 -0.64 0.04 0.00 0.36 0.00 0.00 54.97 54.92 3mh3 s GLU 19 Cb -0.14 -2.01 -0.04 0.00 0.26 0.00 0.00 34.13 32.20 3mh3 s GLU 19 CO 0.07 -0.77 -0.10 0.14 -0.54 0.00 0.00 175.26 174.05 3mh3 s VAL 20 N 1.79 1.03 0.57 3.70 -7.23 -0.83 -4.66 120.40 114.79 3mh3 s VAL 20 Ca 0.03 -1.76 -0.18 0.00 -1.81 0.00 0.00 61.98 58.25 3mh3 s VAL 20 Cb -0.17 -1.51 -0.09 0.00 0.56 0.00 0.00 36.38 35.17 3mh3 s VAL 20 CO -0.15 -0.60 0.48 -2.65 -0.31 0.00 0.00 175.10 171.86 3mh3 n PRO 21 N 0.34 0.47 0.22 4.82 -0.02 -1.26 -1.66 135.00 137.91 3mh3 n PRO 21 Ca -0.14 0.18 0.07 0.00 -2.02 0.00 0.00 63.50 61.59 3mh3 n PRO 21 Cb 0.58 -1.66 0.50 0.00 -0.02 0.00 0.00 33.50 32.91 3mh3 n PRO 21 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3mh3 h GLU 22 N 0.19 0.00 -0.98 -0.52 4.11 -1.51 -2.35 114.58 113.52 3mh3 h GLU 22 Ca -0.45 0.00 0.29 0.00 0.07 0.00 0.00 59.36 59.26 3mh3 h GLU 22 Cb 1.40 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.61 3mh3 h GLU 22 CO 0.46 0.26 0.87 -0.09 0.07 0.00 0.00 179.01 180.58 3mh3 h ARG 23 N 0.00 0.00 -5.17 1.06 2.43 -1.89 -3.38 114.38 107.43 3mh3 h ARG 23 Ca -0.00 0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.55 3mh3 h ARG 23 Cb 0.53 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 29.94 3mh3 h ARG 23 CO 0.03 0.00 -0.51 0.71 -1.51 0.00 0.00 179.97 178.69 3mh3 s TYR 24 N -4.71 3.34 0.03 2.20 1.51 -0.89 -1.51 117.35 117.32 3mh3 s TYR 24 Ca -0.04 0.23 -0.01 0.00 -1.01 0.00 0.00 57.07 56.24 3mh3 s TYR 24 Cb 0.19 -2.21 -0.02 0.00 -0.11 0.00 0.00 41.96 39.80 3mh3 s TYR 24 CO 0.65 0.14 -0.01 -1.14 -1.11 0.00 0.00 175.55 174.09 3mh3 s GLN 25 N 0.75 0.44 -0.98 -0.62 2.00 -0.39 -4.87 119.66 115.98 3mh3 s GLN 25 Ca 0.07 -0.79 -0.00 0.00 -2.00 0.00 0.00 55.36 52.64 3mh3 s GLN 25 Cb -0.13 0.16 0.00 0.00 0.80 0.00 0.00 33.01 33.84 3mh3 s GLN 25 CO 0.02 -0.08 0.82 0.09 -0.50 0.00 0.00 175.29 175.64 3mh3 n ASN 26 N 1.06 -2.19 -4.71 6.67 3.02 -1.26 0.17 115.26 118.02 3mh3 n ASN 26 Ca -0.20 -0.50 -0.42 0.00 -0.03 0.00 0.00 54.58 53.42 3mh3 n ASN 26 Cb 0.57 -4.27 -0.03 0.00 -0.61 0.00 0.00 39.78 35.44 3mh3 n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3mh3 s LEU 27 N -5.58 4.36 -0.04 3.41 1.02 -1.26 -4.40 118.68 116.19 3mh3 s LEU 27 Ca 0.02 2.38 -0.01 0.00 0.02 0.00 0.00 54.13 56.54 3mh3 s LEU 27 Cb -0.01 -3.58 0.03 0.00 0.02 0.00 0.00 46.19 42.65 3mh3 s LEU 27 CO 0.60 -0.75 0.07 -0.94 0.02 0.00 0.00 176.35 175.35 3mh3 s SER 28 N 1.49 -0.02 -0.48 2.29 1.04 0.12 -4.94 113.70 113.20 3mh3 s SER 28 Ca 0.67 0.14 -0.44 0.00 0.48 0.00 0.00 55.95 56.80 3mh3 s SER 28 Cb -0.38 0.05 -0.19 0.00 0.10 0.00 0.00 66.02 65.60 3mh3 s SER 28 CO 0.30 -0.11 1.92 -2.65 0.98 0.00 0.00 173.24 173.67 3mh3 n PRO 29 N 3.96 0.13 -0.07 4.02 -0.02 -1.26 -0.20 135.00 141.56 3mh3 n PRO 29 Ca -0.24 0.04 -0.13 0.00 -2.02 0.00 0.00 63.50 61.15 3mh3 n PRO 29 Cb 0.53 -1.59 -0.14 0.00 -0.02 0.00 0.00 33.50 32.27 3mh3 n PRO 29 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3mh3 n VAL 30 N 5.48 1.52 -0.06 -1.45 0.31 0.52 -4.84 118.33 119.82 3mh3 n VAL 30 Ca 0.44 -0.76 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 3mh3 n VAL 30 Cb -0.02 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 3mh3 n VAL 30 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3mh3 n GLY 31 N 1.84 -0.43 3.63 2.92 0.00 -1.18 -5.03 105.19 106.95 3mh3 n GLY 31 Ca -0.31 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.77 3mh3 n GLY 31 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3mh3 s SER 32 N -4.00 -0.78 0.00 1.61 0.15 -1.26 -2.65 113.70 106.77 3mh3 s SER 32 Ca 0.00 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.05 3mh3 s SER 32 Cb 0.00 1.38 0.00 0.00 -1.71 0.00 0.00 66.02 65.69 3mh3 s SER 32 CO 0.00 -0.23 0.00 -1.22 1.20 0.00 0.00 173.24 172.99 3mh3 n TYR 35 N 3.21 0.00 0.00 3.44 4.02 -1.26 -4.75 117.16 121.82 3mh3 n TYR 35 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 3mh3 n TYR 35 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.88 3mh3 n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3mh3 n GLY 36 N 0.00 1.85 3.58 2.72 0.00 -1.26 -0.93 105.19 111.16 3mh3 n GLY 36 Ca 0.00 -1.07 -0.23 0.00 0.00 0.00 0.00 46.02 44.71 3mh3 n GLY 36 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mh3 s SER 37 N 0.00 4.19 -0.10 1.61 1.04 -0.89 -4.89 113.70 114.66 3mh3 s SER 37 Ca 0.00 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.63 3mh3 s SER 37 Cb 0.00 -0.64 0.02 0.00 0.10 0.00 0.00 66.02 65.51 3mh3 s SER 37 CO 0.00 -0.00 -0.09 -0.69 0.98 0.00 0.00 173.24 173.44 3mh3 s VAL 38 N -2.40 1.06 0.04 5.02 1.01 -1.08 -1.08 120.40 122.96 3mh3 s VAL 38 Ca 0.31 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.96 3mh3 s VAL 38 Cb -0.05 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 3mh3 s VAL 38 CO 0.18 0.36 0.15 0.00 0.00 0.00 0.00 175.10 175.80 3mh3 s ALA 40 N -1.39 3.42 0.05 0.00 0.00 0.72 0.37 121.76 124.94 3mh3 s ALA 40 Ca 0.30 0.13 -0.13 0.00 0.00 0.00 0.00 51.96 52.27 3mh3 s ALA 40 Cb -0.13 -2.79 0.02 0.00 0.00 0.00 0.00 23.12 20.22 3mh3 s ALA 40 CO 0.22 0.34 0.28 0.00 0.00 0.00 0.00 175.76 176.60 3mh3 s ALA 41 N -1.54 -0.59 -0.25 0.00 0.00 0.03 0.14 121.76 119.55 3mh3 s ALA 41 Ca 0.43 -0.11 -0.18 0.00 0.00 0.00 0.00 51.96 52.10 3mh3 s ALA 41 Cb -0.16 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 3mh3 s ALA 41 CO 0.21 -0.43 0.49 0.12 0.00 0.00 0.00 175.76 176.15 3mh3 s PHE 42 N -2.78 3.29 -0.62 0.00 5.36 0.44 -0.28 117.98 123.39 3mh3 s PHE 42 Ca -0.03 0.64 -0.24 0.00 -0.96 0.00 0.00 56.93 56.33 3mh3 s PHE 42 Cb -0.00 -2.68 0.05 0.00 -0.34 0.00 0.00 43.02 40.04 3mh3 s PHE 42 CO -0.05 -0.23 1.02 0.34 -1.46 0.00 0.00 175.22 174.84 3mh3 s ASP 43 N 1.46 6.26 0.19 6.13 -1.08 0.10 -1.27 116.67 128.47 3mh3 s ASP 43 Ca 0.21 -0.56 0.20 0.00 -0.52 0.00 0.00 52.55 51.88 3mh3 s ASP 43 Cb -0.16 -2.46 0.86 0.00 -1.46 0.00 0.00 42.92 39.71 3mh3 s ASP 43 CO 0.09 -1.42 1.60 0.35 0.52 0.00 0.00 175.17 176.31 3mh3 n THR 44 N 6.16 0.98 0.09 1.71 -2.24 -0.57 -0.17 114.28 120.24 3mh3 n THR 44 Ca 0.00 0.33 -0.08 0.00 -2.27 0.00 0.00 64.05 62.03 3mh3 n THR 44 Cb 0.47 -1.24 -0.03 0.00 -2.10 0.00 0.00 70.33 67.44 3mh3 n THR 44 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3mh3 h LYS 45 N 0.00 0.15 0.00 -0.78 3.64 -1.90 -3.38 116.57 114.30 3mh3 h LYS 45 Ca 0.00 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 3mh3 h LYS 45 Cb 0.26 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3mh3 h LYS 45 CO 0.00 0.96 -0.76 0.25 -2.27 0.00 0.00 179.45 177.63 3mh3 n THR 46 N -3.60 0.00 -0.78 1.00 -2.24 -0.92 -5.00 114.28 102.74 3mh3 n THR 46 Ca -0.03 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3mh3 n THR 46 Cb 0.84 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 3mh3 n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mh3 n GLY 47 N 1.95 0.63 3.90 3.38 0.00 0.76 -5.03 105.19 110.76 3mh3 n GLY 47 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3mh3 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mh3 s LEU 48 N 0.00 4.37 0.28 0.99 1.43 -1.21 -4.87 118.68 119.67 3mh3 s LEU 48 Ca 0.00 0.43 -0.29 0.00 -1.03 0.00 0.00 54.13 53.24 3mh3 s LEU 48 Cb 0.00 -2.57 -0.09 0.00 0.03 0.00 0.00 46.19 43.56 3mh3 s LEU 48 CO 0.00 0.28 0.99 -0.13 0.23 0.00 0.00 176.35 177.71 3mh3 s ARG 49 N -1.78 4.70 0.26 1.70 0.52 -1.26 0.03 118.95 123.12 3mh3 s ARG 49 Ca 0.26 1.53 0.02 0.00 -0.52 0.00 0.00 55.73 57.02 3mh3 s ARG 49 Cb -0.13 -3.10 -0.05 0.00 0.52 0.00 0.00 34.95 32.19 3mh3 s ARG 49 CO 0.16 0.35 0.06 0.14 0.02 0.00 0.00 175.30 176.03 3mh3 s VAL 50 N -1.30 0.77 -0.17 3.52 -7.23 0.61 -3.89 120.40 112.71 3mh3 s VAL 50 Ca 0.45 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.54 3mh3 s VAL 50 Cb -0.25 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.08 3mh3 s VAL 50 CO 0.32 -0.11 0.08 0.00 -0.31 0.00 0.00 175.10 175.08 3mh3 s ALA 51 N -3.60 3.49 -0.23 1.32 0.00 0.46 -0.79 121.76 122.41 3mh3 s ALA 51 Ca 0.35 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.59 3mh3 s ALA 51 Cb 0.07 -1.92 0.04 0.00 0.00 0.00 0.00 23.12 21.31 3mh3 s ALA 51 CO 0.12 0.26 -0.13 0.08 0.00 0.00 0.00 175.76 176.09 3mh3 s VAL 52 N 0.10 2.25 -0.26 0.00 1.01 0.16 -1.81 120.40 121.86 3mh3 s VAL 52 Ca 0.06 -1.30 -0.07 0.00 0.00 0.00 0.00 61.98 60.67 3mh3 s VAL 52 Cb -0.12 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 3mh3 s VAL 52 CO 0.00 0.21 0.06 -0.75 0.00 0.00 0.00 175.10 174.62 3mh3 s LYS 53 N 1.20 3.52 -0.40 2.72 2.20 0.94 -0.56 119.74 129.37 3mh3 s LYS 53 Ca -0.03 -0.56 -0.28 0.00 -0.36 0.00 0.00 55.97 54.74 3mh3 s LYS 53 Cb -0.17 -3.30 0.02 0.00 -1.51 0.00 0.00 37.83 32.87 3mh3 s LYS 53 CO -0.08 -0.24 1.04 0.21 -0.36 0.00 0.00 175.35 175.92 3mh3 s LYS 54 N 1.58 3.83 0.36 4.03 2.20 -0.24 -0.20 119.74 131.30 3mh3 s LYS 54 Ca 0.06 0.66 -0.27 0.00 -0.36 0.00 0.00 55.97 56.06 3mh3 s LYS 54 Cb -0.15 -3.83 -0.09 0.00 -1.51 0.00 0.00 37.83 32.24 3mh3 s LYS 54 CO 0.03 -1.11 1.27 -0.51 -0.36 0.00 0.00 175.35 174.66 3mh3 s LEU 55 N 3.89 4.33 -0.21 5.43 1.02 -0.86 -2.10 118.68 130.18 3mh3 s LEU 55 Ca 0.43 2.59 -0.15 0.00 0.02 0.00 0.00 54.13 57.02 3mh3 s LEU 55 Cb -0.10 -3.79 -0.04 0.00 0.02 0.00 0.00 46.19 42.27 3mh3 s LEU 55 CO 0.23 -0.64 0.36 -0.94 0.02 0.00 0.00 176.35 175.39 3mh3 s SER 56 N -0.71 6.38 -1.32 2.29 1.04 -0.10 -4.50 113.70 116.78 3mh3 s SER 56 Ca 0.53 0.44 -0.01 0.00 0.48 0.00 0.00 55.95 57.39 3mh3 s SER 56 Cb -0.37 -2.21 -0.00 0.00 0.10 0.00 0.00 66.02 63.54 3mh3 s SER 56 CO 0.48 -0.06 0.63 0.54 0.98 0.00 0.00 173.24 175.81 3mh3 n ARG 57 N 4.49 -4.25 0.12 4.02 1.74 -1.26 -4.76 116.66 116.75 3mh3 n ARG 57 Ca -0.09 0.56 0.19 0.00 -0.77 0.00 0.00 57.85 57.74 3mh3 n ARG 57 Cb 0.51 -4.96 0.76 0.00 -1.02 0.00 0.00 32.46 27.76 3mh3 n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3mh3 h PRO 58 N -1.85 0.00 -0.19 5.56 0.13 -1.82 -1.60 132.00 132.23 3mh3 h PRO 58 Ca -0.62 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.36 3mh3 h PRO 58 Cb 1.36 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.35 3mh3 h PRO 58 CO 0.57 0.00 -0.64 1.19 -0.23 0.00 0.00 178.00 178.90 3mh3 n PHE 59 N -3.84 0.67 -0.11 1.56 3.72 -1.26 -2.75 117.46 115.45 3mh3 n PHE 59 Ca 0.06 -1.60 0.08 0.00 -0.05 0.00 0.00 57.45 55.93 3mh3 n PHE 59 Cb 0.52 -0.26 0.42 0.00 -0.94 0.00 0.00 39.48 39.21 3mh3 n PHE 59 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3mh3 h GLN 60 N 1.32 0.58 -2.81 -1.08 4.15 -1.64 -3.46 115.11 112.17 3mh3 h GLN 60 Ca 0.06 -0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.52 3mh3 h GLN 60 Cb 1.21 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.73 3mh3 h GLN 60 CO 0.19 0.39 0.33 -1.54 -1.93 0.00 0.00 178.83 176.27 3mh3 s SER 61 N -6.33 -0.14 0.45 -0.69 1.04 -1.26 -4.99 113.70 101.77 3mh3 s SER 61 Ca -0.09 -0.72 0.23 0.00 0.48 0.00 0.00 55.95 55.85 3mh3 s SER 61 Cb 0.19 0.69 1.23 0.00 0.10 0.00 0.00 66.02 68.22 3mh3 s SER 61 CO 0.75 -1.31 1.84 0.40 0.98 0.00 0.00 173.24 175.90 3mh3 h ILE 62 N 2.00 0.58 0.11 -1.02 2.04 -1.92 0.85 117.51 120.14 3mh3 h ILE 62 Ca -0.24 -0.09 -0.20 0.00 1.00 0.00 0.00 64.86 65.32 3mh3 h ILE 62 Cb 1.24 0.29 0.02 0.00 -0.74 0.00 0.00 36.82 37.63 3mh3 h ILE 62 CO 0.30 0.05 -0.85 0.40 0.00 0.00 0.00 178.15 178.04 3mh3 h ILE 63 N 0.27 1.45 -0.45 -0.67 1.08 -1.97 -2.41 117.51 114.81 3mh3 h ILE 63 Ca 0.50 -2.41 -0.11 0.00 -0.39 0.00 0.00 64.86 62.46 3mh3 h ILE 63 Cb 1.49 2.96 -0.01 0.00 -3.07 0.00 0.00 36.82 38.19 3mh3 h ILE 63 CO -0.15 0.70 -0.14 0.45 -0.69 0.00 0.00 178.15 178.31 3mh3 h HIS 64 N -0.18 1.00 -0.09 1.37 3.86 -1.76 -2.30 115.15 117.05 3mh3 h HIS 64 Ca -0.14 -0.23 -0.04 0.00 -1.16 0.00 0.00 60.37 58.81 3mh3 h HIS 64 Cb 1.62 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 29.85 3mh3 h HIS 64 CO 0.17 1.00 -0.08 0.00 0.86 0.00 0.00 177.93 179.87 3mh3 h ALA 65 N 0.86 0.13 -0.93 2.45 0.00 -0.64 0.31 119.26 121.44 3mh3 h ALA 65 Ca 0.11 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3mh3 h ALA 65 Cb 0.69 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 3mh3 h ALA 65 CO 0.05 -0.05 0.61 -0.22 0.00 0.00 0.00 179.25 179.64 3mh3 h LYS 66 N -0.19 1.23 -0.09 0.00 3.64 -1.51 -0.99 116.57 118.66 3mh3 h LYS 66 Ca 0.02 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3mh3 h LYS 66 Cb 0.58 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3mh3 h LYS 66 CO 0.02 0.82 0.05 -0.09 -2.27 0.00 0.00 179.45 177.99 3mh3 h ARG 67 N 1.27 0.13 -0.31 1.90 2.43 -1.18 0.72 114.38 119.33 3mh3 h ARG 67 Ca 0.34 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.56 3mh3 h ARG 67 Cb -0.13 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.34 3mh3 h ARG 67 CO -0.07 0.14 -0.05 1.15 -1.51 0.00 0.00 179.97 179.63 3mh3 h THR 68 N 0.07 0.72 0.07 0.20 2.02 -0.13 0.30 112.91 116.16 3mh3 h THR 68 Ca 0.03 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 3mh3 h THR 68 Cb 0.05 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3mh3 h THR 68 CO -0.01 0.01 -0.03 0.22 0.37 0.00 0.00 175.52 176.08 3mh3 h TYR 69 N 0.03 -0.08 -0.61 3.16 5.03 -0.87 -1.61 116.97 122.02 3mh3 h TYR 69 Ca 0.15 -0.00 0.12 0.00 2.58 0.00 0.00 58.73 61.57 3mh3 h TYR 69 Cb 0.22 0.03 -0.12 0.00 1.55 0.00 0.00 36.73 38.41 3mh3 h TYR 69 CO -0.27 0.12 -0.26 -0.09 -1.32 0.00 0.00 178.16 176.34 3mh3 h ARG 70 N -0.27 -0.09 -0.66 1.82 2.43 0.78 0.76 114.38 119.14 3mh3 h ARG 70 Ca -0.01 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3mh3 h ARG 70 Cb 0.24 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 3mh3 h ARG 70 CO 0.02 -0.06 0.44 1.49 -1.51 0.00 0.00 179.97 180.34 3mh3 h GLU 71 N -0.09 0.87 -0.40 0.20 4.81 -0.23 -0.66 114.58 119.08 3mh3 h GLU 71 Ca 0.27 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.30 3mh3 h GLU 71 Cb 0.52 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3mh3 h GLU 71 CO -0.68 0.58 -0.33 1.25 -0.73 0.00 0.00 179.01 179.10 3mh3 h LEU 72 N 0.90 0.99 -0.30 1.64 6.46 -0.63 -1.74 115.31 122.63 3mh3 h LEU 72 Ca 0.24 -0.45 -0.01 0.00 -0.12 0.00 0.00 57.88 57.54 3mh3 h LEU 72 Cb -0.10 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.54 3mh3 h LEU 72 CO -0.05 1.23 0.13 0.03 -0.62 0.00 0.00 178.44 179.16 3mh3 h ARG 73 N 0.76 0.44 0.22 1.25 2.47 -0.62 -1.35 114.38 117.55 3mh3 h ARG 73 Ca 0.07 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3mh3 h ARG 73 Cb 0.92 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.16 3mh3 h ARG 73 CO 0.09 0.44 -0.15 -0.07 0.56 0.00 0.00 179.97 180.84 3mh3 h LEU 74 N 0.34 -0.39 -1.18 3.04 3.38 -0.99 -2.29 115.31 117.23 3mh3 h LEU 74 Ca 0.10 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3mh3 h LEU 74 Cb 0.16 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3mh3 h LEU 74 CO -0.01 -0.24 -0.12 -0.07 0.09 0.00 0.00 178.44 178.09 3mh3 h LEU 75 N -0.37 0.41 -1.21 1.67 3.38 -1.27 -1.35 115.31 116.57 3mh3 h LEU 75 Ca -0.02 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 3mh3 h LEU 75 Cb 0.32 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3mh3 h LEU 75 CO 0.01 0.57 -0.12 0.11 0.09 0.00 0.00 178.44 179.09 3mh3 h LYS 76 N 0.40 0.40 -0.26 1.13 1.57 -1.11 -3.19 116.57 115.52 3mh3 h LYS 76 Ca 0.08 -0.10 -0.16 0.00 -1.87 0.00 0.00 60.65 58.60 3mh3 h LYS 76 Cb 0.45 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 3mh3 h LYS 76 CO 0.03 0.52 -0.45 1.25 -0.57 0.00 0.00 179.45 180.23 3mh3 h HIS 77 N 0.37 0.94 -2.31 -1.35 2.76 -0.68 -3.45 115.15 111.44 3mh3 h HIS 77 Ca 0.07 -0.33 -0.54 0.00 -2.20 0.00 0.00 60.37 57.37 3mh3 h HIS 77 Cb 0.44 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.20 3mh3 h HIS 77 CO 0.01 1.12 1.34 -1.64 -1.30 0.00 0.00 177.93 177.46 3mh3 s MET 78 N -4.14 2.97 -0.50 5.26 -1.94 -0.85 -4.94 119.30 115.16 3mh3 s MET 78 Ca -0.12 1.15 0.03 0.00 -1.71 0.00 0.00 55.69 55.05 3mh3 s MET 78 Cb 0.09 -4.30 0.15 0.00 2.01 0.00 0.00 34.83 32.78 3mh3 s MET 78 CO 0.86 -2.30 0.33 0.15 -0.01 0.00 0.00 175.02 174.05 3mh3 s LYS 79 N 6.40 1.51 -0.27 2.03 1.02 -1.26 -4.33 119.74 124.83 3mh3 s LYS 79 Ca 0.77 -2.40 -0.23 0.00 0.02 0.00 0.00 55.97 54.13 3mh3 s LYS 79 Cb -0.19 -2.40 0.08 0.00 -0.52 0.00 0.00 37.83 34.81 3mh3 s LYS 79 CO 0.28 -1.25 0.77 -1.58 -0.92 0.00 0.00 175.35 172.65 3mh3 s HIS 80 N -0.22 -0.78 0.55 3.18 2.46 -1.26 -5.05 115.29 114.17 3mh3 s HIS 80 Ca 0.24 1.83 0.25 0.00 0.47 0.00 0.00 55.06 57.84 3mh3 s HIS 80 Cb -0.12 0.35 1.47 0.00 -0.13 0.00 0.00 32.58 34.15 3mh3 s HIS 80 CO -0.10 -0.38 2.06 0.93 -2.47 0.00 0.00 174.74 174.78 3mh3 h GLU 81 N 5.24 0.00 -0.57 2.88 5.08 -1.97 -1.90 114.58 123.35 3mh3 h GLU 81 Ca -0.29 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.01 3mh3 h GLU 81 Cb 1.17 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 3mh3 h GLU 81 CO 0.08 0.00 0.07 0.09 -1.00 0.00 0.00 179.01 178.25 3mh3 n ASN 82 N -4.18 5.19 -3.83 1.42 4.13 -1.26 -4.69 115.26 112.04 3mh3 n ASN 82 Ca 0.04 -3.04 -0.18 0.00 1.68 0.00 0.00 54.58 53.08 3mh3 n ASN 82 Cb 0.41 -0.68 -0.16 0.00 -1.54 0.00 0.00 39.78 37.80 3mh3 n ASN 82 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3mh3 s VAL 83 N -2.85 0.24 0.21 2.41 1.01 -0.71 -0.47 120.40 120.23 3mh3 s VAL 83 Ca 0.53 0.05 -0.31 0.00 0.00 0.00 0.00 61.98 62.25 3mh3 s VAL 83 Cb 0.41 -0.33 -0.15 0.00 0.00 0.00 0.00 36.38 36.31 3mh3 s VAL 83 CO 0.14 0.16 1.15 0.00 0.00 0.00 0.00 175.10 176.55 3mh3 n ILE 84 N 4.16 1.17 -4.33 2.22 3.06 0.54 -4.44 119.36 121.73 3mh3 n ILE 84 Ca -0.25 -0.29 -0.20 0.00 -2.50 0.00 0.00 62.75 59.50 3mh3 n ILE 84 Cb 0.50 -0.95 -0.07 0.00 0.54 0.00 0.00 39.64 39.66 3mh3 n ILE 84 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3mh3 n GLY 85 N 1.85 3.05 3.50 4.50 0.00 -1.26 -4.77 105.19 112.05 3mh3 n GLY 85 Ca 0.13 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 43.86 3mh3 n GLY 85 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3mh3 s LEU 86 N 0.00 3.41 -0.05 0.99 1.98 -1.24 -4.62 118.68 119.14 3mh3 s LEU 86 Ca 0.33 -0.12 0.14 0.00 -2.89 0.00 0.00 54.13 51.59 3mh3 s LEU 86 Cb 0.02 -1.86 -0.22 0.00 0.66 0.00 0.00 46.19 44.78 3mh3 s LEU 86 CO 0.23 0.10 0.58 0.18 -1.89 0.00 0.00 176.35 175.55 3mh3 n LEU 87 N 4.02 0.70 -3.58 -0.68 4.32 0.71 -4.60 117.00 117.89 3mh3 n LEU 87 Ca -0.17 0.33 -0.08 0.00 -0.02 0.00 0.00 56.01 56.07 3mh3 n LEU 87 Cb 0.52 0.21 -0.04 0.00 -1.62 0.00 0.00 43.42 42.49 3mh3 n LEU 87 CO 0.33 0.36 0.86 -0.62 -1.22 0.00 0.00 177.39 177.09 3mh3 s ASP 88 N -5.91 -0.29 -0.00 -1.43 3.68 -1.07 -4.60 116.67 107.05 3mh3 s ASP 88 Ca -0.05 0.27 -0.00 0.00 2.13 0.00 0.00 52.55 54.89 3mh3 s ASP 88 Cb 0.08 0.25 0.00 0.00 -1.45 0.00 0.00 42.92 41.80 3mh3 s ASP 88 CO 0.83 -0.30 0.01 0.54 0.13 0.00 0.00 175.17 176.37 3mh3 s VAL 89 N -1.37 -0.01 0.29 1.11 0.11 -1.26 -0.62 120.40 118.65 3mh3 s VAL 89 Ca 0.02 0.02 -0.10 0.00 -2.93 0.00 0.00 61.98 58.98 3mh3 s VAL 89 Cb -0.01 -0.03 0.00 0.00 -1.53 0.00 0.00 36.38 34.82 3mh3 s VAL 89 CO -0.02 0.01 0.51 0.72 -3.33 0.00 0.00 175.10 172.99 3mh3 s PHE 90 N 0.11 0.52 -0.13 1.54 -0.12 -0.66 -4.98 117.98 114.25 3mh3 s PHE 90 Ca -0.01 -0.88 -0.11 0.00 -0.05 0.00 0.00 56.93 55.88 3mh3 s PHE 90 Cb -0.01 0.19 0.03 0.00 -0.63 0.00 0.00 43.02 42.60 3mh3 s PHE 90 CO -0.00 -1.09 0.33 -0.08 -0.05 0.00 0.00 175.22 174.33 3mh3 s THR 91 N -3.59 -0.00 0.52 -4.49 -1.32 -1.26 -0.80 115.64 104.70 3mh3 s THR 91 Ca 0.24 0.01 0.29 0.00 -1.21 0.00 0.00 61.69 61.02 3mh3 s THR 91 Cb -0.01 -0.47 0.33 0.00 -1.51 0.00 0.00 72.50 70.84 3mh3 s THR 91 CO 0.12 0.00 2.19 -0.65 -2.21 0.00 0.00 174.62 174.07 3mh3 h PRO 92 N 5.77 0.00 -6.44 7.08 0.11 -1.82 -3.45 132.00 133.25 3mh3 h PRO 92 Ca -0.28 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.22 3mh3 h PRO 92 Cb 1.19 0.00 0.10 0.00 0.11 0.00 0.00 31.00 32.39 3mh3 h PRO 92 CO 0.30 0.05 0.23 0.00 -0.21 0.00 0.00 178.00 178.37 3mh3 n ALA 93 N -2.29 -0.25 0.15 -0.75 0.00 -1.26 -4.92 120.51 111.18 3mh3 n ALA 93 Ca -0.02 0.42 0.11 0.00 0.00 0.00 0.00 53.44 53.95 3mh3 n ALA 93 Cb 0.14 -2.05 -0.04 0.00 0.00 0.00 0.00 19.45 17.50 3mh3 n ALA 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3mh3 n ARG 94 N 1.22 0.57 -3.94 0.00 5.12 -1.26 -4.98 116.66 113.39 3mh3 n ARG 94 Ca 0.12 0.02 -0.09 0.00 -1.93 0.00 0.00 57.85 55.97 3mh3 n ARG 94 Cb 0.29 -1.71 -0.03 0.00 -1.16 0.00 0.00 32.46 29.85 3mh3 n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3mh3 s SER 95 N -4.92 -0.04 0.42 0.55 1.04 -1.26 -5.04 113.70 104.44 3mh3 s SER 95 Ca -0.02 -0.91 0.12 0.00 0.48 0.00 0.00 55.95 55.63 3mh3 s SER 95 Cb 0.11 0.67 0.89 0.00 0.10 0.00 0.00 66.02 67.80 3mh3 s SER 95 CO 0.82 -1.29 1.95 0.25 0.98 0.00 0.00 173.24 175.94 3mh3 h LEU 96 N 2.13 0.09 -0.77 2.42 6.46 -1.97 -2.84 115.31 120.82 3mh3 h LEU 96 Ca -0.25 -0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.46 3mh3 h LEU 96 Cb 1.25 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 41.12 3mh3 h LEU 96 CO 0.32 0.28 0.34 -0.33 -0.62 0.00 0.00 178.44 178.43 3mh3 h GLU 97 N 0.09 1.14 -0.00 1.25 3.07 -2.01 -1.48 114.58 116.64 3mh3 h GLU 97 Ca 0.02 -0.19 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 3mh3 h GLU 97 Cb 0.38 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 3mh3 h GLU 97 CO 0.03 0.91 -0.20 0.39 -1.40 0.00 0.00 179.01 178.73 3mh3 n GLU 98 N -4.33 0.25 -1.80 2.33 1.02 -1.09 -4.94 120.64 112.08 3mh3 n GLU 98 Ca 0.07 -0.09 -0.43 0.00 -0.02 0.00 0.00 57.16 56.69 3mh3 n GLU 98 Cb 0.16 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.06 3mh3 n GLU 98 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3mh3 s PHE 99 N -2.81 1.52 0.00 -0.32 5.36 -0.56 -4.76 117.98 116.40 3mh3 s PHE 99 Ca 0.18 0.21 0.00 0.00 -0.96 0.00 0.00 56.93 56.36 3mh3 s PHE 99 Cb 0.19 -4.05 0.00 0.00 -0.34 0.00 0.00 43.02 38.82 3mh3 s PHE 99 CO 0.57 -4.20 0.00 -1.71 -1.46 0.00 0.00 175.22 168.41 3mh3 n ASN 100 N 9.23 0.00 -4.25 6.13 2.85 -1.26 -5.06 115.26 122.89 3mh3 n ASN 100 Ca 0.23 0.00 -0.21 0.00 -0.11 0.00 0.00 54.58 54.49 3mh3 n ASN 100 Cb 0.44 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 41.34 3mh3 n ASN 100 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 3mh3 s ASP 101 N 0.00 2.22 -0.04 1.20 1.01 -1.26 -4.65 116.67 115.16 3mh3 s ASP 101 Ca 0.00 -0.71 0.02 0.00 0.71 0.00 0.00 52.55 52.57 3mh3 s ASP 101 Cb 0.00 -0.10 0.01 0.00 1.01 0.00 0.00 42.92 43.84 3mh3 s ASP 101 CO 0.00 -0.03 -0.08 -0.69 0.21 0.00 0.00 175.17 174.58 3mh3 s VAL 102 N -1.49 0.73 -0.08 -1.27 1.01 -1.26 -4.58 120.40 113.47 3mh3 s VAL 102 Ca 0.06 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 61.80 3mh3 s VAL 102 Cb -0.08 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 3mh3 s VAL 102 CO 0.04 0.25 -0.24 -0.31 0.00 0.00 0.00 175.10 174.84 3mh3 s TYR 103 N 0.50 2.51 -0.07 5.22 1.51 0.02 -2.02 117.35 125.02 3mh3 s TYR 103 Ca -0.08 -0.86 0.01 0.00 -1.01 0.00 0.00 57.07 55.14 3mh3 s TYR 103 Cb -0.12 -1.66 -0.03 0.00 -0.11 0.00 0.00 41.96 40.05 3mh3 s TYR 103 CO 0.01 -0.30 -0.10 -0.51 -1.11 0.00 0.00 175.55 173.54 3mh3 s LEU 104 N 0.07 2.98 -0.11 -1.29 1.43 0.72 -1.65 118.68 120.83 3mh3 s LEU 104 Ca -0.11 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 3mh3 s LEU 104 Cb -0.16 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.43 3mh3 s LEU 104 CO 0.06 0.33 -0.19 -0.69 0.23 0.00 0.00 176.35 176.09 3mh3 s VAL 105 N -0.62 1.74 0.23 -1.59 1.01 0.21 -0.04 120.40 121.34 3mh3 s VAL 105 Ca 0.09 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.28 3mh3 s VAL 105 Cb -0.11 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 3mh3 s VAL 105 CO 0.02 0.49 0.12 0.42 0.00 0.00 0.00 175.10 176.15 3mh3 s THR 106 N 0.79 0.23 0.42 3.92 -4.23 -0.75 -0.20 115.64 115.81 3mh3 s THR 106 Ca -0.10 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.16 3mh3 s THR 106 Cb -0.16 -2.55 -0.10 0.00 1.34 0.00 0.00 72.50 71.03 3mh3 s THR 106 CO 0.01 0.00 1.20 1.41 -0.54 0.00 0.00 174.62 176.69 3mh3 n HIS 107 N -0.37 1.86 -2.45 3.99 8.25 -1.26 -0.40 115.22 124.83 3mh3 n HIS 107 Ca 0.01 0.52 -0.43 0.00 -0.26 0.00 0.00 57.72 57.57 3mh3 n HIS 107 Cb 0.66 -2.33 -0.02 0.00 1.12 0.00 0.00 29.99 29.41 3mh3 n HIS 107 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3mh3 s LEU 108 N -1.35 4.15 -0.21 2.41 2.96 -1.25 -4.33 118.68 121.05 3mh3 s LEU 108 Ca 0.62 1.62 -0.05 0.00 -0.22 0.00 0.00 54.13 56.09 3mh3 s LEU 108 Cb -0.53 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.61 3mh3 s LEU 108 CO 0.58 -0.78 -0.01 -0.04 -1.32 0.00 0.00 176.35 174.78 3mh3 s MET 109 N 3.53 3.53 0.02 1.98 -1.94 -1.26 -4.96 119.30 120.20 3mh3 s MET 109 Ca 0.54 -0.55 0.10 0.00 -1.71 0.00 0.00 55.69 54.07 3mh3 s MET 109 Cb -0.20 -3.08 -0.22 0.00 2.01 0.00 0.00 34.83 33.34 3mh3 s MET 109 CO 0.14 -0.08 0.91 0.78 -0.01 0.00 0.00 175.02 176.76 3mh3 h GLY 110 N 7.79 0.00 -4.52 -0.03 0.00 -1.94 -3.49 103.07 100.88 3mh3 h GLY 110 Ca -0.38 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.83 3mh3 h GLY 110 CO 0.60 0.00 -0.35 0.00 0.00 0.00 0.00 176.54 176.79 3mh3 s ALA 111 N -2.64 -0.60 0.44 3.60 0.00 -1.26 -5.09 121.76 116.21 3mh3 s ALA 111 Ca -0.02 0.12 0.06 0.00 0.00 0.00 0.00 51.96 52.11 3mh3 s ALA 111 Cb 0.09 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.33 3mh3 s ALA 111 CO 0.82 -0.26 0.61 0.16 0.00 0.00 0.00 175.76 177.09 3mh3 s ASP 112 N -1.43 5.61 0.48 0.00 3.84 -1.26 -0.82 116.67 123.09 3mh3 s ASP 112 Ca -0.13 -0.30 0.23 0.00 -0.00 0.00 0.00 52.55 52.35 3mh3 s ASP 112 Cb -0.06 -0.78 1.26 0.00 -1.38 0.00 0.00 42.92 41.97 3mh3 s ASP 112 CO 0.03 -0.81 1.93 0.25 -0.00 0.00 0.00 175.17 176.57 3mh3 h LEU 113 N 0.54 0.18 -0.11 2.11 6.46 -0.73 -1.00 115.31 122.75 3mh3 h LEU 113 Ca -0.41 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.33 3mh3 h LEU 113 Cb 1.28 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 41.19 3mh3 h LEU 113 CO 0.48 0.08 -0.06 -1.13 -0.62 0.00 0.00 178.44 177.19 3mh3 h ASN 114 N 0.18 0.25 0.00 1.25 -0.00 -1.86 -1.64 115.58 113.77 3mh3 h ASN 114 Ca 0.35 -0.43 0.00 0.00 -0.00 0.00 0.00 56.30 56.22 3mh3 h ASN 114 Cb 1.12 -0.07 0.00 0.00 -0.00 0.00 0.00 38.32 39.38 3mh3 h ASN 114 CO -0.06 0.62 0.34 0.59 -0.00 0.00 0.00 177.43 178.92 3mh3 n ASN 115 N -4.69 0.17 0.00 1.15 5.03 -0.39 -2.26 115.26 114.27 3mh3 n ASN 115 Ca -0.06 0.40 0.00 0.00 0.87 0.00 0.00 54.58 55.79 3mh3 n ASN 115 Cb 0.29 -0.34 0.00 0.00 -1.02 0.00 0.00 39.78 38.71 3mh3 n ASN 115 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 3mh3 n ILE 116 N -1.71 0.00 -0.25 2.41 2.08 -0.95 -4.30 119.36 116.64 3mh3 n ILE 116 Ca -0.00 0.46 0.21 0.00 0.56 0.00 0.00 62.75 63.98 3mh3 n ILE 116 Cb 0.35 -1.45 0.39 0.00 -0.75 0.00 0.00 39.64 38.18 3mh3 n ILE 116 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3mh3 n VAL 117 N -2.36 -0.32 0.03 1.39 0.31 -0.66 -0.49 118.33 116.23 3mh3 n VAL 117 Ca 0.00 1.58 -0.19 0.00 -0.01 0.00 0.00 64.34 65.72 3mh3 n VAL 117 Cb 0.00 -2.50 -0.12 0.00 -0.91 0.00 0.00 33.84 30.31 3mh3 n VAL 117 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 3mh3 h LYS 118 N 0.00 0.43 -2.23 5.55 5.09 -1.72 -3.32 116.57 120.36 3mh3 h LYS 118 Ca 0.60 -0.53 -0.78 0.00 0.09 0.00 0.00 60.65 60.03 3mh3 h LYS 118 Cb 1.52 0.17 -0.29 0.00 0.10 0.00 0.00 32.23 33.73 3mh3 h LYS 118 CO -0.62 1.19 0.80 0.00 -2.09 0.00 0.00 179.45 178.73 3mh3 n GLN 120 N -0.12 -2.06 -3.95 0.00 6.02 -1.03 -4.89 117.38 111.35 3mh3 n GLN 120 Ca 0.45 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 57.15 3mh3 n GLN 120 Cb 0.28 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.38 3mh3 n GLN 120 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3mh3 s LYS 121 N -2.00 1.77 0.08 -1.09 2.47 -1.26 -4.85 119.74 114.86 3mh3 s LYS 121 Ca 0.00 -0.67 -0.30 0.00 -1.56 0.00 0.00 55.97 53.44 3mh3 s LYS 121 Cb 0.00 -2.20 -0.06 0.00 -1.46 0.00 0.00 37.83 34.11 3mh3 s LYS 121 CO 0.00 -0.41 1.17 -0.51 0.16 0.00 0.00 175.35 175.75 3mh3 s LEU 122 N 1.51 4.39 0.83 5.43 1.43 -1.26 -5.03 118.68 125.98 3mh3 s LEU 122 Ca 0.00 2.01 -0.13 0.00 -1.03 0.00 0.00 54.13 54.98 3mh3 s LEU 122 Cb -0.15 -3.58 0.09 0.00 0.03 0.00 0.00 46.19 42.57 3mh3 s LEU 122 CO -0.08 -0.41 1.14 0.41 0.23 0.00 0.00 176.35 177.63 3mh3 n THR 123 N 3.64 1.58 -0.37 5.49 -1.04 -1.26 -4.87 114.28 117.45 3mh3 n THR 123 Ca 0.08 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 3mh3 n THR 123 Cb 0.47 -1.12 0.15 0.00 -1.82 0.00 0.00 70.33 68.00 3mh3 n THR 123 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 3mh3 h ASP 124 N -1.10 1.10 0.04 8.00 3.58 -1.97 -0.79 116.42 125.29 3mh3 h ASP 124 Ca -0.46 -0.01 -0.12 0.00 0.42 0.00 0.00 57.03 56.87 3mh3 h ASP 124 Cb 1.29 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 42.08 3mh3 h ASP 124 CO 0.44 0.75 -0.37 -0.78 -2.88 0.00 0.00 179.24 176.40 3mh3 h ASP 125 N 1.27 0.46 -0.31 2.28 1.82 -1.99 0.69 116.42 120.63 3mh3 h ASP 125 Ca 0.40 -0.19 -0.00 0.00 -0.39 0.00 0.00 57.03 56.85 3mh3 h ASP 125 Cb 0.01 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 39.88 3mh3 h ASP 125 CO -0.13 0.79 0.18 0.45 -1.61 0.00 0.00 179.24 178.93 3mh3 h HIS 126 N 0.37 0.42 -0.57 0.28 3.86 -1.83 -2.10 115.15 115.58 3mh3 h HIS 126 Ca 0.04 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.25 3mh3 h HIS 126 Cb 0.82 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 29.12 3mh3 h HIS 126 CO 0.03 0.32 0.37 0.28 0.86 0.00 0.00 177.93 179.78 3mh3 h VAL 127 N 0.40 1.13 -1.00 2.45 2.07 -0.85 0.52 116.25 120.97 3mh3 h VAL 127 Ca 0.11 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.39 3mh3 h VAL 127 Cb 0.03 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.06 3mh3 h VAL 127 CO -0.02 0.14 0.66 0.06 0.02 0.00 0.00 177.57 178.43 3mh3 h GLN 128 N 0.75 1.30 -0.02 1.57 3.07 -0.72 -1.20 115.11 119.86 3mh3 h GLN 128 Ca 0.21 -0.08 -0.03 0.00 0.09 0.00 0.00 58.65 58.84 3mh3 h GLN 128 Cb -0.06 -0.29 0.00 0.00 0.08 0.00 0.00 27.48 27.21 3mh3 h GLN 128 CO -0.06 0.86 -0.12 0.35 0.09 0.00 0.00 178.83 179.96 3mh3 h PHE 129 N 1.34 0.16 0.32 0.06 3.57 -0.82 -1.48 116.94 120.08 3mh3 h PHE 129 Ca 0.37 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 3mh3 h PHE 129 Cb -0.14 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 3mh3 h PHE 129 CO -0.00 0.78 -0.24 -0.07 -2.23 0.00 0.00 178.31 176.55 3mh3 h LEU 130 N -0.51 -0.61 -0.79 0.59 4.07 -0.83 -1.04 115.31 116.19 3mh3 h LEU 130 Ca -0.01 0.05 -0.10 0.00 0.08 0.00 0.00 57.88 57.90 3mh3 h LEU 130 Cb 0.79 0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.71 3mh3 h LEU 130 CO 0.02 -0.37 -0.14 0.40 -1.08 0.00 0.00 178.44 177.28 3mh3 h ILE 131 N -0.56 1.26 -0.38 1.22 1.08 -1.29 -1.74 117.51 117.10 3mh3 h ILE 131 Ca -0.03 -1.20 0.04 0.00 -0.39 0.00 0.00 64.86 63.28 3mh3 h ILE 131 Cb 0.48 1.09 -0.04 0.00 -3.07 0.00 0.00 36.82 35.29 3mh3 h ILE 131 CO -0.00 0.41 0.16 0.22 -0.69 0.00 0.00 178.15 178.25 3mh3 h TYR 132 N 0.69 0.29 -0.41 1.37 3.20 -1.04 -1.41 116.97 119.67 3mh3 h TYR 132 Ca 0.11 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3mh3 h TYR 132 Cb 0.62 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 3mh3 h TYR 132 CO 0.03 0.14 0.26 1.96 -1.64 0.00 0.00 178.16 178.91 3mh3 h GLN 133 N 0.33 0.54 -0.37 1.82 4.20 -0.68 0.06 115.11 121.02 3mh3 h GLN 133 Ca 0.17 -0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.91 3mh3 h GLN 133 Cb 0.11 -0.12 -0.07 0.00 0.30 0.00 0.00 27.48 27.70 3mh3 h GLN 133 CO -0.14 0.38 -0.10 0.82 -0.67 0.00 0.00 178.83 179.12 3mh3 h ILE 134 N 0.54 0.62 0.00 2.54 2.04 -0.84 -1.60 117.51 120.81 3mh3 h ILE 134 Ca 0.15 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.94 3mh3 h ILE 134 Cb -0.03 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 3mh3 h ILE 134 CO -0.03 0.00 -0.33 -0.07 0.00 0.00 0.00 178.15 177.72 3mh3 h LEU 135 N -0.01 0.00 -0.30 1.44 3.38 -0.71 0.14 115.31 119.25 3mh3 h LEU 135 Ca 0.18 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 3mh3 h LEU 135 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3mh3 h LEU 135 CO -0.39 0.33 -0.05 -0.09 0.09 0.00 0.00 178.44 178.33 3mh3 h ARG 136 N 0.00 0.56 -0.20 1.13 2.43 -0.48 -0.19 114.38 117.64 3mh3 h ARG 136 Ca -0.00 -0.20 -0.13 0.00 -0.81 0.00 0.00 59.98 58.83 3mh3 h ARG 136 Cb 1.03 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 3mh3 h ARG 136 CO 0.04 0.74 -0.44 0.78 -1.51 0.00 0.00 179.97 179.58 3mh3 h GLY 137 N 0.33 0.54 1.29 2.80 0.00 -1.03 -2.82 103.07 104.18 3mh3 h GLY 137 Ca 0.08 -0.55 -0.15 0.00 0.00 0.00 0.00 47.33 46.70 3mh3 h GLY 137 CO 0.03 0.50 -0.41 -2.00 0.00 0.00 0.00 176.54 174.66 3mh3 h LEU 138 N 0.40 0.83 -0.38 3.11 5.85 -0.92 0.21 115.31 124.40 3mh3 h LEU 138 Ca 0.03 -0.38 0.07 0.00 0.84 0.00 0.00 57.88 58.44 3mh3 h LEU 138 Cb 0.94 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.67 3mh3 h LEU 138 CO 0.08 1.13 0.01 0.50 -0.34 0.00 0.00 178.44 179.82 3mh3 h LYS 139 N 0.63 0.11 -0.27 1.25 3.64 -1.01 0.20 116.57 121.13 3mh3 h LYS 139 Ca 0.05 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3mh3 h LYS 139 Cb 0.97 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 3mh3 h LYS 139 CO 0.09 0.07 0.12 -0.92 -2.27 0.00 0.00 179.45 176.54 3mh3 h TYR 140 N 0.11 0.22 0.07 1.91 3.20 -1.11 0.25 116.97 121.64 3mh3 h TYR 140 Ca 0.19 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 3mh3 h TYR 140 Cb 0.26 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.47 3mh3 h TYR 140 CO -0.25 0.12 -0.04 0.82 -1.64 0.00 0.00 178.16 177.17 3mh3 h ILE 141 N 0.26 0.93 -0.84 1.81 1.08 -0.10 -2.51 117.51 118.14 3mh3 h ILE 141 Ca 0.11 -0.02 0.02 0.00 -0.39 0.00 0.00 64.86 64.58 3mh3 h ILE 141 Cb 0.05 0.95 -0.04 0.00 -3.07 0.00 0.00 36.82 34.70 3mh3 h ILE 141 CO -0.09 0.01 0.55 0.45 -0.69 0.00 0.00 178.15 178.38 3mh3 h HIS 142 N -0.11 1.04 0.00 1.37 3.86 -0.86 -1.66 115.15 118.78 3mh3 h HIS 142 Ca -0.01 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3mh3 h HIS 142 Cb 0.08 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.20 3mh3 h HIS 142 CO -0.07 0.63 0.00 0.66 0.86 0.00 0.00 177.93 180.01 3mh3 h SER 143 N 1.10 0.00 0.03 2.45 4.64 -0.51 0.16 113.55 121.42 3mh3 h SER 143 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3mh3 h SER 143 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3mh3 h SER 143 CO -0.08 0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 175.86 3mh3 n ALA 144 N -1.84 2.64 -1.77 5.18 0.00 -0.64 -4.59 120.51 119.49 3mh3 n ALA 144 Ca 0.01 -0.34 -0.13 0.00 0.00 0.00 0.00 53.44 52.98 3mh3 n ALA 144 Cb 0.20 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 3mh3 n ALA 144 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3mh3 n ASP 145 N -0.36 -4.33 -4.82 0.00 4.64 0.56 -3.80 116.55 108.44 3mh3 n ASP 145 Ca 0.20 0.17 -0.37 0.00 -1.38 0.00 0.00 54.79 53.41 3mh3 n ASP 145 Cb 0.26 -3.22 -0.06 0.00 -1.04 0.00 0.00 41.12 37.05 3mh3 n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3mh3 s ILE 146 N -2.56 5.32 -0.20 5.18 1.01 -1.12 -5.03 121.20 123.81 3mh3 s ILE 146 Ca 0.00 0.47 -0.09 0.00 0.00 0.00 0.00 60.65 61.03 3mh3 s ILE 146 Cb 0.00 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 3mh3 s ILE 146 CO 0.00 0.55 0.10 -0.63 0.00 0.00 0.00 174.94 174.96 3mh3 s ILE 147 N -0.64 5.17 -0.02 2.92 1.01 -1.26 -3.97 121.20 124.41 3mh3 s ILE 147 Ca 0.17 0.10 -0.21 0.00 0.00 0.00 0.00 60.65 60.72 3mh3 s ILE 147 Cb -0.14 -3.35 -0.13 0.00 0.01 0.00 0.00 42.46 38.86 3mh3 s ILE 147 CO 0.06 0.44 0.89 -0.74 0.00 0.00 0.00 174.94 175.60 3mh3 h HIS 148 N 6.72 -0.50 0.00 3.97 -0.00 -1.96 -3.47 115.15 119.91 3mh3 h HIS 148 Ca -0.39 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 59.97 3mh3 h HIS 148 Cb 1.16 0.17 0.00 0.00 -0.00 0.00 0.00 27.41 28.73 3mh3 h HIS 148 CO 0.58 -0.20 0.00 0.54 -0.00 0.00 0.00 177.93 178.84 3mh3 n ARG 149 N -5.15 0.00 -2.72 5.26 1.74 -1.26 -4.77 116.66 109.77 3mh3 n ARG 149 Ca -0.09 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.93 3mh3 n ARG 149 Cb 0.27 -0.85 0.04 0.00 -1.02 0.00 0.00 32.46 30.90 3mh3 n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3mh3 n ASP 150 N 0.00 1.31 -4.64 0.55 4.64 -1.26 -5.02 116.55 112.12 3mh3 n ASP 150 Ca 0.00 -2.48 -0.43 0.00 -1.38 0.00 0.00 54.79 50.50 3mh3 n ASP 150 Cb 0.00 -0.44 -0.02 0.00 -1.04 0.00 0.00 41.12 39.62 3mh3 n ASP 150 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3mh3 s LEU 151 N -3.35 4.01 0.20 -2.67 1.43 -1.26 -4.77 118.68 112.27 3mh3 s LEU 151 Ca 0.27 1.45 -0.21 0.00 -1.03 0.00 0.00 54.13 54.60 3mh3 s LEU 151 Cb 0.42 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 43.14 3mh3 s LEU 151 CO 0.01 -0.97 0.62 -1.59 0.23 0.00 0.00 176.35 174.65 3mh3 s LYS 152 N 3.94 1.44 0.50 1.70 -2.85 -1.26 -4.81 119.74 118.40 3mh3 s LYS 152 Ca 0.57 -0.71 0.22 0.00 -1.00 0.00 0.00 55.97 55.06 3mh3 s LYS 152 Cb -0.20 0.58 1.29 0.00 -2.06 0.00 0.00 37.83 37.45 3mh3 s LYS 152 CO 0.20 -0.64 1.99 -1.35 0.10 0.00 0.00 175.35 175.65 3mh3 h PRO 153 N 2.05 0.11 0.00 1.78 0.11 -1.94 0.20 132.00 134.31 3mh3 h PRO 153 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3mh3 h PRO 153 Cb 1.28 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3mh3 h PRO 153 CO 0.34 0.07 0.00 0.66 -0.21 0.00 0.00 178.00 178.86 3mh3 h SER 154 N 0.12 0.00 -0.34 -2.05 4.64 -1.95 -2.58 113.55 111.38 3mh3 h SER 154 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3mh3 h SER 154 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3mh3 h SER 154 CO -0.03 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.52 3mh3 n ASN 155 N -2.83 3.38 -3.97 4.97 3.02 0.69 -3.93 115.26 116.59 3mh3 n ASN 155 Ca 0.03 -2.42 -0.28 0.00 -0.03 0.00 0.00 54.58 51.88 3mh3 n ASN 155 Cb 0.42 -0.55 -0.17 0.00 -0.61 0.00 0.00 39.78 38.88 3mh3 n ASN 155 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3mh3 s LEU 156 N -1.43 1.44 -0.08 3.41 1.43 -1.15 -1.49 118.68 120.79 3mh3 s LEU 156 Ca 0.30 -0.38 -0.20 0.00 -1.03 0.00 0.00 54.13 52.82 3mh3 s LEU 156 Cb 0.22 -0.99 -0.04 0.00 0.03 0.00 0.00 46.19 45.40 3mh3 s LEU 156 CO 0.11 -0.08 0.54 0.00 0.23 0.00 0.00 176.35 177.15 3mh3 s ALA 157 N 1.52 3.45 -0.07 4.21 0.00 0.12 -1.16 121.76 129.83 3mh3 s ALA 157 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.91 3mh3 s ALA 157 Cb -0.13 -2.72 0.02 0.00 0.00 0.00 0.00 23.12 20.29 3mh3 s ALA 157 CO -0.08 0.02 -0.05 0.08 0.00 0.00 0.00 175.76 175.73 3mh3 s VAL 158 N 0.46 0.70 0.72 0.00 1.01 -0.00 -1.24 120.40 122.05 3mh3 s VAL 158 Ca 0.29 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.08 3mh3 s VAL 158 Cb -0.16 -0.74 0.10 0.00 0.00 0.00 0.00 36.38 35.58 3mh3 s VAL 158 CO 0.13 0.29 1.01 0.54 0.00 0.00 0.00 175.10 177.07 3mh3 s ASN 159 N 1.34 4.49 0.54 3.32 2.20 -0.90 -4.11 114.94 121.82 3mh3 s ASN 159 Ca -0.04 0.04 0.24 0.00 -0.94 0.00 0.00 52.86 52.17 3mh3 s ASN 159 Cb -0.14 -0.55 1.41 0.00 -2.00 0.00 0.00 41.25 39.98 3mh3 s ASN 159 CO -0.03 -1.77 2.04 1.05 -2.94 0.00 0.00 177.10 175.45 3mh3 h GLU 160 N -0.60 0.00 0.00 3.55 4.11 -1.98 0.30 114.58 119.97 3mh3 h GLU 160 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.02 3mh3 h GLU 160 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3mh3 h GLU 160 CO 0.48 0.00 0.00 -3.47 0.07 0.00 0.00 179.01 176.09 3mh3 n ASP 161 N -4.30 0.00 -2.21 3.06 4.64 -1.26 -4.90 116.55 111.58 3mh3 n ASP 161 Ca 0.06 -1.70 -0.18 0.00 -1.38 0.00 0.00 54.79 51.60 3mh3 n ASP 161 Cb 0.47 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.52 3mh3 n ASP 161 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3mh3 s GLU 163 N -4.69 4.73 -0.01 0.00 2.02 -1.26 -4.76 118.70 114.72 3mh3 s GLU 163 Ca 0.00 1.34 0.05 0.00 0.02 0.00 0.00 54.97 56.38 3mh3 s GLU 163 Cb 0.00 -3.27 -0.01 0.00 0.10 0.00 0.00 34.13 30.94 3mh3 s GLU 163 CO 0.00 0.54 -0.16 -1.17 0.02 0.00 0.00 175.26 174.49 3mh3 s LEU 164 N -1.14 2.01 0.02 1.80 0.20 -1.26 -2.12 118.68 118.20 3mh3 s LEU 164 Ca 0.39 -0.29 0.03 0.00 0.69 0.00 0.00 54.13 54.95 3mh3 s LEU 164 Cb -0.25 -0.82 -0.02 0.00 -0.43 0.00 0.00 46.19 44.67 3mh3 s LEU 164 CO 0.29 0.19 -0.10 -1.59 -0.29 0.00 0.00 176.35 174.85 3mh3 s LYS 165 N -0.33 0.73 0.02 1.98 -2.85 -0.37 -4.27 119.74 114.64 3mh3 s LYS 165 Ca 0.05 -0.57 -0.30 0.00 -1.00 0.00 0.00 55.97 54.15 3mh3 s LYS 165 Cb -0.07 -0.67 -0.04 0.00 -2.06 0.00 0.00 37.83 35.00 3mh3 s LYS 165 CO -0.00 0.17 1.02 0.42 0.10 0.00 0.00 175.35 177.05 3mh3 s ILE 166 N -0.70 4.70 0.30 3.79 1.01 0.38 -0.70 121.20 129.97 3mh3 s ILE 166 Ca -0.00 1.95 0.10 0.00 0.00 0.00 0.00 60.65 62.69 3mh3 s ILE 166 Cb -0.06 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.11 3mh3 s ILE 166 CO 0.00 0.16 -0.01 -1.48 0.00 0.00 0.00 174.94 173.61 3mh3 s LEU 167 N 0.97 3.07 0.22 2.97 0.05 -0.56 -0.34 118.68 125.06 3mh3 s LEU 167 Ca 0.53 -0.81 -0.07 0.00 0.05 0.00 0.00 54.13 53.84 3mh3 s LEU 167 Cb -0.23 -1.54 0.17 0.00 -2.05 0.00 0.00 46.19 42.55 3mh3 s LEU 167 CO 0.28 -0.09 1.75 -2.24 -0.55 0.00 0.00 176.35 175.50 3mh3 h ASP 168 N 1.87 1.05 -4.05 1.48 3.04 -1.94 -3.46 116.42 114.40 3mh3 h ASP 168 Ca -0.43 -0.20 -0.12 0.00 -3.24 0.00 0.00 57.03 53.04 3mh3 h ASP 168 Cb 1.25 -0.27 -0.23 0.00 -1.04 0.00 0.00 39.33 39.03 3mh3 h ASP 168 CO 0.62 0.98 -0.23 -0.60 -2.04 0.00 0.00 179.24 177.98 3mh3 s ARG 169 N -5.36 0.52 1.01 4.15 3.00 -1.26 -5.03 118.95 115.98 3mh3 s ARG 169 Ca -0.12 0.47 -0.14 0.00 -1.00 0.00 0.00 55.73 54.94 3mh3 s ARG 169 Cb 0.15 0.25 0.09 0.00 0.00 0.00 0.00 34.95 35.44 3mh3 s ARG 169 CO 0.84 -0.08 0.42 0.41 0.00 0.00 0.00 175.30 176.89 3mh3 n GLY 170 N 2.61 -1.97 0.24 8.12 0.00 -1.26 -4.94 105.19 107.99 3mh3 n GLY 170 Ca -0.14 -0.79 0.10 0.00 0.00 0.00 0.00 46.02 45.19 3mh3 n GLY 170 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mh3 h LEU 171 N -1.82 0.00 -8.95 0.99 3.38 -1.97 -3.50 115.31 103.43 3mh3 h LEU 171 Ca -0.48 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 56.88 3mh3 h LEU 171 Cb 1.31 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.94 3mh3 h LEU 171 CO 0.37 0.20 0.19 0.00 0.09 0.00 0.00 178.44 179.29 3mh3 s ALA 184 N -4.08 3.58 0.15 1.53 0.00 -1.26 -4.61 121.76 117.07 3mh3 s ALA 184 Ca -0.02 -0.49 -0.21 0.00 0.00 0.00 0.00 51.96 51.24 3mh3 s ALA 184 Cb 0.13 -3.08 0.04 0.00 0.00 0.00 0.00 23.12 20.20 3mh3 s ALA 184 CO 0.63 -0.93 1.65 1.15 0.00 0.00 0.00 175.76 178.26 3mh3 h THR 185 N 5.47 0.49 -1.02 0.00 2.02 -1.99 -2.27 112.91 115.61 3mh3 h THR 185 Ca -0.26 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.21 3mh3 h THR 185 Cb 1.12 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 3mh3 h THR 185 CO 0.79 0.00 0.81 0.08 0.37 0.00 0.00 175.52 177.58 3mh3 h ARG 186 N -0.17 0.00 -0.00 6.66 0.11 -1.96 0.37 114.38 119.39 3mh3 h ARG 186 Ca 0.14 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.19 3mh3 h ARG 186 Cb 0.39 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.46 3mh3 h ARG 186 CO -0.36 0.00 -0.15 -1.49 0.10 0.00 0.00 179.97 178.07 3mh3 h TRP 187 N 0.00 0.00 -0.30 4.08 6.55 -1.65 -2.74 115.95 121.88 3mh3 h TRP 187 Ca 0.48 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.32 3mh3 h TRP 187 Cb 2.10 -0.00 0.00 0.00 -0.86 0.00 0.00 29.16 30.40 3mh3 h TRP 187 CO 0.00 0.15 0.00 0.66 -1.05 0.00 0.00 178.44 178.20 3mh3 n TYR 188 N -4.36 0.39 -3.06 0.49 4.02 0.13 -4.57 117.16 110.20 3mh3 n TYR 188 Ca -0.03 -0.31 -0.40 0.00 -0.01 0.00 0.00 57.90 57.16 3mh3 n TYR 188 Cb 0.22 -0.01 -0.05 0.00 -0.02 0.00 0.00 39.34 39.48 3mh3 n TYR 188 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3mh3 s ARG 189 N -1.10 4.43 0.33 -0.72 1.81 -1.04 -3.71 118.95 118.96 3mh3 s ARG 189 Ca 0.26 0.89 -0.27 0.00 -1.72 0.00 0.00 55.73 54.89 3mh3 s ARG 189 Cb 0.15 -3.42 -0.13 0.00 -0.45 0.00 0.00 34.95 31.10 3mh3 s ARG 189 CO 0.20 0.13 1.08 0.00 -0.68 0.00 0.00 175.30 176.03 3mh3 n ALA 190 N 3.53 0.26 -0.33 2.13 0.00 -1.26 -4.87 120.51 119.97 3mh3 n ALA 190 Ca -0.02 0.35 0.05 0.00 0.00 0.00 0.00 53.44 53.82 3mh3 n ALA 190 Cb 0.51 -2.09 0.23 0.00 0.00 0.00 0.00 19.45 18.10 3mh3 n ALA 190 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3mh3 h PRO 191 N 2.06 1.01 -0.42 0.00 0.13 -1.95 -1.06 132.00 131.77 3mh3 h PRO 191 Ca -0.42 -0.06 0.06 0.00 -0.87 0.00 0.00 66.00 64.70 3mh3 h PRO 191 Cb 1.32 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3mh3 h PRO 191 CO 0.60 0.67 0.28 1.05 -0.23 0.00 0.00 178.00 180.37 3mh3 h GLU 192 N 1.04 0.32 -0.26 0.86 9.09 -1.90 -0.32 114.58 123.40 3mh3 h GLU 192 Ca 0.43 -0.02 -0.10 0.00 0.05 0.00 0.00 59.36 59.72 3mh3 h GLU 192 Cb 0.30 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 27.31 3mh3 h GLU 192 CO -0.19 0.21 -0.26 0.82 0.05 0.00 0.00 179.01 179.64 3mh3 h ILE 193 N 0.33 1.27 0.00 -1.06 2.04 -1.54 -2.12 117.51 116.44 3mh3 h ILE 193 Ca 0.18 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.73 3mh3 h ILE 193 Cb 0.30 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 3mh3 h ILE 193 CO -0.04 0.42 -0.03 0.23 0.00 0.00 0.00 178.15 178.72 3mh3 n MET 194 N -4.11 0.04 -0.19 2.37 2.81 -0.17 -1.95 117.12 115.91 3mh3 n MET 194 Ca -0.00 0.03 0.09 0.00 -1.81 0.00 0.00 57.70 56.01 3mh3 n MET 194 Cb 0.42 -1.54 0.26 0.00 -0.71 0.00 0.00 33.22 31.65 3mh3 n MET 194 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3mh3 n LEU 195 N -1.60 2.54 -2.48 4.03 4.77 -0.95 -4.96 117.00 118.35 3mh3 n LEU 195 Ca 0.07 -1.19 -0.18 0.00 -0.03 0.00 0.00 56.01 54.68 3mh3 n LEU 195 Cb 0.35 -0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 3mh3 n LEU 195 CO 0.28 0.59 -0.21 -3.20 -1.33 0.00 0.00 177.39 173.53 3mh3 n ASN 196 N 0.89 -5.16 -0.06 -1.43 5.15 -0.82 -4.82 115.26 109.01 3mh3 n ASN 196 Ca 0.17 0.03 0.24 0.00 -0.60 0.00 0.00 54.58 54.43 3mh3 n ASN 196 Cb 0.43 -4.31 0.72 0.00 -0.53 0.00 0.00 39.78 36.09 3mh3 n ASN 196 CO 0.00 0.00 0.00 -0.25 1.40 0.00 0.00 177.26 178.41 3mh3 h TRP 197 N -0.11 0.00 0.00 1.20 2.91 -1.64 -3.46 115.95 114.85 3mh3 h TRP 197 Ca -0.42 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.60 3mh3 h TRP 197 Cb 1.31 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.96 3mh3 h TRP 197 CO 0.61 0.00 0.00 -1.33 -1.03 0.00 0.00 178.44 176.69 3mh3 n MET 198 N -4.08 0.00 -1.87 2.65 2.81 -1.26 -4.86 117.12 110.51 3mh3 n MET 198 Ca 0.13 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.64 3mh3 n MET 198 Cb 0.79 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 33.29 3mh3 n MET 198 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3mh3 n HIS 199 N 0.00 2.43 -2.21 2.03 8.25 -1.26 -4.98 115.22 119.48 3mh3 n HIS 199 Ca 0.00 -2.71 -0.41 0.00 -0.26 0.00 0.00 57.72 54.34 3mh3 n HIS 199 Cb 0.00 -1.82 -0.03 0.00 1.12 0.00 0.00 29.99 29.26 3mh3 n HIS 199 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3mh3 s TYR 200 N -0.99 3.22 0.61 4.41 2.02 -1.26 -5.03 117.35 120.33 3mh3 s TYR 200 Ca 0.56 1.34 0.04 0.00 -0.37 0.00 0.00 57.07 58.64 3mh3 s TYR 200 Cb 0.21 -3.59 0.09 0.00 -0.40 0.00 0.00 41.96 38.26 3mh3 s TYR 200 CO -0.11 -1.73 0.84 0.54 -1.57 0.00 0.00 175.55 173.52 3mh3 s ASN 201 N -0.08 4.89 0.56 2.29 4.22 -1.26 -4.97 114.94 120.59 3mh3 s ASN 201 Ca 0.53 -0.51 0.35 0.00 -2.14 0.00 0.00 52.86 51.08 3mh3 s ASN 201 Cb -0.37 -0.07 1.48 0.00 1.28 0.00 0.00 41.25 43.57 3mh3 s ASN 201 CO 0.43 -1.46 1.76 1.56 -2.04 0.00 0.00 177.10 177.36 3mh3 h GLN 202 N -0.06 0.00 0.00 3.55 4.20 -1.96 -2.26 115.11 118.58 3mh3 h GLN 202 Ca -0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.36 3mh3 h GLN 202 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 3mh3 h GLN 202 CO 0.42 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.83 3mh3 n THR 203 N -3.98 0.42 0.08 -0.54 -2.24 -1.26 -0.73 114.28 106.03 3mh3 n THR 203 Ca 0.23 0.11 0.15 0.00 -2.27 0.00 0.00 64.05 62.27 3mh3 n THR 203 Cb 1.20 -0.81 0.66 0.00 -2.10 0.00 0.00 70.33 69.27 3mh3 n THR 203 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3mh3 h VAL 204 N 0.00 0.84 0.00 2.28 -1.51 -1.78 -1.80 116.25 114.27 3mh3 h VAL 204 Ca 0.00 -0.01 -0.17 0.00 -1.23 0.00 0.00 66.70 65.29 3mh3 h VAL 204 Cb 0.15 0.80 -0.02 0.00 -2.13 0.00 0.00 31.29 30.09 3mh3 h VAL 204 CO 0.00 0.01 -0.82 0.44 -1.23 0.00 0.00 177.57 175.97 3mh3 h ASP 205 N 0.04 0.00 -0.50 4.19 3.45 -1.18 -3.08 116.42 119.34 3mh3 h ASP 205 Ca 0.17 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.60 3mh3 h ASP 205 Cb 0.63 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.38 3mh3 h ASP 205 CO -0.01 0.82 0.19 0.40 -1.57 0.00 0.00 179.24 179.07 3mh3 h ILE 206 N 0.00 1.21 -0.68 0.35 1.08 -1.47 -0.92 117.51 117.09 3mh3 h ILE 206 Ca -0.01 -0.67 0.14 0.00 -0.39 0.00 0.00 64.86 63.93 3mh3 h ILE 206 Cb 1.46 0.73 -0.12 0.00 -3.07 0.00 0.00 36.82 35.82 3mh3 h ILE 206 CO 0.11 0.25 -0.08 -0.25 -0.69 0.00 0.00 178.15 177.49 3mh3 h TRP 207 N 0.66 -0.20 -0.73 1.37 2.91 -1.46 0.95 115.95 119.45 3mh3 h TRP 207 Ca 0.16 0.06 -0.06 0.00 1.13 0.00 0.00 58.89 60.18 3mh3 h TRP 207 Cb 0.21 0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 29.02 3mh3 h TRP 207 CO 0.01 -0.25 0.23 0.77 -1.03 0.00 0.00 178.44 178.16 3mh3 h SER 208 N 0.05 1.07 -0.70 2.65 0.02 -1.31 -1.61 113.55 113.73 3mh3 h SER 208 Ca 0.35 -0.20 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 3mh3 h SER 208 Cb 0.56 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 3mh3 h SER 208 CO -0.64 0.99 0.23 0.58 -1.14 0.00 0.00 176.83 176.85 3mh3 h VAL 209 N 1.09 1.25 -0.68 2.27 2.07 -0.52 -1.25 116.25 120.49 3mh3 h VAL 209 Ca 0.24 -0.85 0.04 0.00 0.82 0.00 0.00 66.70 66.94 3mh3 h VAL 209 Cb 0.31 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 3mh3 h VAL 209 CO -0.01 0.33 0.41 1.23 0.02 0.00 0.00 177.57 179.56 3mh3 h GLY 210 N 1.02 0.98 1.06 2.17 0.00 -0.39 0.26 103.07 108.17 3mh3 h GLY 210 Ca 0.23 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 3mh3 h GLY 210 CO -0.01 0.23 0.23 0.00 0.00 0.00 0.00 176.54 176.99 3mh3 h ILE 212 N 1.12 1.34 -0.29 0.00 2.04 -1.02 -2.52 117.51 118.18 3mh3 h ILE 212 Ca 0.24 -1.05 0.07 0.00 1.00 0.00 0.00 64.86 65.11 3mh3 h ILE 212 Cb 0.32 1.99 -0.07 0.00 -0.74 0.00 0.00 36.82 38.32 3mh3 h ILE 212 CO -0.01 0.28 -0.21 -0.03 0.00 0.00 0.00 178.15 178.19 3mh3 h MET 213 N -0.35 -0.18 -0.68 2.37 4.05 -0.86 -0.95 114.93 118.33 3mh3 h MET 213 Ca 0.01 0.01 0.15 0.00 -0.28 0.00 0.00 59.70 59.59 3mh3 h MET 213 Cb 0.47 0.04 -0.11 0.00 -0.80 0.00 0.00 31.60 31.19 3mh3 h MET 213 CO 0.01 -0.12 0.02 0.00 0.23 0.00 0.00 176.91 177.05 3mh3 h ALA 214 N 0.95 0.71 -0.28 0.39 0.00 -1.26 0.26 119.26 120.03 3mh3 h ALA 214 Ca 0.15 0.21 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 3mh3 h ALA 214 Cb 0.42 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3mh3 h ALA 214 CO -0.40 -0.40 -0.17 1.49 0.00 0.00 0.00 179.25 179.78 3mh3 h GLU 215 N 0.13 0.50 -0.11 0.00 4.81 -1.00 -1.01 114.58 117.89 3mh3 h GLU 215 Ca 0.37 -0.16 -0.17 0.00 -0.13 0.00 0.00 59.36 59.27 3mh3 h GLU 215 Cb 0.62 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 3mh3 h GLU 215 CO -0.58 0.65 -0.63 -0.07 -0.73 0.00 0.00 179.01 177.65 3mh3 h LEU 216 N 0.45 0.48 -0.32 1.64 3.38 0.40 0.69 115.31 122.03 3mh3 h LEU 216 Ca 0.08 -0.29 -0.20 0.00 0.09 0.00 0.00 57.88 57.56 3mh3 h LEU 216 Cb 0.56 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3mh3 h LEU 216 CO 0.04 0.99 -0.78 -0.07 0.09 0.00 0.00 178.44 178.71 3mh3 h LEU 217 N 0.31 0.56 0.00 1.67 3.38 -0.90 -3.37 115.31 116.95 3mh3 h LEU 217 Ca -0.01 -0.38 -0.16 0.00 0.09 0.00 0.00 57.88 57.42 3mh3 h LEU 217 Cb 1.18 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 3mh3 h LEU 217 CO 0.11 1.14 -2.16 0.41 0.09 0.00 0.00 178.44 178.03 3mh3 n THR 218 N -3.83 0.59 -0.99 0.22 -1.04 -0.42 -4.95 114.28 103.86 3mh3 n THR 218 Ca -0.05 -0.65 0.00 0.00 -2.04 0.00 0.00 64.05 61.31 3mh3 n THR 218 Cb 0.74 -0.19 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 3mh3 n THR 218 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mh3 n GLY 219 N 1.47 0.25 3.18 3.41 0.00 0.22 -5.02 105.19 108.70 3mh3 n GLY 219 Ca -0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 3mh3 n GLY 219 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mh3 s ARG 220 N -1.03 1.37 -0.05 1.61 0.52 -1.23 -5.05 118.95 115.09 3mh3 s ARG 220 Ca 0.00 -0.70 -0.37 0.00 -0.52 0.00 0.00 55.73 54.15 3mh3 s ARG 220 Cb 0.00 -1.36 -0.15 0.00 0.52 0.00 0.00 34.95 33.96 3mh3 s ARG 220 CO 0.00 0.37 1.61 2.41 0.02 0.00 0.00 175.30 179.71 3mh3 n THR 221 N 2.43 0.21 -0.28 0.02 -1.04 -1.26 -3.94 114.28 110.42 3mh3 n THR 221 Ca -0.15 -0.04 -0.06 0.00 -2.04 0.00 0.00 64.05 61.76 3mh3 n THR 221 Cb 0.54 -1.28 0.06 0.00 -1.82 0.00 0.00 70.33 67.83 3mh3 n THR 221 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3mh3 h LEU 222 N 6.54 1.01 -6.29 -4.42 5.85 -1.92 -3.37 115.31 112.72 3mh3 h LEU 222 Ca -0.47 -0.15 -0.58 0.00 0.84 0.00 0.00 57.88 57.52 3mh3 h LEU 222 Cb 1.30 -0.26 -0.39 0.00 0.37 0.00 0.00 40.66 41.68 3mh3 h LEU 222 CO 0.89 0.88 -0.96 0.49 -0.34 0.00 0.00 178.44 179.40 3mh3 n PHE 223 N -4.36 -0.03 -0.99 1.25 0.99 -1.26 -5.01 117.46 108.05 3mh3 n PHE 223 Ca 0.07 -3.55 -0.30 0.00 -0.00 0.00 0.00 57.45 53.67 3mh3 n PHE 223 Cb 0.15 -0.09 -0.02 0.00 -1.00 0.00 0.00 39.48 38.52 3mh3 n PHE 223 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3mh3 n PRO 224 N 2.11 2.54 -1.72 -1.08 -0.04 -1.26 -4.59 135.00 130.95 3mh3 n PRO 224 Ca 0.26 -1.76 -0.42 0.00 -0.04 0.00 0.00 63.50 61.54 3mh3 n PRO 224 Cb 0.48 -2.64 -0.00 0.00 -0.04 0.00 0.00 33.50 31.30 3mh3 n PRO 224 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mh3 n GLY 225 N 3.80 0.78 0.08 0.55 0.00 -1.26 -4.94 105.19 104.19 3mh3 n GLY 225 Ca 0.55 0.29 -0.09 0.00 0.00 0.00 0.00 46.02 46.77 3mh3 n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mh3 h THR 226 N 2.58 1.37 -2.38 2.61 1.03 -1.92 -3.46 112.91 112.73 3mh3 h THR 226 Ca -0.48 -3.10 -0.05 0.00 -0.01 0.00 0.00 66.41 62.77 3mh3 h THR 226 Cb 1.27 2.72 -0.01 0.00 -1.07 0.00 0.00 68.15 71.06 3mh3 h THR 226 CO 0.62 0.81 -0.01 -0.90 -0.01 0.00 0.00 175.52 176.04 3mh3 n ASP 227 N -3.29 -0.36 0.12 0.00 5.68 -1.26 -5.03 116.55 112.41 3mh3 n ASP 227 Ca -0.08 -1.40 -0.03 0.00 -0.50 0.00 0.00 54.79 52.78 3mh3 n ASP 227 Cb 0.99 0.65 0.11 0.00 -1.14 0.00 0.00 41.12 41.73 3mh3 n ASP 227 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 3mh3 h HIS 228 N 1.22 0.01 -0.01 2.11 3.86 -1.99 -0.93 115.15 119.43 3mh3 h HIS 228 Ca -0.06 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.14 3mh3 h HIS 228 Cb 0.27 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.74 3mh3 h HIS 228 CO 0.00 0.70 -0.01 0.82 0.86 0.00 0.00 177.93 180.30 3mh3 h ILE 229 N 0.01 1.36 -0.74 2.45 1.08 -1.97 -2.69 117.51 117.00 3mh3 h ILE 229 Ca -0.01 -1.07 0.11 0.00 -0.39 0.00 0.00 64.86 63.51 3mh3 h ILE 229 Cb 1.23 2.05 -0.08 0.00 -3.07 0.00 0.00 36.82 36.95 3mh3 h ILE 229 CO 0.09 0.28 0.35 -0.78 -0.69 0.00 0.00 178.15 177.40 3mh3 h ASP 230 N -0.41 0.41 -0.35 1.72 -0.00 -1.92 -2.60 116.42 113.28 3mh3 h ASP 230 Ca 0.00 0.08 0.05 0.00 -0.00 0.00 0.00 57.03 57.17 3mh3 h ASP 230 Cb 0.46 0.02 -0.05 0.00 -0.00 0.00 0.00 39.33 39.76 3mh3 h ASP 230 CO 0.00 0.21 0.04 -0.61 -0.00 0.00 0.00 179.24 178.89 3mh3 h GLN 231 N 0.56 0.15 -0.50 0.28 5.75 -1.09 -1.21 115.11 119.06 3mh3 h GLN 231 Ca 0.38 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.87 3mh3 h GLN 231 Cb 0.48 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 3mh3 h GLN 231 CO -0.32 0.10 0.30 -0.07 -2.65 0.00 0.00 178.83 176.19 3mh3 h LEU 232 N 0.15 0.58 -0.17 -2.39 4.07 -1.13 -1.49 115.31 114.94 3mh3 h LEU 232 Ca 0.17 -0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.10 3mh3 h LEU 232 Cb 0.20 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 3mh3 h LEU 232 CO -0.24 0.45 0.10 0.50 -1.08 0.00 0.00 178.44 178.17 3mh3 h LYS 233 N 0.68 0.23 -0.19 1.13 1.63 -0.92 -1.58 116.57 117.54 3mh3 h LYS 233 Ca 0.18 -0.02 -0.17 0.00 -0.85 0.00 0.00 60.65 59.78 3mh3 h LYS 233 Cb -0.03 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.56 3mh3 h LYS 233 CO -0.03 0.19 -0.56 -0.07 -3.45 0.00 0.00 179.45 175.53 3mh3 h LEU 234 N 0.19 0.82 -0.11 5.20 3.38 -0.80 -2.37 115.31 121.63 3mh3 h LEU 234 Ca 0.06 -0.58 0.04 0.00 0.09 0.00 0.00 57.88 57.49 3mh3 h LEU 234 Cb 0.03 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 3mh3 h LEU 234 CO -0.01 1.26 -0.18 0.40 0.09 0.00 0.00 178.44 180.00 3mh3 h ILE 235 N 0.43 0.54 -0.49 1.22 2.04 -1.26 -2.96 117.51 117.03 3mh3 h ILE 235 Ca -0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.87 3mh3 h ILE 235 Cb 1.18 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 3mh3 h ILE 235 CO 0.12 0.00 0.33 -0.07 0.00 0.00 0.00 178.15 178.53 3mh3 h LEU 236 N -0.23 0.51 -1.19 1.44 3.38 -1.06 -1.86 115.31 116.30 3mh3 h LEU 236 Ca 0.09 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3mh3 h LEU 236 Cb 0.37 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 3mh3 h LEU 236 CO -0.25 0.36 0.55 0.03 0.09 0.00 0.00 178.44 179.23 3mh3 h ARG 237 N 0.60 1.02 0.18 1.13 3.08 -1.26 0.78 114.38 119.92 3mh3 h ARG 237 Ca 0.19 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 3mh3 h ARG 237 Cb 0.04 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 29.86 3mh3 h ARG 237 CO -0.05 0.68 -0.09 1.25 -1.07 0.00 0.00 179.97 180.69 3mh3 h LEU 238 N 1.05 -0.21 0.00 3.04 5.85 -1.36 -3.38 115.31 120.31 3mh3 h LEU 238 Ca 0.33 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3mh3 h LEU 238 Cb 0.01 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3mh3 h LEU 238 CO -0.10 0.29 -0.54 1.33 -0.34 0.00 0.00 178.44 179.08 3mh3 n VAL 239 N -4.94 0.10 0.00 1.05 0.24 -0.75 -1.71 118.33 112.33 3mh3 n VAL 239 Ca -0.04 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 3mh3 n VAL 239 Cb 0.13 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 3mh3 n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3mh3 n GLY 240 N 1.45 -1.65 3.67 7.63 0.00 0.27 -4.44 105.19 112.12 3mh3 n GLY 240 Ca 0.05 -1.55 -0.38 0.00 0.00 0.00 0.00 46.02 44.15 3mh3 n GLY 240 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mh3 n THR 241 N -1.40 4.16 -2.12 2.61 -2.24 -1.12 -4.77 114.28 109.41 3mh3 n THR 241 Ca 0.00 -0.50 -0.41 0.00 -2.27 0.00 0.00 64.05 60.87 3mh3 n THR 241 Cb 0.00 -1.32 -0.02 0.00 -2.10 0.00 0.00 70.33 66.88 3mh3 n THR 241 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3mh3 s PRO 242 N -2.98 4.34 1.30 -0.78 0.02 -1.26 -5.00 135.00 130.64 3mh3 s PRO 242 Ca 0.78 2.19 -0.19 0.00 0.02 0.00 0.00 61.00 63.80 3mh3 s PRO 242 Cb -0.41 -3.11 0.32 0.00 0.02 0.00 0.00 34.50 31.33 3mh3 s PRO 242 CO 0.45 -0.26 1.00 0.20 -0.33 0.00 0.00 177.00 178.05 3mh3 s GLY 243 N -0.06 1.48 0.16 0.52 0.00 -1.26 -4.70 107.32 103.47 3mh3 s GLY 243 Ca 0.54 -0.67 -0.16 0.00 0.00 0.00 0.00 44.72 44.42 3mh3 s GLY 243 CO 0.46 0.23 1.73 0.00 0.00 0.00 0.00 173.10 175.52 3mh3 h ALA 244 N -3.00 0.41 0.00 3.20 0.00 -1.99 -1.53 119.26 116.35 3mh3 h ALA 244 Ca -0.49 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3mh3 h ALA 244 Cb 1.33 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3mh3 h ALA 244 CO 0.36 -0.33 0.00 1.49 0.00 0.00 0.00 179.25 180.78 3mh3 h GLU 245 N 0.20 0.00 0.00 0.00 4.81 -2.01 -2.52 114.58 115.07 3mh3 h GLU 245 Ca 0.18 0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 59.04 3mh3 h GLU 245 Cb 0.21 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 3mh3 h GLU 245 CO -0.24 0.00 -2.36 1.28 -0.73 0.00 0.00 179.01 176.96 3mh3 n LEU 246 N -2.70 2.58 -0.19 1.64 4.77 -0.96 -4.41 117.00 117.73 3mh3 n LEU 246 Ca -0.02 0.02 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 3mh3 n LEU 246 Cb 0.09 -0.79 0.40 0.00 -2.33 0.00 0.00 43.42 40.79 3mh3 n LEU 246 CO 0.16 0.77 1.21 -0.07 -1.33 0.00 0.00 177.39 178.14 3mh3 h LEU 247 N -0.29 0.57 -0.16 2.23 3.38 -1.11 0.18 115.31 120.11 3mh3 h LEU 247 Ca -0.56 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.43 3mh3 h LEU 247 Cb 1.73 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.38 3mh3 h LEU 247 CO -0.18 0.34 0.00 2.29 0.09 0.00 0.00 178.44 180.98 3mh3 n LYS 248 N -4.50 0.03 0.00 1.13 2.85 -0.96 -1.66 118.16 115.05 3mh3 n LYS 248 Ca 0.13 0.35 0.12 0.00 -1.05 0.00 0.00 58.31 57.85 3mh3 n LYS 248 Cb 0.36 -1.57 0.20 0.00 -0.65 0.00 0.00 35.03 33.37 3mh3 n LYS 248 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3mh3 n LYS 249 N -1.63 0.48 -2.86 -1.58 5.02 0.05 -4.84 118.16 112.79 3mh3 n LYS 249 Ca 0.02 -0.32 -0.43 0.00 -2.02 0.00 0.00 58.31 55.56 3mh3 n LYS 249 Cb 0.13 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.61 3mh3 n LYS 249 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3mh3 s ILE 250 N -2.75 4.44 0.14 -0.18 1.01 -0.67 -4.90 121.20 118.30 3mh3 s ILE 250 Ca 0.16 0.37 0.11 0.00 0.00 0.00 0.00 60.65 61.29 3mh3 s ILE 250 Cb 0.18 -4.49 -0.06 0.00 0.01 0.00 0.00 42.46 38.10 3mh3 s ILE 250 CO 0.64 -1.01 1.48 0.77 0.00 0.00 0.00 174.94 176.82 3mh3 h SER 251 N 9.22 0.00 -2.97 3.58 4.64 -1.88 -3.43 113.55 122.70 3mh3 h SER 251 Ca -0.26 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.50 3mh3 h SER 251 Cb 1.08 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.13 3mh3 h SER 251 CO 1.06 0.71 1.06 -0.55 -0.87 0.00 0.00 176.83 178.24 3mh3 s SER 252 N -6.68 6.47 0.22 4.97 0.15 -1.26 -4.88 113.70 112.69 3mh3 s SER 252 Ca 0.01 1.35 -0.08 0.00 0.70 0.00 0.00 55.95 57.92 3mh3 s SER 252 Cb 0.11 -2.54 0.32 0.00 -1.71 0.00 0.00 66.02 62.20 3mh3 s SER 252 CO 0.77 -1.23 1.74 -0.08 1.20 0.00 0.00 173.24 175.65 3mh3 h GLU 253 N 10.24 0.42 -0.53 5.44 4.57 -1.99 -1.04 114.58 131.70 3mh3 h GLU 253 Ca -0.30 -0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 57.73 3mh3 h GLU 253 Cb 1.13 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.60 3mh3 h GLU 253 CO 1.03 0.28 -0.15 0.77 -1.18 0.00 0.00 179.01 179.76 3mh3 h SER 254 N 0.43 1.04 -0.04 1.04 0.02 -1.98 0.89 113.55 114.95 3mh3 h SER 254 Ca 0.34 -0.36 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3mh3 h SER 254 Cb 0.43 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 3mh3 h SER 254 CO -0.33 1.17 0.02 0.00 -1.14 0.00 0.00 176.83 176.54 3mh3 h ALA 255 N 0.91 0.05 -0.28 3.77 0.00 -1.90 -0.19 119.26 121.63 3mh3 h ALA 255 Ca 0.13 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3mh3 h ALA 255 Cb 0.72 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 3mh3 h ALA 255 CO 0.06 -0.38 -0.14 0.00 0.00 0.00 0.00 179.25 178.79 3mh3 h ARG 256 N -0.09 -0.09 -0.30 0.00 3.08 -1.02 0.30 114.38 116.25 3mh3 h ARG 256 Ca 0.01 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3mh3 h ARG 256 Cb 0.15 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3mh3 h ARG 256 CO -0.00 -0.06 0.19 -0.91 -1.07 0.00 0.00 179.97 178.12 3mh3 h ASN 257 N -0.10 0.36 -0.39 7.04 2.35 -0.74 -0.35 115.58 123.76 3mh3 h ASN 257 Ca 0.15 -0.03 0.02 0.00 -0.55 0.00 0.00 56.30 55.89 3mh3 h ASN 257 Cb 0.32 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 3mh3 h ASN 257 CO -0.34 0.28 0.22 0.22 -1.65 0.00 0.00 177.43 176.16 3mh3 h TYR 258 N 0.40 0.42 0.34 1.19 3.20 -0.57 -0.30 116.97 121.65 3mh3 h TYR 258 Ca 0.11 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 3mh3 h TYR 258 Cb -0.02 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 3mh3 h TYR 258 CO -0.05 0.24 -0.21 0.82 -1.64 0.00 0.00 178.16 177.32 3mh3 h ILE 259 N 0.45 0.55 0.00 1.81 2.04 0.00 -2.75 117.51 119.62 3mh3 h ILE 259 Ca 0.15 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.97 3mh3 h ILE 259 Cb 0.01 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3mh3 h ILE 259 CO -0.08 0.00 -0.22 1.56 0.00 0.00 0.00 178.15 179.41 3mh3 h GLN 260 N -0.53 0.00 0.00 2.37 4.20 -1.00 -2.04 115.11 118.11 3mh3 h GLN 260 Ca -0.03 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3mh3 h GLN 260 Cb 0.44 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 3mh3 h GLN 260 CO 0.03 0.22 -0.09 1.03 -0.67 0.00 0.00 178.83 179.35 3mh3 h SER 261 N 0.00 0.00 -2.64 1.46 0.87 -0.78 -3.40 113.55 109.05 3mh3 h SER 261 Ca -0.00 0.00 -0.60 0.00 -1.23 0.00 0.00 61.79 59.96 3mh3 h SER 261 Cb 0.70 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 62.54 3mh3 h SER 261 CO 0.03 0.09 0.72 -0.22 -0.53 0.00 0.00 176.83 176.92 3mh3 s LEU 262 N -6.47 3.93 0.00 2.23 0.20 -0.77 -4.92 118.68 112.88 3mh3 s LEU 262 Ca 0.01 -0.71 0.00 0.00 0.69 0.00 0.00 54.13 54.11 3mh3 s LEU 262 Cb 0.10 -2.53 0.00 0.00 -0.43 0.00 0.00 46.19 43.32 3mh3 s LEU 262 CO 0.58 -1.55 0.00 0.35 -0.29 0.00 0.00 176.35 175.44 3mh3 n THR 263 N 6.12 0.00 -1.53 3.68 -2.24 -1.26 -4.38 114.28 114.68 3mh3 n THR 263 Ca -0.01 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.39 3mh3 n THR 263 Cb 0.47 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.62 3mh3 n THR 263 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3mh3 n GLN 264 N 0.00 0.62 -3.00 -0.78 7.27 -1.26 -4.90 117.38 115.33 3mh3 n GLN 264 Ca 0.00 0.01 -0.40 0.00 0.07 0.00 0.00 57.00 56.68 3mh3 n GLN 264 Cb 0.00 -2.63 -0.05 0.00 2.41 0.00 0.00 30.24 29.98 3mh3 n GLN 264 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 3mh3 s MET 265 N 8.50 4.46 0.38 3.69 -1.94 -1.26 -4.99 119.30 128.14 3mh3 s MET 265 Ca 1.14 0.99 -0.26 0.00 -1.71 0.00 0.00 55.69 55.85 3mh3 s MET 265 Cb -0.64 -3.41 -0.09 0.00 2.01 0.00 0.00 34.83 32.70 3mh3 s MET 265 CO 0.36 0.14 1.17 -1.25 -0.01 0.00 0.00 175.02 175.44 3mh3 s PRO 266 N 0.47 4.14 -0.14 2.03 0.04 -1.26 -2.79 135.00 137.49 3mh3 s PRO 266 Ca 0.39 1.86 -0.29 0.00 0.04 0.00 0.00 61.00 63.00 3mh3 s PRO 266 Cb -0.19 -2.76 -0.05 0.00 0.04 0.00 0.00 34.50 31.54 3mh3 s PRO 266 CO 0.21 -0.25 1.85 0.21 0.04 0.00 0.00 177.00 179.06 3mh3 s LYS 267 N -2.18 3.75 0.86 4.56 2.20 -1.26 -4.28 119.74 123.38 3mh3 s LYS 267 Ca 0.55 2.03 -0.11 0.00 -0.36 0.00 0.00 55.97 58.08 3mh3 s LYS 267 Cb -0.31 -4.15 0.11 0.00 -1.51 0.00 0.00 37.83 31.97 3mh3 s LYS 267 CO 0.40 -1.37 1.17 -1.64 -0.36 0.00 0.00 175.35 173.54 3mh3 s MET 268 N 4.98 1.37 -0.18 4.03 -1.94 -0.69 -4.93 119.30 121.93 3mh3 s MET 268 Ca 0.83 1.62 -0.29 0.00 -1.71 0.00 0.00 55.69 56.14 3mh3 s MET 268 Cb -0.32 -1.76 0.00 0.00 2.01 0.00 0.00 34.83 34.76 3mh3 s MET 268 CO 0.34 -2.39 1.01 -0.80 -0.01 0.00 0.00 175.02 173.17 3mh3 s ASN 269 N -2.49 7.14 0.23 3.03 0.01 -1.26 -4.91 114.94 116.69 3mh3 s ASN 269 Ca 0.69 1.41 -0.07 0.00 -0.71 0.00 0.00 52.86 54.19 3mh3 s ASN 269 Cb -0.25 -2.54 0.31 0.00 0.41 0.00 0.00 41.25 39.18 3mh3 s ASN 269 CO 0.54 -0.57 1.82 -0.26 -1.51 0.00 0.00 177.10 177.12 3mh3 h PHE 270 N 7.32 0.80 -1.04 2.20 0.05 -1.92 -1.39 116.94 122.96 3mh3 h PHE 270 Ca -0.24 0.03 0.30 0.00 3.82 0.00 0.00 57.97 61.87 3mh3 h PHE 270 Cb 1.10 -0.25 -0.05 0.00 2.00 0.00 0.00 35.95 38.75 3mh3 h PHE 270 CO 0.73 0.37 0.74 0.00 -0.18 0.00 0.00 178.31 179.98 3mh3 h ALA 271 N 1.39 2.89 0.18 2.45 0.00 -1.92 0.33 119.26 124.59 3mh3 h ALA 271 Ca 0.35 -0.03 -0.35 0.00 0.00 0.00 0.00 54.91 54.88 3mh3 h ALA 271 Cb 0.23 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.10 3mh3 h ALA 271 CO -0.20 -1.20 -1.78 -0.91 0.00 0.00 0.00 179.25 175.16 3mh3 h ASN 272 N 0.05 0.59 -0.73 0.00 2.35 -1.69 -2.21 115.58 113.94 3mh3 h ASN 272 Ca 0.51 -0.94 0.02 0.00 -0.55 0.00 0.00 56.30 55.33 3mh3 h ASN 272 Cb 1.92 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 40.06 3mh3 h ASN 272 CO -0.04 1.80 0.47 0.58 -1.65 0.00 0.00 177.43 178.59 3mh3 h VAL 273 N 0.09 1.16 -0.55 2.81 2.07 -0.39 -3.00 116.25 118.44 3mh3 h VAL 273 Ca -0.36 -0.33 -0.25 0.00 0.82 0.00 0.00 66.70 66.58 3mh3 h VAL 273 Cb 2.08 0.12 -0.15 0.00 -1.52 0.00 0.00 31.29 31.82 3mh3 h VAL 273 CO 0.16 0.17 0.16 0.49 0.02 0.00 0.00 177.57 178.58 3mh3 n PHE 274 N -4.60 1.74 -1.67 1.57 3.01 0.11 -5.01 117.46 112.60 3mh3 n PHE 274 Ca 0.07 -1.55 -0.51 0.00 1.01 0.00 0.00 57.45 56.47 3mh3 n PHE 274 Cb 0.04 -0.61 -0.06 0.00 -0.01 0.00 0.00 39.48 38.84 3mh3 n PHE 274 CO 0.00 0.00 0.00 1.51 1.01 0.00 0.00 176.76 179.28 3mh3 n ILE 275 N -0.96 0.26 0.00 4.37 0.00 -0.83 -0.08 119.36 122.12 3mh3 n ILE 275 Ca 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 62.75 63.10 3mh3 n ILE 275 Cb 1.23 -1.40 0.00 0.00 0.00 0.00 0.00 39.64 39.47 3mh3 n ILE 275 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3mh3 n GLY 276 N 3.72 0.78 3.82 4.50 0.00 -1.26 -5.05 105.19 111.70 3mh3 n GLY 276 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 3mh3 n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mh3 s ALA 277 N -2.16 2.82 -0.14 4.61 0.00 0.89 -4.95 121.76 122.84 3mh3 s ALA 277 Ca 0.00 0.25 -0.38 0.00 0.00 0.00 0.00 51.96 51.82 3mh3 s ALA 277 Cb 0.00 -3.19 -0.16 0.00 0.00 0.00 0.00 23.12 19.78 3mh3 s ALA 277 CO 0.00 -0.77 1.62 -1.71 0.00 0.00 0.00 175.76 174.90 3mh3 n ASN 278 N -2.22 2.23 0.04 0.00 2.85 -1.26 -4.79 115.26 112.11 3mh3 n ASN 278 Ca 0.08 1.08 0.20 0.00 -0.11 0.00 0.00 54.58 55.83 3mh3 n ASN 278 Cb 0.53 -1.18 0.73 0.00 1.24 0.00 0.00 39.78 41.10 3mh3 n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3mh3 h PRO 279 N 6.45 0.00 0.00 1.20 0.11 -1.95 0.75 132.00 138.56 3mh3 h PRO 279 Ca -0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 3mh3 h PRO 279 Cb 1.32 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 3mh3 h PRO 279 CO 0.90 0.00 -0.15 -0.07 -0.21 0.00 0.00 178.00 178.47 3mh3 h LEU 280 N 0.00 0.00 -0.02 2.35 3.38 -2.00 -2.08 115.31 116.94 3mh3 h LEU 280 Ca 0.23 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 3mh3 h LEU 280 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3mh3 h LEU 280 CO -0.00 0.15 -0.20 0.00 0.09 0.00 0.00 178.44 178.48 3mh3 h ALA 281 N 1.85 0.04 -0.63 1.53 0.00 -1.20 -2.54 119.26 118.31 3mh3 h ALA 281 Ca -0.00 -0.43 0.13 0.00 0.00 0.00 0.00 54.91 54.61 3mh3 h ALA 281 Cb 0.63 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.31 3mh3 h ALA 281 CO 0.02 0.04 -0.11 0.28 0.00 0.00 0.00 179.25 179.48 3mh3 h VAL 282 N -0.48 0.40 -0.03 0.00 2.07 -1.36 -0.25 116.25 116.60 3mh3 h VAL 282 Ca -0.02 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.50 3mh3 h VAL 282 Cb 0.91 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3mh3 h VAL 282 CO 0.04 0.01 -0.01 -0.78 0.02 0.00 0.00 177.57 176.84 3mh3 h ASP 283 N 0.03 -0.04 -0.07 0.57 3.58 -1.32 -1.48 116.42 117.68 3mh3 h ASP 283 Ca 0.31 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.80 3mh3 h ASP 283 Cb 0.49 0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.53 3mh3 h ASP 283 CO -0.62 -0.02 -0.13 0.25 -2.88 0.00 0.00 179.24 175.84 3mh3 h LEU 284 N -0.01 -0.41 -0.69 2.28 5.85 -1.19 -1.83 115.31 119.31 3mh3 h LEU 284 Ca 0.02 0.07 0.15 0.00 0.84 0.00 0.00 57.88 58.96 3mh3 h LEU 284 Cb 0.04 0.19 -0.12 0.00 0.37 0.00 0.00 40.66 41.13 3mh3 h LEU 284 CO -0.04 -0.18 -0.06 -0.07 -0.34 0.00 0.00 178.44 177.75 3mh3 h LEU 285 N -0.19 -0.43 -1.53 2.25 3.38 -0.88 -0.63 115.31 117.28 3mh3 h LEU 285 Ca 0.07 0.19 0.06 0.00 0.09 0.00 0.00 57.88 58.29 3mh3 h LEU 285 Cb 0.29 0.35 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 3mh3 h LEU 285 CO -0.18 -0.18 0.39 -0.33 0.09 0.00 0.00 178.44 178.23 3mh3 h GLU 286 N 0.07 0.56 0.00 1.13 5.08 -0.46 0.28 114.58 121.24 3mh3 h GLU 286 Ca 0.36 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3mh3 h GLU 286 Cb 0.60 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3mh3 h GLU 286 CO -0.64 0.37 -0.08 0.87 -1.00 0.00 0.00 179.01 178.53 3mh3 h LYS 287 N 0.58 0.00 0.03 2.33 1.57 -0.60 -3.35 116.57 117.12 3mh3 h LYS 287 Ca 0.25 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.79 3mh3 h LYS 287 Cb 0.26 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 3mh3 h LYS 287 CO -0.07 0.00 -1.32 0.52 -0.57 0.00 0.00 179.45 178.01 3mh3 h MET 288 N 0.00 0.06 -3.04 3.15 2.86 -0.32 -2.52 114.93 115.12 3mh3 h MET 288 Ca 0.00 -0.10 -0.76 0.00 -2.06 0.00 0.00 59.70 56.79 3mh3 h MET 288 Cb 0.82 0.04 -0.16 0.00 0.06 0.00 0.00 31.60 32.36 3mh3 h MET 288 CO 0.00 1.05 2.03 1.28 1.06 0.00 0.00 176.91 182.33 3mh3 n LEU 289 N -4.27 7.24 -4.42 1.22 4.77 -0.02 -4.18 117.00 117.35 3mh3 n LEU 289 Ca -0.31 -4.83 -0.34 0.00 -0.03 0.00 0.00 56.01 50.50 3mh3 n LEU 289 Cb 0.74 -1.40 -0.13 0.00 -2.33 0.00 0.00 43.42 40.30 3mh3 n LEU 289 CO 0.25 1.71 -0.37 -0.69 -1.33 0.00 0.00 177.39 176.96 3mh3 s VAL 290 N -0.73 3.67 0.23 4.08 1.01 -1.26 -4.89 120.40 122.51 3mh3 s VAL 290 Ca 0.45 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 61.88 3mh3 s VAL 290 Cb 0.13 -2.63 0.28 0.00 0.00 0.00 0.00 36.38 34.16 3mh3 s VAL 290 CO -0.03 0.46 1.60 -0.07 0.00 0.00 0.00 175.10 177.06 3mh3 h LEU 291 N 7.27 -0.75 -8.70 3.92 4.07 -1.95 -3.38 115.31 115.79 3mh3 h LEU 291 Ca -0.34 0.22 -0.56 0.00 0.08 0.00 0.00 57.88 57.28 3mh3 h LEU 291 Cb 1.18 0.47 -0.07 0.00 1.08 0.00 0.00 40.66 43.33 3mh3 h LEU 291 CO 0.61 -0.25 0.96 -0.62 -1.08 0.00 0.00 178.44 178.05 3mh3 s ASP 292 N -5.23 6.56 0.43 -0.43 2.15 -1.26 -4.87 116.67 114.02 3mh3 s ASP 292 Ca -0.14 0.43 0.30 0.00 0.43 0.00 0.00 52.55 53.57 3mh3 s ASP 292 Cb 0.21 -2.55 1.37 0.00 -0.30 0.00 0.00 42.92 41.64 3mh3 s ASP 292 CO 0.74 -1.33 1.90 0.77 -0.17 0.00 0.00 175.17 177.09 3mh3 h SER 293 N 9.47 0.00 0.22 -0.34 4.64 -1.98 -0.88 113.55 124.69 3mh3 h SER 293 Ca -0.24 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.05 3mh3 h SER 293 Cb 1.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3mh3 h SER 293 CO 1.14 0.00 -0.14 0.44 -0.87 0.00 0.00 176.83 177.40 3mh3 h ASP 294 N 0.00 0.00 -0.01 4.97 3.45 -1.93 -3.06 116.42 119.83 3mh3 h ASP 294 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3mh3 h ASP 294 Cb 0.30 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.07 3mh3 h ASP 294 CO 0.00 0.14 -0.29 0.29 -1.57 0.00 0.00 179.24 177.81 3mh3 n LYS 295 N -4.04 1.57 -2.09 3.56 4.76 -0.34 -4.93 118.16 116.65 3mh3 n LYS 295 Ca -0.02 -1.02 -0.42 0.00 -2.87 0.00 0.00 58.31 53.97 3mh3 n LYS 295 Cb 0.22 -1.33 -0.03 0.00 -1.84 0.00 0.00 35.03 32.05 3mh3 n LYS 295 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3mh3 s ARG 296 N -1.95 4.27 0.24 1.97 0.52 -1.16 -4.98 118.95 117.87 3mh3 s ARG 296 Ca 0.16 2.15 -0.29 0.00 -0.52 0.00 0.00 55.73 57.23 3mh3 s ARG 296 Cb 0.15 -3.36 -0.15 0.00 0.52 0.00 0.00 34.95 32.10 3mh3 s ARG 296 CO 0.40 -0.55 0.94 1.51 0.02 0.00 0.00 175.30 177.62 3mh3 n ILE 297 N 4.25 1.75 -2.53 1.52 3.06 -0.95 -5.01 119.36 121.44 3mh3 n ILE 297 Ca 0.13 -0.44 -0.23 0.00 -2.50 0.00 0.00 62.75 59.72 3mh3 n ILE 297 Cb 0.42 -0.74 0.07 0.00 0.54 0.00 0.00 39.64 39.92 3mh3 n ILE 297 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3mh3 s THR 298 N -0.86 2.43 0.09 9.51 -4.23 -1.26 -4.89 115.64 116.43 3mh3 s THR 298 Ca 0.63 -0.56 -0.26 0.00 -1.18 0.00 0.00 61.69 60.32 3mh3 s THR 298 Cb -0.79 -2.87 -0.15 0.00 1.34 0.00 0.00 72.50 70.03 3mh3 s THR 298 CO 0.58 0.00 1.70 0.00 -0.54 0.00 0.00 174.62 176.35 3mh3 h ALA 299 N -0.25 -0.30 -0.22 3.99 0.00 -1.93 -1.25 119.26 119.30 3mh3 h ALA 299 Ca -0.41 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.47 3mh3 h ALA 299 Cb 1.29 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 3mh3 h ALA 299 CO 0.50 -0.67 0.05 0.00 0.00 0.00 0.00 179.25 179.12 3mh3 h ALA 300 N 0.49 0.22 -0.53 0.00 0.00 -1.95 -1.56 119.26 115.93 3mh3 h ALA 300 Ca -0.02 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.03 3mh3 h ALA 300 Cb 0.25 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.00 3mh3 h ALA 300 CO 0.02 -0.38 0.01 1.96 0.00 0.00 0.00 179.25 180.86 3mh3 h GLN 301 N 0.13 0.12 -0.58 0.00 4.20 -1.93 -2.92 115.11 114.14 3mh3 h GLN 301 Ca 0.10 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.74 3mh3 h GLN 301 Cb 0.09 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 3mh3 h GLN 301 CO -0.13 0.08 0.11 0.00 -0.67 0.00 0.00 178.83 178.23 3mh3 h ALA 302 N 1.47 1.11 -0.70 3.87 0.00 -0.56 -1.10 119.26 123.36 3mh3 h ALA 302 Ca 0.27 -0.23 0.14 0.00 0.00 0.00 0.00 54.91 55.09 3mh3 h ALA 302 Cb 0.41 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3mh3 h ALA 302 CO -0.44 0.59 0.47 -0.07 0.00 0.00 0.00 179.25 179.80 3mh3 h LEU 303 N 0.87 0.32 -0.35 0.00 3.38 -1.11 -1.02 115.31 117.41 3mh3 h LEU 303 Ca 0.18 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3mh3 h LEU 303 Cb 0.35 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3mh3 h LEU 303 CO 0.00 0.17 -0.15 0.00 0.09 0.00 0.00 178.44 178.56 3mh3 n ALA 304 N -2.54 2.85 -1.77 1.53 0.00 -0.43 -4.68 120.51 115.46 3mh3 n ALA 304 Ca 0.13 -0.32 -0.40 0.00 0.00 0.00 0.00 53.44 52.85 3mh3 n ALA 304 Cb 0.52 -1.26 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 3mh3 n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3mh3 s HIS 305 N -2.45 2.83 -0.74 0.00 5.04 -0.39 -4.86 115.29 114.72 3mh3 s HIS 305 Ca 0.28 1.36 0.09 0.00 -1.54 0.00 0.00 55.06 55.25 3mh3 s HIS 305 Cb 0.20 -3.75 0.46 0.00 0.04 0.00 0.00 32.58 29.53 3mh3 s HIS 305 CO 0.48 -2.23 1.28 0.00 -2.34 0.00 0.00 174.74 171.93 3mh3 n ALA 306 N 0.39 1.12 0.22 1.58 0.00 -1.26 -1.78 120.51 120.77 3mh3 n ALA 306 Ca 0.02 0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.59 3mh3 n ALA 306 Cb 0.42 -1.14 0.51 0.00 0.00 0.00 0.00 19.45 19.24 3mh3 n ALA 306 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3mh3 h TYR 307 N 0.00 0.00 -0.62 0.00 3.20 -1.89 -1.67 116.97 115.99 3mh3 h TYR 307 Ca 0.00 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 3mh3 h TYR 307 Cb 0.05 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.27 3mh3 h TYR 307 CO 0.00 0.25 0.10 1.19 -1.64 0.00 0.00 178.16 178.06 3mh3 n PHE 308 N -3.83 2.18 -0.12 -3.82 3.01 -0.74 -4.68 117.46 109.47 3mh3 n PHE 308 Ca -0.02 -0.87 0.16 0.00 1.01 0.00 0.00 57.45 57.73 3mh3 n PHE 308 Cb 0.34 -0.57 0.54 0.00 -0.01 0.00 0.00 39.48 39.78 3mh3 n PHE 308 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3mh3 h ALA 309 N 3.52 2.16 0.00 4.37 0.00 -1.45 0.64 119.26 128.51 3mh3 h ALA 309 Ca 0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3mh3 h ALA 309 Cb 2.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.82 3mh3 h ALA 309 CO 0.57 -0.34 -0.18 1.96 0.00 0.00 0.00 179.25 181.26 3mh3 h GLN 310 N 0.34 0.00 0.00 0.00 1.08 -1.84 -3.34 115.11 111.35 3mh3 h GLN 310 Ca 0.33 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.45 3mh3 h GLN 310 Cb 0.82 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.23 3mh3 h GLN 310 CO -0.09 0.18 -1.39 0.66 -0.95 0.00 0.00 178.83 177.24 3mh3 n TYR 311 N -3.37 0.00 -1.89 2.96 4.02 0.19 -5.03 117.16 114.05 3mh3 n TYR 311 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.48 3mh3 n TYR 311 Cb 0.40 -0.27 -0.02 0.00 -0.02 0.00 0.00 39.34 39.43 3mh3 n TYR 311 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3mh3 s HIS 312 N -2.23 2.84 -0.25 -0.72 2.46 0.73 -5.00 115.29 113.12 3mh3 s HIS 312 Ca -0.03 0.98 -0.02 0.00 0.47 0.00 0.00 55.06 56.47 3mh3 s HIS 312 Cb 0.02 -3.94 0.14 0.00 -0.13 0.00 0.00 32.58 28.67 3mh3 s HIS 312 CO 0.26 -3.03 0.36 0.34 -2.47 0.00 0.00 174.74 170.20 3mh3 s ASP 313 N 0.26 0.55 0.00 9.88 -1.08 -1.26 -4.99 116.67 120.04 3mh3 s ASP 313 Ca 0.59 -0.06 0.04 0.00 -0.52 0.00 0.00 52.55 52.60 3mh3 s ASP 313 Cb -0.45 0.97 0.19 0.00 -1.46 0.00 0.00 42.92 42.17 3mh3 s ASP 313 CO 0.49 -0.32 1.11 -0.81 0.52 0.00 0.00 175.17 176.16 3mh3 n PRO 314 N 5.35 0.01 0.00 4.34 -0.05 -1.26 -1.49 135.00 141.90 3mh3 n PRO 314 Ca -0.03 0.40 0.12 0.00 -0.05 0.00 0.00 63.50 63.94 3mh3 n PRO 314 Cb 0.49 -1.50 0.07 0.00 -0.05 0.00 0.00 33.50 32.52 3mh3 n PRO 314 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 3mh3 n ASP 315 N -1.47 2.49 -2.10 3.54 10.43 -1.26 -4.14 116.55 124.04 3mh3 n ASP 315 Ca 0.01 -1.75 -0.06 0.00 2.57 0.00 0.00 54.79 55.56 3mh3 n ASP 315 Cb 0.05 0.21 0.06 0.00 1.84 0.00 0.00 41.12 43.28 3mh3 n ASP 315 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3mh3 n ASP 316 N 0.67 2.54 -3.43 -2.24 2.03 -0.56 -4.90 116.55 110.66 3mh3 n ASP 316 Ca 0.12 -2.78 -0.26 0.00 0.52 0.00 0.00 54.79 52.39 3mh3 n ASP 316 Cb 0.53 -0.41 -0.09 0.00 -0.72 0.00 0.00 41.12 40.43 3mh3 n ASP 316 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3mh3 n GLU 317 N -0.52 1.66 -1.61 -0.67 1.02 -1.22 -4.91 120.64 114.39 3mh3 n GLU 317 Ca 0.20 -4.08 -0.30 0.00 -0.02 0.00 0.00 57.16 52.97 3mh3 n GLU 317 Cb 0.90 -1.90 0.09 0.00 -0.02 0.00 0.00 31.44 30.50 3mh3 n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3mh3 s PRO 318 N -1.68 2.01 0.38 3.49 0.04 -1.26 -4.97 135.00 133.01 3mh3 s PRO 318 Ca 0.35 0.53 0.08 0.00 0.04 0.00 0.00 61.00 62.00 3mh3 s PRO 318 Cb 0.11 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 3mh3 s PRO 318 CO -0.08 -1.65 0.24 0.14 0.04 0.00 0.00 177.00 175.69 3mh3 s VAL 319 N -3.23 2.76 0.21 -0.36 -7.23 -1.26 -4.15 120.40 107.14 3mh3 s VAL 319 Ca 0.61 -1.56 -0.04 0.00 -1.81 0.00 0.00 61.98 59.18 3mh3 s VAL 319 Cb -0.14 -3.01 -0.05 0.00 0.56 0.00 0.00 36.38 33.74 3mh3 s VAL 319 CO 0.53 -0.07 0.44 0.00 -0.31 0.00 0.00 175.10 175.69 3mh3 s ALA 320 N -2.48 3.74 0.48 1.32 0.00 -1.26 -5.02 121.76 118.54 3mh3 s ALA 320 Ca 0.42 -0.61 -0.23 0.00 0.00 0.00 0.00 51.96 51.55 3mh3 s ALA 320 Cb -0.01 -2.17 -0.08 0.00 0.00 0.00 0.00 23.12 20.86 3mh3 s ALA 320 CO 0.25 0.48 1.12 -0.25 0.00 0.00 0.00 175.76 177.35 3mh3 n ASP 321 N -0.41 1.70 -4.77 0.00 8.00 -1.26 -4.66 116.55 115.16 3mh3 n ASP 321 Ca -0.03 0.99 -0.41 0.00 0.71 0.00 0.00 54.79 56.06 3mh3 n ASP 321 Cb 0.53 -1.43 -0.01 0.00 -0.02 0.00 0.00 41.12 40.18 3mh3 n ASP 321 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3mh3 s PRO 322 N -2.37 4.21 -0.20 -0.24 0.04 -1.26 -4.64 135.00 130.54 3mh3 s PRO 322 Ca 0.67 2.42 -0.03 0.00 0.04 0.00 0.00 61.00 64.09 3mh3 s PRO 322 Cb -0.49 -3.03 -0.01 0.00 0.04 0.00 0.00 34.50 31.02 3mh3 s PRO 322 CO 0.54 -0.41 -0.06 -0.47 0.04 0.00 0.00 177.00 176.64 3mh3 s TYR 323 N -0.88 2.94 -0.61 0.56 5.04 -1.25 -5.05 117.35 118.08 3mh3 s TYR 323 Ca 0.53 -0.89 -0.26 0.00 -2.44 0.00 0.00 57.07 54.01 3mh3 s TYR 323 Cb -0.44 -2.05 0.04 0.00 0.35 0.00 0.00 41.96 39.86 3mh3 s TYR 323 CO 0.56 -0.48 1.12 0.34 -1.34 0.00 0.00 175.55 175.74 3mh3 s ASP 324 N 1.26 6.33 -0.35 4.32 3.68 -1.26 -4.85 116.67 125.79 3mh3 s ASP 324 Ca 0.03 -0.25 0.06 0.00 2.13 0.00 0.00 52.55 54.53 3mh3 s ASP 324 Cb -0.14 -2.51 0.48 0.00 -1.45 0.00 0.00 42.92 39.29 3mh3 s ASP 324 CO -0.02 -1.48 1.45 0.00 0.13 0.00 0.00 175.17 175.24 3mh3 n GLN 325 N 8.30 2.60 0.25 4.34 10.64 -1.26 -4.66 117.38 137.59 3mh3 n GLN 325 Ca 0.04 -3.57 0.12 0.00 -1.83 0.00 0.00 57.00 51.76 3mh3 n GLN 325 Cb 0.48 -2.05 0.64 0.00 -0.86 0.00 0.00 30.24 28.45 3mh3 n GLN 325 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3mh3 h SER 326 N 1.59 0.00 -0.03 2.61 4.64 -2.01 -2.60 113.55 117.75 3mh3 h SER 326 Ca 0.33 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.66 3mh3 h SER 326 Cb 1.44 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.53 3mh3 h SER 326 CO 0.70 0.15 0.04 2.19 -0.87 0.00 0.00 176.83 179.04 3mh3 h PHE 327 N 0.00 0.00 0.00 4.77 -5.15 -1.98 0.22 116.94 114.80 3mh3 h PHE 327 Ca -0.00 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.74 3mh3 h PHE 327 Cb 0.50 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.66 3mh3 h PHE 327 CO 0.00 0.00 -0.14 0.93 -2.00 0.00 0.00 178.31 177.10 3mh3 h GLU 328 N 0.00 0.00 -0.93 6.09 4.39 -1.84 -2.33 114.58 119.95 3mh3 h GLU 328 Ca 0.01 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.57 3mh3 h GLU 328 Cb 0.10 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.66 3mh3 h GLU 328 CO -0.00 0.14 0.19 0.45 -1.16 0.00 0.00 179.01 178.62 3mh3 n SER 329 N -3.69 3.27 -4.05 1.42 2.88 0.76 -4.89 113.62 109.32 3mh3 n SER 329 Ca -0.02 -2.61 -0.21 0.00 -1.33 0.00 0.00 58.87 54.70 3mh3 n SER 329 Cb 0.25 -0.63 -0.15 0.00 -0.75 0.00 0.00 64.21 62.93 3mh3 n SER 329 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3mh3 s ARG 330 N -1.60 1.02 -0.41 -1.46 3.00 -0.88 -5.10 118.95 113.52 3mh3 s ARG 330 Ca 0.25 -0.39 -0.07 0.00 0.00 0.00 0.00 55.73 55.52 3mh3 s ARG 330 Cb 0.21 -0.96 0.09 0.00 0.00 0.00 0.00 34.95 34.28 3mh3 s ARG 330 CO 0.06 0.20 0.23 -0.51 0.00 0.00 0.00 175.30 175.28 3mh3 s ASP 331 N -0.07 5.50 0.42 0.23 1.01 -1.26 -5.07 116.67 117.44 3mh3 s ASP 331 Ca 0.01 -1.62 0.06 0.00 0.71 0.00 0.00 52.55 51.72 3mh3 s ASP 331 Cb -0.07 -1.93 -0.07 0.00 1.01 0.00 0.00 42.92 41.86 3mh3 s ASP 331 CO 0.00 -0.53 0.02 -0.76 0.21 0.00 0.00 175.17 174.12 3mh3 s LEU 332 N 1.35 2.84 0.51 1.23 1.43 -1.26 -5.13 118.68 119.65 3mh3 s LEU 332 Ca 0.03 -1.38 -0.16 0.00 -1.03 0.00 0.00 54.13 51.60 3mh3 s LEU 332 Cb -0.23 -0.92 -0.08 0.00 0.03 0.00 0.00 46.19 44.99 3mh3 s LEU 332 CO 0.00 -0.50 0.97 -0.76 0.23 0.00 0.00 176.35 176.29 3mh3 s LEU 333 N -3.74 3.63 0.18 1.79 1.43 -1.26 -4.88 118.68 115.82 3mh3 s LEU 333 Ca 0.32 1.52 -0.14 0.00 -1.03 0.00 0.00 54.13 54.80 3mh3 s LEU 333 Cb 0.09 -4.46 0.16 0.00 0.03 0.00 0.00 46.19 42.01 3mh3 s LEU 333 CO 0.17 -0.58 1.69 0.40 0.23 0.00 0.00 176.35 178.26 3mh3 h ILE 334 N 0.89 0.64 0.00 -0.59 2.04 -1.94 -0.06 117.51 118.49 3mh3 h ILE 334 Ca -0.47 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 3mh3 h ILE 334 Cb 1.18 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3mh3 h ILE 334 CO 0.62 0.02 -0.10 0.44 0.00 0.00 0.00 178.15 179.12 3mh3 h ASP 335 N 0.11 0.00 0.01 1.72 5.19 -1.97 0.16 116.42 121.64 3mh3 h ASP 335 Ca 0.23 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.64 3mh3 h ASP 335 Cb 0.35 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.86 3mh3 h ASP 335 CO -0.39 0.10 -0.00 -0.33 -3.12 0.00 0.00 179.24 175.50 3mh3 h GLU 336 N 0.00 -0.01 -0.24 3.56 5.08 -1.44 -0.53 114.58 121.01 3mh3 h GLU 336 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mh3 h GLU 336 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3mh3 h GLU 336 CO 0.01 0.45 0.16 -1.49 -1.00 0.00 0.00 179.01 177.14 3mh3 h TRP 337 N -0.47 0.30 -0.22 4.33 4.06 -0.87 -0.56 115.95 122.52 3mh3 h TRP 337 Ca -0.00 0.01 -0.15 0.00 2.06 0.00 0.00 58.89 60.80 3mh3 h TRP 337 Cb 0.47 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 28.53 3mh3 h TRP 337 CO 0.09 0.19 -0.47 -0.22 -3.56 0.00 0.00 178.44 174.47 3mh3 h LYS 338 N 0.32 0.70 -0.18 0.49 3.64 -0.57 -1.45 116.57 119.52 3mh3 h LYS 338 Ca 0.09 -0.46 -0.17 0.00 -1.27 0.00 0.00 60.65 58.84 3mh3 h LYS 338 Cb -0.04 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3mh3 h LYS 338 CO -0.02 1.08 -0.59 1.03 -2.27 0.00 0.00 179.45 178.68 3mh3 h SER 339 N 0.41 0.65 -0.71 4.20 0.87 -0.43 0.21 113.55 118.74 3mh3 h SER 339 Ca 0.00 -0.36 0.05 0.00 -1.23 0.00 0.00 61.79 60.25 3mh3 h SER 339 Cb 1.07 -0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 62.80 3mh3 h SER 339 CO 0.10 1.09 0.42 -0.07 -0.53 0.00 0.00 176.83 177.84 3mh3 h LEU 340 N 0.43 0.66 -0.28 2.23 4.07 -1.02 -0.11 115.31 121.29 3mh3 h LEU 340 Ca -0.00 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.93 3mh3 h LEU 340 Cb 1.15 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.76 3mh3 h LEU 340 CO 0.11 0.43 -0.00 0.74 -1.08 0.00 0.00 178.44 178.64 3mh3 h THR 341 N 0.79 1.26 -0.48 0.22 2.02 -0.92 -1.39 112.91 114.41 3mh3 h THR 341 Ca 0.30 -0.93 0.09 0.00 0.77 0.00 0.00 66.41 66.64 3mh3 h THR 341 Cb 0.12 1.32 -0.08 0.00 -1.74 0.00 0.00 68.15 67.78 3mh3 h THR 341 CO -0.15 0.30 0.02 0.22 0.37 0.00 0.00 175.52 176.28 3mh3 h TYR 342 N 0.28 0.02 -0.96 3.16 3.20 -0.79 -0.69 116.97 121.18 3mh3 h TYR 342 Ca 0.08 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.10 3mh3 h TYR 342 Cb 0.43 0.07 -0.08 0.00 1.54 0.00 0.00 36.73 38.68 3mh3 h TYR 342 CO 0.04 -0.08 0.58 -0.44 -1.64 0.00 0.00 178.16 176.62 3mh3 h ASP 343 N 0.14 0.84 0.16 -2.11 3.45 -0.56 -2.37 116.42 115.98 3mh3 h ASP 343 Ca 0.24 0.05 -0.11 0.00 0.43 0.00 0.00 57.03 57.64 3mh3 h ASP 343 Cb 0.35 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 38.99 3mh3 h ASP 343 CO -0.38 0.44 -0.41 -0.33 -1.57 0.00 0.00 179.24 177.00 3mh3 h GLU 344 N 0.92 0.32 0.06 3.56 4.39 -0.07 -1.65 114.58 122.12 3mh3 h GLU 344 Ca 0.48 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 60.02 3mh3 h GLU 344 Cb 0.49 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 3mh3 h GLU 344 CO -0.27 0.68 -0.03 0.28 -1.16 0.00 0.00 179.01 178.51 3mh3 h VAL 345 N 0.27 1.11 -0.65 3.13 2.07 -0.89 -2.77 116.25 118.52 3mh3 h VAL 345 Ca 0.02 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 3mh3 h VAL 345 Cb 0.84 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 3mh3 h VAL 345 CO 0.07 0.14 0.33 0.40 0.02 0.00 0.00 177.57 178.53 3mh3 h ILE 346 N -0.34 1.22 -0.00 4.57 5.03 -1.27 -1.38 117.51 125.34 3mh3 h ILE 346 Ca -0.01 -0.59 0.00 0.00 -0.12 0.00 0.00 64.86 64.14 3mh3 h ILE 346 Cb 0.30 0.40 0.00 0.00 -3.03 0.00 0.00 36.82 34.49 3mh3 h ILE 346 CO 0.01 0.25 -0.00 -1.54 -0.68 0.00 0.00 178.15 176.19 3mh3 n SER 347 N -4.50 0.12 -4.68 1.72 3.41 -0.63 -4.90 113.62 104.16 3mh3 n SER 347 Ca 0.05 -0.95 -0.45 0.00 -0.26 0.00 0.00 58.87 57.25 3mh3 n SER 347 Cb 0.11 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.00 3mh3 n SER 347 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3mh3 n PHE 348 N -0.94 2.39 -3.85 7.33 7.35 -0.52 -4.98 117.46 124.24 3mh3 n PHE 348 Ca 0.23 0.14 -0.36 0.00 -0.76 0.00 0.00 57.45 56.70 3mh3 n PHE 348 Cb 0.14 -2.60 -0.13 0.00 0.35 0.00 0.00 39.48 37.24 3mh3 n PHE 348 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3mh3 s VAL 349 N 1.65 3.38 0.89 -2.13 1.01 -1.26 -5.08 120.40 118.86 3mh3 s VAL 349 Ca 0.81 -1.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.67 3mh3 s VAL 349 Cb -0.63 -2.81 0.13 0.00 0.00 0.00 0.00 36.38 33.07 3mh3 s VAL 349 CO 0.39 0.03 1.14 -2.16 0.00 0.00 0.00 175.10 174.50 3mh3 s PRO 350 N 1.37 1.22 0.59 2.72 0.04 -1.26 -4.98 135.00 134.71 3mh3 s PRO 350 Ca -0.01 1.49 -0.20 0.00 0.04 0.00 0.00 61.00 62.32 3mh3 s PRO 350 Cb -0.18 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 3mh3 s PRO 350 CO -0.00 -2.47 1.30 -1.25 0.04 0.00 0.00 177.00 174.62 3mh3 s PRO 351 N -4.69 2.90 0.00 0.56 0.04 -1.26 -5.15 135.00 127.39 3mh3 s PRO 351 Ca 0.66 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.78 3mh3 s PRO 351 Cb -0.22 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.28 3mh3 s PRO 351 CO 0.58 -1.33 0.00 -2.30 0.04 0.00 0.00 177.00 173.99